| 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 | 48.9 | Very low | 57.2 | Low | 217 Ų | 217 | 143.4 Ų | 143.4 | 100% | 1.069 | 75% | 0.746 | S | S | * | * | 0 | 108.9 | 0 | -64.8 | -58.1 | -142.2 | 0 | 0 | 107.8 | Y3 | M1-Y3 PolarHBondContact O-N 3.49Š| |||
| 2 | P | 59.9 | Low | 57.2 | Low | 122 Ų | 122 | 143.3 Ų | 143.3 | 79% | 0.792 | 75% | 0.748 | S | S | * | * | trans | -71 | 126 | 170.1 | 29.1 | -29.3 | 0 | 0 | 0 | 108.6 | L4 | P2-L4 PolarHBondContact O-N 3.31Š| ||
| 3 | Y | 56.9 | Low | 57.2 | Low | 209 Ų | 209 | 143.6 Ų | 143.6 | 82% | 0.82 | 74% | 0.743 | S | S | * | * | trans | -70.1 | 106.8 | 173 | -70.6 | -88.9 | 0 | 0 | 0 | 108.3 | M1 M5 | M1-Y3 PolarHBondContact O-N 3.49Å; Y3-M5 PolarHBondContact O-N 3.19Å | ||
| 4 | L | 57.8 | Low | 57.6 | Low | 149 Ų | 149 | 137.9 Ų | 137.9 | 78% | 0.78 | 72% | 0.721 | S | S | * | * | trans | -66.5 | 115.6 | 160.9 | -106.5 | 94.1 | 0 | 0 | 0 | 106.9 | P2 | P2-L4 PolarHBondContact O-N 3.31Š| ||
| 5 | M | 61.2 | Low | 57.9 | Low | 140 Ų | 140 | 131.2 Ų | 131.2 | 69% | 0.69 | 69% | 0.689 | S | S | * | * | trans | -85.9 | 106.2 | 164.3 | -71.3 | -83.3 | 159 | 0 | 0 | 106.1 | Y3 E7 | Y3-M5 PolarHBondContact O-N 3.19Å; M5-E7 PolarHBondContact O-N 3.07Å | ||
| 6 | D | 58.1 | Low | 58.4 | Low | 129 Ų | 129 | 131 Ų | 131 | 69% | 0.69 | 68% | 0.683 | S | S | * | * | trans | -71.9 | 95.5 | 166.1 | -68.7 | -31.4 | 0 | 0 | 0 | 107.3 | E8 | D6-E8 HydrophobicContact CB-CG 4.49Å; D6-E8 PolarHBondContact O-N 2.98Å | ||
| 7 | E | 60.5 | Low | 58.5 | Low | 173 Ų | 173 | 127.1 Ų | 127.1 | 81% | 0.808 | 67% | 0.668 | S | S | * | * | trans | -75.5 | 70.3 | 168.2 | -96.5 | -175.7 | 158 | 0 | 0 | 109.3 | M5 V9 | M5-E7 PolarHBondContact O-N 3.07Å; E7-V9 HydrophobicContact CB-CG2 4.26Å; E7-V9 HydrophobicContact CG-CG2 4.46Å; E7-V9 PolarHBondContact O-N 2.93Å | ||
| 8 | E | 57.3 | Low | 59.1 | Low | 180 Ų | 180 | 129.6 Ų | 129.6 | 84% | 0.841 | 68% | 0.676 | S | S | * | * | trans | -73.2 | 73.7 | 161.8 | -65.8 | -91.1 | 163.1 | 0 | 0 | 107.4 | D6 S10 | D6-E8 HydrophobicContact CB-CG 4.49Å; D6-E8 PolarHBondContact O-N 2.98Å; E8-S10 VanDerWaalsContact C-N 3.35Å; E8-S10 PolarHBondContact O-N 3.08Å | ||
| 9 | V | 55.4 | Low | 59.5 | Low | 95 Ų | 95 | 124.6 Ų | 124.6 | 58% | 0.576 | 65% | 0.65 | S | S | * | * | trans | -74.2 | 95.1 | 169.7 | -170.7 | 0 | 0 | 0 | 0 | 106.6 | E7 S11 L66 | E7-V9 HydrophobicContact CB-CG2 4.26Å; E7-V9 HydrophobicContact CG-CG2 4.46Å; E7-V9 PolarHBondContact O-N 2.93Å; V9-S11 PolarHBondContact O-N 3.05Å; V9-S11 VanDerWaalsContact O-N 3.08Å; V9-L66 HydrophobicContact CG1-CD2 3.67Å | ||
| 10 | S | 56.1 | Low | 59.6 | Low | 66 Ų | 66 | 120.4 Ų | 120.4 | 46% | 0.462 | 63% | 0.63 | S | S | . | * | trans | -50.7 | 114.3 | 176.6 | -179 | 0 | 0 | 0 | 0 | 110.4 | E8 D12 | E8-S10 VanDerWaalsContact C-N 3.35Å; E8-S10 PolarHBondContact O-N 3.08Å; S10-D12 PolarHBondContact O-N 2.88Å | ||
| 11 | S | 57 | Low | 60 | Low | 97 Ų | 97 | 120.7 Ų | 120.7 | 68% | 0.678 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -71.3 | -9.1 | 177.3 | 50.8 | 0 | 0 | 0 | 0 | 113.5 | V9 E13 | V9-S11 PolarHBondContact O-N 3.05Å; V9-S11 VanDerWaalsContact O-N 3.08Å; S11-E13 VanDerWaalsContact C-N 3.32Å; S11-E13 PolarHBondContact O-N 3.34Å |
| 12 | D | 57.6 | Low | 60.8 | Low | 143 Ų | 143 | 114.2 Ų | 114.2 | 77% | 0.765 | 60% | 0.597 | S | S | * | * | G | 310 helix | trans | -86.7 | -2.5 | -167.1 | -64.6 | -12.9 | 0 | 0 | 0 | 113.4 | S10 | S10-D12 PolarHBondContact O-N 2.88Š|
| 13 | E | 57.5 | Low | 61.3 | Low | 147 Ų | 147 | 111.3 Ų | 111.3 | 69% | 0.687 | 58% | 0.575 | S | S | * | * | G | 310 helix | trans | -121.2 | 18.5 | 179.1 | -101.5 | 175 | 144.3 | 0 | 0 | 113.8 | S11 V15 L66 | S11-E13 VanDerWaalsContact C-N 3.32Å; S11-E13 PolarHBondContact O-N 3.34Å; E13-V15 PolarHBondContact O-N 3.28Å; E13-L66 HydrophobicContact CB-CD1 3.93Å; E13-L66 VanDerWaalsContact O-CD1 3.31Å; E13-L66 WeakPolarHBondContact O-CD1 3.47Å |
| 14 | S | 61.9 | Low | 61.6 | Low | 63 Ų | 63 | 109.1 Ų | 109.1 | 44% | 0.441 | 57% | 0.566 | S | S | . | * | trans | -77.4 | 115.3 | 177.8 | -170.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 15 | V | 63.2 | Low | 62 | Low | 38 Ų | 38 | 109.9 Ų | 109.9 | 23% | 0.23 | 56% | 0.563 | C | S | . | * | B | Isolated β-bridge | trans | -87.7 | 131.1 | 172.3 | -175.6 | 0 | 0 | 0 | 0 | 109.4 | E13 D19 V20 | E13-V15 PolarHBondContact O-N 3.28Å; V15-D19 HydrophobicContact CG1-CB 4.04Å; V15-V20 HydrophobicContact CG1-CG2 3.6Å |
| 16 | E | 65.5 | Low | 61.8 | Low | 128 Ų | 128 | 107.1 Ų | 107.1 | 60% | 0.598 | 55% | 0.551 | S | S | * | * | trans | -76 | 147.4 | 174.6 | -64.5 | -172.8 | 177.7 | 0 | 0 | 110.7 | E18 D19 | E16-E18 PolarHBondContact O-N 3.45Å; E16-E18 VanDerWaalsContact O-N 3.08Å; E16-D19 PolarHBondContact O-N 3.39Å | ||
| 17 | C | 60.5 | Low | 61.8 | Low | 64 Ų | 64 | 104.9 Ų | 104.9 | 43% | 0.432 | 54% | 0.539 | S | S | . | . | G | 310 helix | trans | -56.8 | -27.7 | 179.5 | -57 | 0 | 0 | 0 | 0 | 113.4 | D19 L63 Y65 | C17-D19 VanDerWaalsContact C-N 3.32Å; C17-L63 PolarHBondContact SG-O 3.35Å; C17-Y65 HydrophobicContact CB-CD2 4.29Å; C17-Y65 HydrophobicContact CB-CE2 3.73Å; C17-Y65 WeakPolarHBondContact SG-CE2 3.5Å |
| 18 | E | 69.3 | Low | 61.4 | Low | 173 Ų | 173 | 100.9 Ų | 100.9 | 81% | 0.808 | 53% | 0.53 | S | S | * | . | G | 310 helix | trans | -78.6 | -17.2 | -179 | -61.2 | -176 | -177.3 | 0 | 0 | 112.8 | E16 | E16-E18 PolarHBondContact O-N 3.45Å; E16-E18 VanDerWaalsContact O-N 3.08Å |
| 19 | D | 65.3 | Low | 61.2 | Low | 35 Ų | 35 | 100.1 Ų | 100.1 | 19% | 0.187 | 52% | 0.524 | C | S | . | . | G | 310 helix | trans | -89.9 | -6 | 179.5 | -68.1 | -27.9 | 0 | 0 | 0 | 113 | V15 E16 C17 S45 | V15-D19 HydrophobicContact CG1-CB 4.04Å; E16-D19 PolarHBondContact O-N 3.39Å; C17-D19 VanDerWaalsContact C-N 3.32Å; D19-S45 WeakPolarHBondContact OD1-CB 3.27Å; D19-S45 PolarHBondContact OD2-OG 2.91Å |
| 20 | V | 63.1 | Low | 61 | Low | 39 Ų | 39 | 98.4 Ų | 98.4 | 24% | 0.236 | 52% | 0.516 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 105.2 | 179.8 | -178 | 0 | 0 | 0 | 0 | 109.6 | V15 I22 V40 Y65 | V15-V20 HydrophobicContact CG1-CG2 3.6Å; V20-I22 HydrophobicContact CG1-CG1 4.32Å; V20-V40 HydrophobicContact CG1-CG1 4.04Å; V20-Y65 HydrophobicContact CG2-CD2 4.42Å |
| 21 | E | 66.3 | Low | 60.7 | Low | 128 Ų | 128 | 98.7 Ų | 98.7 | 60% | 0.598 | 52% | 0.515 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 116.4 | 170.8 | -166.7 | 166.1 | 174.5 | 0 | 0 | 109.8 | K43 | E21-K43 IonicContact OE2-NZ 3.99Å |
| 22 | I | 66.2 | Low | 60.2 | Low | 80 Ų | 80 | 101 Ų | 101 | 41% | 0.41 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 108.5 | 174.9 | -58 | 175.1 | 0 | 0 | 0 | 108.2 | V20 Y24 | V20-I22 HydrophobicContact CG1-CG1 4.32Å; I22-Y24 HydrophobicContact CB-CE2 4.15Å; I22-Y24 HydrophobicContact CG2-CD1 4.22Å; I22-Y24 HydrophobicContact CG2-CE1 3.97Å; I22-Y24 HydrophobicContact CG2-CE2 4.27Å; I22-Y24 HydrophobicContact CG2-CG 4.49Å; I22-Y24 WeakPolarHBondContact O-CD2 3.44Å; I22-Y24 WeakPolarHBondContact O-CE2 3.31Å; I22-Y24 PolarHBondContact O-N 3.15Å |
| 23 | D | 70.2 | Confident | 59.7 | Low | 62 Ų | 62 | 95.9 Ų | 95.9 | 33% | 0.332 | 51% | 0.506 | S | S | . | . | trans | -77.9 | 91.5 | 173.5 | -171.2 | -3.6 | 0 | 0 | 0 | 111.5 | K25 N26 L27 | D23-K25 PolarHBondContact O-N 3.37Å; D23-K25 VanDerWaalsContact O-N 3.14Å; D23-K25 VanDerWaalsContact OD1-CB 3.31Å; D23-K25 WeakPolarHBondContact OD1-CB 3.48Å; D23-K25 PolarHBondContact OD1-N 3.3Å; D23-N26 PolarHBondContact O-N 2.67Å; D23-N26 VanDerWaalsContact O-N 3.13Å; D23-N26 PolarHBondContact OD2-ND2 2.8Å; D23-L27 PolarHBondContact O-N 3.5Å | ||
| 24 | Y | 64.5 | Low | 59.2 | Low | 162 Ų | 162 | 92.6 Ų | 92.6 | 64% | 0.635 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.3 | -20.4 | 177.2 | -63.3 | -80 | 0 | 0 | 0 | 113.8 | I22 N26 S28 | I22-Y24 HydrophobicContact CB-CE2 4.15Å; I22-Y24 HydrophobicContact CG2-CD1 4.22Å; I22-Y24 HydrophobicContact CG2-CE1 3.97Å; I22-Y24 HydrophobicContact CG2-CE2 4.27Å; I22-Y24 HydrophobicContact CG2-CG 4.49Å; I22-Y24 WeakPolarHBondContact O-CD2 3.44Å; I22-Y24 WeakPolarHBondContact O-CE2 3.31Å; I22-Y24 PolarHBondContact O-N 3.15Å; Y24-N26 VanDerWaalsContact C-N 3.32Å; Y24-S28 PolarHBondContact O-OG 2.92Å |
| 25 | K | 64.9 | Low | 58.8 | Low | 166 Ų | 166 | 93.6 Ų | 93.6 | 72% | 0.722 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -73.8 | -26.7 | 178 | -64.5 | -179.2 | 178.8 | 175.7 | 0 | 112.3 | D23 S28 | D23-K25 PolarHBondContact O-N 3.37Å; D23-K25 VanDerWaalsContact O-N 3.14Å; D23-K25 VanDerWaalsContact OD1-CB 3.31Å; D23-K25 WeakPolarHBondContact OD1-CB 3.48Å; D23-K25 PolarHBondContact OD1-N 3.3Å; K25-S28 PolarHBondContact O-OG 3.26Å |
| 26 | N | 58.1 | Low | 58 | Low | 81 Ų | 81 | 95.1 Ų | 95.1 | 43% | 0.433 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -92.2 | -26.7 | 176.4 | -71.7 | -34.4 | 0 | 0 | 0 | 112.2 | D23 Y24 S28 K29 | D23-N26 PolarHBondContact O-N 2.67Å; D23-N26 VanDerWaalsContact O-N 3.13Å; D23-N26 PolarHBondContact OD2-ND2 2.8Å; Y24-N26 VanDerWaalsContact C-N 3.32Å; N26-S28 VanDerWaalsContact C-N 3.28Å; N26-S28 PolarHBondContact O-N 3.44Å; N26-K29 PolarHBondContact O-N 3.43Å |
| 27 | L | 56.8 | Low | 57.5 | Low | 82 Ų | 82 | 98.6 Ų | 98.6 | 43% | 0.429 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.1 | -32 | 176.4 | -151 | 73.9 | 0 | 0 | 0 | 113 | D23 K29 | D23-L27 PolarHBondContact O-N 3.5Å; L27-K29 VanDerWaalsContact C-N 3.28Å; L27-K29 PolarHBondContact O-N 3.37Å |
| 28 | S | 52.6 | Low | 57 | Low | 89 Ų | 89 | 99.7 Ų | 99.7 | 62% | 0.622 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -5.1 | 179.3 | 55.3 | 0 | 0 | 0 | 0 | 115 | Y24 K25 N26 | Y24-S28 PolarHBondContact O-OG 2.92Å; K25-S28 PolarHBondContact O-OG 3.26Å; N26-S28 VanDerWaalsContact C-N 3.28Å; N26-S28 PolarHBondContact O-N 3.44Å |
| 29 | K | 53.8 | Low | 56.1 | Low | 165 Ų | 165 | 93.5 Ų | 93.5 | 72% | 0.717 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.8 | -6.7 | 179.4 | -66.3 | -179.4 | -178.2 | 175.3 | 0 | 113.9 | N26 L27 T31 | N26-K29 PolarHBondContact O-N 3.43Å; L27-K29 VanDerWaalsContact C-N 3.28Å; L27-K29 PolarHBondContact O-N 3.37Å; K29-T31 PolarHBondContact O-N 3.48Å |
| 30 | S | 50.8 | Low | 55.5 | Low | 58 Ų | 58 | 95 Ų | 95 | 41% | 0.406 | 52% | 0.523 | S | S | . | . | trans | -95.2 | 74.6 | 179.7 | 176.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 31 | T | 50.1 | Low | 55 | Low | 72 Ų | 72 | 96.3 Ų | 96.3 | 44% | 0.442 | 54% | 0.538 | S | S | . | . | trans | -97.1 | 18.1 | -174.1 | -43.1 | 0 | 0 | 0 | 0 | 113.5 | K29 E85 | K29-T31 PolarHBondContact O-N 3.48Å; T31-E85 HydrophobicContact CG2-CG 4.46Å; T31-E85 WeakPolarHBondContact CG2-OE1 2.95Å; T31-E85 WeakPolarHBondContact CG2-OE2 2.99Å | ||
| 32 | T | 46.2 | Very low | 54.4 | Low | 147 Ų | 147 | 97.4 Ų | 97.4 | 90% | 0.902 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -152.7 | 43 | -177.9 | -31.1 | 0 | 0 | 0 | 0 | 113.6 | ||
| 33 | G | 46.2 | Very low | 53.7 | Low | 34 Ų | 34 | 100 Ų | 100 | 35% | 0.351 | 55% | 0.551 | S | S | . | * | S | Bend | trans | -179.7 | 165.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 34 | P | 47.9 | Very low | 52.8 | Low | 78 Ų | 78 | 104.9 Ų | 104.9 | 51% | 0.506 | 58% | 0.578 | S | S | . | * | S | Bend | trans | -54.1 | 145.6 | 172.3 | 23.1 | -30.7 | 0 | 0 | 0 | 109.7 | S36 P77 | P34-S36 PolarHBondContact O-N 2.7Å; P34-P77 HydrophobicContact CB-CG 4.07Å; P34-P77 HydrophobicContact CG-CG 4.31Å |
| 35 | P | 53.6 | Low | 52.2 | Low | 84 Ų | 84 | 101 Ų | 101 | 55% | 0.545 | 57% | 0.574 | S | S | . | * | trans | -51.7 | 111.5 | -178.9 | 21.4 | -32.4 | 0 | 0 | 0 | 109 | Y37 | P35-Y37 PolarHBondContact O-N 3Å; P35-Y37 VanDerWaalsContact O-N 3.08Å | ||
| 36 | S | 46.7 | Very low | 51.3 | Low | 70 Ų | 70 | 97.5 Ų | 97.5 | 49% | 0.49 | 58% | 0.577 | S | S | . | * | trans | -67.9 | 111.9 | 179.7 | -178.6 | 0 | 0 | 0 | 0 | 107.9 | P34 A38 | P34-S36 PolarHBondContact O-N 2.7Å; S36-A38 PolarHBondContact O-N 3.09Å; S36-A38 WeakPolarHBondContact OG-CB 3.48Å; S36-A38 PolarHBondContact OG-N 2.93Å | ||
| 37 | Y | 54.8 | Low | 50.8 | Low | 201 Ų | 201 | 103 Ų | 103 | 79% | 0.788 | 60% | 0.597 | S | S | * | * | G | 310 helix | trans | -60.4 | -2.8 | 171.3 | -62.1 | -83.2 | 0 | 0 | 0 | 112.9 | P35 S39 V40 | P35-Y37 PolarHBondContact O-N 3Å; P35-Y37 VanDerWaalsContact O-N 3.08Å; Y37-S39 PolarHBondContact O-N 3.08Å; Y37-V40 WeakPolarHBondContact O-CG2 3.27Å; Y37-V40 PolarHBondContact O-N 3.45Å |
| 38 | A | 48.8 | Very low | 50.7 | Low | 88 Ų | 88 | 109 Ų | 109 | 73% | 0.727 | 62% | 0.619 | S | S | * | * | G | 310 helix | trans | -64.7 | -15.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | S36 V40 | S36-A38 PolarHBondContact O-N 3.09Å; S36-A38 WeakPolarHBondContact OG-CB 3.48Å; S36-A38 PolarHBondContact OG-N 2.93Å; A38-V40 VanDerWaalsContact C-N 3.34Å |
| 39 | S | 51.1 | Low | 50.2 | Low | 42 Ų | 42 | 110.5 Ų | 110.5 | 29% | 0.294 | 63% | 0.627 | S | S | . | * | G | 310 helix | trans | -89.6 | 6.1 | 177.2 | 56.6 | 0 | 0 | 0 | 0 | 114.3 | Y37 A41 | Y37-S39 PolarHBondContact O-N 3.08Å; S39-A41 PolarHBondContact O-N 2.88Å |
| 40 | V | 52.3 | Low | 49.9 | Very low | 67 Ų | 67 | 111.9 Ų | 111.9 | 41% | 0.406 | 63% | 0.633 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -80.6 | 96.8 | 171.8 | -173.8 | 0 | 0 | 0 | 0 | 108.3 | V20 Y37 A38 Q42 | V20-V40 HydrophobicContact CG1-CG1 4.04Å; Y37-V40 WeakPolarHBondContact O-CG2 3.27Å; Y37-V40 PolarHBondContact O-N 3.45Å; A38-V40 VanDerWaalsContact C-N 3.34Å; V40-Q42 PolarHBondContact O-N 3.39Å |
| 41 | A | 52.7 | Low | 49.6 | Very low | 66 Ų | 66 | 116 Ų | 116 | 55% | 0.545 | 65% | 0.651 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -77 | 114.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | S39 K43 | S39-A41 PolarHBondContact O-N 2.88Å; A41-K43 PolarHBondContact O-N 3.21Å |
| 42 | Q | 53.7 | Low | 49.3 | Very low | 152 Ų | 152 | 117.9 Ų | 117.9 | 71% | 0.71 | 66% | 0.664 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -70 | 119.8 | 166.5 | -72.5 | -178.4 | -85.1 | 0 | 0 | 107.9 | V40 D44 | V40-Q42 PolarHBondContact O-N 3.39Å; Q42-D44 PolarHBondContact O-N 2.94Å |
| 43 | K | 51.9 | Low | 49.2 | Very low | 133 Ų | 133 | 116.2 Ų | 116.2 | 58% | 0.578 | 66% | 0.658 | S | S | * | * | trans | -75.4 | 123.8 | 170.6 | -148 | 168 | -173 | 160.3 | 0 | 107.3 | E21 A41 S45 | E21-K43 IonicContact OE2-NZ 3.99Å; A41-K43 PolarHBondContact O-N 3.21Å; K43-S45 VanDerWaalsContact C-N 3.29Å; K43-S45 PolarHBondContact O-N 3.08Å | ||
| 44 | D | 50.9 | Low | 49.2 | Very low | 166 Ų | 166 | 120.8 Ų | 120.8 | 89% | 0.888 | 67% | 0.674 | S | S | * | * | trans | -63.2 | 92.1 | 172.2 | -77.8 | -43.1 | 0 | 0 | 0 | 108.8 | Q42 A46 | Q42-D44 PolarHBondContact O-N 2.94Å; D44-A46 PolarHBondContact O-N 3.27Å | ||
| 45 | S | 51.9 | Low | 49.4 | Very low | 80 Ų | 80 | 123.4 Ų | 123.4 | 56% | 0.559 | 68% | 0.683 | S | S | * | * | trans | -76.1 | 93.6 | -179.4 | 57.2 | 0 | 0 | 0 | 0 | 109.6 | D19 K43 K47 | D19-S45 WeakPolarHBondContact OD1-CB 3.27Å; D19-S45 PolarHBondContact OD2-OG 2.91Å; K43-S45 VanDerWaalsContact C-N 3.29Å; K43-S45 PolarHBondContact O-N 3.08Å; S45-K47 PolarHBondContact O-N 3.41Å | ||
| 46 | A | 46.3 | Very low | 49.1 | Very low | 93 Ų | 93 | 130.6 Ų | 130.6 | 77% | 0.769 | 70% | 0.7 | S | S | * | * | trans | -65.2 | 104.4 | 170 | 0 | 0 | 0 | 0 | 0 | 110.6 | D44 | D44-A46 PolarHBondContact O-N 3.27Š| ||
| 47 | K | 47.1 | Very low | 49.6 | Very low | 196 Ų | 196 | 131.3 Ų | 131.3 | 85% | 0.852 | 70% | 0.696 | S | S | * | * | trans | 36.9 | 106.4 | 149.6 | -64.2 | -178.6 | 179.5 | 177.8 | 0 | 116.9 | S45 | S45-K47 PolarHBondContact O-N 3.41Š| ||
| 48 | K | 54.4 | Low | 49.7 | Very low | 207 Ų | 207 | 126.9 Ų | 126.9 | 90% | 0.9 | 70% | 0.695 | S | S | * | * | trans | -156.9 | 155.2 | 144.2 | -109.3 | 159.2 | -171.6 | -174.5 | 0 | 113 | ||||
| 49 | P | 43.9 | Very low | 50.7 | Low | 121 Ų | 121 | 130.8 Ų | 130.8 | 79% | 0.786 | 70% | 0.696 | S | S | * | * | trans | -87.7 | 156.4 | -139.8 | 33.4 | -37.8 | 0 | 0 | 0 | 116 | ||||
| 50 | K | 46.4 | Very low | 51.8 | Low | 194 Ų | 194 | 132.4 Ų | 132.4 | 84% | 0.843 | 72% | 0.719 | S | S | * | * | trans | -63.5 | 137.4 | 176.3 | -81.9 | 175.7 | 172.8 | 172.4 | 0 | 114.1 | ||||
| 51 | N | 43.7 | Very low | 53.1 | Low | 146 Ų | 146 | 137.4 Ų | 137.4 | 78% | 0.781 | 74% | 0.735 | S | S | * | * | trans | 97.4 | 123.9 | 149 | -54.8 | -30.4 | 0 | 0 | 0 | 118.9 | ||||
| 52 | P | 45.4 | Very low | 54.3 | Low | 111 Ų | 111 | 137.1 Ų | 137.1 | 72% | 0.721 | 73% | 0.727 | S | S | * | * | -123 | 131.5 | 122.9 | 35.2 | -25.4 | 0 | 0 | 0 | 110.3 | D54 | P52-D54 VanDerWaalsContact C-N 3.27Å; P52-D54 PolarHBondContact O-N 3.35Å | |||
| 53 | S | 44 | Very low | 55.7 | Low | 112 Ų | 112 | 136.2 Ų | 136.2 | 78% | 0.783 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -25.9 | 1.4 | 167.9 | 38.8 | 0 | 0 | 0 | 0 | 124.1 | ||
| 54 | D | 46.5 | Very low | 57.1 | Low | 129 Ų | 129 | 135 Ų | 135 | 69% | 0.69 | 73% | 0.726 | S | S | * | * | trans | -135.5 | 12.1 | -143 | -87.4 | -59.6 | 0 | 0 | 0 | 122 | P52 | P52-D54 VanDerWaalsContact C-N 3.27Å; P52-D54 PolarHBondContact O-N 3.35Å | ||
| 55 | L | 51.5 | Low | 58.8 | Low | 133 Ų | 133 | 133 Ų | 133 | 70% | 0.696 | 71% | 0.706 | S | S | * | * | trans | -111.1 | 113.3 | 175.3 | -71 | 140.2 | 0 | 0 | 0 | 111.3 | M57 | L55-M57 HydrophobicContact CB-CE 4.24Å; L55-M57 HydrophobicContact CB-CG 3.19Å; L55-M57 HydrophobicContact CB-SD 3.78Å; L55-M57 HydrophobicContact CD1-CE 4.2Å; L55-M57 HydrophobicContact CD1-SD 4.32Å; L55-M57 HydrophobicContact CD2-CG 4.41Å; L55-M57 HydrophobicContact CD2-SD 4.08Å; L55-M57 HydrophobicContact CG-CG 4.3Å; L55-M57 HydrophobicContact CG-SD 4.29Å; L55-M57 WeakPolarHBondContact O-CG 3.3Å; L55-M57 PolarHBondContact O-N 3.48Å | ||
| 56 | R | 46.9 | Very low | 60.3 | Low | 235 Ų | 235 | 131.8 Ų | 131.8 | 89% | 0.887 | 69% | 0.693 | S | S | * | * | trans | -58.1 | 64.3 | 162.6 | -174.5 | -171.4 | 174.7 | -170 | 0 | 110.1 | ||||
| 57 | M | 57.1 | Low | 62.2 | Low | 85 Ų | 85 | 136.6 Ų | 136.6 | 42% | 0.419 | 69% | 0.692 | S | S | . | * | trans | -101.3 | 1.8 | -175.5 | -53.3 | -127.6 | -78.8 | 0 | 0 | 112.6 | L55 K59 V62 | L55-M57 HydrophobicContact CB-CE 4.24Å; L55-M57 HydrophobicContact CB-CG 3.19Å; L55-M57 HydrophobicContact CB-SD 3.78Å; L55-M57 HydrophobicContact CD1-CE 4.2Å; L55-M57 HydrophobicContact CD1-SD 4.32Å; L55-M57 HydrophobicContact CD2-CG 4.41Å; L55-M57 HydrophobicContact CD2-SD 4.08Å; L55-M57 HydrophobicContact CG-CG 4.3Å; L55-M57 HydrophobicContact CG-SD 4.29Å; L55-M57 WeakPolarHBondContact O-CG 3.3Å; L55-M57 PolarHBondContact O-N 3.48Å; M57-K59 PolarHBondContact O-N 2.81Å; M57-V62 HydrophobicContact CB-CG2 4.38Å; M57-V62 HydrophobicContact CE-CG2 3.54Å; M57-V62 HydrophobicContact CG-CG2 4.41Å; M57-V62 HydrophobicContact SD-CG2 3.27Å; M57-V62 WeakPolarHBondContact SD-CG2 3.18Å | ||
| 58 | S | 57.8 | Low | 64.1 | Low | 109 Ų | 109 | 132.2 Ų | 132.2 | 76% | 0.762 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | 19.4 | -171.1 | 55.9 | 0 | 0 | 0 | 0 | 116.1 | ||
| 59 | K | 69.4 | Low | 65.7 | Low | 170 Ų | 170 | 127.4 Ų | 127.4 | 74% | 0.739 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141.3 | 49.5 | -177.8 | -63.1 | -165.4 | 177.4 | -168.3 | 0 | 113.5 | M57 K61 | M57-K59 PolarHBondContact O-N 2.81Å; K59-K61 VanDerWaalsContact C-N 3.28Å; K59-K61 PolarHBondContact O-N 3.07Å |
| 60 | G | 73.7 | Confident | 67.9 | Low | 76 Ų | 76 | 130 Ų | 130 | 78% | 0.784 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 62.4 | 32.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 61 | K | 79 | Confident | 69.8 | Low | 172 Ų | 172 | 123.6 Ų | 123.6 | 75% | 0.748 | 65% | 0.649 | S | S | * | * | trans | -87.5 | -12.1 | 179.2 | -63.1 | -56.5 | -175.7 | -176.7 | 0 | 113.5 | K59 | K59-K61 VanDerWaalsContact C-N 3.28Å; K59-K61 PolarHBondContact O-N 3.07Å | ||
| 62 | V | 78.4 | Confident | 71.8 | Confident | 60 Ų | 60 | 119.5 Ų | 119.5 | 36% | 0.364 | 63% | 0.629 | S | S | . | * | S | Bend | trans | -122.1 | 136.3 | 177.1 | -179.5 | 0 | 0 | 0 | 0 | 108.1 | M57 N64 | M57-V62 HydrophobicContact CB-CG2 4.38Å; M57-V62 HydrophobicContact CE-CG2 3.54Å; M57-V62 HydrophobicContact CG-CG2 4.41Å; M57-V62 HydrophobicContact SD-CG2 3.27Å; M57-V62 WeakPolarHBondContact SD-CG2 3.18Å; V62-N64 PolarHBondContact O-N 3.47Å |
| 63 | L | 83.1 | Confident | 73.8 | Confident | 132 Ų | 132 | 121.2 Ų | 121.2 | 69% | 0.691 | 63% | 0.632 | S | S | * | * | trans | -76.6 | 113.6 | 170.6 | -68 | 173.1 | 0 | 0 | 0 | 108 | C17 | C17-L63 PolarHBondContact SG-O 3.35Š| ||
| 64 | N | 82.4 | Confident | 75.9 | Confident | 109 Ų | 109 | 123.9 Ų | 123.9 | 58% | 0.583 | 63% | 0.63 | S | S | * | * | trans | -96.6 | 121.7 | 171.1 | -64.3 | -14 | 0 | 0 | 0 | 107.8 | V62 L66 | V62-N64 PolarHBondContact O-N 3.47Å; N64-L66 PolarHBondContact O-N 3.27Å | ||
| 65 | Y | 86.3 | Confident | 78 | Confident | 122 Ų | 122 | 125.2 Ų | 125.2 | 48% | 0.478 | 63% | 0.634 | S | S | . | * | B | Isolated β-bridge | trans | -80.9 | 64.8 | 178.2 | -63.3 | -70.4 | 0 | 0 | 0 | 110.7 | C17 V20 | C17-Y65 HydrophobicContact CB-CD2 4.29Å; C17-Y65 HydrophobicContact CB-CE2 3.73Å; C17-Y65 WeakPolarHBondContact SG-CE2 3.5Å; V20-Y65 HydrophobicContact CG2-CD2 4.42Å |
| 66 | L | 82.1 | Confident | 79.7 | Confident | 55 Ų | 55 | 123.9 Ų | 123.9 | 29% | 0.288 | 64% | 0.636 | S | S | . | * | trans | -99 | 135.3 | 176.9 | -177.5 | 65.2 | 0 | 0 | 0 | 110.6 | V9 E13 N64 I68 | V9-L66 HydrophobicContact CG1-CD2 3.67Å; E13-L66 HydrophobicContact CB-CD1 3.93Å; E13-L66 VanDerWaalsContact O-CD1 3.31Å; E13-L66 WeakPolarHBondContact O-CD1 3.47Å; N64-L66 PolarHBondContact O-N 3.27Å; L66-I68 PolarHBondContact O-N 3.39Å | ||
| 67 | R | 86.2 | Confident | 81.9 | Confident | 194 Ų | 194 | 116.6 Ų | 116.6 | 73% | 0.732 | 62% | 0.619 | S | S | * | * | trans | -70.7 | 122.1 | 172 | -175.8 | 178.7 | -178.6 | 167.9 | 0.4 | 109.6 | P69 V72 | R67-P69 WeakPolarHBondContact O-CD 3.41Å; R67-V72 HydrophobicContact CG-CG2 4.14Å | ||
| 68 | I | 87.6 | Confident | 83.6 | Confident | 104 Ų | 104 | 118.8 Ų | 118.8 | 53% | 0.533 | 63% | 0.632 | S | S | . | * | trans | -102.4 | 107.8 | 176.2 | -59.4 | 172.8 | 0 | 0 | 0 | 108.6 | L66 K70 A71 V72 | L66-I68 PolarHBondContact O-N 3.39Å; I68-K70 VanDerWaalsContact C-N 3.25Å; I68-K70 PolarHBondContact O-N 3.04Å; I68-K70 VanDerWaalsContact O-N 3.15Å; I68-A71 HydrophobicContact CB-CB 4.05Å; I68-A71 HydrophobicContact CG2-CB 4.06Å; I68-A71 PolarHBondContact O-N 2.99Å; I68-V72 WeakPolarHBondContact O-CG2 3.15Å; I68-V72 PolarHBondContact O-N 3.3Å | ||
| 69 | P | 87.9 | Confident | 85.2 | Confident | 107 Ų | 107 | 119.7 Ų | 119.7 | 70% | 0.695 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -55.4 | -37.6 | -173.9 | -28.4 | 35.7 | 0 | 0 | 0 | 114 | R67 A71 V72 | R67-P69 WeakPolarHBondContact O-CD 3.41Å; P69-A71 PolarHBondContact O-N 3.2Å; P69-V72 PolarHBondContact O-N 2.99Å |
| 70 | K | 89.8 | Confident | 86.3 | Confident | 174 Ų | 174 | 115.4 Ų | 115.4 | 76% | 0.757 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -68 | -17.8 | 178.4 | -65.9 | -178.2 | 179.7 | 172.9 | 0 | 113.9 | I68 | I68-K70 VanDerWaalsContact C-N 3.25Å; I68-K70 PolarHBondContact O-N 3.04Å; I68-K70 VanDerWaalsContact O-N 3.15Å |
| 71 | A | 87.1 | Confident | 87.3 | Confident | 60 Ų | 60 | 117.9 Ų | 117.9 | 50% | 0.496 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -102.9 | -9.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | I68 P69 | I68-A71 HydrophobicContact CB-CB 4.05Å; I68-A71 HydrophobicContact CG2-CB 4.06Å; I68-A71 PolarHBondContact O-N 2.99Å; P69-A71 PolarHBondContact O-N 3.2Å |
| 72 | V | 85.9 | Confident | 88 | Confident | 61 Ų | 61 | 119.7 Ų | 119.7 | 37% | 0.37 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -61.8 | -47.3 | -175.2 | 179.1 | 0 | 0 | 0 | 0 | 111.5 | R67 I68 P69 | R67-V72 HydrophobicContact CG-CG2 4.14Å; I68-V72 WeakPolarHBondContact O-CG2 3.15Å; I68-V72 PolarHBondContact O-N 3.3Å; P69-V72 PolarHBondContact O-N 2.99Å |
| 73 | D | 87.3 | Confident | 88.7 | Confident | 146 Ų | 146 | 120 Ų | 120 | 78% | 0.781 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.8 | 26.8 | -173.3 | -58.9 | -45.6 | 0 | 0 | 0 | 112.1 | M75 | D73-M75 PolarHBondContact O-N 3.22Š|
| 74 | F | 87.8 | Confident | 89.2 | Confident | 169 Ų | 169 | 117.3 Ų | 117.3 | 74% | 0.741 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -64.2 | -33.5 | -176.7 | -170.8 | -102.7 | 0 | 0 | 0 | 112.1 | ||
| 75 | M | 90.6 | Very high | 89.8 | Confident | 157 Ų | 157 | 117.3 Ų | 117.3 | 77% | 0.773 | 60% | 0.599 | S | S | * | * | trans | -143 | 148.3 | 175.8 | -67.5 | 179.8 | 69.7 | 0 | 0 | 109.6 | D73 | D73-M75 PolarHBondContact O-N 3.22Š| ||
| 76 | S | 87.8 | Confident | 90.2 | Very high | 105 Ų | 105 | 117.1 Ų | 117.1 | 73% | 0.734 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -96.4 | 148.1 | 168 | 51 | 0 | 0 | 0 | 0 | 110.1 | D78 | S76-D78 PolarHBondContact O-N 3.26Š|
| 77 | P | 92.3 | Very high | 90.8 | Very high | 82 Ų | 82 | 120 Ų | 120 | 53% | 0.532 | 62% | 0.622 | S | S | . | * | P | Polyproline II helix | trans | -68 | 131.5 | 176.4 | 28.9 | -34.9 | 0 | 0 | 0 | 110.5 | P34 | P34-P77 HydrophobicContact CB-CG 4.07Å; P34-P77 HydrophobicContact CG-CG 4.31Å |
| 78 | D | 92.6 | Very high | 91.3 | Very high | 131 Ų | 131 | 116.1 Ų | 116.1 | 70% | 0.701 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 124.1 | 166.7 | -176.3 | 0.5 | 0 | 0 | 0 | 109.1 | S76 T80 | S76-D78 PolarHBondContact O-N 3.26Å; D78-T80 VanDerWaalsContact OD1-CB 3.27Å; D78-T80 WeakPolarHBondContact OD1-CB 3.41Å; D78-T80 PolarHBondContact OD1-N 3.21Å; D78-T80 PolarHBondContact OD1-OG1 3.32Å |
| 79 | L | 92.1 | Very high | 91.7 | Very high | 127 Ų | 127 | 113.9 Ų | 113.9 | 67% | 0.665 | 60% | 0.604 | S | S | * | * | trans | -94.9 | 7.4 | -177.7 | -58.9 | 178.9 | 0 | 0 | 0 | 112.8 | E81 | L79-E81 PolarHBondContact O-N 3.36Å; L79-E81 VanDerWaalsContact O-N 3.09Å | ||
| 80 | T | 93.5 | Very high | 92 | Very high | 80 Ų | 80 | 110.3 Ų | 110.3 | 49% | 0.491 | 59% | 0.587 | S | S | . | * | trans | -68.1 | 108 | -179.2 | -54.4 | 0 | 0 | 0 | 0 | 110.9 | D78 Y82 | D78-T80 VanDerWaalsContact OD1-CB 3.27Å; D78-T80 WeakPolarHBondContact OD1-CB 3.41Å; D78-T80 PolarHBondContact OD1-N 3.21Å; D78-T80 PolarHBondContact OD1-OG1 3.32Å; T80-Y82 HydrophobicContact CG2-CE1 4.24Å; T80-Y82 HydrophobicContact CG2-CE2 4.02Å | ||
| 81 | E | 92.8 | Very high | 92.2 | Very high | 128 Ų | 128 | 106.9 Ų | 106.9 | 60% | 0.598 | 58% | 0.576 | S | S | * | * | trans | -106 | 123.6 | 173.1 | -66.2 | -164.1 | -161.7 | 0 | 0 | 111.5 | L79 R88 | L79-E81 PolarHBondContact O-N 3.36Å; L79-E81 VanDerWaalsContact O-N 3.09Å; E81-R88 IonicContact OE2-NH2 3.27Å; E81-R88 PolarHBondContact OE2-NH2 2.75Å | ||
| 82 | Y | 94 | Very high | 92.5 | Very high | 210 Ų | 210 | 107.8 Ų | 107.8 | 82% | 0.824 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -89 | -14.5 | 175.9 | -60.8 | -80.5 | 0 | 0 | 0 | 113.6 | T80 | T80-Y82 HydrophobicContact CG2-CE1 4.24Å; T80-Y82 HydrophobicContact CG2-CE2 4.02Å |
| 83 | V | 93.8 | Very high | 92.9 | Very high | 66 Ų | 66 | 107.3 Ų | 107.3 | 40% | 0.4 | 58% | 0.575 | S | S | . | * | S | Bend | trans | -132 | 128.5 | -176.4 | 178.5 | 0 | 0 | 0 | 0 | 107.1 | Q87 R88 | V83-Q87 HydrophobicContact CG1-CB 3.53Å; V83-R88 PolarHBondContact O-NH2 3.13Å |
| 84 | T | 93.9 | Very high | 93.2 | Very high | 76 Ų | 76 | 106.2 Ų | 106.2 | 47% | 0.466 | 57% | 0.565 | S | S | . | * | trans | -63 | 150 | 178.1 | 61.9 | 0 | 0 | 0 | 0 | 110.7 | T86 Q87 R88 | T84-T86 PolarHBondContact O-N 3.21Å; T84-Q87 WeakPolarHBondContact O-CB 3.48Å; T84-Q87 PolarHBondContact O-N 3.47Å; T84-Q87 VanDerWaalsContact O-N 3.09Å; T84-Q87 WeakPolarHBondContact OG1-CB 3.16Å; T84-Q87 WeakPolarHBondContact OG1-CG 3.41Å; T84-Q87 PolarHBondContact OG1-N 3.44Å; T84-Q87 PolarHBondContact OG1-OE1 2.83Å; T84-R88 PolarHBondContact O-N 3.48Å | ||
| 85 | E | 93.9 | Very high | 93.5 | Very high | 110 Ų | 110 | 103.2 Ų | 103.2 | 51% | 0.514 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -55.1 | -38.9 | 176.1 | -168.5 | -169.3 | -178.7 | 0 | 0 | 112.4 | T31 Q87 R88 A89 | T31-E85 HydrophobicContact CG2-CG 4.46Å; T31-E85 WeakPolarHBondContact CG2-OE1 2.95Å; T31-E85 WeakPolarHBondContact CG2-OE2 2.99Å; E85-Q87 PolarHBondContact O-N 3.09Å; E85-R88 WeakPolarHBondContact O-CB 3.41Å; E85-R88 PolarHBondContact O-N 2.96Å; E85-A89 WeakPolarHBondContact O-CB 3.28Å; E85-A89 PolarHBondContact O-N 3Å |
| 86 | T | 95.1 | Very high | 93.5 | Very high | 118 Ų | 118 | 102.9 Ų | 102.9 | 72% | 0.724 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -61.7 | -43.8 | 177 | -48.4 | 0 | 0 | 0 | 0 | 112.2 | T84 R88 A89 G90 | T84-T86 PolarHBondContact O-N 3.21Å; T86-R88 VanDerWaalsContact C-N 3.34Å; T86-A89 PolarHBondContact O-N 3.37Å; T86-G90 PolarHBondContact O-N 3.02Å |
| 87 | Q | 95.6 | Very high | 93.6 | Very high | 114 Ų | 114 | 103 Ų | 103 | 53% | 0.533 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.5 | -43 | 175.2 | -75.2 | 164.5 | -23.2 | 0 | 0 | 111.1 | V83 T84 E85 G90 L91 | V83-Q87 HydrophobicContact CG1-CB 3.53Å; T84-Q87 WeakPolarHBondContact O-CB 3.48Å; T84-Q87 PolarHBondContact O-N 3.47Å; T84-Q87 VanDerWaalsContact O-N 3.09Å; T84-Q87 WeakPolarHBondContact OG1-CB 3.16Å; T84-Q87 WeakPolarHBondContact OG1-CG 3.41Å; T84-Q87 PolarHBondContact OG1-N 3.44Å; T84-Q87 PolarHBondContact OG1-OE1 2.83Å; E85-Q87 PolarHBondContact O-N 3.09Å; Q87-G90 PolarHBondContact O-N 2.98Å; Q87-L91 PolarHBondContact O-N 3.01Å |
| 88 | R | 95.9 | Very high | 93.1 | Very high | 114 Ų | 114 | 105 Ų | 105 | 43% | 0.43 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61.1 | -47.5 | 177 | -168.5 | -167.7 | -48.1 | -85.9 | -0.4 | 111.7 | E81 V83 T84 E85 T86 G90 L91 I92 | E81-R88 IonicContact OE2-NH2 3.27Å; E81-R88 PolarHBondContact OE2-NH2 2.75Å; V83-R88 PolarHBondContact O-NH2 3.13Å; T84-R88 PolarHBondContact O-N 3.48Å; E85-R88 WeakPolarHBondContact O-CB 3.41Å; E85-R88 PolarHBondContact O-N 2.96Å; T86-R88 VanDerWaalsContact C-N 3.34Å; R88-G90 PolarHBondContact O-N 3.14Å; R88-L91 PolarHBondContact O-N 3.5Å; R88-I92 HydrophobicContact CG-CD1 4.09Å; R88-I92 VanDerWaalsContact O-CG1 3.28Å; R88-I92 WeakPolarHBondContact O-CG1 3.31Å; R88-I92 PolarHBondContact O-N 2.99Å |
| 89 | A | 95.5 | Very high | 92.4 | Very high | 56 Ų | 56 | 107.1 Ų | 107.1 | 46% | 0.463 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.7 | -42.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | E85 T86 I92 A93 | E85-A89 WeakPolarHBondContact O-CB 3.28Å; E85-A89 PolarHBondContact O-N 3Å; T86-A89 PolarHBondContact O-N 3.37Å; A89-I92 PolarHBondContact O-N 3.45Å; A89-A93 WeakPolarHBondContact O-CB 3.47Å; A89-A93 PolarHBondContact O-N 3.25Å |
| 90 | G | 94.7 | Very high | 90.7 | Very high | 33 Ų | 33 | 111.3 Ų | 111.3 | 34% | 0.34 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -60.6 | -45.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | T86 Q87 R88 A93 Q94 | T86-G90 PolarHBondContact O-N 3.02Å; Q87-G90 PolarHBondContact O-N 2.98Å; R88-G90 PolarHBondContact O-N 3.14Å; G90-A93 PolarHBondContact O-N 3.1Å; G90-Q94 WeakPolarHBondContact O-CG 3.43Å; G90-Q94 PolarHBondContact O-N 3.36Å |
| 91 | L | 93.3 | Very high | 90.5 | Very high | 101 Ų | 101 | 112.9 Ų | 112.9 | 53% | 0.529 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -61.8 | -44.8 | 176.5 | -177.1 | 66.6 | 0 | 0 | 0 | 111.9 | Q87 R88 A93 Q94 L95 | Q87-L91 PolarHBondContact O-N 3.01Å; R88-L91 PolarHBondContact O-N 3.5Å; L91-A93 VanDerWaalsContact C-N 3.3Å; L91-A93 PolarHBondContact O-N 3.27Å; L91-Q94 PolarHBondContact O-N 3.41Å; L91-L95 HydrophobicContact CG-CD1 4.48Å; L91-L95 WeakPolarHBondContact O-CG 3.47Å; L91-L95 PolarHBondContact O-N 3.35Å |
| 92 | I | 94.8 | Very high | 90.4 | Very high | 80 Ų | 80 | 112.1 Ų | 112.1 | 41% | 0.41 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -61.4 | -40.3 | 177.2 | -68.7 | 166 | 0 | 0 | 0 | 110.9 | R88 A89 L95 K96 | R88-I92 HydrophobicContact CG-CD1 4.09Å; R88-I92 VanDerWaalsContact O-CG1 3.28Å; R88-I92 WeakPolarHBondContact O-CG1 3.31Å; R88-I92 PolarHBondContact O-N 2.99Å; A89-I92 PolarHBondContact O-N 3.45Å; I92-L95 PolarHBondContact O-N 3.13Å; I92-K96 HydrophobicContact CG2-CD 4.41Å; I92-K96 WeakPolarHBondContact O-CG 3.38Å; I92-K96 PolarHBondContact O-N 3.42Å; I92-K96 VanDerWaalsContact O-N 3.1Å |
| 93 | A | 93.9 | Very high | 90.2 | Very high | 51 Ų | 51 | 106.6 Ų | 106.6 | 42% | 0.421 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -63.3 | -44.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | A89 G90 L91 L95 K96 V97 | A89-A93 WeakPolarHBondContact O-CB 3.47Å; A89-A93 PolarHBondContact O-N 3.25Å; G90-A93 PolarHBondContact O-N 3.1Å; L91-A93 VanDerWaalsContact C-N 3.3Å; L91-A93 PolarHBondContact O-N 3.27Å; A93-L95 PolarHBondContact O-N 3.14Å; A93-K96 WeakPolarHBondContact O-CB 3.41Å; A93-K96 PolarHBondContact O-N 2.95Å; A93-K96 VanDerWaalsContact O-N 3.14Å; A93-V97 WeakPolarHBondContact O-CG2 3.44Å; A93-V97 PolarHBondContact O-N 3.41Å; A93-V97 VanDerWaalsContact O-N 3.13Å |
| 94 | Q | 92.8 | Very high | 90 | Very high | 122 Ų | 122 | 109 Ų | 109 | 57% | 0.57 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -60.4 | -42.8 | 175.9 | -70.3 | 173.7 | 1.5 | 0 | 0 | 112.2 | G90 L91 K96 V97 N98 | G90-Q94 WeakPolarHBondContact O-CG 3.43Å; G90-Q94 PolarHBondContact O-N 3.36Å; L91-Q94 PolarHBondContact O-N 3.41Å; Q94-K96 VanDerWaalsContact C-N 3.26Å; Q94-K96 PolarHBondContact O-N 3.02Å; Q94-V97 PolarHBondContact O-N 3.13Å; Q94-N98 PolarHBondContact O-N 3.22Å; Q94-N98 VanDerWaalsContact O-N 3.13Å; Q94-N98 PolarHBondContact O-ND2 3.46Å |
| 95 | L | 93.6 | Very high | 89.8 | Confident | 106 Ų | 106 | 111.1 Ų | 111.1 | 56% | 0.555 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -63.6 | -30.7 | 176 | -71.7 | 173.2 | 0 | 0 | 0 | 113.1 | L91 I92 A93 | L91-L95 HydrophobicContact CG-CD1 4.48Å; L91-L95 WeakPolarHBondContact O-CG 3.47Å; L91-L95 PolarHBondContact O-N 3.35Å; I92-L95 PolarHBondContact O-N 3.13Å; A93-L95 PolarHBondContact O-N 3.14Å |
| 96 | K | 91.5 | Very high | 89.5 | Confident | 151 Ų | 151 | 111.1 Ų | 111.1 | 66% | 0.657 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -72.4 | -35.8 | 175.4 | -74 | 175 | 179.7 | -179.3 | 0 | 112.3 | I92 A93 Q94 | I92-K96 HydrophobicContact CG2-CD 4.41Å; I92-K96 WeakPolarHBondContact O-CG 3.38Å; I92-K96 PolarHBondContact O-N 3.42Å; I92-K96 VanDerWaalsContact O-N 3.1Å; A93-K96 WeakPolarHBondContact O-CB 3.41Å; A93-K96 PolarHBondContact O-N 2.95Å; A93-K96 VanDerWaalsContact O-N 3.14Å; Q94-K96 VanDerWaalsContact C-N 3.26Å; Q94-K96 PolarHBondContact O-N 3.02Å |
| 97 | V | 90.2 | Very high | 89.1 | Confident | 107 Ų | 107 | 110.6 Ų | 110.6 | 65% | 0.648 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -72 | -34.4 | 179 | 175.4 | 0 | 0 | 0 | 0 | 111.7 | A93 Q94 K99 | A93-V97 WeakPolarHBondContact O-CG2 3.44Å; A93-V97 PolarHBondContact O-N 3.41Å; A93-V97 VanDerWaalsContact O-N 3.13Å; Q94-V97 PolarHBondContact O-N 3.13Å; V97-K99 VanDerWaalsContact C-N 3.26Å; V97-K99 PolarHBondContact O-N 3.29Å |
| 98 | N | 82.4 | Confident | 88.6 | Confident | 123 Ų | 123 | 110.4 Ų | 110.4 | 66% | 0.658 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | 16.1 | -176.7 | -63.3 | -17.7 | 0 | 0 | 0 | 114.4 | Q94 | Q94-N98 PolarHBondContact O-N 3.22Å; Q94-N98 VanDerWaalsContact O-N 3.13Å; Q94-N98 PolarHBondContact O-ND2 3.46Å |
| 99 | K | 76.6 | Confident | 88 | Confident | 177 Ų | 177 | 110.1 Ų | 110.1 | 77% | 0.77 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | -5.8 | 178.7 | -91.2 | -174.2 | 173.3 | -173 | 0 | 114 | V97 | V97-K99 VanDerWaalsContact C-N 3.26Å; V97-K99 PolarHBondContact O-N 3.29Å |
| 100 | D | 56.6 | Low | 87.3 | Confident | 214 Ų | 214 | 115 Ų | 115 | 100% | 1.144 | 61% | 0.609 | S | S | * | * | trans | -98.9 | 0 | 171 | -60.6 | -34.6 | 0 | 0 | 0 | 110.4 |
Retrieved 100 of 100 residues in 101.2 ms
(Link to these results)