| 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 | 63 | Low | 67.9 | Low | 238 Ų | 238 | 180.5 Ų | 180.5 | 100% | 1.172 | 84% | 0.84 | S | S | * | * | 0 | 84.3 | 0 | -66.3 | -95.2 | -151.9 | 0 | 0 | 108.7 | |||||
| 2 | H | 58.7 | Low | 68.8 | Low | 198 Ų | 198 | 173.8 Ų | 173.8 | 92% | 0.917 | 81% | 0.814 | S | S | * | * | trans | -85.7 | 110.1 | 171.4 | -81.8 | -3.3 | 0 | 0 | 0 | 108.4 | ||||
| 3 | R | 65 | Low | 69.7 | Low | 245 Ų | 245 | 165.8 Ų | 165.8 | 93% | 0.925 | 79% | 0.785 | S | S | * | * | trans | -80.3 | 111.5 | 167.3 | -91.2 | -179.8 | 171.2 | 175 | -2.9 | 107.6 | K5 | R3-K5 PolarHBondContact O-N 3.37Š| ||
| 4 | E | 69.9 | Low | 70.6 | Confident | 189 Ų | 189 | 160.1 Ų | 160.1 | 88% | 0.883 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 129.7 | 166.7 | -68.8 | -173.8 | 155.4 | 0 | 0 | 109.3 | ||
| 5 | K | 67.6 | Low | 71.5 | Confident | 194 Ų | 194 | 156.3 Ų | 156.3 | 84% | 0.843 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -71 | 139.9 | 173.6 | -74.5 | -173.8 | 177 | -177.7 | 0 | 109.5 | R3 K7 | R3-K5 PolarHBondContact O-N 3.37Å; K5-K7 PolarHBondContact O-N 3.31Å |
| 6 | P | 66.4 | Low | 72 | Confident | 126 Ų | 126 | 152.8 Ų | 152.8 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 131.1 | 174.9 | 25.5 | -31.8 | 0 | 0 | 0 | 110.3 | E8 | P6-E8 PolarHBondContact O-N 3.04Š|
| 7 | K | 66.4 | Low | 72.5 | Confident | 198 Ų | 198 | 147.1 Ų | 147.1 | 86% | 0.861 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 127.8 | 173.8 | -70.1 | 178.9 | 178.5 | 175.4 | 0 | 109.3 | K5 K9 | K5-K7 PolarHBondContact O-N 3.31Å; K7-K9 PolarHBondContact O-N 3.25Å |
| 8 | E | 68.9 | Low | 73.3 | Confident | 184 Ų | 184 | 147.9 Ų | 147.9 | 86% | 0.86 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 122.8 | 170.3 | -166.5 | 166.8 | -171.2 | 0 | 0 | 108.7 | P6 D10 | P6-E8 PolarHBondContact O-N 3.04Å; E8-D10 PolarHBondContact O-N 3.44Å |
| 9 | K | 64.6 | Low | 73.8 | Confident | 156 Ų | 156 | 144.6 Ų | 144.6 | 68% | 0.678 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 121.4 | 178.6 | -69.5 | -179.8 | -179.4 | 175.4 | 0 | 107.5 | K7 E11 | K7-K9 PolarHBondContact O-N 3.25Å; K9-E11 PolarHBondContact O-N 3.13Å |
| 10 | D | 76.4 | Confident | 74.2 | Confident | 116 Ų | 116 | 142.9 Ų | 142.9 | 62% | 0.62 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 131.3 | 175.2 | -59.4 | -46.6 | 0 | 0 | 0 | 109.3 | E8 D12 T13 | E8-D10 PolarHBondContact O-N 3.44Å; D10-D12 PolarHBondContact O-N 2.91Å; D10-T13 HydrophobicContact CB-CG2 4.34Å; D10-T13 WeakPolarHBondContact O-CB 3.46Å; D10-T13 PolarHBondContact O-N 3.33Å; D10-T13 PolarHBondContact O-OG1 3.1Å |
| 11 | E | 80.2 | Confident | 74.5 | Confident | 141 Ų | 141 | 141.6 Ų | 141.6 | 66% | 0.659 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -49.8 | -30.2 | 179.8 | -64.4 | -176.6 | 172 | 0 | 0 | 112.9 | K9 E14 K15 | K9-E11 PolarHBondContact O-N 3.13Å; E11-E14 PolarHBondContact O-N 2.9Å; E11-K15 WeakPolarHBondContact O-CG 3.3Å; E11-K15 PolarHBondContact O-N 2.86Å; E11-K15 IonicContact OE2-NZ 3.7Å |
| 12 | D | 78.7 | Confident | 75.5 | Confident | 100 Ų | 100 | 136.5 Ų | 136.5 | 54% | 0.535 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -68.6 | -34.1 | 178.8 | -67.5 | -16.9 | 0 | 0 | 0 | 112.5 | D10 E14 K15 I16 | D10-D12 PolarHBondContact O-N 2.91Å; D12-E14 VanDerWaalsContact C-N 3.3Å; D12-E14 PolarHBondContact O-N 3.45Å; D12-K15 PolarHBondContact O-N 3.34Å; D12-K15 IonicContact OD1-NZ 3.32Å; D12-K15 PolarHBondContact OD1-NZ 3.46Å; D12-I16 WeakPolarHBondContact O-CB 3.43Å; D12-I16 WeakPolarHBondContact O-CD1 3.44Å; D12-I16 WeakPolarHBondContact O-CG1 2.95Å; D12-I16 PolarHBondContact O-N 3.37Å |
| 13 | T | 80.3 | Confident | 76.4 | Confident | 71 Ų | 71 | 131.9 Ų | 131.9 | 44% | 0.436 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -65.9 | -36.4 | 174.8 | 60.9 | 0 | 0 | 0 | 0 | 111.6 | D10 S17 | D10-T13 HydrophobicContact CB-CG2 4.34Å; D10-T13 WeakPolarHBondContact O-CB 3.46Å; D10-T13 PolarHBondContact O-N 3.33Å; D10-T13 PolarHBondContact O-OG1 3.1Å; T13-S17 WeakPolarHBondContact O-CB 3.44Å; T13-S17 PolarHBondContact O-N 3.21Å |
| 14 | E | 82.1 | Confident | 76.8 | Confident | 85 Ų | 85 | 122.2 Ų | 122.2 | 40% | 0.397 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -68.7 | -43.9 | 174.9 | -62.6 | -163.6 | 167.5 | 0 | 0 | 111.7 | E11 D12 I16 S17 R18 | E11-E14 PolarHBondContact O-N 2.9Å; D12-E14 VanDerWaalsContact C-N 3.3Å; D12-E14 PolarHBondContact O-N 3.45Å; E14-I16 VanDerWaalsContact C-N 3.34Å; E14-I16 PolarHBondContact O-N 3.21Å; E14-S17 WeakPolarHBondContact CA-OG 3.01Å; E14-S17 PolarHBondContact O-N 3.42Å; E14-S17 PolarHBondContact O-OG 2.95Å; E14-R18 WeakPolarHBondContact O-CG 3.41Å; E14-R18 PolarHBondContact O-N 3.28Å |
| 15 | K | 85.1 | Confident | 76.9 | Confident | 104 Ų | 104 | 117.4 Ų | 117.4 | 45% | 0.452 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -58.5 | -46.1 | 175.3 | -69.5 | 168.3 | -163.7 | 156.5 | 0 | 111.4 | E11 D12 S17 R18 I19 | E11-K15 WeakPolarHBondContact O-CG 3.3Å; E11-K15 PolarHBondContact O-N 2.86Å; E11-K15 IonicContact OE2-NZ 3.7Å; D12-K15 PolarHBondContact O-N 3.34Å; D12-K15 IonicContact OD1-NZ 3.32Å; D12-K15 PolarHBondContact OD1-NZ 3.46Å; K15-S17 VanDerWaalsContact C-N 3.33Å; K15-S17 PolarHBondContact O-N 3.4Å; K15-R18 PolarHBondContact O-N 3.07Å; K15-I19 WeakPolarHBondContact O-CG1 3.5Å; K15-I19 PolarHBondContact O-N 3.37Å; K15-I19 VanDerWaalsContact O-N 3.08Å |
| 16 | I | 78.8 | Confident | 77.2 | Confident | 100 Ų | 100 | 113.2 Ų | 113.2 | 51% | 0.513 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -61.3 | -43.4 | 176.9 | -67.9 | 163.8 | 0 | 0 | 0 | 110.5 | D12 E14 R18 I19 L20 | D12-I16 WeakPolarHBondContact O-CB 3.43Å; D12-I16 WeakPolarHBondContact O-CD1 3.44Å; D12-I16 WeakPolarHBondContact O-CG1 2.95Å; D12-I16 PolarHBondContact O-N 3.37Å; E14-I16 VanDerWaalsContact C-N 3.34Å; E14-I16 PolarHBondContact O-N 3.21Å; I16-R18 VanDerWaalsContact C-N 3.35Å; I16-R18 PolarHBondContact O-N 3.47Å; I16-I19 PolarHBondContact O-N 2.88Å; I16-L20 HydrophobicContact CG2-CD1 3.98Å; I16-L20 HydrophobicContact CG2-CG 4.4Å; I16-L20 WeakPolarHBondContact O-CG 3.25Å; I16-L20 PolarHBondContact O-N 3.2Å |
| 17 | S | 81.2 | Confident | 77 | Confident | 56 Ų | 56 | 110.7 Ų | 110.7 | 39% | 0.392 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.3 | -36.4 | 178.9 | 74.6 | 0 | 0 | 0 | 0 | 113.3 | T13 E14 K15 N21 | T13-S17 WeakPolarHBondContact O-CB 3.44Å; T13-S17 PolarHBondContact O-N 3.21Å; E14-S17 WeakPolarHBondContact CA-OG 3.01Å; E14-S17 PolarHBondContact O-N 3.42Å; E14-S17 PolarHBondContact O-OG 2.95Å; K15-S17 VanDerWaalsContact C-N 3.33Å; K15-S17 PolarHBondContact O-N 3.4Å; S17-N21 PolarHBondContact O-N 3.3Å; S17-N21 VanDerWaalsContact O-N 3.08Å; S17-N21 PolarHBondContact O-ND2 2.79Å |
| 18 | R | 86.5 | Confident | 76.8 | Confident | 161 Ų | 161 | 104.4 Ų | 104.4 | 61% | 0.608 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65 | -47.2 | 175.1 | -71.8 | -177.2 | -163.1 | -176.4 | 6.8 | 111.4 | E14 K15 I16 L20 N21 E22 | E14-R18 WeakPolarHBondContact O-CG 3.41Å; E14-R18 PolarHBondContact O-N 3.28Å; K15-R18 PolarHBondContact O-N 3.07Å; I16-R18 VanDerWaalsContact C-N 3.35Å; I16-R18 PolarHBondContact O-N 3.47Å; R18-L20 VanDerWaalsContact C-N 3.33Å; R18-L20 PolarHBondContact O-N 3.07Å; R18-N21 PolarHBondContact O-N 2.87Å; R18-E22 PolarHBondContact O-N 3.33Å |
| 19 | I | 83.1 | Confident | 76.2 | Confident | 85 Ų | 85 | 98.1 Ų | 98.1 | 44% | 0.436 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.3 | -45.2 | 178.1 | -68.9 | 168.7 | 0 | 0 | 0 | 110.5 | K15 I16 N21 E22 F23 | K15-I19 WeakPolarHBondContact O-CG1 3.5Å; K15-I19 PolarHBondContact O-N 3.37Å; K15-I19 VanDerWaalsContact O-N 3.08Å; I16-I19 PolarHBondContact O-N 2.88Å; I19-N21 VanDerWaalsContact C-N 3.34Å; I19-N21 PolarHBondContact O-N 3.31Å; I19-E22 PolarHBondContact O-N 3.49Å; I19-F23 HydrophobicContact CG2-CD2 3.54Å; I19-F23 HydrophobicContact CG2-CE2 3.3Å; I19-F23 WeakPolarHBondContact O-CD2 3.44Å; I19-F23 PolarHBondContact O-N 2.88Å |
| 20 | L | 80.3 | Confident | 75.7 | Confident | 111 Ų | 111 | 94.3 Ų | 94.3 | 58% | 0.581 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.4 | -37.4 | 177.9 | -70.9 | 173.5 | 0 | 0 | 0 | 112.9 | I16 R18 F23 G24 | I16-L20 HydrophobicContact CG2-CD1 3.98Å; I16-L20 HydrophobicContact CG2-CG 4.4Å; I16-L20 WeakPolarHBondContact O-CG 3.25Å; I16-L20 PolarHBondContact O-N 3.2Å; R18-L20 VanDerWaalsContact C-N 3.33Å; R18-L20 PolarHBondContact O-N 3.07Å; L20-F23 PolarHBondContact O-N 2.9Å; L20-G24 PolarHBondContact O-N 3.26Å |
| 21 | N | 81.1 | Confident | 74.8 | Confident | 116 Ų | 116 | 96.8 Ų | 96.8 | 62% | 0.62 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -70.4 | -37.5 | 176.6 | -75.5 | -17.2 | 0 | 0 | 0 | 112.5 | S17 R18 I19 G24 S25 | S17-N21 PolarHBondContact O-N 3.3Å; S17-N21 VanDerWaalsContact O-N 3.08Å; S17-N21 PolarHBondContact O-ND2 2.79Å; R18-N21 PolarHBondContact O-N 2.87Å; I19-N21 VanDerWaalsContact C-N 3.34Å; I19-N21 PolarHBondContact O-N 3.31Å; N21-G24 PolarHBondContact O-N 2.93Å; N21-S25 PolarHBondContact O-N 2.97Å; N21-S25 VanDerWaalsContact O-N 3.08Å; N21-S25 PolarHBondContact O-OG 2.97Å |
| 22 | E | 83.5 | Confident | 73.7 | Confident | 130 Ų | 130 | 98.7 Ų | 98.7 | 61% | 0.607 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.1 | -46.4 | 172.4 | -76.1 | 175.6 | -173.1 | 0 | 0 | 110.8 | R18 I19 G24 S25 I26 | R18-E22 PolarHBondContact O-N 3.33Å; I19-E22 PolarHBondContact O-N 3.49Å; E22-G24 PolarHBondContact O-N 2.94Å; E22-S25 PolarHBondContact O-N 3.43Å; E22-I26 WeakPolarHBondContact O-CG1 3.21Å; E22-I26 PolarHBondContact O-N 2.85Å |
| 23 | F | 77.7 | Confident | 72.5 | Confident | 102 Ų | 102 | 100.4 Ų | 100.4 | 45% | 0.447 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.3 | -43.9 | 174.8 | -79.9 | -63 | 0 | 0 | 0 | 112.6 | I19 L20 S25 I26 F27 | I19-F23 HydrophobicContact CG2-CD2 3.54Å; I19-F23 HydrophobicContact CG2-CE2 3.3Å; I19-F23 WeakPolarHBondContact O-CD2 3.44Å; I19-F23 PolarHBondContact O-N 2.88Å; L20-F23 PolarHBondContact O-N 2.9Å; F23-S25 VanDerWaalsContact C-N 3.28Å; F23-S25 PolarHBondContact O-N 3.23Å; F23-I26 PolarHBondContact O-N 2.95Å; F23-F27 HydrophobicContact CB-CE2 4.29Å; F23-F27 HydrophobicContact CD1-CE2 4.35Å; F23-F27 WeakPolarHBondContact O-CD2 3.49Å; F23-F27 PolarHBondContact O-N 3.11Å |
| 24 | G | 73.7 | Confident | 71.3 | Confident | 41 Ų | 41 | 102.2 Ų | 102.2 | 42% | 0.423 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -59.9 | -37.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L20 N21 E22 F27 A28 | L20-G24 PolarHBondContact O-N 3.26Å; N21-G24 PolarHBondContact O-N 2.93Å; E22-G24 PolarHBondContact O-N 2.94Å; G24-F27 PolarHBondContact O-N 3.23Å; G24-A28 WeakPolarHBondContact O-CB 3.4Å; G24-A28 PolarHBondContact O-N 3.45Å |
| 25 | S | 73 | Confident | 70 | Confident | 88 Ų | 88 | 106.1 Ų | 106.1 | 62% | 0.615 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -69.6 | -35.2 | 179.2 | -57.2 | 0 | 0 | 0 | 0 | 112.6 | N21 E22 F23 | N21-S25 PolarHBondContact O-N 2.97Å; N21-S25 VanDerWaalsContact O-N 3.08Å; N21-S25 PolarHBondContact O-OG 2.97Å; E22-S25 PolarHBondContact O-N 3.43Å; F23-S25 VanDerWaalsContact C-N 3.28Å; F23-S25 PolarHBondContact O-N 3.23Å |
| 26 | I | 73.3 | Confident | 68.2 | Low | 106 Ų | 106 | 107.2 Ų | 107.2 | 54% | 0.544 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -63.9 | -43.5 | 175.3 | -66.3 | 166.2 | 0 | 0 | 0 | 110.3 | E22 F23 | E22-I26 WeakPolarHBondContact O-CG1 3.21Å; E22-I26 PolarHBondContact O-N 2.85Å; F23-I26 PolarHBondContact O-N 2.95Å |
| 27 | F | 62.3 | Low | 66.9 | Low | 74 Ų | 74 | 111.8 Ų | 111.8 | 33% | 0.325 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -77.7 | -30.6 | -177.5 | -62.6 | -55.6 | 0 | 0 | 0 | 113.9 | F23 G24 G29 C30 E103 R107 | F23-F27 HydrophobicContact CB-CE2 4.29Å; F23-F27 HydrophobicContact CD1-CE2 4.35Å; F23-F27 WeakPolarHBondContact O-CD2 3.49Å; F23-F27 PolarHBondContact O-N 3.11Å; G24-F27 PolarHBondContact O-N 3.23Å; F27-G29 PolarHBondContact O-N 3.18Å; F27-C30 PolarHBondContact O-N 3.03Å; F27-E103 WeakPolarHBondContact CD1-OE1 3.36Å; F27-E103 HydrophobicContact CE1-CG 4.42Å; F27-E103 WeakPolarHBondContact CE1-OE1 3.26Å; F27-R107 VanDerWaalsContact CE1-CZ 3.46Å |
| 28 | A | 62.8 | Low | 65.2 | Low | 66 Ų | 66 | 118.5 Ų | 118.5 | 55% | 0.545 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -64.8 | -19.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | G24 | G24-A28 WeakPolarHBondContact O-CB 3.4Å; G24-A28 PolarHBondContact O-N 3.45Å |
| 29 | G | 55.5 | Low | 63.5 | Low | 51 Ų | 51 | 116.4 Ų | 116.4 | 53% | 0.526 | 64% | 0.636 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.7 | -18.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115 | F27 | F27-G29 PolarHBondContact O-N 3.18Š|
| 30 | C | 54.5 | Low | 61.8 | Low | 77 Ų | 77 | 122.2 Ų | 122.2 | 52% | 0.52 | 66% | 0.658 | S | S | . | * | G | 310 helix | trans | -86.3 | -17.6 | -171.9 | -76 | 0 | 0 | 0 | 0 | 114.8 | F27 K32 | F27-C30 PolarHBondContact O-N 3.03Å; C30-K32 VanDerWaalsContact C-N 3.31Å; C30-K32 PolarHBondContact O-N 3.41Å |
| 31 | E | 56.4 | Low | 60 | Low | 167 Ų | 167 | 126.2 Ų | 126.2 | 78% | 0.78 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -77.8 | -6 | -174.1 | -77.4 | -175.2 | 157.5 | 0 | 0 | 115.1 | ||
| 32 | K | 57.1 | Low | 58.4 | Low | 181 Ų | 181 | 127.3 Ų | 127.3 | 79% | 0.787 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -96.5 | -4.8 | -170.6 | -64.7 | -173.9 | -177.4 | 175.6 | 0 | 116.3 | C30 | C30-K32 VanDerWaalsContact C-N 3.31Å; C30-K32 PolarHBondContact O-N 3.41Å |
| 33 | N | 54.5 | Low | 56.3 | Low | 136 Ų | 136 | 128.6 Ų | 128.6 | 73% | 0.727 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -111.5 | 9.1 | -172.3 | -66.3 | -12.1 | 0 | 0 | 0 | 115.2 | Q35 | N33-Q35 VanDerWaalsContact C-N 3.33Å; N33-Q35 PolarHBondContact O-N 3.46Å |
| 34 | S | 54.5 | Low | 55.1 | Low | 109 Ų | 109 | 129.3 Ų | 129.3 | 76% | 0.762 | 71% | 0.71 | S | S | * | * | trans | -87.4 | 11.8 | -174.7 | 73.6 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 35 | Q | 54.6 | Low | 53.9 | Low | 167 Ų | 167 | 134.5 Ų | 134.5 | 78% | 0.78 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -115.1 | 124.3 | 175.4 | -61.1 | -162.9 | 12.9 | 0 | 0 | 110.2 | N33 | N33-Q35 VanDerWaalsContact C-N 3.33Å; N33-Q35 PolarHBondContact O-N 3.46Å |
| 36 | T | 47.4 | Very low | 52.9 | Low | 128 Ų | 128 | 138 Ų | 138 | 79% | 0.785 | 74% | 0.74 | S | S | * | * | trans | 88.3 | 100.4 | 170 | 71.1 | 0 | 0 | 0 | 0 | 118 | ||||
| 37 | K | 53.1 | Low | 51.8 | Low | 196 Ų | 196 | 141.4 Ų | 141.4 | 85% | 0.852 | 75% | 0.754 | S | S | * | * | 158 | 110.4 | 114.4 | -84.3 | 171.8 | -176.5 | 178.4 | 0 | 111.2 | |||||
| 38 | E | 43.7 | Very low | 50.6 | Low | 196 Ų | 196 | 142.6 Ų | 142.6 | 92% | 0.916 | 78% | 0.777 | S | S | * | * | trans | -77.4 | 134.2 | 163.2 | -72.1 | -82.2 | 148.9 | 0 | 0 | 109.9 | ||||
| 39 | P | 51.4 | Low | 49.8 | Very low | 118 Ų | 118 | 143.8 Ų | 143.8 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | trans | -125 | 148 | 153 | 29.5 | -13.8 | 0 | 0 | 0 | 114.4 | ||||
| 40 | K | 48.2 | Very low | 49.3 | Very low | 207 Ų | 207 | 150.2 Ų | 150.2 | 90% | 0.9 | 80% | 0.803 | S | S | * | * | trans | -65.4 | 152.2 | -169.8 | -72 | 165.3 | 170.1 | 173.7 | 0 | 114.8 | ||||
| 41 | K | 41.8 | Very low | 49.1 | Very low | 194 Ų | 194 | 154.1 Ų | 154.1 | 84% | 0.843 | 82% | 0.819 | S | S | * | * | trans | -67.3 | 141.8 | 174.6 | -61.8 | 175.7 | 177.3 | 179.9 | 0 | 113.2 | ||||
| 42 | T | 47.3 | Very low | 48.4 | Very low | 139 Ų | 139 | 155.8 Ų | 155.8 | 85% | 0.853 | 83% | 0.827 | S | S | * | * | trans | -141.7 | 124.7 | 154.9 | 41.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 43 | D | 39.5 | Very low | 48 | Very low | 157 Ų | 157 | 150.1 Ų | 150.1 | 84% | 0.84 | 81% | 0.813 | S | S | * | * | trans | -85.3 | 135.8 | 178.4 | -59.9 | -59.1 | 0 | 0 | 0 | 111 | ||||
| 44 | S | 52.1 | Low | 47.6 | Very low | 117 Ų | 117 | 150.5 Ų | 150.5 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -159.9 | 128.9 | 153.5 | 58.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 45 | N | 48.8 | Very low | 47.5 | Very low | 151 Ų | 151 | 151 Ų | 151 | 81% | 0.807 | 81% | 0.81 | S | S | * | * | trans | -62.5 | 145.5 | 179.4 | -54.8 | -54.1 | 0 | 0 | 0 | 113.1 | ||||
| 46 | N | 53.3 | Low | 47.6 | Very low | 161 Ų | 161 | 147.7 Ų | 147.7 | 86% | 0.861 | 81% | 0.805 | S | S | * | * | trans | -170.1 | 154.3 | 131.9 | -100 | -19.4 | 0 | 0 | 0 | 115.4 | ||||
| 47 | E | 48.3 | Very low | 48 | Very low | 178 Ų | 178 | 146.1 Ų | 146.1 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | -79 | 153.5 | -161.7 | -67.8 | 172.5 | 128.2 | 0 | 0 | 116.1 | ||||
| 48 | A | 38.2 | Very low | 48.1 | Very low | 99 Ų | 99 | 138.5 Ų | 138.5 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | 39 | 113 | 143.5 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 49 | A | 45.9 | Very low | 48.7 | Very low | 91 Ų | 91 | 135.8 Ų | 135.8 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | trans | -140.6 | 118.1 | 142.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 50 | Q | 44.6 | Very low | 49.2 | Very low | 186 Ų | 186 | 133.9 Ų | 133.9 | 87% | 0.869 | 76% | 0.756 | S | S | * | * | trans | -71.3 | 130.7 | 172.5 | -65.1 | 169.7 | -34.1 | 0 | 0 | 108.6 | ||||
| 51 | N | 51.3 | Low | 49.7 | Very low | 158 Ų | 158 | 131.1 Ų | 131.1 | 85% | 0.845 | 75% | 0.75 | S | S | * | * | trans | -145.4 | 112.4 | 160.7 | -82 | -40.8 | 0 | 0 | 0 | 109.2 | ||||
| 52 | E | 41.7 | Very low | 50.7 | Low | 203 Ų | 203 | 125.3 Ų | 125.3 | 95% | 0.949 | 73% | 0.731 | S | S | * | * | trans | -57.4 | 124.8 | 168.1 | -66.2 | -92.8 | 142 | 0 | 0 | 109.8 | ||||
| 53 | A | 48.9 | Very low | 51.7 | Low | 61 Ų | 61 | 122.6 Ų | 122.6 | 50% | 0.504 | 72% | 0.717 | S | S | . | * | trans | -149.1 | 98.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 54 | D | 45 | Very low | 53.6 | Low | 145 Ų | 145 | 124.2 Ų | 124.2 | 78% | 0.775 | 72% | 0.717 | S | S | * | * | trans | 42 | 92 | 149.4 | -58.8 | -26.3 | 0 | 0 | 0 | 119.2 | S56 | D54-S56 PolarHBondContact O-N 3.38Å; D54-S56 VanDerWaalsContact O-N 3.08Å | ||
| 55 | D | 52.6 | Low | 54.9 | Low | 119 Ų | 119 | 122.1 Ų | 122.1 | 64% | 0.636 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | 18 | 178.2 | -89.2 | -22.7 | 0 | 0 | 0 | 116.3 | K59 | D55-K59 VanDerWaalsContact O-CD 3.24Å; D55-K59 WeakPolarHBondContact O-CD 3.38Å; D55-K59 WeakPolarHBondContact O-CE 3.01Å; D55-K59 WeakPolarHBondContact O-CG 3.5Å |
| 56 | S | 56.7 | Low | 56.6 | Low | 97 Ų | 97 | 118.6 Ų | 118.6 | 68% | 0.678 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -32.1 | -174.1 | 76.6 | 0 | 0 | 0 | 0 | 113.8 | D54 | D54-S56 PolarHBondContact O-N 3.38Å; D54-S56 VanDerWaalsContact O-N 3.08Å |
| 57 | S | 55.8 | Low | 57.9 | Low | 95 Ų | 95 | 115.5 Ų | 115.5 | 66% | 0.664 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -79.6 | -29.5 | -173.2 | 65.8 | 0 | 0 | 0 | 0 | 113.9 | ||
| 58 | G | 54 | Low | 59.7 | Low | 37 Ų | 37 | 109.3 Ų | 109.3 | 38% | 0.381 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -77.4 | -20.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | A60 L61 T62 | G58-A60 PolarHBondContact O-N 3.45Å; G58-L61 PolarHBondContact O-N 3.23Å; G58-T62 PolarHBondContact O-N 3.25Å; G58-T62 PolarHBondContact O-OG1 2.98Å; G58-T62 VanDerWaalsContact O-OG1 3.12Å |
| 59 | K | 57.4 | Low | 61.9 | Low | 139 Ų | 139 | 107.2 Ų | 107.2 | 60% | 0.604 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -69.9 | -30 | -173 | -73.9 | 172.1 | -177.6 | 169 | 0 | 113.5 | D55 S63 | D55-K59 VanDerWaalsContact O-CD 3.24Å; D55-K59 WeakPolarHBondContact O-CD 3.38Å; D55-K59 WeakPolarHBondContact O-CE 3.01Å; D55-K59 WeakPolarHBondContact O-CG 3.5Å; K59-S63 PolarHBondContact O-N 3.31Å |
| 60 | A | 61.5 | Low | 63.5 | Low | 77 Ų | 77 | 106.2 Ų | 106.2 | 64% | 0.636 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -70.3 | -40.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | G58 S63 | G58-A60 PolarHBondContact O-N 3.45Å; A60-S63 PolarHBondContact O-OG 3.07Å |
| 61 | L | 57.9 | Low | 65.3 | Low | 149 Ų | 149 | 104.5 Ų | 104.5 | 78% | 0.78 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -73 | -27.8 | -178.9 | -83.6 | 163.3 | 0 | 0 | 0 | 113.2 | G58 | G58-L61 PolarHBondContact O-N 3.23Å |
| 62 | T | 63 | Low | 66.8 | Low | 72 Ų | 72 | 105.4 Ų | 105.4 | 44% | 0.442 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -93.7 | -4.3 | -177.5 | 57 | 0 | 0 | 0 | 0 | 114.2 | G58 F64 L65 | G58-T62 PolarHBondContact O-N 3.25Å; G58-T62 PolarHBondContact O-OG1 2.98Å; G58-T62 VanDerWaalsContact O-OG1 3.12Å; T62-F64 PolarHBondContact O-N 3.08Å; T62-F64 VanDerWaalsContact O-N 3.11Å; T62-L65 PolarHBondContact O-N 3.35Å |
| 63 | S | 69.8 | Low | 68.3 | Low | 82 Ų | 82 | 100 Ų | 100 | 57% | 0.573 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59 | -25 | -175 | 60.3 | 0 | 0 | 0 | 0 | 115.4 | K59 A60 | K59-S63 PolarHBondContact O-N 3.31Å; A60-S63 PolarHBondContact O-OG 3.07Å |
| 64 | F | 79.1 | Confident | 69.5 | Low | 191 Ų | 191 | 100.6 Ų | 100.6 | 84% | 0.838 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -13.8 | 177.2 | -66.6 | -78.2 | 0 | 0 | 0 | 114.1 | T62 | T62-F64 PolarHBondContact O-N 3.08Å; T62-F64 VanDerWaalsContact O-N 3.11Å |
| 65 | L | 78.5 | Confident | 71 | Confident | 74 Ų | 74 | 97.8 Ų | 97.8 | 39% | 0.387 | 57% | 0.566 | S | S | . | * | trans | -87.7 | 125.5 | -176.3 | -65 | 173.7 | 0 | 0 | 0 | 109.6 | T62 D69 V70 L73 | T62-L65 PolarHBondContact O-N 3.35Å; L65-D69 HydrophobicContact CB-CB 4.25Å; L65-D69 HydrophobicContact CD2-CB 3.99Å; L65-V70 HydrophobicContact CB-CG2 3.93Å; L65-V70 HydrophobicContact CD1-CG2 4.47Å; L65-L73 HydrophobicContact CD1-CD1 4.06Å; L65-L73 HydrophobicContact CD2-CD1 4.2Å | ||
| 66 | T | 84.3 | Confident | 72.2 | Confident | 77 Ų | 77 | 100.4 Ų | 100.4 | 47% | 0.472 | 57% | 0.572 | S | S | . | * | trans | -68.9 | 159.7 | 169.7 | 68.7 | 0 | 0 | 0 | 0 | 110 | A68 D69 V70 | T66-A68 PolarHBondContact O-N 3.02Å; T66-A68 VanDerWaalsContact O-N 3.13Å; T66-D69 WeakPolarHBondContact CB-OD2 3.41Å; T66-D69 PolarHBondContact N-OD2 2.63Å; T66-D69 WeakPolarHBondContact O-CB 3.18Å; T66-D69 PolarHBondContact O-N 3.25Å; T66-D69 PolarHBondContact OG1-N 3.41Å; T66-D69 PolarHBondContact OG1-OD2 3.29Å; T66-V70 PolarHBondContact O-N 2.92Å | ||
| 67 | S | 82.3 | Confident | 72.7 | Confident | 95 Ų | 95 | 101.1 Ų | 101.1 | 66% | 0.664 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -57.8 | -28.1 | 175 | 63.4 | 0 | 0 | 0 | 0 | 112.6 | K71 | S67-K71 WeakPolarHBondContact O-CG 3.01Å; S67-K71 PolarHBondContact O-N 3.35Å |
| 68 | A | 84.9 | Confident | 73.2 | Confident | 48 Ų | 48 | 102.9 Ų | 102.9 | 40% | 0.397 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -70.8 | -38.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112.3 | T66 K71 R72 | T66-A68 PolarHBondContact O-N 3.02Å; T66-A68 VanDerWaalsContact O-N 3.13Å; A68-K71 PolarHBondContact O-N 3.5Å; A68-R72 WeakPolarHBondContact O-CB 3.43Å; A68-R72 WeakPolarHBondContact O-CG 3.39Å; A68-R72 PolarHBondContact O-N 3.43Å |
| 69 | D | 84.7 | Confident | 73.4 | Confident | 55 Ų | 55 | 105.6 Ų | 105.6 | 29% | 0.294 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -66.9 | -43.1 | 177.2 | -59.8 | -43.8 | 0 | 0 | 0 | 111.3 | L65 T66 K71 R72 L73 | L65-D69 HydrophobicContact CB-CB 4.25Å; L65-D69 HydrophobicContact CD2-CB 3.99Å; T66-D69 WeakPolarHBondContact CB-OD2 3.41Å; T66-D69 PolarHBondContact N-OD2 2.63Å; T66-D69 WeakPolarHBondContact O-CB 3.18Å; T66-D69 PolarHBondContact O-N 3.25Å; T66-D69 PolarHBondContact OG1-N 3.41Å; T66-D69 PolarHBondContact OG1-OD2 3.29Å; D69-K71 VanDerWaalsContact C-N 3.3Å; D69-K71 PolarHBondContact O-N 2.9Å; D69-R72 PolarHBondContact O-N 2.86Å; D69-L73 WeakPolarHBondContact O-CB 3.5Å; D69-L73 VanDerWaalsContact O-CG 3.3Å; D69-L73 WeakPolarHBondContact O-CG 3.32Å; D69-L73 PolarHBondContact O-N 3.41Å |
| 70 | V | 80 | Confident | 73.8 | Confident | 71 Ų | 71 | 104.8 Ų | 104.8 | 43% | 0.43 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -59.4 | -43.2 | 174.8 | -179.9 | 0 | 0 | 0 | 0 | 110.6 | L65 T66 L73 S74 | L65-V70 HydrophobicContact CB-CG2 3.93Å; L65-V70 HydrophobicContact CD1-CG2 4.47Å; T66-V70 PolarHBondContact O-N 2.92Å; V70-L73 PolarHBondContact O-N 2.95Å; V70-S74 WeakPolarHBondContact O-CB 3.33Å; V70-S74 PolarHBondContact O-N 2.95Å; V70-S74 PolarHBondContact O-OG 2.87Å |
| 71 | K | 81.4 | Confident | 74 | Confident | 150 Ų | 150 | 106.4 Ų | 106.4 | 65% | 0.652 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -65.2 | -40.5 | 175.5 | -77.2 | 179 | -179 | -178.9 | 0 | 113.2 | S67 A68 D69 S74 A75 | S67-K71 WeakPolarHBondContact O-CG 3.01Å; S67-K71 PolarHBondContact O-N 3.35Å; A68-K71 PolarHBondContact O-N 3.5Å; D69-K71 VanDerWaalsContact C-N 3.3Å; D69-K71 PolarHBondContact O-N 2.9Å; K71-S74 WeakPolarHBondContact CA-OG 3.39Å; K71-S74 PolarHBondContact O-OG 3.36Å; K71-A75 WeakPolarHBondContact O-CB 3.35Å; K71-A75 PolarHBondContact O-N 3.18Å |
| 72 | R | 82.6 | Confident | 74.9 | Confident | 177 Ų | 177 | 101.5 Ų | 101.5 | 67% | 0.668 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -66.9 | -38.5 | 177.1 | -77.3 | 175.4 | 173.9 | -172.6 | -1.3 | 111.8 | A68 D69 K76 | A68-R72 WeakPolarHBondContact O-CB 3.43Å; A68-R72 WeakPolarHBondContact O-CG 3.39Å; A68-R72 PolarHBondContact O-N 3.43Å; D69-R72 PolarHBondContact O-N 2.86Å; R72-K76 WeakPolarHBondContact O-CG 3.3Å; R72-K76 PolarHBondContact O-N 3.44Å |
| 73 | L | 74.8 | Confident | 75.6 | Confident | 90 Ų | 90 | 107.2 Ų | 107.2 | 47% | 0.471 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -69.6 | -43.7 | 176.7 | -74.1 | 167.7 | 0 | 0 | 0 | 111.1 | L65 D69 V70 A75 K76 L77 | L65-L73 HydrophobicContact CD1-CD1 4.06Å; L65-L73 HydrophobicContact CD2-CD1 4.2Å; D69-L73 WeakPolarHBondContact O-CB 3.5Å; D69-L73 VanDerWaalsContact O-CG 3.3Å; D69-L73 WeakPolarHBondContact O-CG 3.32Å; D69-L73 PolarHBondContact O-N 3.41Å; V70-L73 PolarHBondContact O-N 2.95Å; L73-A75 VanDerWaalsContact C-N 3.28Å; L73-A75 PolarHBondContact O-N 3.22Å; L73-K76 PolarHBondContact O-N 2.9Å; L73-L77 PolarHBondContact O-N 3.03Å |
| 74 | S | 72.4 | Confident | 76 | Confident | 73 Ų | 73 | 106.6 Ų | 106.6 | 51% | 0.51 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.3 | -33.8 | 177.8 | 67.3 | 0 | 0 | 0 | 0 | 112.5 | V70 K71 K76 | V70-S74 WeakPolarHBondContact O-CB 3.33Å; V70-S74 PolarHBondContact O-N 2.95Å; V70-S74 PolarHBondContact O-OG 2.87Å; K71-S74 WeakPolarHBondContact CA-OG 3.39Å; K71-S74 PolarHBondContact O-OG 3.36Å; S74-K76 VanDerWaalsContact C-N 3.32Å; S74-K76 PolarHBondContact O-N 3.22Å |
| 75 | A | 76.9 | Confident | 76 | Confident | 85 Ų | 85 | 104.1 Ų | 104.1 | 70% | 0.702 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -71.5 | -20.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | K71 L73 | K71-A75 WeakPolarHBondContact O-CB 3.35Å; K71-A75 PolarHBondContact O-N 3.18Å; L73-A75 VanDerWaalsContact C-N 3.28Å; L73-A75 PolarHBondContact O-N 3.22Å |
| 76 | K | 77.4 | Confident | 76 | Confident | 174 Ų | 174 | 104.3 Ų | 104.3 | 76% | 0.757 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -89.2 | -14.9 | 179 | -76.8 | 178.4 | 178.3 | -178.8 | 0 | 113.6 | R72 L73 S74 | R72-K76 WeakPolarHBondContact O-CG 3.3Å; R72-K76 PolarHBondContact O-N 3.44Å; L73-K76 PolarHBondContact O-N 2.9Å; S74-K76 VanDerWaalsContact C-N 3.32Å; S74-K76 PolarHBondContact O-N 3.22Å |
| 77 | L | 67.1 | Low | 75.7 | Confident | 113 Ų | 113 | 103.4 Ų | 103.4 | 59% | 0.592 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -83.7 | 129.3 | 177.2 | -66.3 | 176.8 | 0 | 0 | 0 | 109 | L73 C79 | L73-L77 PolarHBondContact O-N 3.03Å; L77-C79 PolarHBondContact O-N 2.89Å |
| 78 | P | 68.1 | Low | 75.6 | Confident | 131 Ų | 131 | 103.4 Ų | 103.4 | 85% | 0.851 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -54.5 | -15.7 | -174 | -28.8 | 34 | 0 | 0 | 0 | 116.3 | ||
| 79 | C | 57.8 | Low | 75.4 | Confident | 94 Ų | 94 | 103.3 Ų | 103.3 | 64% | 0.635 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -171.8 | 156 | 161.8 | -90.5 | 0 | 0 | 0 | 0 | 106.3 | L77 L81 | L77-C79 PolarHBondContact O-N 2.89Å; C79-L81 VanDerWaalsContact C-N 3.31Å; C79-L81 PolarHBondContact O-N 3.41Å |
| 80 | P | 65.3 | Low | 75.2 | Confident | 123 Ų | 123 | 104.3 Ų | 104.3 | 80% | 0.799 | 57% | 0.568 | S | S | * | * | trans | -63.7 | 98 | 162.6 | 27.4 | -31 | 0 | 0 | 0 | 107.7 | S82 | P80-S82 PolarHBondContact O-N 3.36Š| ||
| 81 | L | 66 | Low | 75.2 | Confident | 111 Ų | 111 | 105.1 Ų | 105.1 | 58% | 0.581 | 58% | 0.576 | S | S | * | * | trans | -64.1 | 109.3 | 174.2 | -167.8 | 71.5 | 0 | 0 | 0 | 106.9 | C79 K85 L86 | C79-L81 VanDerWaalsContact C-N 3.31Å; C79-L81 PolarHBondContact O-N 3.41Å; L81-K85 HydrophobicContact CD1-CB 4.18Å; L81-L86 HydrophobicContact CD2-CB 3.83Å; L81-L86 HydrophobicContact CD2-CD1 3.75Å; L81-L86 HydrophobicContact CD2-CG 4.27Å; L81-L86 HydrophobicContact CG-CB 4.22Å | ||
| 82 | S | 77.4 | Confident | 75.4 | Confident | 45 Ų | 45 | 103.8 Ų | 103.8 | 32% | 0.315 | 58% | 0.576 | S | S | . | * | trans | -60.6 | 143.3 | 180 | 67 | 0 | 0 | 0 | 0 | 109.3 | P80 S84 K85 L86 | P80-S82 PolarHBondContact O-N 3.36Å; S82-S84 PolarHBondContact O-N 3.19Å; S82-S84 VanDerWaalsContact O-N 3.11Å; S82-S84 PolarHBondContact OG-OG 3.26Å; S82-K85 PolarHBondContact O-N 3.47Å; S82-K85 WeakPolarHBondContact OG-CB 3.38Å; S82-K85 VanDerWaalsContact OG-CG 3.25Å; S82-K85 WeakPolarHBondContact OG-CG 3.34Å; S82-K85 PolarHBondContact OG-N 3.08Å; S82-L86 PolarHBondContact O-N 3.19Å | ||
| 83 | R | 77.2 | Confident | 75.4 | Confident | 192 Ų | 192 | 98.2 Ų | 98.2 | 73% | 0.725 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -51.2 | -37.9 | 177.8 | -74.8 | -175.5 | 177.9 | 169.1 | 0.8 | 111.6 | L86 A87 | R83-L86 PolarHBondContact O-N 3.43Å; R83-A87 WeakPolarHBondContact O-CB 3.48Å; R83-A87 PolarHBondContact O-N 2.9Å |
| 84 | S | 77.6 | Confident | 76 | Confident | 69 Ų | 69 | 98.6 Ų | 98.6 | 48% | 0.483 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.5 | -47.9 | 175 | 52.4 | 0 | 0 | 0 | 0 | 113.2 | S82 L86 A87 I88 | S82-S84 PolarHBondContact O-N 3.19Å; S82-S84 VanDerWaalsContact O-N 3.11Å; S82-S84 PolarHBondContact OG-OG 3.26Å; S84-L86 VanDerWaalsContact C-N 3.31Å; S84-L86 PolarHBondContact O-N 2.91Å; S84-A87 PolarHBondContact O-N 3.48Å; S84-I88 WeakPolarHBondContact O-CD1 3.41Å; S84-I88 VanDerWaalsContact O-CG1 3.26Å; S84-I88 WeakPolarHBondContact O-CG1 3.46Å; S84-I88 PolarHBondContact O-N 3.32Å |
| 85 | K | 80.2 | Confident | 76.7 | Confident | 139 Ų | 139 | 99.4 Ų | 99.4 | 60% | 0.604 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -63.6 | -38.6 | 177.2 | -77 | 178.4 | -177.9 | -176.7 | 0 | 111.6 | L81 S82 A89 | L81-K85 HydrophobicContact CD1-CB 4.18Å; S82-K85 PolarHBondContact O-N 3.47Å; S82-K85 WeakPolarHBondContact OG-CB 3.38Å; S82-K85 VanDerWaalsContact OG-CG 3.25Å; S82-K85 WeakPolarHBondContact OG-CG 3.34Å; S82-K85 PolarHBondContact OG-N 3.08Å; K85-A89 VanDerWaalsContact O-CB 3.3Å; K85-A89 WeakPolarHBondContact O-CB 3.41Å; K85-A89 PolarHBondContact O-N 2.96Å |
| 86 | L | 78 | Confident | 77.3 | Confident | 79 Ų | 79 | 100.1 Ų | 100.1 | 41% | 0.414 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.1 | -44.2 | 174.5 | 179.7 | 61.4 | 0 | 0 | 0 | 111.3 | L81 S82 R83 S84 I88 A89 I90 | L81-L86 HydrophobicContact CD2-CB 3.83Å; L81-L86 HydrophobicContact CD2-CD1 3.75Å; L81-L86 HydrophobicContact CD2-CG 4.27Å; L81-L86 HydrophobicContact CG-CB 4.22Å; S82-L86 PolarHBondContact O-N 3.19Å; R83-L86 PolarHBondContact O-N 3.43Å; S84-L86 VanDerWaalsContact C-N 3.31Å; S84-L86 PolarHBondContact O-N 2.91Å; L86-I88 PolarHBondContact O-N 3.48Å; L86-A89 PolarHBondContact O-N 3.41Å; L86-I90 HydrophobicContact CD1-CD1 3.88Å; L86-I90 HydrophobicContact CD1-CG1 4.13Å; L86-I90 HydrophobicContact CD2-CD1 4.46Å; L86-I90 HydrophobicContact CG-CD1 3.78Å; L86-I90 HydrophobicContact CG-CG1 4.41Å; L86-I90 WeakPolarHBondContact O-CB 3.42Å; L86-I90 WeakPolarHBondContact O-CG1 3.49Å; L86-I90 PolarHBondContact O-N 3.41Å |
| 87 | A | 77 | Confident | 77.8 | Confident | 57 Ų | 57 | 98 Ų | 98 | 47% | 0.471 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.5 | -43.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | R83 S84 I90 S91 | R83-A87 WeakPolarHBondContact O-CB 3.48Å; R83-A87 PolarHBondContact O-N 2.9Å; S84-A87 PolarHBondContact O-N 3.48Å; A87-I90 PolarHBondContact O-N 3.26Å; A87-S91 PolarHBondContact O-N 2.85Å; A87-S91 PolarHBondContact O-OG 2.93Å |
| 88 | I | 81 | Confident | 78.7 | Confident | 96 Ų | 96 | 94.4 Ų | 94.4 | 49% | 0.492 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.9 | -48.7 | 174.9 | -65.1 | 162.4 | 0 | 0 | 0 | 110.3 | S84 L86 I90 S91 D92 | S84-I88 WeakPolarHBondContact O-CD1 3.41Å; S84-I88 VanDerWaalsContact O-CG1 3.26Å; S84-I88 WeakPolarHBondContact O-CG1 3.46Å; S84-I88 PolarHBondContact O-N 3.32Å; L86-I88 PolarHBondContact O-N 3.48Å; I88-I90 VanDerWaalsContact C-N 3.25Å; I88-I90 PolarHBondContact O-N 3.43Å; I88-S91 WeakPolarHBondContact CA-OG 3.37Å; I88-S91 PolarHBondContact O-N 3.09Å; I88-S91 PolarHBondContact O-OG 3.42Å; I88-D92 WeakPolarHBondContact O-CB 3.43Å; I88-D92 PolarHBondContact O-N 3.17Å |
| 89 | A | 81.1 | Confident | 79.7 | Confident | 45 Ų | 45 | 90.9 Ų | 90.9 | 37% | 0.372 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.7 | -39.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | K85 L86 D92 L93 | K85-A89 VanDerWaalsContact O-CB 3.3Å; K85-A89 WeakPolarHBondContact O-CB 3.41Å; K85-A89 PolarHBondContact O-N 2.96Å; L86-A89 PolarHBondContact O-N 3.41Å; A89-D92 PolarHBondContact O-N 2.95Å; A89-L93 WeakPolarHBondContact O-CD1 3.45Å; A89-L93 PolarHBondContact O-N 3.37Å |
| 90 | I | 80.6 | Confident | 81.3 | Confident | 77 Ų | 77 | 91.6 Ų | 91.6 | 40% | 0.395 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.2 | -38.8 | 176 | -69.5 | 169 | 0 | 0 | 0 | 111.5 | L86 A87 I88 D92 L93 M98 | L86-I90 HydrophobicContact CD1-CD1 3.88Å; L86-I90 HydrophobicContact CD1-CG1 4.13Å; L86-I90 HydrophobicContact CD2-CD1 4.46Å; L86-I90 HydrophobicContact CG-CD1 3.78Å; L86-I90 HydrophobicContact CG-CG1 4.41Å; L86-I90 WeakPolarHBondContact O-CB 3.42Å; L86-I90 WeakPolarHBondContact O-CG1 3.49Å; L86-I90 PolarHBondContact O-N 3.41Å; A87-I90 PolarHBondContact O-N 3.26Å; I88-I90 VanDerWaalsContact C-N 3.25Å; I88-I90 PolarHBondContact O-N 3.43Å; I90-D92 VanDerWaalsContact C-N 3.3Å; I90-L93 WeakPolarHBondContact O-CB 3.36Å; I90-L93 PolarHBondContact O-N 3.03Å; I90-M98 HydrophobicContact CG2-CE 3.94Å; I90-M98 HydrophobicContact CG2-SD 3.66Å |
| 91 | S | 80.4 | Confident | 82.4 | Confident | 87 Ų | 87 | 90.5 Ų | 90.5 | 61% | 0.608 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -69.6 | -28.9 | 176.4 | 57.4 | 0 | 0 | 0 | 0 | 113.1 | A87 I88 L93 | A87-S91 PolarHBondContact O-N 2.85Å; A87-S91 PolarHBondContact O-OG 2.93Å; I88-S91 WeakPolarHBondContact CA-OG 3.37Å; I88-S91 PolarHBondContact O-N 3.09Å; I88-S91 PolarHBondContact O-OG 3.42Å; S91-L93 PolarHBondContact O-N 2.93Å |
| 92 | D | 85.2 | Confident | 83.6 | Confident | 123 Ų | 123 | 93.9 Ų | 93.9 | 66% | 0.658 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -10 | 177.7 | -64.1 | -14.3 | 0 | 0 | 0 | 112.6 | I88 A89 I90 | I88-D92 WeakPolarHBondContact O-CB 3.43Å; I88-D92 PolarHBondContact O-N 3.17Å; A89-D92 PolarHBondContact O-N 2.95Å; I90-D92 VanDerWaalsContact C-N 3.3Å |
| 93 | L | 82.9 | Confident | 84.3 | Confident | 59 Ų | 59 | 93.7 Ų | 93.7 | 31% | 0.309 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -70.3 | 136.7 | 176.5 | -104 | 74.6 | 0 | 0 | 0 | 111 | A89 I90 S91 K97 M98 F101 | A89-L93 WeakPolarHBondContact O-CD1 3.45Å; A89-L93 PolarHBondContact O-N 3.37Å; I90-L93 WeakPolarHBondContact O-CB 3.36Å; I90-L93 PolarHBondContact O-N 3.03Å; S91-L93 PolarHBondContact O-N 2.93Å; L93-K97 HydrophobicContact CD2-CB 4.13Å; L93-K97 HydrophobicContact CD2-CD 4.48Å; L93-K97 HydrophobicContact CG-CD 4.44Å; L93-M98 HydrophobicContact CB-CE 3.58Å; L93-M98 HydrophobicContact CB-CG 4.21Å; L93-M98 HydrophobicContact CD2-CE 3.3Å; L93-M98 HydrophobicContact CG-CE 4.03Å; L93-F101 HydrophobicContact CD2-CD2 3.98Å; L93-F101 HydrophobicContact CD2-CE2 3.43Å; L93-F101 VanDerWaalsContact CD2-CE2 3.43Å; L93-F101 HydrophobicContact CD2-CZ 4.45Å |
| 94 | H | 85.7 | Confident | 85.2 | Confident | 99 Ų | 99 | 89.4 Ų | 89.4 | 46% | 0.458 | 48% | 0.477 | S | S | . | . | trans | -50.9 | 138.6 | 174.8 | -165.5 | -91.7 | 0 | 0 | 0 | 111.2 | D96 K97 M98 | H94-D96 VanDerWaalsContact CE1-CG 3.4Å; H94-D96 IonicContact CE1-OD1 3.67Å; H94-D96 IonicContact CE1-OD2 3.27Å; H94-D96 PolarHBondContact CE1-OD2 3.05Å; H94-D96 WeakPolarHBondContact ND1-CB 3.37Å; H94-D96 VanDerWaalsContact ND1-CG 3.31Å; H94-D96 PolarHBondContact ND1-N 2.94Å; H94-D96 IonicContact ND1-OD1 3.69Å; H94-D96 IonicContact ND1-OD2 2.8Å; H94-D96 PolarHBondContact ND1-OD2 3.23Å; H94-D96 PolarHBondContact O-N 2.63Å; H94-D96 VanDerWaalsContact O-N 3.1Å; H94-K97 HydrophobicContact CB-CD 4.49Å; H94-K97 HydrophobicContact CB-CG 4.37Å; H94-K97 WeakPolarHBondContact O-CB 3.49Å; H94-K97 PolarHBondContact O-N 2.93Å; H94-M98 PolarHBondContact O-N 3.06Å; H94-M98 VanDerWaalsContact O-N 3.13Å | ||
| 95 | P | 88.9 | Confident | 85.9 | Confident | 89 Ų | 89 | 91.8 Ų | 91.8 | 58% | 0.578 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -53.4 | -35.7 | -177.5 | 19.3 | -33.6 | 0 | 0 | 0 | 113.2 | K97 M98 A99 | P95-K97 VanDerWaalsContact C-N 3.35Å; P95-K97 PolarHBondContact O-N 3.13Å; P95-M98 WeakPolarHBondContact O-CB 3.36Å; P95-M98 PolarHBondContact O-N 2.71Å; P95-A99 PolarHBondContact O-N 2.98Å |
| 96 | D | 88.3 | Confident | 86.7 | Confident | 101 Ų | 101 | 88.7 Ų | 88.7 | 54% | 0.54 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.4 | -38.7 | 176.7 | -57.2 | -11.7 | 0 | 0 | 0 | 112.8 | H94 M98 A99 L100 | H94-D96 VanDerWaalsContact CE1-CG 3.4Å; H94-D96 IonicContact CE1-OD1 3.67Å; H94-D96 IonicContact CE1-OD2 3.27Å; H94-D96 PolarHBondContact CE1-OD2 3.05Å; H94-D96 WeakPolarHBondContact ND1-CB 3.37Å; H94-D96 VanDerWaalsContact ND1-CG 3.31Å; H94-D96 PolarHBondContact ND1-N 2.94Å; H94-D96 IonicContact ND1-OD1 3.69Å; H94-D96 IonicContact ND1-OD2 2.8Å; H94-D96 PolarHBondContact ND1-OD2 3.23Å; H94-D96 PolarHBondContact O-N 2.63Å; H94-D96 VanDerWaalsContact O-N 3.1Å; D96-M98 VanDerWaalsContact C-N 3.35Å; D96-A99 PolarHBondContact O-N 3.42Å; D96-L100 PolarHBondContact O-N 3.08Å; D96-L100 VanDerWaalsContact O-N 3.07Å |
| 97 | K | 88.3 | Confident | 87.5 | Confident | 128 Ų | 128 | 90.7 Ų | 90.7 | 56% | 0.557 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -67.2 | -41.3 | 175.4 | -66.3 | -177.8 | 179.8 | 177.2 | 0 | 110 | L93 H94 P95 A99 L100 F101 | L93-K97 HydrophobicContact CD2-CB 4.13Å; L93-K97 HydrophobicContact CD2-CD 4.48Å; L93-K97 HydrophobicContact CG-CD 4.44Å; H94-K97 HydrophobicContact CB-CD 4.49Å; H94-K97 HydrophobicContact CB-CG 4.37Å; H94-K97 WeakPolarHBondContact O-CB 3.49Å; H94-K97 PolarHBondContact O-N 2.93Å; P95-K97 VanDerWaalsContact C-N 3.35Å; P95-K97 PolarHBondContact O-N 3.13Å; K97-A99 VanDerWaalsContact C-N 3.33Å; K97-A99 PolarHBondContact O-N 3.35Å; K97-L100 PolarHBondContact O-N 3.44Å; K97-F101 HydrophobicContact CB-CE2 4.3Å; K97-F101 WeakPolarHBondContact O-CD2 3.44Å; K97-F101 PolarHBondContact O-N 3.29Å |
| 98 | M | 86.4 | Confident | 88.4 | Confident | 38 Ų | 38 | 92 Ų | 92 | 19% | 0.187 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -60.9 | -40.5 | 175.1 | -77.9 | -64.4 | 105 | 0 | 0 | 112.4 | I90 L93 H94 P95 D96 F101 R102 | I90-M98 HydrophobicContact CG2-CE 3.94Å; I90-M98 HydrophobicContact CG2-SD 3.66Å; L93-M98 HydrophobicContact CB-CE 3.58Å; L93-M98 HydrophobicContact CB-CG 4.21Å; L93-M98 HydrophobicContact CD2-CE 3.3Å; L93-M98 HydrophobicContact CG-CE 4.03Å; H94-M98 PolarHBondContact O-N 3.06Å; H94-M98 VanDerWaalsContact O-N 3.13Å; P95-M98 WeakPolarHBondContact O-CB 3.36Å; P95-M98 PolarHBondContact O-N 2.71Å; D96-M98 VanDerWaalsContact C-N 3.35Å; M98-F101 HydrophobicContact CE-CD2 3.66Å; M98-F101 HydrophobicContact CE-CE2 4.3Å; M98-F101 PolarHBondContact O-N 2.97Å; M98-R102 WeakPolarHBondContact O-CG 3.09Å; M98-R102 PolarHBondContact O-N 3.19Å |
| 99 | A | 89.4 | Confident | 89.1 | Confident | 58 Ų | 58 | 90.2 Ų | 90.2 | 48% | 0.479 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61 | -47.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | P95 D96 K97 F101 R102 E103 | P95-A99 PolarHBondContact O-N 2.98Å; D96-A99 PolarHBondContact O-N 3.42Å; K97-A99 VanDerWaalsContact C-N 3.33Å; K97-A99 PolarHBondContact O-N 3.35Å; A99-F101 PolarHBondContact O-N 3.45Å; A99-R102 PolarHBondContact O-N 2.98Å; A99-E103 WeakPolarHBondContact O-CB 3.32Å; A99-E103 PolarHBondContact O-N 3.38Å |
| 100 | L | 90.5 | Very high | 89.8 | Confident | 108 Ų | 108 | 91.1 Ų | 91.1 | 57% | 0.565 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -60.3 | -41.8 | 177 | -175.8 | 67 | 0 | 0 | 0 | 112.5 | D96 K97 E103 L104 | D96-L100 PolarHBondContact O-N 3.08Å; D96-L100 VanDerWaalsContact O-N 3.07Å; K97-L100 PolarHBondContact O-N 3.44Å; L100-E103 PolarHBondContact O-N 3.45Å; L100-L104 WeakPolarHBondContact O-CB 3.33Å; L100-L104 PolarHBondContact O-N 2.84Å |
| 101 | F | 88.9 | Confident | 90.6 | Very high | 100 Ų | 100 | 93.4 Ų | 93.4 | 44% | 0.439 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.7 | -39.5 | 176.8 | -75.3 | -58.8 | 0 | 0 | 0 | 112.6 | L93 K97 M98 A99 L104 L105 | L93-F101 HydrophobicContact CD2-CD2 3.98Å; L93-F101 HydrophobicContact CD2-CE2 3.43Å; L93-F101 VanDerWaalsContact CD2-CE2 3.43Å; L93-F101 HydrophobicContact CD2-CZ 4.45Å; K97-F101 HydrophobicContact CB-CE2 4.3Å; K97-F101 WeakPolarHBondContact O-CD2 3.44Å; K97-F101 PolarHBondContact O-N 3.29Å; M98-F101 HydrophobicContact CE-CD2 3.66Å; M98-F101 HydrophobicContact CE-CE2 4.3Å; M98-F101 PolarHBondContact O-N 2.97Å; A99-F101 PolarHBondContact O-N 3.45Å; F101-L104 PolarHBondContact O-N 3.48Å; F101-L105 WeakPolarHBondContact O-CG 3.14Å; F101-L105 PolarHBondContact O-N 3.39Å |
| 102 | R | 90.6 | Very high | 91.3 | Very high | 183 Ų | 183 | 92.2 Ų | 92.2 | 69% | 0.691 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64 | -42.9 | 175.5 | -72.2 | 175.8 | -171.4 | -81.1 | -0.4 | 111.6 | M98 A99 L105 S106 | M98-R102 WeakPolarHBondContact O-CG 3.09Å; M98-R102 PolarHBondContact O-N 3.19Å; A99-R102 PolarHBondContact O-N 2.98Å; R102-L105 PolarHBondContact O-N 2.87Å; R102-S106 PolarHBondContact O-N 3.49Å |
| 103 | E | 93.2 | Very high | 91.9 | Very high | 40 Ų | 40 | 91.8 Ų | 91.8 | 19% | 0.187 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -60.6 | -46.3 | 174.7 | -172.2 | -168.6 | 170.4 | 0 | 0 | 111.2 | F27 A99 L100 L105 S106 R107 | F27-E103 WeakPolarHBondContact CD1-OE1 3.36Å; F27-E103 HydrophobicContact CE1-CG 4.42Å; F27-E103 WeakPolarHBondContact CE1-OE1 3.26Å; A99-E103 WeakPolarHBondContact O-CB 3.32Å; A99-E103 PolarHBondContact O-N 3.38Å; L100-E103 PolarHBondContact O-N 3.45Å; E103-L105 PolarHBondContact O-N 3.26Å; E103-S106 WeakPolarHBondContact O-CB 3.43Å; E103-S106 PolarHBondContact O-N 3.42Å; E103-R107 WeakPolarHBondContact O-CG 3.3Å; E103-R107 PolarHBondContact O-N 3.47Å; E103-R107 IonicContact OE1-CZ 3.25Å; E103-R107 VanDerWaalsContact OE1-CZ 3.29Å; E103-R107 IonicContact OE1-NE 3.76Å; E103-R107 PolarHBondContact OE1-NE 3.42Å; E103-R107 IonicContact OE1-NH2 3.04Å; E103-R107 PolarHBondContact OE1-NH2 3.47Å |
| 104 | L | 95.1 | Very high | 92.6 | Very high | 102 Ų | 102 | 94.2 Ų | 94.2 | 53% | 0.534 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.1 | -43.5 | 176.9 | -177.9 | 62.1 | 0 | 0 | 0 | 112.2 | L100 F101 S106 R107 L108 | L100-L104 WeakPolarHBondContact O-CB 3.33Å; L100-L104 PolarHBondContact O-N 2.84Å; F101-L104 PolarHBondContact O-N 3.48Å; L104-S106 VanDerWaalsContact C-N 3.34Å; L104-S106 PolarHBondContact O-N 3.03Å; L104-R107 PolarHBondContact O-N 3.13Å; L104-L108 WeakPolarHBondContact O-CB 3.49Å; L104-L108 PolarHBondContact O-N 3.21Å |
| 105 | L | 93 | Very high | 93.1 | Very high | 119 Ų | 119 | 97.4 Ų | 97.4 | 62% | 0.623 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.2 | -41.3 | 175.3 | -73.6 | 171.7 | 0 | 0 | 0 | 111.8 | F101 R102 E103 L108 S109 | F101-L105 WeakPolarHBondContact O-CG 3.14Å; F101-L105 PolarHBondContact O-N 3.39Å; R102-L105 PolarHBondContact O-N 2.87Å; E103-L105 PolarHBondContact O-N 3.26Å; L105-L108 PolarHBondContact O-N 3.33Å; L105-S109 PolarHBondContact O-N 3.05Å |
| 106 | S | 95.7 | Very high | 93.4 | Very high | 74 Ų | 74 | 97.3 Ų | 97.3 | 52% | 0.517 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.4 | -47.1 | 175.1 | -179.3 | 0 | 0 | 0 | 0 | 111.5 | R102 E103 L104 L108 S109 V110 | R102-S106 PolarHBondContact O-N 3.49Å; E103-S106 WeakPolarHBondContact O-CB 3.43Å; E103-S106 PolarHBondContact O-N 3.42Å; L104-S106 VanDerWaalsContact C-N 3.34Å; L104-S106 PolarHBondContact O-N 3.03Å; S106-L108 VanDerWaalsContact C-N 3.34Å; S106-L108 PolarHBondContact O-N 2.93Å; S106-S109 WeakPolarHBondContact O-CB 3.24Å; S106-S109 PolarHBondContact O-N 3.44Å; S106-S109 VanDerWaalsContact O-N 3.17Å; S106-V110 WeakPolarHBondContact O-CG2 3.39Å; S106-V110 PolarHBondContact O-N 3.12Å; S106-V110 VanDerWaalsContact O-N 3.09Å |
| 107 | R | 96.2 | Very high | 93.7 | Very high | 122 Ų | 122 | 96 Ų | 96 | 46% | 0.46 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -58.9 | -43.9 | 175.8 | -70.4 | -179.7 | -173.5 | -168.5 | 4.3 | 111.9 | F27 E103 L104 S109 V110 E111 | F27-R107 VanDerWaalsContact CE1-CZ 3.46Å; E103-R107 WeakPolarHBondContact O-CG 3.3Å; E103-R107 PolarHBondContact O-N 3.47Å; E103-R107 IonicContact OE1-CZ 3.25Å; E103-R107 VanDerWaalsContact OE1-CZ 3.29Å; E103-R107 IonicContact OE1-NE 3.76Å; E103-R107 PolarHBondContact OE1-NE 3.42Å; E103-R107 IonicContact OE1-NH2 3.04Å; E103-R107 PolarHBondContact OE1-NH2 3.47Å; L104-R107 PolarHBondContact O-N 3.13Å; R107-S109 VanDerWaalsContact C-N 3.31Å; R107-S109 PolarHBondContact O-N 3.08Å; R107-V110 PolarHBondContact O-N 2.98Å; R107-E111 WeakPolarHBondContact O-CB 3.4Å; R107-E111 PolarHBondContact O-N 3.11Å |
| 108 | L | 95.5 | Very high | 94.1 | Very high | 84 Ų | 84 | 92.6 Ų | 92.6 | 44% | 0.44 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.7 | -36 | 178.1 | -173.4 | 65.9 | 0 | 0 | 0 | 112.2 | L104 L105 S106 N112 | L104-L108 WeakPolarHBondContact O-CB 3.49Å; L104-L108 PolarHBondContact O-N 3.21Å; L105-L108 PolarHBondContact O-N 3.33Å; S106-L108 VanDerWaalsContact C-N 3.34Å; S106-L108 PolarHBondContact O-N 2.93Å; L108-N112 WeakPolarHBondContact O-CB 3.48Å; L108-N112 PolarHBondContact O-N 3.37Å; L108-N112 PolarHBondContact O-ND2 3.45Å |
| 109 | S | 94.7 | Very high | 94.6 | Very high | 59 Ų | 59 | 94.8 Ų | 94.8 | 41% | 0.413 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.4 | -50.9 | 172.9 | -165.8 | 0 | 0 | 0 | 0 | 111.1 | L105 S106 R107 E111 N112 E113 | L105-S109 PolarHBondContact O-N 3.05Å; S106-S109 WeakPolarHBondContact O-CB 3.24Å; S106-S109 PolarHBondContact O-N 3.44Å; S106-S109 VanDerWaalsContact O-N 3.17Å; R107-S109 VanDerWaalsContact C-N 3.31Å; R107-S109 PolarHBondContact O-N 3.08Å; S109-E111 PolarHBondContact O-N 2.8Å; S109-N112 WeakPolarHBondContact O-CB 3.18Å; S109-N112 PolarHBondContact O-N 3.49Å; S109-E113 WeakPolarHBondContact O-CG 3.41Å; S109-E113 PolarHBondContact O-N 3.43Å; S109-E113 PolarHBondContact OG-OE1 3.13Å |
| 110 | V | 97.1 | Very high | 94.8 | Very high | 64 Ų | 64 | 98.4 Ų | 98.4 | 39% | 0.388 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.3 | -43 | -179.9 | 175.6 | 0 | 0 | 0 | 0 | 111.3 | S106 R107 N112 E113 L114 | S106-V110 WeakPolarHBondContact O-CG2 3.39Å; S106-V110 PolarHBondContact O-N 3.12Å; S106-V110 VanDerWaalsContact O-N 3.09Å; R107-V110 PolarHBondContact O-N 2.98Å; V110-N112 VanDerWaalsContact C-N 3.33Å; V110-N112 PolarHBondContact O-N 2.86Å; V110-E113 PolarHBondContact O-N 3.28Å; V110-L114 HydrophobicContact CG1-CD1 3.93Å; V110-L114 HydrophobicContact CG1-CG 4.22Å; V110-L114 WeakPolarHBondContact O-CB 3.3Å; V110-L114 VanDerWaalsContact O-CG 3.32Å; V110-L114 WeakPolarHBondContact O-CG 3.45Å; V110-L114 PolarHBondContact O-N 3.39Å |
| 111 | E | 96.9 | Very high | 95.1 | Very high | 125 Ų | 125 | 97.3 Ų | 97.3 | 58% | 0.584 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -58.7 | -44.5 | 175.8 | -175.4 | -173.9 | 174.4 | 0 | 0 | 111.7 | R107 S109 E113 L114 R115 | R107-E111 WeakPolarHBondContact O-CB 3.4Å; R107-E111 PolarHBondContact O-N 3.11Å; S109-E111 PolarHBondContact O-N 2.8Å; E111-E113 PolarHBondContact O-N 2.93Å; E111-L114 PolarHBondContact O-N 3.5Å; E111-R115 VanDerWaalsContact O-CB 3.3Å; E111-R115 WeakPolarHBondContact O-CB 3.37Å; E111-R115 PolarHBondContact O-N 3.43Å |
| 112 | N | 95.8 | Very high | 95.4 | Very high | 62 Ų | 62 | 98.3 Ų | 98.3 | 33% | 0.332 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.4 | -42.3 | 177.6 | -81.2 | -47.9 | 0 | 0 | 0 | 112.1 | L108 S109 V110 R115 I116 | L108-N112 WeakPolarHBondContact O-CB 3.48Å; L108-N112 PolarHBondContact O-N 3.37Å; L108-N112 PolarHBondContact O-ND2 3.45Å; S109-N112 WeakPolarHBondContact O-CB 3.18Å; S109-N112 PolarHBondContact O-N 3.49Å; V110-N112 VanDerWaalsContact C-N 3.33Å; V110-N112 PolarHBondContact O-N 2.86Å; N112-R115 PolarHBondContact O-N 2.99Å; N112-I116 WeakPolarHBondContact O-CG1 3.45Å; N112-I116 PolarHBondContact O-N 3.19Å; N112-I116 VanDerWaalsContact O-N 3.13Å |
| 113 | E | 96.7 | Very high | 95.5 | Very high | 114 Ų | 114 | 92.2 Ų | 92.2 | 53% | 0.533 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.2 | -48.5 | 175.5 | -71.3 | 171 | -155.7 | 0 | 0 | 111.5 | S109 V110 E111 R115 I116 V117 | S109-E113 WeakPolarHBondContact O-CG 3.41Å; S109-E113 PolarHBondContact O-N 3.43Å; S109-E113 PolarHBondContact OG-OE1 3.13Å; V110-E113 PolarHBondContact O-N 3.28Å; E111-E113 PolarHBondContact O-N 2.93Å; E113-R115 VanDerWaalsContact C-N 3.31Å; E113-R115 PolarHBondContact O-N 3.25Å; E113-I116 WeakPolarHBondContact O-CB 3.33Å; E113-I116 PolarHBondContact O-N 3.45Å; E113-I116 VanDerWaalsContact O-N 3.13Å; E113-V117 WeakPolarHBondContact O-CG2 3.48Å; E113-V117 PolarHBondContact O-N 2.94Å |
| 114 | L | 97.5 | Very high | 95.5 | Very high | 110 Ų | 110 | 96.9 Ų | 96.9 | 58% | 0.576 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -61 | -39.7 | 177.6 | -72.3 | 177.6 | 0 | 0 | 0 | 112 | V110 E111 I116 V117 A118 | V110-L114 HydrophobicContact CG1-CD1 3.93Å; V110-L114 HydrophobicContact CG1-CG 4.22Å; V110-L114 WeakPolarHBondContact O-CB 3.3Å; V110-L114 VanDerWaalsContact O-CG 3.32Å; V110-L114 WeakPolarHBondContact O-CG 3.45Å; V110-L114 PolarHBondContact O-N 3.39Å; E111-L114 PolarHBondContact O-N 3.5Å; L114-I116 VanDerWaalsContact C-N 3.33Å; L114-I116 PolarHBondContact O-N 2.8Å; L114-V117 PolarHBondContact O-N 3.27Å; L114-A118 VanDerWaalsContact O-CB 3.3Å; L114-A118 WeakPolarHBondContact O-CB 3.44Å; L114-A118 PolarHBondContact O-N 2.93Å |
| 115 | R | 96.6 | Very high | 95.6 | Very high | 166 Ų | 166 | 97.6 Ų | 97.6 | 63% | 0.626 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -59.4 | -44 | 174.5 | -175.4 | -176.6 | 68.5 | 158.8 | -1.3 | 111.3 | E111 N112 E113 A118 E119 | E111-R115 VanDerWaalsContact O-CB 3.3Å; E111-R115 WeakPolarHBondContact O-CB 3.37Å; E111-R115 PolarHBondContact O-N 3.43Å; N112-R115 PolarHBondContact O-N 2.99Å; E113-R115 VanDerWaalsContact C-N 3.31Å; E113-R115 PolarHBondContact O-N 3.25Å; R115-A118 PolarHBondContact O-N 3.48Å; R115-E119 WeakPolarHBondContact O-CB 3.48Å; R115-E119 PolarHBondContact O-N 3.34Å |
| 116 | I | 94.4 | Very high | 95.5 | Very high | 86 Ų | 86 | 94.4 Ų | 94.4 | 44% | 0.441 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.3 | -43.9 | 176.9 | -67.7 | 164.7 | 0 | 0 | 0 | 110.6 | N112 E113 L114 E119 K120 | N112-I116 WeakPolarHBondContact O-CG1 3.45Å; N112-I116 PolarHBondContact O-N 3.19Å; N112-I116 VanDerWaalsContact O-N 3.13Å; E113-I116 WeakPolarHBondContact O-CB 3.33Å; E113-I116 PolarHBondContact O-N 3.45Å; E113-I116 VanDerWaalsContact O-N 3.13Å; L114-I116 VanDerWaalsContact C-N 3.33Å; L114-I116 PolarHBondContact O-N 2.8Å; I116-E119 PolarHBondContact O-N 3.49Å; I116-K120 HydrophobicContact CG2-CD 4.25Å; I116-K120 WeakPolarHBondContact O-CG 3.41Å; I116-K120 PolarHBondContact O-N 2.99Å |
| 117 | V | 96.2 | Very high | 95.3 | Very high | 73 Ų | 73 | 92.8 Ų | 92.8 | 44% | 0.442 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.3 | -46 | 177.9 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | E113 L114 E119 K120 I121 | E113-V117 WeakPolarHBondContact O-CG2 3.48Å; E113-V117 PolarHBondContact O-N 2.94Å; L114-V117 PolarHBondContact O-N 3.27Å; V117-E119 VanDerWaalsContact C-N 3.33Å; V117-E119 PolarHBondContact O-N 3.17Å; V117-K120 WeakPolarHBondContact O-CB 3.47Å; V117-K120 PolarHBondContact O-N 2.72Å; V117-I121 HydrophobicContact CG1-CD1 3.93Å; V117-I121 WeakPolarHBondContact O-CG1 3.46Å; V117-I121 PolarHBondContact O-N 3.43Å |
| 118 | A | 96.5 | Very high | 95.2 | Very high | 58 Ų | 58 | 91.7 Ų | 91.7 | 48% | 0.479 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -59.5 | -43.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L114 R115 I121 R122 | L114-A118 VanDerWaalsContact O-CB 3.3Å; L114-A118 WeakPolarHBondContact O-CB 3.44Å; L114-A118 PolarHBondContact O-N 2.93Å; R115-A118 PolarHBondContact O-N 3.48Å; A118-I121 PolarHBondContact O-N 3.41Å; A118-R122 WeakPolarHBondContact O-CB 3.34Å; A118-R122 PolarHBondContact O-N 3.46Å |
| 119 | E | 95.4 | Very high | 95 | Very high | 84 Ų | 84 | 91.9 Ų | 91.9 | 39% | 0.393 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64.7 | -40.4 | 176.5 | -175.1 | 58.5 | -163.6 | 0 | 0 | 111.8 | R115 I116 V117 I121 R122 M123 | R115-E119 WeakPolarHBondContact O-CB 3.48Å; R115-E119 PolarHBondContact O-N 3.34Å; I116-E119 PolarHBondContact O-N 3.49Å; V117-E119 VanDerWaalsContact C-N 3.33Å; V117-E119 PolarHBondContact O-N 3.17Å; E119-I121 PolarHBondContact O-N 3.37Å; E119-R122 WeakPolarHBondContact O-CB 3.37Å; E119-R122 PolarHBondContact O-N 2.84Å; E119-R122 IonicContact OE1-CZ 2.63Å; E119-R122 IonicContact OE1-NE 3.29Å; E119-R122 PolarHBondContact OE1-NE 3.32Å; E119-R122 IonicContact OE1-NH2 3.29Å; E119-R122 PolarHBondContact OE1-NH2 3.42Å; E119-R122 IonicContact OE2-CZ 3.42Å; E119-R122 IonicContact OE2-NE 3.83Å; E119-R122 PolarHBondContact OE2-NE 3.31Å; E119-R122 IonicContact OE2-NH2 2.72Å; E119-M123 WeakPolarHBondContact O-CB 3.32Å; E119-M123 VanDerWaalsContact O-CG 3.26Å; E119-M123 WeakPolarHBondContact O-CG 3.4Å; E119-M123 PolarHBondContact O-N 2.84Å |
| 120 | K | 94.4 | Very high | 94.8 | Very high | 133 Ų | 133 | 89.4 Ų | 89.4 | 58% | 0.578 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -60.1 | -44.2 | 173.5 | -74.1 | 172.8 | -180 | 177.1 | 0 | 111.8 | I116 V117 M123 K124 | I116-K120 HydrophobicContact CG2-CD 4.25Å; I116-K120 WeakPolarHBondContact O-CG 3.41Å; I116-K120 PolarHBondContact O-N 2.99Å; V117-K120 WeakPolarHBondContact O-CB 3.47Å; V117-K120 PolarHBondContact O-N 2.72Å; K120-M123 PolarHBondContact O-N 3.34Å; K120-K124 WeakPolarHBondContact O-CG 3.39Å; K120-K124 PolarHBondContact O-N 3.29Å |
| 121 | I | 96.5 | Very high | 94.4 | Very high | 85 Ų | 85 | 92.2 Ų | 92.2 | 44% | 0.436 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62.9 | -46.3 | 176.6 | -67.8 | 167.4 | 0 | 0 | 0 | 110.2 | V117 A118 E119 M123 K124 K125 | V117-I121 HydrophobicContact CG1-CD1 3.93Å; V117-I121 WeakPolarHBondContact O-CG1 3.46Å; V117-I121 PolarHBondContact O-N 3.43Å; A118-I121 PolarHBondContact O-N 3.41Å; E119-I121 PolarHBondContact O-N 3.37Å; I121-M123 VanDerWaalsContact C-N 3.31Å; I121-M123 PolarHBondContact O-N 2.95Å; I121-K124 PolarHBondContact O-N 2.65Å; I121-K125 HydrophobicContact CG2-CD 4.4Å; I121-K125 WeakPolarHBondContact O-CG 3.45Å; I121-K125 PolarHBondContact O-N 3.39Å |
| 122 | R | 96.1 | Very high | 94 | Very high | 122 Ų | 122 | 94.4 Ų | 94.4 | 46% | 0.46 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -56.6 | -46.2 | 177.2 | -168.9 | -173.7 | 78.9 | 85.7 | 4.6 | 111.4 | A118 E119 K125 L126 | A118-R122 WeakPolarHBondContact O-CB 3.34Å; A118-R122 PolarHBondContact O-N 3.46Å; E119-R122 WeakPolarHBondContact O-CB 3.37Å; E119-R122 PolarHBondContact O-N 2.84Å; E119-R122 IonicContact OE1-CZ 2.63Å; E119-R122 IonicContact OE1-NE 3.29Å; E119-R122 PolarHBondContact OE1-NE 3.32Å; E119-R122 IonicContact OE1-NH2 3.29Å; E119-R122 PolarHBondContact OE1-NH2 3.42Å; E119-R122 IonicContact OE2-CZ 3.42Å; E119-R122 IonicContact OE2-NE 3.83Å; E119-R122 PolarHBondContact OE2-NE 3.31Å; E119-R122 IonicContact OE2-NH2 2.72Å; R122-K125 PolarHBondContact O-N 2.99Å; R122-L126 WeakPolarHBondContact O-CG 3.33Å; R122-L126 PolarHBondContact O-N 2.9Å |
| 123 | M | 92.8 | Very high | 93.7 | Very high | 54 Ų | 54 | 99 Ų | 99 | 27% | 0.266 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -66.1 | -38.6 | 179.6 | -71 | -61.2 | -65.7 | 0 | 0 | 112.8 | E119 K120 I121 L126 L127 W153 | E119-M123 WeakPolarHBondContact O-CB 3.32Å; E119-M123 VanDerWaalsContact O-CG 3.26Å; E119-M123 WeakPolarHBondContact O-CG 3.4Å; E119-M123 PolarHBondContact O-N 2.84Å; K120-M123 PolarHBondContact O-N 3.34Å; I121-M123 VanDerWaalsContact C-N 3.31Å; I121-M123 PolarHBondContact O-N 2.95Å; M123-L126 PolarHBondContact O-N 3.15Å; M123-L126 HydrophobicContact SD-CD1 4.15Å; M123-L127 WeakPolarHBondContact O-CG 3.49Å; M123-L127 PolarHBondContact O-N 3.02Å; M123-W153 HydrophobicContact CE-CH2 3.62Å; M123-W153 HydrophobicContact CE-CZ3 4.14Å; M123-W153 HydrophobicContact SD-CH2 4.45Å |
| 124 | K | 93.5 | Very high | 93.2 | Very high | 138 Ų | 138 | 96.6 Ų | 96.6 | 60% | 0.6 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -60.6 | -47.6 | 172.7 | -73.9 | -179.5 | 179.2 | -173.8 | 0 | 111.6 | K120 I121 L126 L127 E128 | K120-K124 WeakPolarHBondContact O-CG 3.39Å; K120-K124 PolarHBondContact O-N 3.29Å; I121-K124 PolarHBondContact O-N 2.65Å; K124-L126 VanDerWaalsContact C-N 3.33Å; K124-L126 PolarHBondContact O-N 3.26Å; K124-L127 WeakPolarHBondContact O-CB 3.44Å; K124-L127 PolarHBondContact O-N 3.4Å; K124-L127 VanDerWaalsContact O-N 3.13Å; K124-E128 WeakPolarHBondContact O-CG 3.5Å; K124-E128 PolarHBondContact O-N 3.46Å |
| 125 | K | 95.2 | Very high | 92.6 | Very high | 118 Ų | 118 | 93.4 Ų | 93.4 | 51% | 0.513 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -58.4 | -43.9 | 176.3 | -71 | -179 | 177.4 | -177.7 | 0 | 112.1 | I121 R122 L127 E128 E129 | I121-K125 HydrophobicContact CG2-CD 4.4Å; I121-K125 WeakPolarHBondContact O-CG 3.45Å; I121-K125 PolarHBondContact O-N 3.39Å; R122-K125 PolarHBondContact O-N 2.99Å; K125-L127 VanDerWaalsContact C-N 3.32Å; K125-L127 PolarHBondContact O-N 3.05Å; K125-E128 PolarHBondContact O-N 3.03Å; K125-E129 WeakPolarHBondContact O-CB 3.26Å; K125-E129 VanDerWaalsContact O-CG 3.32Å; K125-E129 WeakPolarHBondContact O-CG 3.41Å; K125-E129 PolarHBondContact O-N 3.42Å |
| 126 | L | 92.2 | Very high | 92.2 | Very high | 52 Ų | 52 | 93.1 Ų | 93.1 | 27% | 0.272 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.4 | -37.7 | 176.8 | -74.5 | 176 | 0 | 0 | 0 | 112.9 | R122 M123 K124 S130 W153 | R122-L126 WeakPolarHBondContact O-CG 3.33Å; R122-L126 PolarHBondContact O-N 2.9Å; M123-L126 PolarHBondContact O-N 3.15Å; M123-L126 HydrophobicContact SD-CD1 4.15Å; K124-L126 VanDerWaalsContact C-N 3.33Å; K124-L126 PolarHBondContact O-N 3.26Å; L126-S130 WeakPolarHBondContact O-CB 3.37Å; L126-S130 PolarHBondContact O-N 2.98Å; L126-S130 PolarHBondContact O-OG 3.05Å; L126-W153 HydrophobicContact CB-CZ2 4.1Å |
| 127 | L | 92.1 | Very high | 92.1 | Very high | 39 Ų | 39 | 90 Ų | 90 | 20% | 0.204 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -65.5 | -48.8 | 174.9 | -71 | 172.7 | 0 | 0 | 0 | 110.8 | M123 K124 K125 E129 S130 E131 P137 Y151 W153 | M123-L127 WeakPolarHBondContact O-CG 3.49Å; M123-L127 PolarHBondContact O-N 3.02Å; K124-L127 WeakPolarHBondContact O-CB 3.44Å; K124-L127 PolarHBondContact O-N 3.4Å; K124-L127 VanDerWaalsContact O-N 3.13Å; K125-L127 VanDerWaalsContact C-N 3.32Å; K125-L127 PolarHBondContact O-N 3.05Å; L127-E129 PolarHBondContact O-N 3.36Å; L127-S130 WeakPolarHBondContact CA-OG 3.49Å; L127-S130 PolarHBondContact O-N 3.13Å; L127-S130 VanDerWaalsContact O-N 3.15Å; L127-S130 PolarHBondContact O-OG 3.39Å; L127-E131 WeakPolarHBondContact O-CG 3.47Å; L127-E131 PolarHBondContact O-N 3.4Å; L127-P137 HydrophobicContact CD2-CG 3.68Å; L127-Y151 HydrophobicContact CD1-CE2 4.27Å; L127-Y151 HydrophobicContact CD2-CD1 4.32Å; L127-Y151 HydrophobicContact CD2-CD2 4.46Å; L127-Y151 HydrophobicContact CD2-CE1 4.42Å; L127-Y151 HydrophobicContact CD2-CG 4.33Å; L127-W153 HydrophobicContact CD2-CZ2 4.32Å |
| 128 | E | 92.9 | Very high | 91.9 | Very high | 100 Ų | 100 | 93.4 Ų | 93.4 | 47% | 0.467 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -59.6 | -43.6 | 176.5 | -69.1 | 169.7 | -158.8 | 0 | 0 | 112.5 | K124 K125 S130 E131 K132 | K124-E128 WeakPolarHBondContact O-CG 3.5Å; K124-E128 PolarHBondContact O-N 3.46Å; K125-E128 PolarHBondContact O-N 3.03Å; E128-S130 VanDerWaalsContact C-N 3.32Å; E128-S130 PolarHBondContact O-N 3.37Å; E128-E131 PolarHBondContact O-N 3.43Å; E128-K132 WeakPolarHBondContact O-CG 3.29Å; E128-K132 PolarHBondContact O-N 3Å |
| 129 | E | 92.2 | Very high | 91.8 | Very high | 88 Ų | 88 | 96.7 Ų | 96.7 | 41% | 0.411 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.9 | -38.3 | 175.8 | -75.7 | 176.5 | -158.3 | 0 | 0 | 112.1 | K125 L127 E131 K132 K133 | K125-E129 WeakPolarHBondContact O-CB 3.26Å; K125-E129 VanDerWaalsContact O-CG 3.32Å; K125-E129 WeakPolarHBondContact O-CG 3.41Å; K125-E129 PolarHBondContact O-N 3.42Å; L127-E129 PolarHBondContact O-N 3.36Å; E129-E131 VanDerWaalsContact C-N 3.34Å; E129-K132 PolarHBondContact O-N 3.48Å; E129-K133 WeakPolarHBondContact O-CG 3.39Å; E129-K133 PolarHBondContact O-N 2.94Å |
| 130 | S | 89 | Confident | 91.7 | Very high | 7 Ų | 7 | 96.6 Ų | 96.6 | 5% | 0.049 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -68 | -36.8 | 178 | 77.5 | 0 | 0 | 0 | 0 | 111.9 | L126 L127 E128 K133 G134 V135 P137 | L126-S130 WeakPolarHBondContact O-CB 3.37Å; L126-S130 PolarHBondContact O-N 2.98Å; L126-S130 PolarHBondContact O-OG 3.05Å; L127-S130 WeakPolarHBondContact CA-OG 3.49Å; L127-S130 PolarHBondContact O-N 3.13Å; L127-S130 VanDerWaalsContact O-N 3.15Å; L127-S130 PolarHBondContact O-OG 3.39Å; E128-S130 VanDerWaalsContact C-N 3.32Å; E128-S130 PolarHBondContact O-N 3.37Å; S130-K133 PolarHBondContact O-N 2.67Å; S130-G134 PolarHBondContact O-N 3.39Å; S130-V135 VanDerWaalsContact CB-O 3.29Å; S130-V135 WeakPolarHBondContact CB-O 3.37Å; S130-V135 CarbonylContact O-C 3.5Å; S130-V135 PolarHBondContact O-N 3.27Å; S130-P137 WeakPolarHBondContact OG-CD 3.21Å |
| 131 | E | 88.5 | Confident | 91.7 | Very high | 123 Ų | 123 | 95.2 Ų | 95.2 | 58% | 0.575 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -65.4 | -43.9 | 173.4 | -72.8 | 177 | 179.4 | 0 | 0 | 111.4 | L127 E128 E129 K133 G134 | L127-E131 WeakPolarHBondContact O-CG 3.47Å; L127-E131 PolarHBondContact O-N 3.4Å; E128-E131 PolarHBondContact O-N 3.43Å; E129-E131 VanDerWaalsContact C-N 3.34Å; E131-K133 VanDerWaalsContact C-N 3.31Å; E131-K133 PolarHBondContact O-N 3.33Å; E131-G134 PolarHBondContact O-N 3Å; E131-G134 VanDerWaalsContact O-N 3.1Å |
| 132 | K | 90.5 | Very high | 91.6 | Very high | 171 Ų | 171 | 99.5 Ų | 99.5 | 74% | 0.743 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -61.4 | -36.3 | 175.5 | -71.4 | 171.9 | -173.2 | 174.5 | 0 | 113 | E128 E129 G134 | E128-K132 WeakPolarHBondContact O-CG 3.29Å; E128-K132 PolarHBondContact O-N 3Å; E129-K132 PolarHBondContact O-N 3.48Å; K132-G134 VanDerWaalsContact C-N 3.27Å; K132-G134 PolarHBondContact O-N 3.4Å |
| 133 | K | 88.3 | Confident | 91.4 | Very high | 158 Ų | 158 | 94.6 Ų | 94.6 | 69% | 0.687 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -3.8 | 177.4 | -69.2 | 172.7 | -176 | 168.9 | 0 | 113.5 | E129 S130 E131 V135 | E129-K133 WeakPolarHBondContact O-CG 3.39Å; E129-K133 PolarHBondContact O-N 2.94Å; S130-K133 PolarHBondContact O-N 2.67Å; E131-K133 VanDerWaalsContact C-N 3.31Å; E131-K133 PolarHBondContact O-N 3.33Å; K133-V135 PolarHBondContact O-N 3.22Å |
| 134 | G | 86.4 | Confident | 91.4 | Very high | 63 Ų | 63 | 96.6 Ų | 96.6 | 65% | 0.649 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.9 | 3.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | S130 E131 K132 K136 | S130-G134 PolarHBondContact O-N 3.39Å; E131-G134 PolarHBondContact O-N 3Å; E131-G134 VanDerWaalsContact O-N 3.1Å; K132-G134 VanDerWaalsContact C-N 3.27Å; K132-G134 PolarHBondContact O-N 3.4Å; G134-K136 PolarHBondContact O-N 3.15Å |
| 135 | V | 84.9 | Confident | 91.4 | Very high | 44 Ų | 44 | 99.9 Ų | 99.9 | 27% | 0.267 | 48% | 0.484 | S | S | . | . | trans | -99.6 | 85.1 | -179 | -175 | 0 | 0 | 0 | 0 | 109.3 | S130 K133 | S130-V135 VanDerWaalsContact CB-O 3.29Å; S130-V135 WeakPolarHBondContact CB-O 3.37Å; S130-V135 CarbonylContact O-C 3.5Å; S130-V135 PolarHBondContact O-N 3.27Å; K133-V135 PolarHBondContact O-N 3.22Å | ||
| 136 | K | 87.2 | Confident | 91.2 | Very high | 160 Ų | 160 | 102.8 Ų | 102.8 | 70% | 0.696 | 50% | 0.499 | S | S | * | . | P | Polyproline II helix | trans | -73 | 124.8 | 177.8 | -67.5 | -177.2 | 178.7 | -179.9 | 0 | 110.9 | G134 | G134-K136 PolarHBondContact O-N 3.15Š|
| 137 | P | 92.5 | Very high | 91.1 | Very high | 21 Ų | 21 | 106.5 Ų | 106.5 | 14% | 0.136 | 51% | 0.51 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 145.9 | 177.4 | 27 | -33 | 0 | 0 | 0 | 111 | L127 S130 R139 Y151 M152 W153 | L127-P137 HydrophobicContact CD2-CG 3.68Å; S130-P137 WeakPolarHBondContact OG-CD 3.21Å; P137-R139 PolarHBondContact O-N 3.27Å; P137-Y151 HydrophobicContact CG-CD1 4.17Å; P137-M152 CarbonylContact C-O 3.6Å; P137-W153 HydrophobicContact CB-CD2 3.98Å; P137-W153 HydrophobicContact CB-CG 4.04Å; P137-W153 HydrophobicContact CB-CZ2 4.43Å; P137-W153 HydrophobicContact CG-CZ2 4.29Å |
| 138 | K | 92.6 | Very high | 91 | Very high | 144 Ų | 144 | 109.2 Ų | 109.2 | 63% | 0.626 | 53% | 0.529 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 122.3 | 175.3 | -172.7 | 177.3 | -178.8 | 179.9 | 0 | 108.8 | V140 M152 | K138-V140 PolarHBondContact O-N 2.97Å; K138-M152 HydrophobicContact CD-CE 4.46Å; K138-M152 PolarHBondContact N-O 3.47Å; K138-M152 PolarHBondContact O-N 2.79Å |
| 139 | R | 93.9 | Very high | 91 | Very high | 126 Ų | 126 | 107 Ų | 107 | 48% | 0.475 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 117 | 171.9 | -176.5 | 173.5 | 169 | 176.1 | 0.1 | 109.5 | P137 Y151 | P137-R139 PolarHBondContact O-N 3.27Å; R139-Y151 HydrophobicContact CB-CD1 4.13Å; R139-Y151 HydrophobicContact CB-CE1 4.13Å; R139-Y151 HydrophobicContact CG-CD1 4.5Å; R139-Y151 HydrophobicContact CG-CE1 4.27Å |
| 140 | V | 94.3 | Very high | 91.1 | Very high | 82 Ų | 82 | 105.5 Ų | 105.5 | 50% | 0.497 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | -39.5 | -178.3 | -177.4 | 0 | 0 | 0 | 0 | 111 | K138 V150 M152 | K138-V140 PolarHBondContact O-N 2.97Å; V140-V150 PolarHBondContact N-O 3.41Å; V140-M152 HydrophobicContact CG2-CB 3.43Å; V140-M152 VanDerWaalsContact CG2-CB 3.43Å; V140-M152 HydrophobicContact CG2-CE 4.26Å; V140-M152 HydrophobicContact CG2-CG 4.47Å; V140-M152 HydrophobicContact CG2-SD 4.33Å |
| 141 | K | 94.3 | Very high | 91.3 | Very high | 104 Ų | 104 | 108.5 Ų | 108.5 | 45% | 0.452 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 136.6 | 178.4 | -64.3 | -174.5 | 177.2 | -178.3 | 0 | 110.8 | V150 | K141-V150 HydrophobicContact CB-CB 4.15Å; K141-V150 HydrophobicContact CB-CG2 4.3Å; K141-V150 PolarHBondContact N-O 2.96Å; K141-V150 PolarHBondContact O-N 3.2Å |
| 142 | K | 93.8 | Very high | 91.5 | Very high | 176 Ų | 176 | 107.7 Ų | 107.7 | 77% | 0.765 | 53% | 0.529 | S | S | * | . | trans | -71.9 | 132.2 | 169.2 | 168.5 | 155 | -173.2 | -167.1 | 0 | 108.5 | ||||
| 143 | G | 91.3 | Very high | 91.6 | Very high | 19 Ų | 19 | 104 Ų | 104 | 20% | 0.196 | 51% | 0.51 | C | S | . | . | trans | -73.6 | 148.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | R147 | G143-R147 CarbonylContact C-O 3.49Å; G143-R147 WeakPolarHBondContact CA-O 3.36Å | ||
| 144 | N | 94 | Very high | 91.5 | Very high | 95 Ų | 95 | 104.1 Ų | 104.1 | 51% | 0.508 | 51% | 0.511 | S | S | . | . | trans | -121.7 | -177.5 | 168.2 | 63.4 | -14.2 | 0 | 0 | 0 | 108.2 | E146 R147 | N144-E146 PolarHBondContact O-N 2.81Å; N144-R147 PolarHBondContact N-O 2.85Å; N144-R147 PolarHBondContact O-N 2.83Å; N144-R147 WeakPolarHBondContact OD1-CA 3.09Å; N144-R147 WeakPolarHBondContact OD1-CB 3.11Å; N144-R147 PolarHBondContact OD1-N 3.33Å; N144-R147 PolarHBondContact OD1-O 3.29Å | ||
| 145 | E | 92.4 | Very high | 91.2 | Very high | 208 Ų | 208 | 109.6 Ų | 109.6 | 97% | 0.972 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -59.5 | -32.2 | 178.5 | -66.7 | 172.8 | -170.6 | 0 | 0 | 112.1 | ||
| 146 | E | 92 | Very high | 90.8 | Very high | 179 Ų | 179 | 114 Ų | 114 | 84% | 0.836 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -83.9 | -23 | -179.2 | -59.2 | 178.1 | 162.7 | 0 | 0 | 114.1 | N144 | N144-E146 PolarHBondContact O-N 2.81Š|
| 147 | R | 90.1 | Very high | 90.7 | Very high | 130 Ų | 130 | 116.3 Ų | 116.3 | 49% | 0.491 | 54% | 0.539 | S | S | . | . | S | Bend | trans | -142.7 | 132 | -169.4 | -168.4 | -174.3 | -179.6 | 150.9 | 11.6 | 112.4 | G143 N144 | G143-R147 CarbonylContact C-O 3.49Å; G143-R147 WeakPolarHBondContact CA-O 3.36Å; N144-R147 PolarHBondContact N-O 2.85Å; N144-R147 PolarHBondContact O-N 2.83Å; N144-R147 WeakPolarHBondContact OD1-CA 3.09Å; N144-R147 WeakPolarHBondContact OD1-CB 3.11Å; N144-R147 PolarHBondContact OD1-N 3.33Å; N144-R147 PolarHBondContact OD1-O 3.29Å |
| 148 | P | 90 | Very high | 90.2 | Very high | 95 Ų | 95 | 125.2 Ų | 125.2 | 62% | 0.617 | 58% | 0.576 | S | S | * | * | trans | -67.2 | 153.8 | 176.1 | 29 | -35.6 | 0 | 0 | 0 | 112.4 | ||||
| 149 | P | 93.8 | Very high | 89.4 | Confident | 53 Ų | 53 | 133.3 Ų | 133.3 | 34% | 0.344 | 60% | 0.602 | S | S | . | * | trans | -62.3 | 144.5 | 171.6 | 27.1 | -33.7 | 0 | 0 | 0 | 111.2 | Y151 | P149-Y151 HydrophobicContact CB-CE2 3.84Å; P149-Y151 HydrophobicContact CG-CE2 3.79Å | ||
| 150 | V | 93.9 | Very high | 89.2 | Confident | 57 Ų | 57 | 133.7 Ų | 133.7 | 35% | 0.345 | 61% | 0.609 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.2 | 126.4 | 178.8 | -176.2 | 0 | 0 | 0 | 0 | 109.5 | V140 K141 | V140-V150 PolarHBondContact N-O 3.41Å; K141-V150 HydrophobicContact CB-CB 4.15Å; K141-V150 HydrophobicContact CB-CG2 4.3Å; K141-V150 PolarHBondContact N-O 2.96Å; K141-V150 PolarHBondContact O-N 3.2Å |
| 151 | Y | 93.4 | Very high | 88.9 | Confident | 70 Ų | 70 | 136.4 Ų | 136.4 | 28% | 0.275 | 61% | 0.614 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.5 | 146.9 | 179.8 | -61.3 | -89 | 0 | 0 | 0 | 110.6 | L127 P137 R139 P149 | L127-Y151 HydrophobicContact CD1-CE2 4.27Å; L127-Y151 HydrophobicContact CD2-CD1 4.32Å; L127-Y151 HydrophobicContact CD2-CD2 4.46Å; L127-Y151 HydrophobicContact CD2-CE1 4.42Å; L127-Y151 HydrophobicContact CD2-CG 4.33Å; P137-Y151 HydrophobicContact CG-CD1 4.17Å; R139-Y151 HydrophobicContact CB-CD1 4.13Å; R139-Y151 HydrophobicContact CB-CE1 4.13Å; R139-Y151 HydrophobicContact CG-CD1 4.5Å; R139-Y151 HydrophobicContact CG-CE1 4.27Å; P149-Y151 HydrophobicContact CB-CE2 3.84Å; P149-Y151 HydrophobicContact CG-CE2 3.79Å |
| 152 | M | 93 | Very high | 88.6 | Confident | 107 Ų | 107 | 138.2 Ų | 138.2 | 53% | 0.527 | 62% | 0.623 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -124.7 | 119.8 | 174.4 | -177.7 | 174.6 | 70.1 | 0 | 0 | 108.5 | P137 K138 V140 | P137-M152 CarbonylContact C-O 3.6Å; K138-M152 HydrophobicContact CD-CE 4.46Å; K138-M152 PolarHBondContact N-O 3.47Å; K138-M152 PolarHBondContact O-N 2.79Å; V140-M152 HydrophobicContact CG2-CB 3.43Å; V140-M152 VanDerWaalsContact CG2-CB 3.43Å; V140-M152 HydrophobicContact CG2-CE 4.26Å; V140-M152 HydrophobicContact CG2-CG 4.47Å; V140-M152 HydrophobicContact CG2-SD 4.33Å |
| 153 | W | 90.9 | Very high | 88.3 | Confident | 94 Ų | 94 | 136 Ų | 136 | 36% | 0.356 | 62% | 0.615 | S | S | . | * | trans | -76.7 | 141.4 | 172.5 | -74.9 | -96.2 | 0 | 0 | 0 | 109.7 | M123 L126 L127 P137 F155 | M123-W153 HydrophobicContact CE-CH2 3.62Å; M123-W153 HydrophobicContact CE-CZ3 4.14Å; M123-W153 HydrophobicContact SD-CH2 4.45Å; L126-W153 HydrophobicContact CB-CZ2 4.1Å; L127-W153 HydrophobicContact CD2-CZ2 4.32Å; P137-W153 HydrophobicContact CB-CD2 3.98Å; P137-W153 HydrophobicContact CB-CG 4.04Å; P137-W153 HydrophobicContact CB-CZ2 4.43Å; P137-W153 HydrophobicContact CG-CZ2 4.29Å; W153-F155 PolarHBondContact O-N 3.1Å | ||
| 154 | K | 86.3 | Confident | 88.1 | Confident | 159 Ų | 159 | 143.3 Ų | 143.3 | 69% | 0.691 | 64% | 0.641 | S | S | * | * | trans | -65.2 | 128 | 165.2 | -70.5 | -174.5 | 179.5 | -179.6 | 0 | 107.3 | E156 | K154-E156 PolarHBondContact O-N 3.45Å; K154-E156 VanDerWaalsContact O-N 3.15Å | ||
| 155 | F | 81.4 | Confident | 87.7 | Confident | 178 Ų | 178 | 146.5 Ų | 146.5 | 78% | 0.781 | 65% | 0.65 | S | S | * | * | trans | -74.6 | 103.8 | 176.8 | -178.1 | -98.4 | 0 | 0 | 0 | 108.8 | W153 R157 | W153-F155 PolarHBondContact O-N 3.1Å; F155-R157 HydrophobicContact CD1-CG 4.4Å; F155-R157 HydrophobicContact CE1-CG 3.59Å; F155-R157 HydrophobicContact CZ-CG 4.2Å | ||
| 156 | E | 76.8 | Confident | 87.4 | Confident | 136 Ų | 136 | 142.1 Ų | 142.1 | 64% | 0.636 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -101.4 | 125.7 | 166.4 | -69.3 | -178.2 | -176 | 0 | 0 | 108.2 | K154 K158 | K154-E156 PolarHBondContact O-N 3.45Å; K154-E156 VanDerWaalsContact O-N 3.15Å; E156-K158 PolarHBondContact O-N 3.28Å |
| 157 | R | 84.5 | Confident | 87 | Confident | 209 Ų | 209 | 139.3 Ų | 139.3 | 79% | 0.789 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 132.6 | 174.2 | -73.2 | -176.9 | 173.8 | 174 | -1.5 | 108.2 | F155 R159 | F155-R157 HydrophobicContact CD1-CG 4.4Å; F155-R157 HydrophobicContact CE1-CG 3.59Å; F155-R157 HydrophobicContact CZ-CG 4.2Å; R157-R159 PolarHBondContact O-N 3.43Å; R157-R159 VanDerWaalsContact O-N 3.17Å |
| 158 | K | 81.7 | Confident | 86.8 | Confident | 209 Ų | 209 | 140.1 Ų | 140.1 | 91% | 0.909 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 120.5 | 162.8 | -64.2 | -174.3 | 178.8 | -177.5 | 0 | 106.9 | E156 | E156-K158 PolarHBondContact O-N 3.28Š|
| 159 | R | 75.5 | Confident | 86.5 | Confident | 314 Ų | 314 | 144.2 Ų | 144.2 | 100% | 1.185 | 62% | 0.622 | S | S | * | * | trans | -83.2 | 0 | 167.8 | -71.1 | -173.2 | -179.3 | -178.7 | 0.5 | 109.4 | R157 | R157-R159 PolarHBondContact O-N 3.43Å; R157-R159 VanDerWaalsContact O-N 3.17Å |
Retrieved 159 of 159 residues in 99.2 ms
(Link to these results)