| 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 | 32.2 | Very low | 43.3 | Very low | 244 Ų | 244 | 134 Ų | 134 | 100% | 1.202 | 78% | 0.779 | S | S | * | * | 0 | 110 | 0 | -71.6 | 178.5 | -173.2 | 0 | 0 | 107.6 | |||||
| 2 | A | 32.8 | Very low | 44.4 | Very low | 102 Ų | 102 | 128.1 Ų | 128.1 | 84% | 0.843 | 77% | 0.768 | S | S | * | * | trans | -84.5 | 116.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | K4 | A2-K4 PolarHBondContact O-N 3.17Š| ||
| 3 | T | 35.9 | Very low | 45.6 | Very low | 141 Ų | 141 | 125.3 Ų | 125.3 | 87% | 0.865 | 76% | 0.755 | S | S | * | * | trans | -70 | 106.1 | 174.2 | 47.3 | 0 | 0 | 0 | 0 | 109.2 | S5 | T3-S5 PolarHBondContact O-N 2.99Š| ||
| 4 | K | 37.1 | Very low | 46.8 | Very low | 200 Ų | 200 | 120.5 Ų | 120.5 | 87% | 0.87 | 73% | 0.73 | S | S | * | * | trans | -62.4 | 114.7 | 171.8 | -81.3 | 179.2 | 173.6 | 178 | 0 | 109.2 | A2 V6 | A2-K4 PolarHBondContact O-N 3.17Å; K4-V6 PolarHBondContact O-N 3.23Å | ||
| 5 | S | 41.5 | Very low | 48.5 | Very low | 95 Ų | 95 | 123.6 Ų | 123.6 | 66% | 0.664 | 73% | 0.725 | S | S | * | * | trans | -59.9 | 120.4 | 169.5 | 176.6 | 0 | 0 | 0 | 0 | 109.3 | T3 G7 | T3-S5 PolarHBondContact O-N 2.99Å; S5-G7 VanDerWaalsContact C-N 3.3Å; S5-G7 PolarHBondContact O-N 3.36Å | ||
| 6 | V | 44.7 | Very low | 50.7 | Low | 124 Ų | 124 | 119.1 Ų | 119.1 | 75% | 0.752 | 71% | 0.713 | S | S | * | * | trans | -71.6 | 88.1 | 171.7 | 179.8 | 0 | 0 | 0 | 0 | 107.7 | K4 | K4-V6 PolarHBondContact O-N 3.23Š| ||
| 7 | G | 48.6 | Very low | 52.3 | Low | 48 Ų | 48 | 120.2 Ų | 120.2 | 50% | 0.495 | 71% | 0.711 | S | S | . | * | trans | -76 | 147.7 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | S5 A9 | S5-G7 VanDerWaalsContact C-N 3.3Å; S5-G7 PolarHBondContact O-N 3.36Å; G7-A9 PolarHBondContact O-N 3.25Å | ||
| 8 | M | 49.4 | Very low | 53.7 | Low | 138 Ų | 138 | 117.8 Ų | 117.8 | 68% | 0.68 | 70% | 0.702 | S | S | * | * | trans | -54.7 | 131.5 | 171.1 | -71 | -165.1 | 83.4 | 0 | 0 | 109.4 | N10 | M8-N10 PolarHBondContact O-N 3.21Š| ||
| 9 | A | 49.7 | Very low | 55.2 | Low | 99 Ų | 99 | 119.4 Ų | 119.4 | 82% | 0.818 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -63.6 | 12.2 | -171.4 | 0 | 0 | 0 | 0 | 0 | 116 | G7 | G7-A9 PolarHBondContact O-N 3.25Š|
| 10 | N | 49.4 | Very low | 56.5 | Low | 150 Ų | 150 | 119.2 Ų | 119.2 | 80% | 0.802 | 69% | 0.686 | S | S | * | * | trans | -134.4 | 44.9 | -171.8 | -71.2 | -59 | 0 | 0 | 0 | 113.3 | M8 | M8-N10 PolarHBondContact O-N 3.21Š| ||
| 11 | K | 55.5 | Low | 57.8 | Low | 133 Ų | 133 | 116.8 Ų | 116.8 | 58% | 0.578 | 67% | 0.673 | S | S | * | * | trans | -137.4 | 105.3 | 171.8 | -104.5 | 179.8 | 172.3 | -172.9 | 0 | 112.5 | E124 | K11-E124 IonicContact NZ-OE2 3.02Å; K11-E124 PolarHBondContact NZ-OE2 3.31Å | ||
| 12 | G | 56.5 | Low | 60.2 | Low | 63 Ų | 63 | 107.6 Ų | 107.6 | 65% | 0.649 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -77 | 167.4 | 163.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 13 | P | 59.9 | Low | 62.6 | Low | 92 Ų | 92 | 106.9 Ų | 106.9 | 60% | 0.597 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 145.4 | 178.6 | -17.8 | 29.5 | 0 | 0 | 0 | 111.7 | Y15 | P13-Y15 HydrophobicContact CB-CD2 4.43Å; P13-Y15 HydrophobicContact CB-CE1 4.45Å; P13-Y15 HydrophobicContact CB-CE2 3.66Å; P13-Y15 HydrophobicContact CG-CE2 4.05Å; P13-Y15 WeakPolarHBondContact O-CD2 3.31Å; P13-Y15 WeakPolarHBondContact O-CE2 3.32Å; P13-Y15 PolarHBondContact O-N 3.39Å |
| 14 | S | 62 | Low | 65 | Low | 58 Ų | 58 | 107 Ų | 107 | 41% | 0.406 | 60% | 0.598 | S | S | . | * | P | Polyproline II helix | trans | -74.9 | 123.8 | 174.9 | 43.9 | 0 | 0 | 0 | 0 | 110.3 | ||
| 15 | Y | 72.6 | Confident | 67.3 | Low | 167 Ų | 167 | 99.3 Ų | 99.3 | 66% | 0.655 | 57% | 0.566 | S | S | * | * | trans | -120.6 | 156.1 | 176.7 | -61 | -78.3 | 0 | 0 | 0 | 111.1 | P13 M17 S18 | P13-Y15 HydrophobicContact CB-CD2 4.43Å; P13-Y15 HydrophobicContact CB-CE1 4.45Å; P13-Y15 HydrophobicContact CB-CE2 3.66Å; P13-Y15 HydrophobicContact CG-CE2 4.05Å; P13-Y15 WeakPolarHBondContact O-CD2 3.31Å; P13-Y15 WeakPolarHBondContact O-CE2 3.32Å; P13-Y15 PolarHBondContact O-N 3.39Å; Y15-M17 PolarHBondContact O-N 3.24Å; Y15-S18 PolarHBondContact O-N 3.32Å | ||
| 16 | G | 83.1 | Confident | 69.3 | Low | 52 Ų | 52 | 97.7 Ų | 97.7 | 54% | 0.536 | 55% | 0.55 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.1 | -129.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114 | S18 R19 Q20 | G16-S18 VanDerWaalsContact C-N 3.26Å; G16-S18 PolarHBondContact O-N 3.41Å; G16-R19 PolarHBondContact O-N 2.99Å; G16-R19 VanDerWaalsContact O-N 3.08Å; G16-Q20 PolarHBondContact O-N 3.08Å |
| 17 | M | 78.8 | Confident | 71.3 | Confident | 137 Ų | 137 | 96.1 Ų | 96.1 | 68% | 0.675 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -56.4 | -37.3 | -178.2 | -171.5 | 64.1 | 175.7 | 0 | 0 | 112.8 | Y15 R19 Q20 V21 | Y15-M17 PolarHBondContact O-N 3.24Å; M17-R19 VanDerWaalsContact C-N 3.29Å; M17-R19 PolarHBondContact O-N 3.49Å; M17-Q20 PolarHBondContact O-N 3.47Å; M17-V21 HydrophobicContact CE-CG2 4.49Å; M17-V21 WeakPolarHBondContact O-CG2 3.48Å; M17-V21 PolarHBondContact O-N 2.82Å |
| 18 | S | 77.7 | Confident | 73.3 | Confident | 78 Ų | 78 | 100.3 Ų | 100.3 | 55% | 0.545 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.9 | -33.1 | 178.9 | -56.4 | 0 | 0 | 0 | 0 | 112.7 | Y15 G16 Q22 | Y15-S18 PolarHBondContact O-N 3.32Å; G16-S18 VanDerWaalsContact C-N 3.26Å; G16-S18 PolarHBondContact O-N 3.41Å; S18-Q22 PolarHBondContact O-N 3.16Å |
| 19 | R | 81 | Confident | 75.3 | Confident | 147 Ų | 147 | 95 Ų | 95 | 56% | 0.555 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -73.1 | -43.7 | 175.3 | -176.8 | 166.3 | 174.5 | 165.5 | -2.5 | 111.4 | G16 M17 V21 Q22 D23 | G16-R19 PolarHBondContact O-N 2.99Å; G16-R19 VanDerWaalsContact O-N 3.08Å; M17-R19 VanDerWaalsContact C-N 3.29Å; M17-R19 PolarHBondContact O-N 3.49Å; R19-V21 VanDerWaalsContact C-N 3.27Å; R19-V21 PolarHBondContact O-N 3.23Å; R19-Q22 WeakPolarHBondContact O-CB 3.47Å; R19-Q22 PolarHBondContact O-N 2.92Å; R19-Q22 VanDerWaalsContact O-N 3.08Å; R19-D23 VanDerWaalsContact O-CG 3.24Å; R19-D23 PolarHBondContact O-N 2.89Å |
| 20 | Q | 82.4 | Confident | 77.3 | Confident | 116 Ų | 116 | 93.6 Ų | 93.6 | 54% | 0.542 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.8 | -36.2 | 176 | -66.2 | 178.4 | -2 | 0 | 0 | 112.7 | G16 M17 K24 | G16-Q20 PolarHBondContact O-N 3.08Å; M17-Q20 PolarHBondContact O-N 3.47Å; Q20-K24 WeakPolarHBondContact O-CG 3.26Å; Q20-K24 PolarHBondContact O-N 3.03Å; Q20-K24 VanDerWaalsContact O-N 3.13Å |
| 21 | V | 83.1 | Confident | 79.2 | Confident | 68 Ų | 68 | 90.3 Ų | 90.3 | 41% | 0.412 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.8 | -44.6 | 173.4 | 170.6 | 0 | 0 | 0 | 0 | 110.7 | M17 R19 K24 I25 | M17-V21 HydrophobicContact CE-CG2 4.49Å; M17-V21 WeakPolarHBondContact O-CG2 3.48Å; M17-V21 PolarHBondContact O-N 2.82Å; R19-V21 VanDerWaalsContact C-N 3.27Å; R19-V21 PolarHBondContact O-N 3.23Å; V21-K24 PolarHBondContact O-N 3.03Å; V21-I25 HydrophobicContact CG1-CD1 3.97Å; V21-I25 WeakPolarHBondContact O-CG1 3.36Å; V21-I25 PolarHBondContact O-N 3.45Å |
| 22 | Q | 81.7 | Confident | 80.9 | Confident | 52 Ų | 52 | 90.8 Ų | 90.8 | 24% | 0.243 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -62.2 | -43.3 | 176.8 | -169.1 | 62.3 | 56.4 | 0 | 0 | 111.9 | S18 R19 K24 I25 D26 K126 | S18-Q22 PolarHBondContact O-N 3.16Å; R19-Q22 WeakPolarHBondContact O-CB 3.47Å; R19-Q22 PolarHBondContact O-N 2.92Å; R19-Q22 VanDerWaalsContact O-N 3.08Å; Q22-K24 VanDerWaalsContact C-N 3.29Å; Q22-K24 PolarHBondContact O-N 3.41Å; Q22-I25 WeakPolarHBondContact O-CB 3.27Å; Q22-I25 PolarHBondContact O-N 3.22Å; Q22-I25 VanDerWaalsContact O-N 3.09Å; Q22-D26 PolarHBondContact NE2-OD1 2.83Å; Q22-D26 WeakPolarHBondContact O-CB 3.25Å; Q22-D26 PolarHBondContact O-N 3.18Å; Q22-K126 PolarHBondContact NE2-O 3.48Å |
| 23 | D | 84.9 | Confident | 82.5 | Confident | 86 Ų | 86 | 89.7 Ų | 89.7 | 46% | 0.46 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.7 | -37.8 | 178 | -64.5 | -23.7 | 0 | 0 | 0 | 111.4 | R19 D26 S27 | R19-D23 VanDerWaalsContact O-CG 3.24Å; R19-D23 PolarHBondContact O-N 2.89Å; D23-D26 PolarHBondContact O-N 3.24Å; D23-S27 WeakPolarHBondContact O-CB 3.2Å; D23-S27 PolarHBondContact O-N 3.2Å |
| 24 | K | 86.4 | Confident | 84.1 | Confident | 145 Ų | 145 | 86 Ų | 86 | 63% | 0.63 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -70.8 | -28.8 | 174.3 | -78.6 | -178.3 | 179.1 | 178.5 | 0 | 114.1 | Q20 V21 Q22 S27 K28 | Q20-K24 WeakPolarHBondContact O-CG 3.26Å; Q20-K24 PolarHBondContact O-N 3.03Å; Q20-K24 VanDerWaalsContact O-N 3.13Å; V21-K24 PolarHBondContact O-N 3.03Å; Q22-K24 VanDerWaalsContact C-N 3.29Å; Q22-K24 PolarHBondContact O-N 3.41Å; K24-S27 PolarHBondContact O-OG 3.04Å; K24-K28 WeakPolarHBondContact O-CG 3.41Å |
| 25 | I | 84.6 | Confident | 85.5 | Confident | 37 Ų | 37 | 89.9 Ų | 89.9 | 19% | 0.19 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -72.6 | -47.2 | 173.3 | -72.1 | 166.9 | 0 | 0 | 0 | 108.5 | V21 Q22 S27 K28 D127 | V21-I25 HydrophobicContact CG1-CD1 3.97Å; V21-I25 WeakPolarHBondContact O-CG1 3.36Å; V21-I25 PolarHBondContact O-N 3.45Å; Q22-I25 WeakPolarHBondContact O-CB 3.27Å; Q22-I25 PolarHBondContact O-N 3.22Å; Q22-I25 VanDerWaalsContact O-N 3.09Å; I25-S27 VanDerWaalsContact C-N 3.27Å; I25-S27 PolarHBondContact O-N 3.08Å; I25-K28 WeakPolarHBondContact O-CB 3.37Å; I25-K28 PolarHBondContact O-N 2.87Å; I25-D127 HydrophobicContact CG2-CB 3.85Å; I25-D127 VanDerWaalsContact CG2-OD1 3.28Å; I25-D127 WeakPolarHBondContact CG2-OD1 3.45Å |
| 26 | D | 83.2 | Confident | 86.4 | Confident | 61 Ų | 61 | 84.5 Ų | 84.5 | 33% | 0.326 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.4 | -33.1 | 179.9 | -74.2 | 2.8 | 0 | 0 | 0 | 112.1 | Q22 D23 K28 Y29 K56 | Q22-D26 PolarHBondContact NE2-OD1 2.83Å; Q22-D26 WeakPolarHBondContact O-CB 3.25Å; Q22-D26 PolarHBondContact O-N 3.18Å; D23-D26 PolarHBondContact O-N 3.24Å; D26-K28 PolarHBondContact O-N 3.14Å; D26-Y29 WeakPolarHBondContact O-CB 3.33Å; D26-Y29 PolarHBondContact O-N 3.33Å; D26-Y29 VanDerWaalsContact O-N 3.09Å; D26-K56 IonicContact OD1-NZ 3.57Å; D26-K56 PolarHBondContact OD1-NZ 2.97Å; D26-K56 IonicContact OD2-NZ 3.28Å; D26-K56 PolarHBondContact OD2-NZ 3.13Å |
| 27 | S | 87 | Confident | 86.8 | Confident | 92 Ų | 92 | 82 Ų | 82 | 64% | 0.643 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -14.9 | 174.3 | 74 | 0 | 0 | 0 | 0 | 114.2 | D23 K24 I25 Y29 | D23-S27 WeakPolarHBondContact O-CB 3.2Å; D23-S27 PolarHBondContact O-N 3.2Å; K24-S27 PolarHBondContact O-OG 3.04Å; I25-S27 VanDerWaalsContact C-N 3.27Å; I25-S27 PolarHBondContact O-N 3.08Å; S27-Y29 VanDerWaalsContact C-N 3.31Å |
| 28 | K | 90.4 | Very high | 87.4 | Confident | 135 Ų | 135 | 76.3 Ų | 76.3 | 59% | 0.587 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -7.5 | 174.1 | -63.7 | 173.6 | -177.2 | -178.4 | 0 | 112.4 | K24 I25 D26 A129 | K24-K28 WeakPolarHBondContact O-CG 3.41Å; I25-K28 WeakPolarHBondContact O-CB 3.37Å; I25-K28 PolarHBondContact O-N 2.87Å; D26-K28 PolarHBondContact O-N 3.14Å; K28-A129 HydrophobicContact CB-CB 3.88Å |
| 29 | Y | 90.8 | Very high | 88.1 | Confident | 27 Ų | 27 | 74.9 Ų | 74.9 | 11% | 0.106 | 37% | 0.371 | C | S | . | . | trans | -71.9 | 127.2 | 175.4 | -169.1 | -92.4 | 0 | 0 | 0 | 109.4 | D26 S27 E34 K56 L128 Q132 | D26-Y29 WeakPolarHBondContact O-CB 3.33Å; D26-Y29 PolarHBondContact O-N 3.33Å; D26-Y29 VanDerWaalsContact O-N 3.09Å; S27-Y29 VanDerWaalsContact C-N 3.31Å; Y29-E34 HydrophobicContact CE1-CB 4.4Å; Y29-E34 VanDerWaalsContact CE1-OE2 3.26Å; Y29-E34 WeakPolarHBondContact CE1-OE2 3.18Å; Y29-E34 VanDerWaalsContact CZ-OE2 3.25Å; Y29-E34 VanDerWaalsContact OH-CD 3.28Å; Y29-E34 WeakPolarHBondContact OH-CG 3.29Å; Y29-E34 PolarHBondContact OH-OE2 3.12Å; Y29-K56 HydrophobicContact CD2-CD 4.28Å; Y29-K56 HydrophobicContact CD2-CG 4.37Å; Y29-K56 HydrophobicContact CE1-CB 4.01Å; Y29-K56 HydrophobicContact CE1-CG 4.35Å; Y29-K56 HydrophobicContact CE2-CD 4.46Å; Y29-K56 HydrophobicContact CE2-CG 4.05Å; Y29-K56 HydrophobicContact CG-CD 4.28Å; Y29-L128 HydrophobicContact CD2-CB 3.95Å; Y29-L128 HydrophobicContact CE2-CB 3.78Å; Y29-Q132 HydrophobicContact CD2-CG 4.34Å; Y29-Q132 VanDerWaalsContact CD2-OE1 3.31Å; Y29-Q132 VanDerWaalsContact CE2-CD 3.42Å; Y29-Q132 HydrophobicContact CE2-CG 3.92Å | ||
| 30 | D | 92.2 | Very high | 88.6 | Confident | 69 Ų | 69 | 67.9 Ų | 67.9 | 37% | 0.369 | 35% | 0.345 | S | S | . | . | trans | -109.8 | 112 | -177.8 | -175.5 | -16.4 | 0 | 0 | 0 | 110 | E32 L33 E34 Q132 | D30-E32 VanDerWaalsContact C-N 3.29Å; D30-E32 PolarHBondContact O-N 3.15Å; D30-E32 WeakPolarHBondContact OD1-CB 3.3Å; D30-E32 PolarHBondContact OD1-N 3.08Å; D30-L33 HydrophobicContact CB-CB 3.74Å; D30-L33 PolarHBondContact O-N 3Å; D30-L33 PolarHBondContact OD1-N 2.89Å; D30-E34 PolarHBondContact O-N 2.71Å; D30-Q132 PolarHBondContact O-NE2 3.22Å | ||
| 31 | P | 90.1 | Very high | 89 | Confident | 81 Ų | 81 | 62.3 Ų | 62.3 | 53% | 0.526 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.4 | -28.7 | 178 | -21 | 33.3 | 0 | 0 | 0 | 114.2 | E34 Q35 | P31-E34 WeakPolarHBondContact O-CB 3.46Å; P31-Q35 PolarHBondContact O-N 3.08Å |
| 32 | E | 90.9 | Very high | 89.3 | Confident | 143 Ų | 143 | 59.9 Ų | 59.9 | 67% | 0.668 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -73.1 | -41.6 | 177.5 | -62 | -173.7 | 162.7 | 0 | 0 | 109.9 | D30 E34 Q35 I36 | D30-E32 VanDerWaalsContact C-N 3.29Å; D30-E32 PolarHBondContact O-N 3.15Å; D30-E32 WeakPolarHBondContact OD1-CB 3.3Å; D30-E32 PolarHBondContact OD1-N 3.08Å; E32-E34 VanDerWaalsContact C-N 3.29Å; E32-E34 PolarHBondContact O-N 3.29Å; E32-Q35 PolarHBondContact O-N 3.48Å; E32-I36 WeakPolarHBondContact O-CG1 3.21Å; E32-I36 PolarHBondContact O-N 2.91Å; E32-I36 VanDerWaalsContact O-N 3.14Å |
| 33 | L | 90.1 | Very high | 89.7 | Confident | 41 Ų | 41 | 63.6 Ų | 63.6 | 22% | 0.215 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.4 | -36.4 | 173.8 | -172.4 | 60.1 | 0 | 0 | 0 | 112 | D30 Q35 I36 L37 Q132 | D30-L33 HydrophobicContact CB-CB 3.74Å; D30-L33 PolarHBondContact O-N 3Å; D30-L33 PolarHBondContact OD1-N 2.89Å; L33-Q35 VanDerWaalsContact C-N 3.33Å; L33-Q35 PolarHBondContact O-N 3.49Å; L33-I36 PolarHBondContact O-N 3.5Å; L33-L37 HydrophobicContact CD1-CG 4.39Å; L33-L37 HydrophobicContact CG-CD1 4.1Å; L33-L37 HydrophobicContact CG-CG 4.31Å; L33-L37 WeakPolarHBondContact O-CB 3.41Å; L33-L37 VanDerWaalsContact O-CG 3.23Å; L33-L37 WeakPolarHBondContact O-CG 3.46Å; L33-L37 PolarHBondContact O-N 2.87Å; L33-Q132 HydrophobicContact CD2-CB 4.03Å |
| 34 | E | 92.3 | Very high | 89.8 | Confident | 15 Ų | 15 | 59.9 Ų | 59.9 | 7% | 0.07 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -54.3 | -50.1 | 172.6 | -176.6 | -169.3 | 117.4 | 0 | 0 | 110.8 | Y29 D30 P31 E32 I36 L37 V38 G55 K56 F59 | Y29-E34 HydrophobicContact CE1-CB 4.4Å; Y29-E34 VanDerWaalsContact CE1-OE2 3.26Å; Y29-E34 WeakPolarHBondContact CE1-OE2 3.18Å; Y29-E34 VanDerWaalsContact CZ-OE2 3.25Å; Y29-E34 VanDerWaalsContact OH-CD 3.28Å; Y29-E34 WeakPolarHBondContact OH-CG 3.29Å; Y29-E34 PolarHBondContact OH-OE2 3.12Å; D30-E34 PolarHBondContact O-N 2.71Å; P31-E34 WeakPolarHBondContact O-CB 3.46Å; E32-E34 VanDerWaalsContact C-N 3.29Å; E32-E34 PolarHBondContact O-N 3.29Å; E34-I36 VanDerWaalsContact C-N 3.35Å; E34-I36 PolarHBondContact O-N 3.43Å; E34-L37 PolarHBondContact O-N 3.33Å; E34-V38 HydrophobicContact CG-CG2 4.46Å; E34-V38 VanDerWaalsContact O-CG2 3.26Å; E34-V38 WeakPolarHBondContact O-CG2 3.4Å; E34-V38 PolarHBondContact O-N 2.96Å; E34-G55 WeakPolarHBondContact OE1-CA 3.19Å; E34-G55 PolarHBondContact OE1-N 3.16Å; E34-G55 VanDerWaalsContact OE2-C 3.32Å; E34-K56 PolarHBondContact OE2-N 3.12Å; E34-F59 HydrophobicContact CG-CB 4.15Å; E34-F59 HydrophobicContact CG-CD2 3.82Å; E34-F59 HydrophobicContact CG-CE2 4.4Å; E34-F59 HydrophobicContact CG-CG 4Å |
| 35 | Q | 91.6 | Very high | 89.8 | Confident | 138 Ų | 138 | 54.4 Ų | 54.4 | 65% | 0.645 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -63 | -42.4 | -178.4 | -65.8 | 179.1 | 14.8 | 0 | 0 | 112 | P31 E32 L33 V38 E39 | P31-Q35 PolarHBondContact O-N 3.08Å; E32-Q35 PolarHBondContact O-N 3.48Å; L33-Q35 VanDerWaalsContact C-N 3.33Å; L33-Q35 PolarHBondContact O-N 3.49Å; Q35-V38 PolarHBondContact O-N 3.18Å; Q35-E39 WeakPolarHBondContact O-CB 3.4Å; Q35-E39 PolarHBondContact O-N 2.92Å |
| 36 | I | 91.4 | Very high | 89.7 | Confident | 54 Ų | 54 | 54.1 Ų | 54.1 | 28% | 0.277 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61 | -46.7 | 176.2 | -67.4 | 169.8 | 0 | 0 | 0 | 110.4 | E32 L33 E34 V38 E39 W40 W156 | E32-I36 WeakPolarHBondContact O-CG1 3.21Å; E32-I36 PolarHBondContact O-N 2.91Å; E32-I36 VanDerWaalsContact O-N 3.14Å; L33-I36 PolarHBondContact O-N 3.5Å; E34-I36 VanDerWaalsContact C-N 3.35Å; E34-I36 PolarHBondContact O-N 3.43Å; I36-V38 PolarHBondContact O-N 3.38Å; I36-E39 PolarHBondContact O-N 2.76Å; I36-W40 WeakPolarHBondContact O-CB 3.2Å; I36-W40 PolarHBondContact O-N 3.42Å; I36-W156 HydrophobicContact CG2-CB 3.57Å; I36-W156 HydrophobicContact CG2-CD2 4.19Å; I36-W156 HydrophobicContact CG2-CG 3.61Å |
| 37 | L | 92.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.6 | -41.4 | 178.9 | -70.7 | 174.1 | 0 | 0 | 0 | 111.8 | L33 E34 W40 I41 F59 Q132 L135 F157 | L33-L37 HydrophobicContact CD1-CG 4.39Å; L33-L37 HydrophobicContact CG-CD1 4.1Å; L33-L37 HydrophobicContact CG-CG 4.31Å; L33-L37 WeakPolarHBondContact O-CB 3.41Å; L33-L37 VanDerWaalsContact O-CG 3.23Å; L33-L37 WeakPolarHBondContact O-CG 3.46Å; L33-L37 PolarHBondContact O-N 2.87Å; E34-L37 PolarHBondContact O-N 3.33Å; L37-W40 HydrophobicContact CD2-CE3 4.13Å; L37-W40 HydrophobicContact CD2-CZ3 4.47Å; L37-W40 PolarHBondContact O-N 2.85Å; L37-I41 WeakPolarHBondContact O-CB 3.49Å; L37-I41 WeakPolarHBondContact O-CD1 3.41Å; L37-I41 WeakPolarHBondContact O-CG1 3.33Å; L37-I41 PolarHBondContact O-N 3.11Å; L37-F59 HydrophobicContact CB-CE2 4.48Å; L37-F59 HydrophobicContact CD1-CZ 4.39Å; L37-Q132 HydrophobicContact CD1-CB 3.93Å; L37-Q132 HydrophobicContact CD1-CG 3.92Å; L37-L135 HydrophobicContact CD1-CB 4.18Å; L37-L135 HydrophobicContact CD1-CD1 4.34Å; L37-L135 HydrophobicContact CD2-CB 3.75Å; L37-F157 HydrophobicContact CD2-CE1 3.88Å; L37-F157 HydrophobicContact CD2-CZ 4.01Å |
| 38 | V | 92.2 | Very high | 88.5 | Confident | 18 Ų | 18 | 56.2 Ų | 56.2 | 11% | 0.109 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.5 | -47.1 | 177.2 | 169 | 0 | 0 | 0 | 0 | 111.3 | E34 Q35 I36 S42 P52 F59 W62 | E34-V38 HydrophobicContact CG-CG2 4.46Å; E34-V38 VanDerWaalsContact O-CG2 3.26Å; E34-V38 WeakPolarHBondContact O-CG2 3.4Å; E34-V38 PolarHBondContact O-N 2.96Å; Q35-V38 PolarHBondContact O-N 3.18Å; I36-V38 PolarHBondContact O-N 3.38Å; V38-S42 WeakPolarHBondContact O-CB 3.22Å; V38-S42 PolarHBondContact O-N 3.31Å; V38-S42 PolarHBondContact O-OG 3.38Å; V38-P52 HydrophobicContact CB-CG 4.36Å; V38-P52 HydrophobicContact CG1-CG 3.88Å; V38-P52 HydrophobicContact CG2-CG 3.47Å; V38-P52 VanDerWaalsContact CG2-CG 3.47Å; V38-F59 HydrophobicContact CG2-CD2 3.75Å; V38-F59 HydrophobicContact CG2-CE2 3.91Å; V38-W62 HydrophobicContact CG2-CZ3 3.99Å |
| 39 | E | 91.2 | Very high | 87.9 | Confident | 47 Ų | 47 | 50.5 Ų | 50.5 | 22% | 0.22 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.8 | -41.2 | 178.4 | -178 | 67.4 | -164.5 | 0 | 0 | 110.9 | Q35 I36 S42 R43 R51 W156 | Q35-E39 WeakPolarHBondContact O-CB 3.4Å; Q35-E39 PolarHBondContact O-N 2.92Å; I36-E39 PolarHBondContact O-N 2.76Å; E39-S42 PolarHBondContact O-N 3.39Å; E39-R43 WeakPolarHBondContact O-CG 3.45Å; E39-R43 PolarHBondContact O-N 3.01Å; E39-R43 IonicContact OE1-CZ 3.38Å; E39-R43 IonicContact OE1-NE 2.87Å; E39-R43 PolarHBondContact OE1-NE 2.98Å; E39-R43 IonicContact OE1-NH2 3Å; E39-R43 PolarHBondContact OE1-NH2 2.9Å; E39-R51 IonicContact OE2-CZ 3.58Å; E39-R51 IonicContact OE2-NH1 3.96Å; E39-R51 IonicContact OE2-NH2 2.76Å; E39-R51 PolarHBondContact OE2-NH2 2.82Å; E39-W156 HydrophobicContact CB-CH2 4.26Å; E39-W156 HydrophobicContact CB-CZ2 4.44Å; E39-W156 HydrophobicContact CG-CH2 3.44Å; E39-W156 VanDerWaalsContact CG-CH2 3.44Å; E39-W156 HydrophobicContact CG-CZ2 3.67Å; E39-W156 HydrophobicContact CG-CZ3 4.35Å |
| 40 | W | 91.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.4 | -52.9 | 174.9 | 172.3 | 52.5 | 0 | 0 | 0 | 112.3 | I36 L37 S42 R43 Q44 L72 L76 L138 Y150 W156 F157 | I36-W40 WeakPolarHBondContact O-CB 3.2Å; I36-W40 PolarHBondContact O-N 3.42Å; L37-W40 HydrophobicContact CD2-CE3 4.13Å; L37-W40 HydrophobicContact CD2-CZ3 4.47Å; L37-W40 PolarHBondContact O-N 2.85Å; W40-S42 VanDerWaalsContact C-N 3.25Å; W40-S42 PolarHBondContact O-N 2.83Å; W40-R43 PolarHBondContact O-N 3.45Å; W40-R43 VanDerWaalsContact O-N 3.08Å; W40-Q44 WeakPolarHBondContact O-CB 2.86Å; W40-Q44 PolarHBondContact O-N 3.35Å; W40-L72 HydrophobicContact CH2-CD1 3.98Å; W40-L72 HydrophobicContact CH2-CD2 4.03Å; W40-L72 HydrophobicContact CH2-CG 4.32Å; W40-L72 HydrophobicContact CZ2-CD1 4.07Å; W40-L72 HydrophobicContact CZ3-CD1 4.23Å; W40-L72 HydrophobicContact CZ3-CD2 3.9Å; W40-L76 HydrophobicContact CZ2-CD1 4.43Å; W40-L76 HydrophobicContact CZ2-CD2 4.5Å; W40-L138 HydrophobicContact CH2-CB 4.49Å; W40-L138 HydrophobicContact CH2-CD2 4.31Å; W40-L138 HydrophobicContact CH2-CG 4.24Å; W40-Y150 AromaticContact CD1-CE2 3.68Å; W40-Y150 AromaticContact CD1-CZ 3.96Å; W40-Y150 AromaticContact CE2-CE2 3.9Å; W40-Y150 HydrophobicContact CZ2-CE2 4.42Å; W40-Y150 AromaticContact NE1-CD2 3.72Å; W40-Y150 AromaticContact NE1-CE2 3.13Å; W40-Y150 AromaticContact NE1-CZ 3.87Å; W40-W156 HydrophobicContact CB-CE3 3.86Å; W40-W156 HydrophobicContact CB-CZ3 3.99Å; W40-W156 HydrophobicContact CG-CE3 4.48Å; W40-F157 HydrophobicContact CB-CE2 4.03Å; W40-F157 HydrophobicContact CB-CZ 4.03Å; W40-F157 AromaticContact CD1-CE2 3.83Å; W40-F157 AromaticContact CD2-CE2 3.5Å; W40-F157 HydrophobicContact CD2-CE2 3.5Å; W40-F157 AromaticContact CD2-CZ 3.55Å; W40-F157 HydrophobicContact CD2-CZ 3.55Å; W40-F157 AromaticContact CE2-CE2 3.85Å; W40-F157 AromaticContact CE3-CE2 3.98Å; W40-F157 HydrophobicContact CE3-CE2 3.98Å; W40-F157 AromaticContact CE3-CZ 3.53Å; W40-F157 HydrophobicContact CE3-CZ 3.53Å; W40-F157 AromaticContact CG-CE2 3.5Å; W40-F157 HydrophobicContact CG-CE2 3.5Å; W40-F157 VanDerWaalsContact CG-CE2 3.5Å; W40-F157 AromaticContact CG-CZ 3.76Å; W40-F157 HydrophobicContact CG-CZ 3.76Å; W40-F157 HydrophobicContact CZ3-CZ 4.18Å |
| 41 | I | 91.1 | Very high | 87.2 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.4 | -40.1 | 179.5 | -66.6 | 167.4 | 0 | 0 | 0 | 110.6 | L37 R43 Q44 C45 V49 W62 L63 V68 L72 L135 | L37-I41 WeakPolarHBondContact O-CB 3.49Å; L37-I41 WeakPolarHBondContact O-CD1 3.41Å; L37-I41 WeakPolarHBondContact O-CG1 3.33Å; L37-I41 PolarHBondContact O-N 3.11Å; I41-R43 VanDerWaalsContact C-N 3.34Å; I41-R43 PolarHBondContact O-N 3.08Å; I41-Q44 PolarHBondContact O-N 3.29Å; I41-C45 WeakPolarHBondContact O-CB 3.49Å; I41-C45 PolarHBondContact O-N 2.86Å; I41-V49 HydrophobicContact CG2-CG2 4.42Å; I41-W62 HydrophobicContact CB-CH2 3.83Å; I41-W62 HydrophobicContact CB-CZ3 4.44Å; I41-W62 HydrophobicContact CD1-CH2 4.28Å; I41-W62 HydrophobicContact CD1-CZ3 4.06Å; I41-W62 HydrophobicContact CG2-CH2 3.51Å; I41-W62 HydrophobicContact CG2-CZ2 4.04Å; I41-W62 HydrophobicContact CG2-CZ3 4.31Å; I41-L63 HydrophobicContact CD1-CD2 4.49Å; I41-V68 HydrophobicContact CG2-CG1 3.55Å; I41-L72 HydrophobicContact CD1-CD2 4.31Å; I41-L72 HydrophobicContact CG1-CD1 4.05Å; I41-L72 HydrophobicContact CG1-CD2 3.93Å; I41-L135 HydrophobicContact CD1-CD1 4.25Å |
| 42 | S | 90.7 | Very high | 87.2 | Confident | 16 Ų | 16 | 53 Ų | 53 | 11% | 0.112 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.7 | -40.6 | 176.4 | -58.8 | 0 | 0 | 0 | 0 | 112.3 | V38 E39 W40 G46 | V38-S42 WeakPolarHBondContact O-CB 3.22Å; V38-S42 PolarHBondContact O-N 3.31Å; V38-S42 PolarHBondContact O-OG 3.38Å; E39-S42 PolarHBondContact O-N 3.39Å; W40-S42 VanDerWaalsContact C-N 3.25Å; W40-S42 PolarHBondContact O-N 2.83Å; S42-G46 CarbonylContact O-C 3.38Å; S42-G46 WeakPolarHBondContact O-CA 3.5Å; S42-G46 PolarHBondContact O-N 3.24Å |
| 43 | R | 89 | Confident | 87.1 | Confident | 130 Ų | 130 | 54 Ų | 54 | 49% | 0.491 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -74.8 | -35.3 | 177.7 | -71 | -169.2 | -172.6 | -166 | 3.5 | 112.7 | E39 W40 I41 | E39-R43 WeakPolarHBondContact O-CG 3.45Å; E39-R43 PolarHBondContact O-N 3.01Å; E39-R43 IonicContact OE1-CZ 3.38Å; E39-R43 IonicContact OE1-NE 2.87Å; E39-R43 PolarHBondContact OE1-NE 2.98Å; E39-R43 IonicContact OE1-NH2 3Å; E39-R43 PolarHBondContact OE1-NH2 2.9Å; W40-R43 PolarHBondContact O-N 3.45Å; W40-R43 VanDerWaalsContact O-N 3.08Å; I41-R43 VanDerWaalsContact C-N 3.34Å; I41-R43 PolarHBondContact O-N 3.08Å |
| 44 | Q | 87.9 | Confident | 86.7 | Confident | 8 Ų | 8 | 57 Ų | 57 | 4% | 0.037 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -75.2 | -42.4 | -176 | -174.3 | 61.3 | 46.4 | 0 | 0 | 112.1 | W40 I41 L72 S75 L76 T149 N151 | W40-Q44 WeakPolarHBondContact O-CB 2.86Å; W40-Q44 PolarHBondContact O-N 3.35Å; I41-Q44 PolarHBondContact O-N 3.29Å; Q44-L72 HydrophobicContact CB-CD1 3.95Å; Q44-L72 HydrophobicContact CG-CD1 3.61Å; Q44-S75 WeakPolarHBondContact CG-OG 3.44Å; Q44-S75 PolarHBondContact NE2-OG 3.46Å; Q44-L76 HydrophobicContact CG-CD2 4.21Å; Q44-T149 PolarHBondContact NE2-O 3.42Å; Q44-N151 PolarHBondContact OE1-O 3.32Å |
| 45 | C | 86.1 | Confident | 86.4 | Confident | 31 Ų | 31 | 57.8 Ų | 57.8 | 21% | 0.209 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -92.5 | -18.7 | 178.4 | -56.7 | 0 | 0 | 0 | 0 | 113.6 | I41 V49 E71 L72 | I41-C45 WeakPolarHBondContact O-CB 3.49Å; I41-C45 PolarHBondContact O-N 2.86Å; C45-V49 HydrophobicContact CB-CB 4.35Å; C45-V49 HydrophobicContact CB-CG1 3.48Å; C45-V49 VanDerWaalsContact CB-CG1 3.48Å; C45-V49 HydrophobicContact CB-CG2 3.87Å; C45-E71 HydrophobicContact CB-CB 4.48Å; C45-L72 WeakPolarHBondContact SG-CA 3.47Å; C45-L72 PolarHBondContact SG-N 3.49Å; C45-L72 VanDerWaalsContact SG-N 3.36Å |
| 46 | G | 82.9 | Confident | 86.1 | Confident | 30 Ų | 30 | 53.6 Ų | 53.6 | 31% | 0.309 | 32% | 0.324 | S | S | . | . | trans | 83.2 | -170.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | S42 G48 V49 | S42-G46 CarbonylContact O-C 3.38Å; S42-G46 WeakPolarHBondContact O-CA 3.5Å; S42-G46 PolarHBondContact O-N 3.24Å; G46-G48 PolarHBondContact O-N 3.38Å; G46-G48 VanDerWaalsContact O-N 3.09Å; G46-V49 WeakPolarHBondContact O-CG2 3.44Å | ||
| 47 | S | 71.8 | Confident | 85.9 | Confident | 127 Ų | 127 | 57.5 Ų | 57.5 | 89% | 0.888 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -69.7 | -6.1 | -173 | 58.1 | 0 | 0 | 0 | 0 | 115.4 | ||
| 48 | G | 72.1 | Confident | 85.9 | Confident | 70 Ų | 70 | 58 Ų | 58 | 72% | 0.722 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -71.9 | -28.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | G46 G50 | G46-G48 PolarHBondContact O-N 3.38Å; G46-G48 VanDerWaalsContact O-N 3.09Å; G48-G50 VanDerWaalsContact C-N 3.34Å |
| 49 | V | 79.1 | Confident | 85.8 | Confident | 15 Ų | 15 | 57.1 Ų | 57.1 | 9% | 0.091 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -80.1 | -13.3 | -178.3 | -68.6 | 0 | 0 | 0 | 0 | 113.8 | I41 C45 G46 W62 V68 E71 | I41-V49 HydrophobicContact CG2-CG2 4.42Å; C45-V49 HydrophobicContact CB-CB 4.35Å; C45-V49 HydrophobicContact CB-CG1 3.48Å; C45-V49 VanDerWaalsContact CB-CG1 3.48Å; C45-V49 HydrophobicContact CB-CG2 3.87Å; G46-V49 WeakPolarHBondContact O-CG2 3.44Å; V49-W62 HydrophobicContact CB-CZ2 4.16Å; V49-W62 HydrophobicContact CG2-CZ2 4.06Å; V49-W62 PolarHBondContact O-NE1 3.48Å; V49-V68 HydrophobicContact CB-CG1 4.13Å; V49-V68 HydrophobicContact CB-CG2 4.15Å; V49-V68 HydrophobicContact CG1-CB 4.4Å; V49-V68 HydrophobicContact CG1-CG1 4.05Å; V49-V68 HydrophobicContact CG1-CG2 4.26Å; V49-E71 HydrophobicContact CG1-CB 4.3Å; V49-E71 WeakPolarHBondContact CG1-OE2 3.45Å |
| 50 | G | 82.4 | Confident | 85.9 | Confident | 38 Ų | 38 | 56 Ų | 56 | 39% | 0.392 | 34% | 0.34 | S | S | . | . | trans | 66.6 | -166.2 | -173 | 0 | 0 | 0 | 0 | 0 | 113.2 | G48 W62 | G48-G50 VanDerWaalsContact C-N 3.34Å; G50-W62 WeakPolarHBondContact O-CZ2 3.49Å | ||
| 51 | R | 85.9 | Confident | 86 | Confident | 167 Ų | 167 | 59.2 Ų | 59.2 | 63% | 0.63 | 37% | 0.367 | S | S | * | . | trans | -130.1 | 142 | 175.4 | -72.3 | -177.4 | 175.6 | -158.9 | -9.6 | 109.8 | E39 | E39-R51 IonicContact OE2-CZ 3.58Å; E39-R51 IonicContact OE2-NH1 3.96Å; E39-R51 IonicContact OE2-NH2 2.76Å; E39-R51 PolarHBondContact OE2-NH2 2.82Å | ||
| 52 | P | 89.6 | Confident | 86 | Confident | 25 Ų | 25 | 60.7 Ų | 60.7 | 16% | 0.162 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 159.7 | 176.7 | 29.8 | -33.3 | 0 | 0 | 0 | 111.6 | V38 W62 | V38-P52 HydrophobicContact CB-CG 4.36Å; V38-P52 HydrophobicContact CG1-CG 3.88Å; V38-P52 HydrophobicContact CG2-CG 3.47Å; V38-P52 VanDerWaalsContact CG2-CG 3.47Å; P52-W62 HydrophobicContact CB-CB 3.73Å; P52-W62 HydrophobicContact CB-CD2 4Å; P52-W62 HydrophobicContact CB-CE3 4Å; P52-W62 HydrophobicContact CB-CG 3.93Å; P52-W62 HydrophobicContact CG-CD2 4.03Å; P52-W62 HydrophobicContact CG-CE3 3.67Å; P52-W62 HydrophobicContact CG-CG 4.48Å; P52-W62 HydrophobicContact CG-CZ3 4.09Å |
| 53 | E | 87.5 | Confident | 86.2 | Confident | 163 Ų | 163 | 59.9 Ų | 59.9 | 76% | 0.762 | 37% | 0.367 | S | S | * | . | P | Polyproline II helix | trans | -64.2 | 150.5 | 161 | -67.5 | -175.5 | 169.8 | 0 | 0 | 110.1 | G55 G58 | E53-G55 PolarHBondContact O-N 3.31Å; E53-G58 WeakPolarHBondContact O-CA 3.15Å |
| 54 | A | 83.1 | Confident | 86.3 | Confident | 106 Ų | 106 | 56.1 Ų | 56.1 | 88% | 0.876 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -61.6 | 133 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 55 | G | 85.1 | Confident | 86.3 | Confident | 30 Ų | 30 | 57.2 Ų | 57.2 | 31% | 0.309 | 36% | 0.36 | S | S | . | . | S | Bend | trans | 98.7 | 167.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | E34 E53 L57 G58 F59 | E34-G55 WeakPolarHBondContact OE1-CA 3.19Å; E34-G55 PolarHBondContact OE1-N 3.16Å; E34-G55 VanDerWaalsContact OE2-C 3.32Å; E53-G55 PolarHBondContact O-N 3.31Å; G55-L57 VanDerWaalsContact C-N 3.27Å; G55-L57 PolarHBondContact O-N 3.38Å; G55-G58 PolarHBondContact O-N 2.62Å; G55-F59 PolarHBondContact O-N 2.96Å |
| 56 | K | 86.3 | Confident | 86.5 | Confident | 50 Ų | 50 | 55.8 Ų | 55.8 | 22% | 0.217 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -49 | -40.1 | -171.2 | -176.1 | 176.1 | 178.2 | -177.4 | 0 | 114.9 | D26 Y29 E34 Q60 L128 | D26-K56 IonicContact OD1-NZ 3.57Å; D26-K56 PolarHBondContact OD1-NZ 2.97Å; D26-K56 IonicContact OD2-NZ 3.28Å; D26-K56 PolarHBondContact OD2-NZ 3.13Å; Y29-K56 HydrophobicContact CD2-CD 4.28Å; Y29-K56 HydrophobicContact CD2-CG 4.37Å; Y29-K56 HydrophobicContact CE1-CB 4.01Å; Y29-K56 HydrophobicContact CE1-CG 4.35Å; Y29-K56 HydrophobicContact CE2-CD 4.46Å; Y29-K56 HydrophobicContact CE2-CG 4.05Å; Y29-K56 HydrophobicContact CG-CD 4.28Å; E34-K56 PolarHBondContact OE2-N 3.12Å; K56-Q60 WeakPolarHBondContact O-CB 3.35Å; K56-Q60 PolarHBondContact O-N 3.18Å; K56-L128 HydrophobicContact CD-CD1 4Å; K56-L128 HydrophobicContact CG-CB 4.36Å; K56-L128 HydrophobicContact CG-CD1 3.28Å; K56-L128 HydrophobicContact CG-CG 4.41Å |
| 57 | L | 87.6 | Confident | 86.9 | Confident | 136 Ų | 136 | 55 Ų | 55 | 71% | 0.712 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -72.1 | -39.2 | 179.9 | -66.9 | 177.6 | 0 | 0 | 0 | 112.6 | G55 Q60 A61 | G55-L57 VanDerWaalsContact C-N 3.27Å; G55-L57 PolarHBondContact O-N 3.38Å; L57-Q60 PolarHBondContact O-N 2.93Å; L57-A61 WeakPolarHBondContact O-CB 3.46Å; L57-A61 PolarHBondContact O-N 3.06Å |
| 58 | G | 90.3 | Very high | 87.9 | Confident | 10 Ų | 10 | 49.4 Ų | 49.4 | 10% | 0.103 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.6 | -44.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | E53 G55 Q60 A61 W62 | E53-G58 WeakPolarHBondContact O-CA 3.15Å; G55-G58 PolarHBondContact O-N 2.62Å; G58-Q60 VanDerWaalsContact C-N 3.34Å; G58-Q60 PolarHBondContact O-N 3.36Å; G58-A61 PolarHBondContact O-N 3.09Å; G58-W62 WeakPolarHBondContact O-CB 3.46Å; G58-W62 PolarHBondContact O-N 3.28Å |
| 59 | F | 92 | Very high | 88.9 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57.6 | -45.6 | 173.5 | -174 | -104 | 0 | 0 | 0 | 112.2 | E34 L37 V38 G55 W62 L63 V131 Q132 L135 | E34-F59 HydrophobicContact CG-CB 4.15Å; E34-F59 HydrophobicContact CG-CD2 3.82Å; E34-F59 HydrophobicContact CG-CE2 4.4Å; E34-F59 HydrophobicContact CG-CG 4Å; L37-F59 HydrophobicContact CB-CE2 4.48Å; L37-F59 HydrophobicContact CD1-CZ 4.39Å; V38-F59 HydrophobicContact CG2-CD2 3.75Å; V38-F59 HydrophobicContact CG2-CE2 3.91Å; G55-F59 PolarHBondContact O-N 2.96Å; F59-W62 HydrophobicContact CD2-CE3 4.33Å; F59-W62 HydrophobicContact CE2-CE3 4.47Å; F59-W62 HydrophobicContact CE2-CZ3 4.39Å; F59-L63 HydrophobicContact CD1-CD1 4.17Å; F59-L63 HydrophobicContact CD2-CD1 4.48Å; F59-L63 HydrophobicContact CE1-CD1 3.54Å; F59-L63 HydrophobicContact CE2-CD1 3.91Å; F59-L63 HydrophobicContact CZ-CD1 3.4Å; F59-L63 PolarHBondContact O-N 3.48Å; F59-V131 HydrophobicContact CE1-CG1 4.42Å; F59-Q132 HydrophobicContact CE1-CG 4.49Å; F59-L135 HydrophobicContact CZ-CD1 3.98Å |
| 60 | Q | 93.1 | Very high | 89.6 | Confident | 24 Ų | 24 | 45.3 Ų | 45.3 | 11% | 0.112 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.4 | -52.5 | 175 | -176.4 | -173.1 | -2.3 | 0 | 0 | 111.6 | K56 L57 G58 W62 L63 K64 L122 W123 L128 | K56-Q60 WeakPolarHBondContact O-CB 3.35Å; K56-Q60 PolarHBondContact O-N 3.18Å; L57-Q60 PolarHBondContact O-N 2.93Å; G58-Q60 VanDerWaalsContact C-N 3.34Å; G58-Q60 PolarHBondContact O-N 3.36Å; Q60-W62 PolarHBondContact O-N 3.27Å; Q60-L63 PolarHBondContact O-N 3.09Å; Q60-K64 WeakPolarHBondContact O-CA 3.39Å; Q60-K64 WeakPolarHBondContact O-CB 3.38Å; Q60-K64 PolarHBondContact O-N 2.66Å; Q60-L122 HydrophobicContact CG-CD1 4.37Å; Q60-L122 WeakPolarHBondContact CG-O 3.44Å; Q60-L122 PolarHBondContact NE2-O 2.75Å; Q60-W123 PolarHBondContact NE2-O 2.93Å; Q60-L128 HydrophobicContact CB-CD1 3.82Å; Q60-L128 HydrophobicContact CB-CD2 4.08Å; Q60-L128 HydrophobicContact CG-CD1 4.25Å; Q60-L128 HydrophobicContact CG-CD2 4.01Å |
| 61 | A | 91.5 | Very high | 90 | Very high | 68 Ų | 68 | 46.8 Ų | 46.8 | 56% | 0.562 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -59.3 | -36.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L57 G58 | L57-A61 WeakPolarHBondContact O-CB 3.46Å; L57-A61 PolarHBondContact O-N 3.06Å; G58-A61 PolarHBondContact O-N 3.09Å |
| 62 | W | 93.1 | Very high | 90.3 | Very high | 30 Ų | 30 | 38.9 Ų | 38.9 | 11% | 0.114 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.5 | -39.8 | 177.6 | -177.7 | 50.5 | 0 | 0 | 0 | 113.7 | V38 I41 V49 G50 P52 G58 F59 Q60 V68 | V38-W62 HydrophobicContact CG2-CZ3 3.99Å; I41-W62 HydrophobicContact CB-CH2 3.83Å; I41-W62 HydrophobicContact CB-CZ3 4.44Å; I41-W62 HydrophobicContact CD1-CH2 4.28Å; I41-W62 HydrophobicContact CD1-CZ3 4.06Å; I41-W62 HydrophobicContact CG2-CH2 3.51Å; I41-W62 HydrophobicContact CG2-CZ2 4.04Å; I41-W62 HydrophobicContact CG2-CZ3 4.31Å; V49-W62 HydrophobicContact CB-CZ2 4.16Å; V49-W62 HydrophobicContact CG2-CZ2 4.06Å; V49-W62 PolarHBondContact O-NE1 3.48Å; G50-W62 WeakPolarHBondContact O-CZ2 3.49Å; P52-W62 HydrophobicContact CB-CB 3.73Å; P52-W62 HydrophobicContact CB-CD2 4Å; P52-W62 HydrophobicContact CB-CE3 4Å; P52-W62 HydrophobicContact CB-CG 3.93Å; P52-W62 HydrophobicContact CG-CD2 4.03Å; P52-W62 HydrophobicContact CG-CE3 3.67Å; P52-W62 HydrophobicContact CG-CG 4.48Å; P52-W62 HydrophobicContact CG-CZ3 4.09Å; G58-W62 WeakPolarHBondContact O-CB 3.46Å; G58-W62 PolarHBondContact O-N 3.28Å; F59-W62 HydrophobicContact CD2-CE3 4.33Å; F59-W62 HydrophobicContact CE2-CE3 4.47Å; F59-W62 HydrophobicContact CE2-CZ3 4.39Å; Q60-W62 PolarHBondContact O-N 3.27Å; W62-V68 HydrophobicContact CD2-CG1 4.44Å; W62-V68 HydrophobicContact CD2-CG2 4.47Å; W62-V68 HydrophobicContact CH2-CG1 4.09Å; W62-V68 HydrophobicContact CZ2-CG1 3.75Å; W62-V68 HydrophobicContact CZ2-CG2 4.46Å |
| 63 | L | 93 | Very high | 90.4 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -90.4 | -15.9 | -179.7 | -61.9 | -178.5 | 0 | 0 | 0 | 113.5 | I41 F59 Q60 D65 G66 V68 L69 L122 V131 L135 | I41-L63 HydrophobicContact CD1-CD2 4.49Å; F59-L63 HydrophobicContact CD1-CD1 4.17Å; F59-L63 HydrophobicContact CD2-CD1 4.48Å; F59-L63 HydrophobicContact CE1-CD1 3.54Å; F59-L63 HydrophobicContact CE2-CD1 3.91Å; F59-L63 HydrophobicContact CZ-CD1 3.4Å; F59-L63 PolarHBondContact O-N 3.48Å; Q60-L63 PolarHBondContact O-N 3.09Å; L63-D65 VanDerWaalsContact C-N 3.26Å; L63-D65 PolarHBondContact O-N 3.28Å; L63-G66 PolarHBondContact O-N 3.31Å; L63-V68 HydrophobicContact CD2-CB 3.89Å; L63-V68 HydrophobicContact CD2-CG1 3.65Å; L63-L69 HydrophobicContact CB-CG 4.42Å; L63-L69 HydrophobicContact CD1-CD2 4.3Å; L63-L69 HydrophobicContact CD2-CD2 3.96Å; L63-L69 HydrophobicContact CD2-CG 4.17Å; L63-L122 HydrophobicContact CB-CD1 3.85Å; L63-L122 HydrophobicContact CB-CD2 4.06Å; L63-V131 HydrophobicContact CD1-CG1 4.28Å; L63-L135 HydrophobicContact CD1-CD1 4.04Å |
| 64 | K | 91.7 | Very high | 90.6 | Very high | 50 Ų | 50 | 30.3 Ų | 30.3 | 22% | 0.217 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -29.2 | -170.8 | 178.6 | 169.9 | -178.5 | 166.2 | 0 | 114.3 | Q60 G66 I99 W123 | Q60-K64 WeakPolarHBondContact O-CA 3.39Å; Q60-K64 WeakPolarHBondContact O-CB 3.38Å; Q60-K64 PolarHBondContact O-N 2.66Å; K64-G66 VanDerWaalsContact C-N 3.27Å; K64-I99 WeakPolarHBondContact O-CD1 3.43Å; K64-W123 WeakPolarHBondContact CE-O 3.3Å; K64-W123 HydrophobicContact CG-CG 4.36Å; K64-W123 PolarHBondContact NZ-O 3.44Å; K64-W123 VanDerWaalsContact NZ-O 3.1Å |
| 65 | D | 88.6 | Confident | 90.9 | Very high | 32 Ų | 32 | 27 Ų | 27 | 17% | 0.171 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -12.6 | 178.8 | 84 | -17.1 | 0 | 0 | 0 | 113.2 | L63 C67 S88 | L63-D65 VanDerWaalsContact C-N 3.26Å; L63-D65 PolarHBondContact O-N 3.28Å; D65-C67 PolarHBondContact O-N 3.37Å; D65-C67 WeakPolarHBondContact OD1-CB 3.33Å; D65-C67 PolarHBondContact OD1-N 2.96Å; D65-C67 PolarHBondContact OD2-SG 3.14Å; D65-S88 PolarHBondContact OD2-OG 2.91Å |
| 66 | G | 89.8 | Confident | 91 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | S | Bend | trans | 75.7 | -1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | L63 K64 S70 Q98 | L63-G66 PolarHBondContact O-N 3.31Å; K64-G66 VanDerWaalsContact C-N 3.27Å; G66-S70 WeakPolarHBondContact O-CB 3.49Å; G66-S70 PolarHBondContact O-N 2.89Å; G66-S70 PolarHBondContact O-OG 3.24Å; G66-Q98 PolarHBondContact O-NE2 2.89Å |
| 67 | C | 91.4 | Very high | 91 | Very high | 13 Ų | 13 | 25.8 Ų | 25.8 | 9% | 0.088 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -69.3 | -51.5 | -179.5 | -66.2 | 0 | 0 | 0 | 0 | 111.3 | D65 L69 S70 E71 I86 S88 Q98 | D65-C67 PolarHBondContact O-N 3.37Å; D65-C67 WeakPolarHBondContact OD1-CB 3.33Å; D65-C67 PolarHBondContact OD1-N 2.96Å; D65-C67 PolarHBondContact OD2-SG 3.14Å; C67-L69 VanDerWaalsContact C-N 3.29Å; C67-L69 PolarHBondContact O-N 2.97Å; C67-S70 WeakPolarHBondContact O-CB 3.01Å; C67-S70 PolarHBondContact O-N 3.35Å; C67-E71 PolarHBondContact O-N 2.78Å; C67-I86 HydrophobicContact CB-CG2 3.9Å; C67-S88 VanDerWaalsContact SG-CA 3.54Å; C67-S88 PolarHBondContact SG-N 3.43Å; C67-S88 VanDerWaalsContact SG-N 3.44Å; C67-Q98 VanDerWaalsContact CA-NE2 3.28Å; C67-Q98 PolarHBondContact SG-NE2 3.36Å |
| 68 | V | 93.4 | Very high | 90.4 | Very high | 10 Ų | 10 | 24 Ų | 24 | 6% | 0.061 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -58.2 | -43.1 | 178.7 | 178.7 | 0 | 0 | 0 | 0 | 111.4 | I41 V49 W62 L63 S70 E71 L72 | I41-V68 HydrophobicContact CG2-CG1 3.55Å; V49-V68 HydrophobicContact CB-CG1 4.13Å; V49-V68 HydrophobicContact CB-CG2 4.15Å; V49-V68 HydrophobicContact CG1-CB 4.4Å; V49-V68 HydrophobicContact CG1-CG1 4.05Å; V49-V68 HydrophobicContact CG1-CG2 4.26Å; W62-V68 HydrophobicContact CD2-CG1 4.44Å; W62-V68 HydrophobicContact CD2-CG2 4.47Å; W62-V68 HydrophobicContact CH2-CG1 4.09Å; W62-V68 HydrophobicContact CZ2-CG1 3.75Å; W62-V68 HydrophobicContact CZ2-CG2 4.46Å; L63-V68 HydrophobicContact CD2-CB 3.89Å; L63-V68 HydrophobicContact CD2-CG1 3.65Å; V68-S70 VanDerWaalsContact C-N 3.31Å; V68-S70 PolarHBondContact O-N 3.4Å; V68-E71 PolarHBondContact O-N 2.73Å; V68-L72 WeakPolarHBondContact O-CB 3.46Å; V68-L72 PolarHBondContact O-N 3.46Å |
| 69 | L | 93.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.9 | -40.1 | 176.9 | -68.5 | 179.9 | 0 | 0 | 0 | 112 | L63 C67 L72 I73 F102 F117 L122 L135 | L63-L69 HydrophobicContact CB-CG 4.42Å; L63-L69 HydrophobicContact CD1-CD2 4.3Å; L63-L69 HydrophobicContact CD2-CD2 3.96Å; L63-L69 HydrophobicContact CD2-CG 4.17Å; C67-L69 VanDerWaalsContact C-N 3.29Å; C67-L69 PolarHBondContact O-N 2.97Å; L69-L72 WeakPolarHBondContact O-CB 3.24Å; L69-L72 PolarHBondContact O-N 2.85Å; L69-I73 PolarHBondContact O-N 2.91Å; L69-F102 HydrophobicContact CB-CB 4.07Å; L69-F102 HydrophobicContact CB-CD1 4.22Å; L69-F102 HydrophobicContact CB-CD2 3.78Å; L69-F102 HydrophobicContact CB-CE2 4.27Å; L69-F102 HydrophobicContact CB-CG 3.74Å; L69-F102 HydrophobicContact CD1-CD1 4.07Å; L69-F102 HydrophobicContact CD1-CE1 4.44Å; L69-F102 HydrophobicContact CD1-CG 4.38Å; L69-F102 HydrophobicContact CD2-CE1 4.33Å; L69-F102 HydrophobicContact CD2-CE2 4.38Å; L69-F102 HydrophobicContact CD2-CZ 4.21Å; L69-F102 WeakPolarHBondContact O-CD2 3.37Å; L69-F117 HydrophobicContact CD1-CZ 4.09Å; L69-L122 HydrophobicContact CD1-CD2 3.47Å; L69-L122 VanDerWaalsContact CD1-CD2 3.47Å; L69-L135 HydrophobicContact CD2-CD2 3.82Å |
| 70 | S | 92.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -69 | -38.6 | 179.2 | -59.9 | 0 | 0 | 0 | 0 | 112 | G66 C67 V68 I73 N74 Q98 | G66-S70 WeakPolarHBondContact O-CB 3.49Å; G66-S70 PolarHBondContact O-N 2.89Å; G66-S70 PolarHBondContact O-OG 3.24Å; C67-S70 WeakPolarHBondContact O-CB 3.01Å; C67-S70 PolarHBondContact O-N 3.35Å; V68-S70 VanDerWaalsContact C-N 3.31Å; V68-S70 PolarHBondContact O-N 3.4Å; S70-I73 WeakPolarHBondContact O-CG2 3.36Å; S70-N74 VanDerWaalsContact O-CB 3.24Å; S70-N74 WeakPolarHBondContact O-CB 3.39Å; S70-N74 PolarHBondContact O-N 3.49Å; S70-N74 VanDerWaalsContact O-N 3.08Å; S70-N74 PolarHBondContact O-ND2 2.88Å; S70-Q98 WeakPolarHBondContact OG-CG 3.43Å |
| 71 | E | 91.4 | Very high | 88.7 | Confident | 69 Ų | 69 | 36.5 Ų | 36.5 | 32% | 0.322 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -65.2 | -42.3 | 172.8 | -70.8 | -176 | -169.1 | 0 | 0 | 111.5 | C45 V49 C67 V68 N74 S75 I86 | C45-E71 HydrophobicContact CB-CB 4.48Å; V49-E71 HydrophobicContact CG1-CB 4.3Å; V49-E71 WeakPolarHBondContact CG1-OE2 3.45Å; C67-E71 PolarHBondContact O-N 2.78Å; V68-E71 PolarHBondContact O-N 2.73Å; E71-N74 PolarHBondContact O-N 2.92Å; E71-S75 WeakPolarHBondContact O-CB 3.19Å; E71-S75 PolarHBondContact O-N 3.24Å; E71-I86 HydrophobicContact CG-CD1 3.71Å; E71-I86 HydrophobicContact CG-CG2 4.46Å |
| 72 | L | 92.3 | Very high | 88.5 | Confident | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -57.2 | -56.1 | 177.8 | 179.2 | 66.7 | 0 | 0 | 0 | 111.1 | W40 I41 Q44 C45 V68 L69 N74 S75 L76 L135 L138 | W40-L72 HydrophobicContact CH2-CD1 3.98Å; W40-L72 HydrophobicContact CH2-CD2 4.03Å; W40-L72 HydrophobicContact CH2-CG 4.32Å; W40-L72 HydrophobicContact CZ2-CD1 4.07Å; W40-L72 HydrophobicContact CZ3-CD1 4.23Å; W40-L72 HydrophobicContact CZ3-CD2 3.9Å; I41-L72 HydrophobicContact CD1-CD2 4.31Å; I41-L72 HydrophobicContact CG1-CD1 4.05Å; I41-L72 HydrophobicContact CG1-CD2 3.93Å; Q44-L72 HydrophobicContact CB-CD1 3.95Å; Q44-L72 HydrophobicContact CG-CD1 3.61Å; C45-L72 WeakPolarHBondContact SG-CA 3.47Å; C45-L72 PolarHBondContact SG-N 3.49Å; C45-L72 VanDerWaalsContact SG-N 3.36Å; V68-L72 WeakPolarHBondContact O-CB 3.46Å; V68-L72 PolarHBondContact O-N 3.46Å; L69-L72 WeakPolarHBondContact O-CB 3.24Å; L69-L72 PolarHBondContact O-N 2.85Å; L72-N74 VanDerWaalsContact C-N 3.32Å; L72-N74 PolarHBondContact O-N 3.27Å; L72-S75 PolarHBondContact O-N 3.24Å; L72-S75 PolarHBondContact O-OG 2.9Å; L72-L76 PolarHBondContact O-N 3.06Å; L72-L135 HydrophobicContact CD2-CD2 3.64Å; L72-L138 HydrophobicContact CD2-CD2 4.17Å |
| 73 | I | 91.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.2 | -40.6 | -178.7 | -166.3 | 59.6 | 0 | 0 | 0 | 111 | L69 S70 S75 L76 F77 P82 I83 F102 A105 Y109 L138 | L69-I73 PolarHBondContact O-N 2.91Å; S70-I73 WeakPolarHBondContact O-CG2 3.36Å; I73-S75 VanDerWaalsContact C-N 3.27Å; I73-S75 PolarHBondContact O-N 3.4Å; I73-L76 HydrophobicContact CD1-CD1 4.32Å; I73-L76 WeakPolarHBondContact O-CB 3.45Å; I73-L76 PolarHBondContact O-N 3.36Å; I73-L76 VanDerWaalsContact O-N 3.09Å; I73-F77 HydrophobicContact CD1-CD2 4.43Å; I73-F77 HydrophobicContact CD1-CE2 3.81Å; I73-F77 HydrophobicContact CG1-CD2 4.3Å; I73-F77 HydrophobicContact CG1-CE2 3.82Å; I73-F77 VanDerWaalsContact O-CD2 3.3Å; I73-F77 WeakPolarHBondContact O-CD2 3.42Å; I73-P82 HydrophobicContact CG1-CG 4.44Å; I73-P82 HydrophobicContact CG2-CG 4.47Å; I73-I83 HydrophobicContact CG2-CD1 3.69Å; I73-I83 HydrophobicContact CG2-CG1 4.43Å; I73-F102 HydrophobicContact CB-CD2 3.84Å; I73-F102 HydrophobicContact CB-CE2 4.02Å; I73-F102 HydrophobicContact CG2-CD2 3.89Å; I73-A105 HydrophobicContact CG1-CB 3.68Å; I73-A105 HydrophobicContact CG2-CB 4.11Å; I73-Y109 HydrophobicContact CD1-CG 4.3Å; I73-L138 HydrophobicContact CD1-CD1 3.8Å; I73-L138 HydrophobicContact CD1-CD2 4.14Å |
| 74 | N | 91.6 | Very high | 87.9 | Confident | 8 Ų | 8 | 42.2 Ų | 42.2 | 4% | 0.043 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.1 | -33.5 | 178.1 | -82.3 | -13.6 | 0 | 0 | 0 | 113.5 | S70 E71 L72 L76 F77 K81 P82 I83 I86 | S70-N74 VanDerWaalsContact O-CB 3.24Å; S70-N74 WeakPolarHBondContact O-CB 3.39Å; S70-N74 PolarHBondContact O-N 3.49Å; S70-N74 VanDerWaalsContact O-N 3.08Å; S70-N74 PolarHBondContact O-ND2 2.88Å; E71-N74 PolarHBondContact O-N 2.92Å; L72-N74 VanDerWaalsContact C-N 3.32Å; L72-N74 PolarHBondContact O-N 3.27Å; N74-L76 VanDerWaalsContact C-N 3.27Å; N74-L76 PolarHBondContact O-N 3.39Å; N74-F77 PolarHBondContact O-N 3.45Å; N74-K81 HydrophobicContact CB-CB 4.37Å; N74-K81 HydrophobicContact CB-CD 4.24Å; N74-K81 HydrophobicContact CB-CG 4.23Å; N74-P82 WeakPolarHBondContact OD1-CD 3.38Å; N74-P82 WeakPolarHBondContact OD1-CG 3.3Å; N74-I83 PolarHBondContact ND2-O 3.32Å; N74-I83 PolarHBondContact OD1-N 3.06Å; N74-I86 WeakPolarHBondContact ND2-CD1 3.42Å |
| 75 | S | 88.9 | Confident | 87.5 | Confident | 37 Ų | 37 | 47 Ų | 47 | 26% | 0.259 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -70.1 | -24.8 | 177.8 | 75 | 0 | 0 | 0 | 0 | 113.2 | Q44 E71 L72 I73 F77 | Q44-S75 WeakPolarHBondContact CG-OG 3.44Å; Q44-S75 PolarHBondContact NE2-OG 3.46Å; E71-S75 WeakPolarHBondContact O-CB 3.19Å; E71-S75 PolarHBondContact O-N 3.24Å; L72-S75 PolarHBondContact O-N 3.24Å; L72-S75 PolarHBondContact O-OG 2.9Å; I73-S75 VanDerWaalsContact C-N 3.27Å; I73-S75 PolarHBondContact O-N 3.4Å; S75-F77 VanDerWaalsContact C-N 3.35Å |
| 76 | L | 87.9 | Confident | 87.5 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -80.3 | -17.8 | -180 | -64.8 | 174.6 | 0 | 0 | 0 | 112.7 | W40 Q44 L72 I73 N74 Y109 L138 A142 T149 | W40-L76 HydrophobicContact CZ2-CD1 4.43Å; W40-L76 HydrophobicContact CZ2-CD2 4.5Å; Q44-L76 HydrophobicContact CG-CD2 4.21Å; L72-L76 PolarHBondContact O-N 3.06Å; I73-L76 HydrophobicContact CD1-CD1 4.32Å; I73-L76 WeakPolarHBondContact O-CB 3.45Å; I73-L76 PolarHBondContact O-N 3.36Å; I73-L76 VanDerWaalsContact O-N 3.09Å; N74-L76 VanDerWaalsContact C-N 3.27Å; N74-L76 PolarHBondContact O-N 3.39Å; L76-Y109 HydrophobicContact CB-CE2 4.01Å; L76-L138 HydrophobicContact CD1-CD1 3.9Å; L76-L138 HydrophobicContact CD1-CD2 3.92Å; L76-L138 HydrophobicContact CD1-CG 3.77Å; L76-A142 HydrophobicContact CD1-CB 4.35Å; L76-A142 HydrophobicContact CD2-CB 3.68Å; L76-T149 PolarHBondContact O-OG1 2.94Å |
| 77 | F | 85.8 | Confident | 87.3 | Confident | 54 Ų | 54 | 53.2 Ų | 53.2 | 24% | 0.237 | 28% | 0.281 | C | S | . | . | trans | -92.8 | 116.3 | 176.1 | -77.8 | -94.9 | 0 | 0 | 0 | 110.2 | I73 N74 S75 G79 P82 Y109 | I73-F77 HydrophobicContact CD1-CD2 4.43Å; I73-F77 HydrophobicContact CD1-CE2 3.81Å; I73-F77 HydrophobicContact CG1-CD2 4.3Å; I73-F77 HydrophobicContact CG1-CE2 3.82Å; I73-F77 VanDerWaalsContact O-CD2 3.3Å; I73-F77 WeakPolarHBondContact O-CD2 3.42Å; N74-F77 PolarHBondContact O-N 3.45Å; S75-F77 VanDerWaalsContact C-N 3.35Å; F77-G79 PolarHBondContact O-N 3.36Å; F77-P82 HydrophobicContact CD2-CG 3.71Å; F77-P82 HydrophobicContact CE2-CG 3.8Å; F77-P82 HydrophobicContact CG-CG 4.28Å; F77-P82 HydrophobicContact CZ-CG 4.42Å; F77-Y109 HydrophobicContact CD2-CD2 4.23Å; F77-Y109 HydrophobicContact CE1-CD2 4.26Å; F77-Y109 AromaticContact CE2-CD2 3.61Å; F77-Y109 HydrophobicContact CE2-CD2 3.61Å; F77-Y109 HydrophobicContact CE2-CE2 4.47Å; F77-Y109 HydrophobicContact CE2-CG 4.31Å; F77-Y109 AromaticContact CZ-CD2 3.64Å; F77-Y109 HydrophobicContact CZ-CD2 3.64Å; F77-Y109 HydrophobicContact CZ-CG 4.33Å | ||
| 78 | P | 74.7 | Confident | 87 | Confident | 97 Ų | 97 | 56.4 Ų | 56.4 | 63% | 0.63 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -74.3 | -7.4 | -179.5 | 25.7 | -28.7 | 0 | 0 | 0 | 114.2 | T149 | P78-T149 HydrophobicContact CB-CG2 3.56Å; P78-T149 HydrophobicContact CG-CG2 3.87Å |
| 79 | G | 75.1 | Confident | 86.7 | Confident | 57 Ų | 57 | 56.4 Ų | 56.4 | 59% | 0.588 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -121 | -123 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | F77 K81 | F77-G79 PolarHBondContact O-N 3.36Å; G79-K81 PolarHBondContact O-N 3.42Å |
| 80 | D | 79.8 | Confident | 86.4 | Confident | 118 Ų | 118 | 62.4 Ų | 62.4 | 63% | 0.631 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -67.7 | 122.6 | 178.1 | -167.2 | 27.5 | 0 | 0 | 0 | 110.1 | K84 | D80-K84 WeakPolarHBondContact OD1-CE 3.41Å; D80-K84 IonicContact OD1-NZ 2.85Å; D80-K84 IonicContact OD2-NZ 2.7Å; D80-K84 PolarHBondContact OD2-NZ 2.97Å |
| 81 | K | 85.1 | Confident | 86.2 | Confident | 122 Ų | 122 | 68 Ų | 68 | 53% | 0.53 | 37% | 0.37 | S | S | . | . | trans | -69.8 | 122.5 | 179 | -70 | -178.9 | -179.1 | -177.8 | 0 | 108.6 | N74 G79 I83 | N74-K81 HydrophobicContact CB-CB 4.37Å; N74-K81 HydrophobicContact CB-CD 4.24Å; N74-K81 HydrophobicContact CB-CG 4.23Å; G79-K81 PolarHBondContact O-N 3.42Å; K81-I83 PolarHBondContact O-N 3.19Å | ||
| 82 | P | 86.4 | Confident | 86.1 | Confident | 51 Ų | 51 | 66.3 Ų | 66.3 | 33% | 0.331 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -61.4 | -30.2 | -178 | 24.2 | -35.1 | 0 | 0 | 0 | 112.4 | I73 N74 F77 A105 | I73-P82 HydrophobicContact CG1-CG 4.44Å; I73-P82 HydrophobicContact CG2-CG 4.47Å; N74-P82 WeakPolarHBondContact OD1-CD 3.38Å; N74-P82 WeakPolarHBondContact OD1-CG 3.3Å; F77-P82 HydrophobicContact CD2-CG 3.71Å; F77-P82 HydrophobicContact CE2-CG 3.8Å; F77-P82 HydrophobicContact CG-CG 4.28Å; F77-P82 HydrophobicContact CZ-CG 4.42Å; P82-A105 HydrophobicContact CB-CB 3.77Å; P82-A105 HydrophobicContact CG-CB 3.85Å |
| 83 | I | 88.6 | Confident | 86 | Confident | 4 Ų | 4 | 73.7 Ų | 73.7 | 2% | 0.021 | 40% | 0.4 | C | S | . | . | trans | -113.1 | 101.4 | -179.1 | -56.5 | 175.1 | 0 | 0 | 0 | 109.1 | I73 N74 K81 I86 Q101 F102 | I73-I83 HydrophobicContact CG2-CD1 3.69Å; I73-I83 HydrophobicContact CG2-CG1 4.43Å; N74-I83 PolarHBondContact ND2-O 3.32Å; N74-I83 PolarHBondContact OD1-N 3.06Å; K81-I83 PolarHBondContact O-N 3.19Å; I83-I86 HydrophobicContact CG2-CG1 4.02Å; I83-Q101 HydrophobicContact CD1-CB 4.05Å; I83-Q101 HydrophobicContact CG1-CB 4.23Å; I83-F102 HydrophobicContact CD1-CB 4.38Å | ||
| 84 | K | 85.1 | Confident | 85.9 | Confident | 164 Ų | 164 | 78 Ų | 78 | 71% | 0.713 | 42% | 0.419 | S | S | * | . | trans | -79.3 | -28.5 | -173.7 | -62.7 | -174.5 | 178.8 | -174 | 0 | 113.5 | D80 | D80-K84 WeakPolarHBondContact OD1-CE 3.41Å; D80-K84 IonicContact OD1-NZ 2.85Å; D80-K84 IonicContact OD2-NZ 2.7Å; D80-K84 PolarHBondContact OD2-NZ 2.97Å | ||
| 85 | K | 84.9 | Confident | 85.9 | Confident | 150 Ų | 150 | 79 Ų | 79 | 65% | 0.652 | 42% | 0.424 | S | S | * | . | trans | -124.2 | 101.9 | -174.2 | -170.4 | 175.4 | -179.5 | 178.3 | 0 | 110.4 | ||||
| 86 | I | 87.9 | Confident | 86 | Confident | 57 Ų | 57 | 79.8 Ų | 79.8 | 29% | 0.292 | 42% | 0.424 | S | S | . | . | trans | -101 | 116.7 | 173.9 | -60.4 | 168.1 | 0 | 0 | 0 | 106.5 | C67 E71 N74 I83 | C67-I86 HydrophobicContact CB-CG2 3.9Å; E71-I86 HydrophobicContact CG-CD1 3.71Å; E71-I86 HydrophobicContact CG-CG2 4.46Å; N74-I86 WeakPolarHBondContact ND2-CD1 3.42Å; I83-I86 HydrophobicContact CG2-CG1 4.02Å | ||
| 87 | Q | 85.3 | Confident | 86.3 | Confident | 106 Ų | 106 | 84.3 Ų | 84.3 | 50% | 0.495 | 45% | 0.445 | S | S | . | . | trans | -145.1 | 115.7 | 179.6 | -177.3 | -179.6 | 18.4 | 0 | 0 | 110.2 | S89 Q98 | Q87-S89 PolarHBondContact O-N 3.37Å; Q87-Q98 PolarHBondContact O-OE1 3.44Å | ||
| 88 | S | 85.5 | Confident | 86.6 | Confident | 79 Ų | 79 | 82.3 Ų | 82.3 | 55% | 0.552 | 44% | 0.436 | S | S | * | . | trans | -64.9 | 133 | 173 | -163.9 | 0 | 0 | 0 | 0 | 110.1 | D65 C67 | D65-S88 PolarHBondContact OD2-OG 2.91Å; C67-S88 VanDerWaalsContact SG-CA 3.54Å; C67-S88 PolarHBondContact SG-N 3.43Å; C67-S88 VanDerWaalsContact SG-N 3.44Å | ||
| 89 | S | 87.1 | Confident | 87.6 | Confident | 11 Ų | 11 | 77.7 Ų | 77.7 | 8% | 0.077 | 41% | 0.406 | C | S | . | . | trans | -141.7 | 137.9 | -177.4 | 161.9 | 0 | 0 | 0 | 0 | 109.9 | Q87 M91 K94 Q95 | Q87-S89 PolarHBondContact O-N 3.37Å; S89-M91 PolarHBondContact O-N 3.08Å; S89-M91 WeakPolarHBondContact OG-CB 3.26Å; S89-M91 PolarHBondContact OG-N 3.32Å; S89-M91 VanDerWaalsContact OG-N 3.11Å; S89-K94 VanDerWaalsContact OG-CD 3.29Å; S89-K94 WeakPolarHBondContact OG-CD 3.42Å; S89-Q95 VanDerWaalsContact O-CG 3.29Å; S89-Q95 WeakPolarHBondContact O-CG 3.23Å; S89-Q95 PolarHBondContact O-NE2 3.07Å | ||
| 90 | P | 87.1 | Confident | 88.5 | Confident | 125 Ų | 125 | 77.2 Ų | 77.2 | 81% | 0.812 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -73.8 | -12.9 | 174.9 | 31.2 | -35.4 | 0 | 0 | 0 | 112.9 | A92 | P90-A92 PolarHBondContact O-N 2.9Š|
| 91 | M | 88.8 | Confident | 89.2 | Confident | 117 Ų | 117 | 74.8 Ų | 74.8 | 58% | 0.576 | 38% | 0.379 | S | S | * | . | trans | -73.3 | 119.6 | 179.5 | -65.1 | -179.2 | 150.4 | 0 | 0 | 111.4 | S89 F93 K94 Q95 | S89-M91 PolarHBondContact O-N 3.08Å; S89-M91 WeakPolarHBondContact OG-CB 3.26Å; S89-M91 PolarHBondContact OG-N 3.32Å; S89-M91 VanDerWaalsContact OG-N 3.11Å; M91-F93 VanDerWaalsContact C-N 3.29Å; M91-F93 PolarHBondContact O-N 2.77Å; M91-K94 HydrophobicContact CB-CB 4.33Å; M91-K94 HydrophobicContact CB-CD 4.34Å; M91-K94 HydrophobicContact CB-CG 4.28Å; M91-K94 PolarHBondContact O-N 3.41Å; M91-K94 HydrophobicContact SD-CD 4.23Å; M91-Q95 PolarHBondContact O-N 3.38Å | ||
| 92 | A | 88.5 | Confident | 89.7 | Confident | 35 Ų | 35 | 69 Ų | 69 | 29% | 0.289 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -50.1 | -45.7 | 180 | 0 | 0 | 0 | 0 | 0 | 113.5 | P90 K94 Q95 M96 W123 | P90-A92 PolarHBondContact O-N 2.9Å; A92-K94 VanDerWaalsContact C-N 3.33Å; A92-K94 PolarHBondContact O-N 3.01Å; A92-Q95 PolarHBondContact O-N 3.2Å; A92-M96 WeakPolarHBondContact O-CG 3.31Å; A92-M96 PolarHBondContact O-N 2.87Å; A92-W123 HydrophobicContact CB-CH2 3.9Å; A92-W123 HydrophobicContact CB-CZ2 3.34Å |
| 93 | F | 89.8 | Confident | 90.1 | Very high | 155 Ų | 155 | 67.4 Ų | 67.4 | 68% | 0.68 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -58.9 | -42.3 | 179.3 | 179 | -96.2 | 0 | 0 | 0 | 112.7 | M91 M96 E97 | M91-F93 VanDerWaalsContact C-N 3.29Å; M91-F93 PolarHBondContact O-N 2.77Å; F93-M96 PolarHBondContact O-N 3.4Å; F93-E97 WeakPolarHBondContact O-CB 3.36Å; F93-E97 PolarHBondContact O-N 3.04Å |
| 94 | K | 90.4 | Very high | 90.3 | Very high | 91 Ų | 91 | 71 Ų | 71 | 40% | 0.396 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -67.9 | -39.2 | 179.1 | -73.3 | -175.3 | 171.2 | -177.6 | 0 | 112 | S89 M91 A92 E97 Q98 | S89-K94 VanDerWaalsContact OG-CD 3.29Å; S89-K94 WeakPolarHBondContact OG-CD 3.42Å; M91-K94 HydrophobicContact CB-CB 4.33Å; M91-K94 HydrophobicContact CB-CD 4.34Å; M91-K94 HydrophobicContact CB-CG 4.28Å; M91-K94 PolarHBondContact O-N 3.41Å; M91-K94 HydrophobicContact SD-CD 4.23Å; A92-K94 VanDerWaalsContact C-N 3.33Å; A92-K94 PolarHBondContact O-N 3.01Å; K94-E97 PolarHBondContact O-N 3.32Å; K94-Q98 WeakPolarHBondContact O-CB 3.25Å; K94-Q98 PolarHBondContact O-N 3.37Å |
| 95 | Q | 91.3 | Very high | 90.7 | Very high | 30 Ų | 30 | 63.4 Ų | 63.4 | 14% | 0.14 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.1 | -45.6 | 175.2 | -64 | 176.7 | -23.5 | 0 | 0 | 110.8 | S89 M91 A92 E97 Q98 I99 | S89-Q95 VanDerWaalsContact O-CG 3.29Å; S89-Q95 WeakPolarHBondContact O-CG 3.23Å; S89-Q95 PolarHBondContact O-NE2 3.07Å; M91-Q95 PolarHBondContact O-N 3.38Å; A92-Q95 PolarHBondContact O-N 3.2Å; Q95-E97 PolarHBondContact O-N 3.44Å; Q95-Q98 PolarHBondContact O-N 3.18Å; Q95-I99 WeakPolarHBondContact O-CG1 3.42Å; Q95-I99 PolarHBondContact O-N 2.88Å |
| 96 | M | 92.1 | Very high | 91.1 | Very high | 52 Ų | 52 | 56.3 Ų | 56.3 | 26% | 0.256 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.1 | -42.3 | 176.8 | -71.6 | -176.4 | -178.6 | 0 | 0 | 112.6 | A92 F93 Q98 I99 S100 T119 W123 | A92-M96 WeakPolarHBondContact O-CG 3.31Å; A92-M96 PolarHBondContact O-N 2.87Å; F93-M96 PolarHBondContact O-N 3.4Å; M96-Q98 VanDerWaalsContact C-N 3.33Å; M96-I99 PolarHBondContact O-N 3.35Å; M96-S100 WeakPolarHBondContact O-CB 3.34Å; M96-S100 PolarHBondContact O-N 3.04Å; M96-T119 HydrophobicContact CB-CG2 3.64Å; M96-T119 HydrophobicContact CG-CG2 3.73Å; M96-W123 HydrophobicContact CE-CD2 3.4Å; M96-W123 VanDerWaalsContact CE-CD2 3.4Å; M96-W123 HydrophobicContact CE-CE3 3.17Å; M96-W123 HydrophobicContact CE-CG 4.04Å; M96-W123 HydrophobicContact CE-CH2 3.99Å; M96-W123 HydrophobicContact CE-CZ2 4.2Å; M96-W123 HydrophobicContact CE-CZ3 3.48Å; M96-W123 VanDerWaalsContact CE-CZ3 3.48Å; M96-W123 HydrophobicContact CG-CD2 4.33Å; M96-W123 HydrophobicContact CG-CG 4.12Å |
| 97 | E | 93.1 | Very high | 91.3 | Very high | 96 Ų | 96 | 57 Ų | 57 | 45% | 0.449 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.6 | -42.2 | 175.2 | -175.2 | -179.4 | -171.6 | 0 | 0 | 111.2 | F93 K94 Q95 S100 Q101 | F93-E97 WeakPolarHBondContact O-CB 3.36Å; F93-E97 PolarHBondContact O-N 3.04Å; K94-E97 PolarHBondContact O-N 3.32Å; Q95-E97 PolarHBondContact O-N 3.44Å; E97-S100 WeakPolarHBondContact O-CB 3.4Å; E97-S100 PolarHBondContact O-N 3.33Å; E97-Q101 WeakPolarHBondContact O-CG 3.4Å; E97-Q101 PolarHBondContact O-N 2.9Å |
| 98 | Q | 92.8 | Very high | 91.6 | Very high | 11 Ų | 11 | 60.1 Ų | 60.1 | 5% | 0.051 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.6 | -40.5 | 179.6 | -168.3 | 164.4 | -14.2 | 0 | 0 | 112.6 | G66 C67 S70 Q87 K94 Q95 M96 S100 Q101 F102 | G66-Q98 PolarHBondContact O-NE2 2.89Å; C67-Q98 VanDerWaalsContact CA-NE2 3.28Å; C67-Q98 PolarHBondContact SG-NE2 3.36Å; S70-Q98 WeakPolarHBondContact OG-CG 3.43Å; Q87-Q98 PolarHBondContact O-OE1 3.44Å; K94-Q98 WeakPolarHBondContact O-CB 3.25Å; K94-Q98 PolarHBondContact O-N 3.37Å; Q95-Q98 PolarHBondContact O-N 3.18Å; M96-Q98 VanDerWaalsContact C-N 3.33Å; Q98-S100 VanDerWaalsContact C-N 3.29Å; Q98-S100 PolarHBondContact O-N 2.79Å; Q98-Q101 WeakPolarHBondContact O-CB 3.14Å; Q98-Q101 PolarHBondContact O-N 2.71Å; Q98-F102 PolarHBondContact O-N 3.4Å; Q98-F102 VanDerWaalsContact O-N 3.13Å |
| 99 | I | 94.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.3 | -41.7 | 170.5 | -66 | 164.5 | 0 | 0 | 0 | 110.6 | K64 Q95 M96 Q101 F102 L103 F117 T119 L122 W123 | K64-I99 WeakPolarHBondContact O-CD1 3.43Å; Q95-I99 WeakPolarHBondContact O-CG1 3.42Å; Q95-I99 PolarHBondContact O-N 2.88Å; M96-I99 PolarHBondContact O-N 3.35Å; I99-Q101 VanDerWaalsContact C-N 3.34Å; I99-Q101 PolarHBondContact O-N 2.77Å; I99-F102 WeakPolarHBondContact O-CB 3.41Å; I99-F102 PolarHBondContact O-N 3.24Å; I99-L103 HydrophobicContact CG2-CD1 4.36Å; I99-L103 WeakPolarHBondContact O-CG 3.43Å; I99-L103 PolarHBondContact O-N 3.07Å; I99-F117 HydrophobicContact CG2-CE2 3.62Å; I99-F117 HydrophobicContact CG2-CZ 3.94Å; I99-T119 HydrophobicContact CB-CG2 4.06Å; I99-T119 HydrophobicContact CD1-CG2 4.19Å; I99-T119 HydrophobicContact CG2-CG2 4.07Å; I99-L122 HydrophobicContact CD1-CD2 3.96Å; I99-L122 HydrophobicContact CD1-CG 4.29Å; I99-L122 HydrophobicContact CG1-CD2 4.16Å; I99-L122 HydrophobicContact CG2-CD2 4.41Å; I99-W123 HydrophobicContact CD1-CB 4.23Å |
| 100 | S | 93.9 | Very high | 91.8 | Very high | 47 Ų | 47 | 58 Ų | 58 | 33% | 0.329 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.5 | -39.3 | 176.8 | -176 | 0 | 0 | 0 | 0 | 112.2 | M96 E97 Q98 F102 L103 N104 | M96-S100 WeakPolarHBondContact O-CB 3.34Å; M96-S100 PolarHBondContact O-N 3.04Å; E97-S100 WeakPolarHBondContact O-CB 3.4Å; E97-S100 PolarHBondContact O-N 3.33Å; Q98-S100 VanDerWaalsContact C-N 3.29Å; Q98-S100 PolarHBondContact O-N 2.79Å; S100-F102 VanDerWaalsContact C-N 3.33Å; S100-F102 PolarHBondContact O-N 3.44Å; S100-L103 PolarHBondContact O-N 3.38Å; S100-N104 PolarHBondContact O-N 3.2Å; S100-N104 PolarHBondContact O-ND2 3.03Å |
| 101 | Q | 94.4 | Very high | 92 | Very high | 68 Ų | 68 | 52.2 Ų | 52.2 | 32% | 0.318 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.8 | -41.9 | 174.1 | -71.4 | 175.4 | 56.8 | 0 | 0 | 111.9 | I83 E97 Q98 I99 N104 A105 | I83-Q101 HydrophobicContact CD1-CB 4.05Å; I83-Q101 HydrophobicContact CG1-CB 4.23Å; E97-Q101 WeakPolarHBondContact O-CG 3.4Å; E97-Q101 PolarHBondContact O-N 2.9Å; Q98-Q101 WeakPolarHBondContact O-CB 3.14Å; Q98-Q101 PolarHBondContact O-N 2.71Å; I99-Q101 VanDerWaalsContact C-N 3.34Å; I99-Q101 PolarHBondContact O-N 2.77Å; Q101-N104 PolarHBondContact O-N 3.4Å; Q101-A105 WeakPolarHBondContact O-CB 3.4Å; Q101-A105 PolarHBondContact O-N 3.28Å |
| 102 | F | 95.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.7 | -48.6 | 172.1 | 164.1 | -97.1 | 0 | 0 | 0 | 112.1 | L69 I73 I83 Q98 I99 S100 N104 A105 A106 F117 L135 L138 | L69-F102 HydrophobicContact CB-CB 4.07Å; L69-F102 HydrophobicContact CB-CD1 4.22Å; L69-F102 HydrophobicContact CB-CD2 3.78Å; L69-F102 HydrophobicContact CB-CE2 4.27Å; L69-F102 HydrophobicContact CB-CG 3.74Å; L69-F102 HydrophobicContact CD1-CD1 4.07Å; L69-F102 HydrophobicContact CD1-CE1 4.44Å; L69-F102 HydrophobicContact CD1-CG 4.38Å; L69-F102 HydrophobicContact CD2-CE1 4.33Å; L69-F102 HydrophobicContact CD2-CE2 4.38Å; L69-F102 HydrophobicContact CD2-CZ 4.21Å; L69-F102 WeakPolarHBondContact O-CD2 3.37Å; I73-F102 HydrophobicContact CB-CD2 3.84Å; I73-F102 HydrophobicContact CB-CE2 4.02Å; I73-F102 HydrophobicContact CG2-CD2 3.89Å; I83-F102 HydrophobicContact CD1-CB 4.38Å; Q98-F102 PolarHBondContact O-N 3.4Å; Q98-F102 VanDerWaalsContact O-N 3.13Å; I99-F102 WeakPolarHBondContact O-CB 3.41Å; I99-F102 PolarHBondContact O-N 3.24Å; S100-F102 VanDerWaalsContact C-N 3.33Å; S100-F102 PolarHBondContact O-N 3.44Å; F102-N104 VanDerWaalsContact C-N 3.32Å; F102-N104 PolarHBondContact O-N 3.05Å; F102-A105 PolarHBondContact O-N 3.35Å; F102-A105 VanDerWaalsContact O-N 3.1Å; F102-A106 HydrophobicContact CE1-CB 4.47Å; F102-A106 HydrophobicContact CZ-CB 4.28Å; F102-A106 WeakPolarHBondContact O-CB 3.35Å; F102-A106 PolarHBondContact O-N 2.69Å; F102-F117 HydrophobicContact CD1-CE1 4.27Å; F102-F117 HydrophobicContact CD1-CZ 4.16Å; F102-F117 AromaticContact CE1-CE1 3.75Å; F102-F117 HydrophobicContact CE1-CE1 3.75Å; F102-F117 HydrophobicContact CE1-CZ 4.1Å; F102-L135 HydrophobicContact CZ-CD2 4.05Å; F102-L138 HydrophobicContact CE2-CD2 3.97Å; F102-L138 HydrophobicContact CZ-CD2 4.08Å |
| 103 | L | 94.8 | Very high | 92.2 | Very high | 18 Ų | 18 | 55 Ų | 55 | 9% | 0.094 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.7 | -43.3 | -179.6 | -67.5 | 172.6 | 0 | 0 | 0 | 111.7 | I99 S100 A105 A106 E107 F117 | I99-L103 HydrophobicContact CG2-CD1 4.36Å; I99-L103 WeakPolarHBondContact O-CG 3.43Å; I99-L103 PolarHBondContact O-N 3.07Å; S100-L103 PolarHBondContact O-N 3.38Å; L103-A105 VanDerWaalsContact C-N 3.32Å; L103-A105 PolarHBondContact O-N 3.1Å; L103-A106 PolarHBondContact O-N 3.21Å; L103-E107 PolarHBondContact O-N 3.04Å; L103-F117 HydrophobicContact CD1-CE2 4.37Å; L103-F117 WeakPolarHBondContact CD1-O 3.45Å; L103-F117 HydrophobicContact CD2-CD1 3.94Å; L103-F117 HydrophobicContact CD2-CD2 4.29Å; L103-F117 HydrophobicContact CD2-CE1 3.73Å; L103-F117 HydrophobicContact CD2-CE2 4.08Å; L103-F117 HydrophobicContact CD2-CG 4.2Å; L103-F117 HydrophobicContact CD2-CZ 3.79Å; L103-F117 WeakPolarHBondContact CD2-O 3.33Å; L103-F117 HydrophobicContact CG-CE2 4.48Å; L103-F117 HydrophobicContact CG-CZ 4.37Å |
| 104 | N | 93.8 | Very high | 92.2 | Very high | 80 Ų | 80 | 52.7 Ų | 52.7 | 43% | 0.428 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.3 | -38.8 | 175.5 | -72.9 | -57.2 | 0 | 0 | 0 | 112.4 | S100 Q101 F102 K108 | S100-N104 PolarHBondContact O-N 3.2Å; S100-N104 PolarHBondContact O-ND2 3.03Å; Q101-N104 PolarHBondContact O-N 3.4Å; F102-N104 VanDerWaalsContact C-N 3.32Å; F102-N104 PolarHBondContact O-N 3.05Å; N104-K108 WeakPolarHBondContact O-CG 3.47Å; N104-K108 PolarHBondContact O-N 2.81Å |
| 105 | A | 93.3 | Very high | 92.2 | Very high | 4 Ų | 4 | 50.3 Ų | 50.3 | 3% | 0.033 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -71.4 | -37.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | I73 P82 Q101 F102 L103 K108 Y109 | I73-A105 HydrophobicContact CG1-CB 3.68Å; I73-A105 HydrophobicContact CG2-CB 4.11Å; P82-A105 HydrophobicContact CB-CB 3.77Å; P82-A105 HydrophobicContact CG-CB 3.85Å; Q101-A105 WeakPolarHBondContact O-CB 3.4Å; Q101-A105 PolarHBondContact O-N 3.28Å; F102-A105 PolarHBondContact O-N 3.35Å; F102-A105 VanDerWaalsContact O-N 3.1Å; L103-A105 VanDerWaalsContact C-N 3.32Å; L103-A105 PolarHBondContact O-N 3.1Å; A105-K108 PolarHBondContact O-N 3.45Å; A105-Y109 WeakPolarHBondContact O-CB 3.26Å; A105-Y109 PolarHBondContact O-N 2.92Å |
| 106 | A | 93.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.7 | -40.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | F102 L103 Y109 G110 V111 | F102-A106 HydrophobicContact CE1-CB 4.47Å; F102-A106 HydrophobicContact CZ-CB 4.28Å; F102-A106 WeakPolarHBondContact O-CB 3.35Å; F102-A106 PolarHBondContact O-N 2.69Å; L103-A106 PolarHBondContact O-N 3.21Å; A106-Y109 WeakPolarHBondContact O-CB 3.49Å; A106-Y109 PolarHBondContact O-N 3.13Å; A106-G110 PolarHBondContact O-N 3.36Å; A106-V111 HydrophobicContact CB-CB 4.44Å; A106-V111 HydrophobicContact CB-CG2 4.12Å; A106-V111 WeakPolarHBondContact O-CB 3.5Å; A106-V111 WeakPolarHBondContact O-CG2 3.46Å; A106-V111 PolarHBondContact O-N 3.45Å |
| 107 | E | 92.6 | Very high | 92.4 | Very high | 72 Ų | 72 | 48.8 Ų | 48.8 | 34% | 0.336 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.3 | -48.5 | 172.6 | -173.1 | 179.6 | 167.1 | 0 | 0 | 110.7 | L103 Y109 G110 K113 M116 | L103-E107 PolarHBondContact O-N 3.04Å; E107-Y109 PolarHBondContact O-N 3.3Å; E107-G110 WeakPolarHBondContact O-CA 3.35Å; E107-G110 PolarHBondContact O-N 3.43Å; E107-K113 WeakPolarHBondContact OE1-CE 3.47Å; E107-K113 IonicContact OE1-NZ 3.67Å; E107-K113 PolarHBondContact OE1-NZ 3.32Å; E107-M116 HydrophobicContact CB-CE 4.48Å; E107-M116 HydrophobicContact CB-SD 3.84Å; E107-M116 HydrophobicContact CG-SD 4.39Å |
| 108 | K | 90.8 | Very high | 92.4 | Very high | 172 Ų | 172 | 50.5 Ų | 50.5 | 75% | 0.748 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -62.4 | -31.5 | 176.3 | -71.9 | 176.5 | -175.8 | -179 | 0 | 112.9 | N104 A105 G110 | N104-K108 WeakPolarHBondContact O-CG 3.47Å; N104-K108 PolarHBondContact O-N 2.81Å; A105-K108 PolarHBondContact O-N 3.45Å; K108-G110 PolarHBondContact O-N 3.21Å |
| 109 | Y | 88.9 | Confident | 92.4 | Very high | 4 Ų | 4 | 51.3 Ų | 51.3 | 2% | 0.016 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.7 | -22.9 | 174.8 | -166.2 | -101.4 | 0 | 0 | 0 | 112.3 | I73 L76 F77 A105 A106 E107 L138 L141 A142 K145 | I73-Y109 HydrophobicContact CD1-CG 4.3Å; L76-Y109 HydrophobicContact CB-CE2 4.01Å; F77-Y109 HydrophobicContact CD2-CD2 4.23Å; F77-Y109 HydrophobicContact CE1-CD2 4.26Å; F77-Y109 AromaticContact CE2-CD2 3.61Å; F77-Y109 HydrophobicContact CE2-CD2 3.61Å; F77-Y109 HydrophobicContact CE2-CE2 4.47Å; F77-Y109 HydrophobicContact CE2-CG 4.31Å; F77-Y109 AromaticContact CZ-CD2 3.64Å; F77-Y109 HydrophobicContact CZ-CD2 3.64Å; F77-Y109 HydrophobicContact CZ-CG 4.33Å; A105-Y109 WeakPolarHBondContact O-CB 3.26Å; A105-Y109 PolarHBondContact O-N 2.92Å; A106-Y109 WeakPolarHBondContact O-CB 3.49Å; A106-Y109 PolarHBondContact O-N 3.13Å; E107-Y109 PolarHBondContact O-N 3.3Å; Y109-L138 HydrophobicContact CD1-CD1 3.43Å; Y109-L138 VanDerWaalsContact CD1-CD1 3.43Å; Y109-L138 HydrophobicContact CE1-CD1 3.94Å; Y109-L138 HydrophobicContact CG-CD1 4.07Å; Y109-L141 HydrophobicContact CD1-CB 4.25Å; Y109-L141 HydrophobicContact CE1-CB 3.95Å; Y109-A142 HydrophobicContact CE1-CB 4.33Å; Y109-A142 WeakPolarHBondContact OH-CA 3.5Å; Y109-K145 HydrophobicContact CE1-CD 4.43Å; Y109-K145 HydrophobicContact CE2-CD 4.43Å; Y109-K145 WeakPolarHBondContact O-CE 3.24Å; Y109-K145 PolarHBondContact O-NZ 3.48Å |
| 110 | G | 88.9 | Confident | 92.2 | Very high | 41 Ų | 41 | 53.4 Ų | 53.4 | 42% | 0.423 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 118.9 | 11 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | A106 E107 K108 T112 L141 | A106-G110 PolarHBondContact O-N 3.36Å; E107-G110 WeakPolarHBondContact O-CA 3.35Å; E107-G110 PolarHBondContact O-N 3.43Å; K108-G110 PolarHBondContact O-N 3.21Å; G110-T112 PolarHBondContact O-N 3.4Å; G110-L141 VanDerWaalsContact C-CD1 3.42Å; G110-L141 WeakPolarHBondContact O-CD1 3.24Å |
| 111 | V | 91.4 | Very high | 92.1 | Very high | 4 Ų | 4 | 52.2 Ų | 52.2 | 2% | 0.024 | 27% | 0.273 | C | S | . | . | trans | -66.7 | 127.6 | 173.5 | -179.3 | 0 | 0 | 0 | 0 | 109.2 | A106 D115 M116 T134 A137 L138 L141 | A106-V111 HydrophobicContact CB-CB 4.44Å; A106-V111 HydrophobicContact CB-CG2 4.12Å; A106-V111 WeakPolarHBondContact O-CB 3.5Å; A106-V111 WeakPolarHBondContact O-CG2 3.46Å; A106-V111 PolarHBondContact O-N 3.45Å; V111-D115 HydrophobicContact CG1-CB 4.38Å; V111-M116 HydrophobicContact CG1-CG 3.94Å; V111-T134 HydrophobicContact CG1-CG2 4.25Å; V111-A137 HydrophobicContact CG1-CB 4.33Å; V111-L138 HydrophobicContact CG2-CB 4.05Å; V111-L138 HydrophobicContact CG2-CD1 3.88Å; V111-L141 HydrophobicContact CB-CD1 4.35Å; V111-L141 HydrophobicContact CG2-CD1 3.78Å | ||
| 112 | T | 90.4 | Very high | 92.1 | Very high | 69 Ų | 69 | 49 Ų | 49 | 42% | 0.423 | 26% | 0.258 | S | S | . | . | trans | -67.1 | 139.1 | 178.8 | -47.9 | 0 | 0 | 0 | 0 | 110.6 | G110 T114 D115 M116 | G110-T112 PolarHBondContact O-N 3.4Å; T112-T114 HydrophobicContact CG2-CG2 4.34Å; T112-T114 VanDerWaalsContact CG2-OG1 3.27Å; T112-T114 WeakPolarHBondContact CG2-OG1 3.44Å; T112-T114 PolarHBondContact O-N 2.48Å; T112-T114 VanDerWaalsContact O-N 3.08Å; T112-D115 PolarHBondContact O-N 2.96Å; T112-M116 PolarHBondContact O-N 2.97Å | ||
| 113 | K | 90.1 | Very high | 91.9 | Very high | 141 Ų | 141 | 49.8 Ų | 49.8 | 61% | 0.613 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -54.9 | -30.4 | 179.1 | -64 | -172.9 | 173.8 | -177 | 0 | 114.4 | E107 D115 M116 | E107-K113 WeakPolarHBondContact OE1-CE 3.47Å; E107-K113 IonicContact OE1-NZ 3.67Å; E107-K113 PolarHBondContact OE1-NZ 3.32Å; K113-D115 PolarHBondContact O-N 2.98Å; K113-M116 HydrophobicContact CB-CE 4.26Å; K113-M116 HydrophobicContact CG-CE 3.96Å; K113-M116 PolarHBondContact O-N 3.07Å |
| 114 | T | 90.3 | Very high | 91.7 | Very high | 107 Ų | 107 | 51.6 Ų | 51.6 | 66% | 0.656 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -65.2 | -27.2 | 177.1 | 54.6 | 0 | 0 | 0 | 0 | 113.1 | T112 | T112-T114 HydrophobicContact CG2-CG2 4.34Å; T112-T114 VanDerWaalsContact CG2-OG1 3.27Å; T112-T114 WeakPolarHBondContact CG2-OG1 3.44Å; T112-T114 PolarHBondContact O-N 2.48Å; T112-T114 VanDerWaalsContact O-N 3.08Å |
| 115 | D | 90.1 | Very high | 91.4 | Very high | 41 Ų | 41 | 48.5 Ų | 48.5 | 22% | 0.219 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -97.2 | -4.7 | -179.3 | -63.3 | -31.4 | 0 | 0 | 0 | 111.9 | V111 T112 K113 T134 A137 | V111-D115 HydrophobicContact CG1-CB 4.38Å; T112-D115 PolarHBondContact O-N 2.96Å; K113-D115 PolarHBondContact O-N 2.98Å; D115-T134 VanDerWaalsContact O-CA 3.25Å; D115-T134 WeakPolarHBondContact O-CA 3.18Å; D115-T134 VanDerWaalsContact O-CB 3.3Å; D115-T134 WeakPolarHBondContact O-CB 3.35Å; D115-T134 PolarHBondContact O-N 3.01Å; D115-T134 PolarHBondContact O-OG1 2.93Å; D115-A137 HydrophobicContact CB-CB 4.12Å |
| 116 | M | 92.9 | Very high | 91.1 | Very high | 45 Ų | 45 | 51.5 Ų | 51.5 | 22% | 0.222 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -81.7 | 132.6 | 179.1 | -63.4 | -163.9 | -44.5 | 0 | 0 | 111.6 | E107 V111 T112 K113 T134 | E107-M116 HydrophobicContact CB-CE 4.48Å; E107-M116 HydrophobicContact CB-SD 3.84Å; E107-M116 HydrophobicContact CG-SD 4.39Å; V111-M116 HydrophobicContact CG1-CG 3.94Å; T112-M116 PolarHBondContact O-N 2.97Å; K113-M116 HydrophobicContact CB-CE 4.26Å; K113-M116 HydrophobicContact CG-CE 3.96Å; K113-M116 PolarHBondContact O-N 3.07Å; M116-T134 WeakPolarHBondContact CA-OG1 3.46Å |
| 117 | F | 95.1 | Very high | 91 | Very high | 5 Ų | 5 | 53 Ų | 53 | 2% | 0.022 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -78.7 | 163.5 | 169.2 | 73.6 | -95.7 | 0 | 0 | 0 | 111.5 | L69 I99 F102 L103 D121 L122 A130 V131 T134 | L69-F117 HydrophobicContact CD1-CZ 4.09Å; I99-F117 HydrophobicContact CG2-CE2 3.62Å; I99-F117 HydrophobicContact CG2-CZ 3.94Å; F102-F117 HydrophobicContact CD1-CE1 4.27Å; F102-F117 HydrophobicContact CD1-CZ 4.16Å; F102-F117 AromaticContact CE1-CE1 3.75Å; F102-F117 HydrophobicContact CE1-CE1 3.75Å; F102-F117 HydrophobicContact CE1-CZ 4.1Å; L103-F117 HydrophobicContact CD1-CE2 4.37Å; L103-F117 WeakPolarHBondContact CD1-O 3.45Å; L103-F117 HydrophobicContact CD2-CD1 3.94Å; L103-F117 HydrophobicContact CD2-CD2 4.29Å; L103-F117 HydrophobicContact CD2-CE1 3.73Å; L103-F117 HydrophobicContact CD2-CE2 4.08Å; L103-F117 HydrophobicContact CD2-CG 4.2Å; L103-F117 HydrophobicContact CD2-CZ 3.79Å; L103-F117 WeakPolarHBondContact CD2-O 3.33Å; L103-F117 HydrophobicContact CG-CE2 4.48Å; L103-F117 HydrophobicContact CG-CZ 4.37Å; F117-D121 HydrophobicContact CB-CB 4.35Å; F117-L122 HydrophobicContact CD2-CB 4.17Å; F117-L122 HydrophobicContact CE2-CB 3.74Å; F117-L122 HydrophobicContact CE2-CD2 4.02Å; F117-L122 HydrophobicContact CZ-CB 4.46Å; F117-L122 HydrophobicContact CZ-CD2 3.99Å; F117-A130 HydrophobicContact CB-CB 3.9Å; F117-V131 HydrophobicContact CB-CG2 4.13Å; F117-V131 HydrophobicContact CD1-CB 4.24Å; F117-V131 HydrophobicContact CD1-CG1 4.28Å; F117-V131 HydrophobicContact CD1-CG2 4.02Å; F117-V131 HydrophobicContact CD2-CG2 3.92Å; F117-V131 HydrophobicContact CE1-CG1 4.14Å; F117-V131 HydrophobicContact CE1-CG2 4.42Å; F117-V131 HydrophobicContact CE2-CG2 4.35Å; F117-V131 HydrophobicContact CG-CB 4.45Å; F117-V131 HydrophobicContact CG-CG2 3.79Å; F117-T134 HydrophobicContact CD1-CG2 3.94Å; F117-T134 VanDerWaalsContact CD1-OG1 3.31Å; F117-T134 WeakPolarHBondContact CD1-OG1 3.16Å; F117-T134 HydrophobicContact CE1-CG2 4.27Å; F117-T134 PolarHBondContact N-OG1 3.47Å |
| 118 | Q | 93.4 | Very high | 91 | Very high | 132 Ų | 132 | 49.6 Ų | 49.6 | 62% | 0.617 | 26% | 0.261 | S | S | * | . | P | Polyproline II helix | trans | -98 | 150 | 171.8 | -53 | -168.2 | -65.9 | 0 | 0 | 110.9 | V120 D121 | Q118-V120 HydrophobicContact CB-CG2 4.13Å; Q118-V120 PolarHBondContact O-N 3.25Å; Q118-D121 WeakPolarHBondContact CB-OD2 3.44Å; Q118-D121 PolarHBondContact N-OD2 3.02Å; Q118-D121 WeakPolarHBondContact O-CA 3.5Å; Q118-D121 VanDerWaalsContact O-CB 3.24Å; Q118-D121 WeakPolarHBondContact O-CB 3.3Å; Q118-D121 PolarHBondContact O-N 3.02Å |
| 119 | T | 92.8 | Very high | 91 | Very high | 28 Ų | 28 | 41.6 Ų | 41.6 | 17% | 0.172 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -48.8 | -36.1 | -178.9 | -56.2 | 0 | 0 | 0 | 0 | 114.4 | M96 I99 D121 W123 | M96-T119 HydrophobicContact CB-CG2 3.64Å; M96-T119 HydrophobicContact CG-CG2 3.73Å; I99-T119 HydrophobicContact CB-CG2 4.06Å; I99-T119 HydrophobicContact CD1-CG2 4.19Å; I99-T119 HydrophobicContact CG2-CG2 4.07Å; T119-D121 VanDerWaalsContact C-N 3.31Å; T119-D121 PolarHBondContact O-N 3.37Å; T119-W123 VanDerWaalsContact O-CB 3.24Å; T119-W123 WeakPolarHBondContact O-CB 3.27Å; T119-W123 PolarHBondContact O-N 3.28Å |
| 120 | V | 90.4 | Very high | 91.2 | Very high | 44 Ų | 44 | 41.8 Ų | 41.8 | 27% | 0.267 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -68.9 | -26.5 | 178.4 | -63.2 | 0 | 0 | 0 | 0 | 113.6 | Q118 L122 E124 K126 | Q118-V120 HydrophobicContact CB-CG2 4.13Å; Q118-V120 PolarHBondContact O-N 3.25Å; V120-L122 VanDerWaalsContact C-N 3.32Å; V120-E124 WeakPolarHBondContact O-CB 3.39Å; V120-E124 PolarHBondContact O-N 3.01Å; V120-K126 HydrophobicContact CB-CD 4.49Å; V120-K126 HydrophobicContact CG2-CD 4.27Å |
| 121 | D | 92.4 | Very high | 91.5 | Very high | 21 Ų | 21 | 39.8 Ų | 39.8 | 11% | 0.112 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.5 | -37.7 | -179.3 | -59.9 | -28.3 | 0 | 0 | 0 | 111 | F117 Q118 T119 G125 K126 D127 | F117-D121 HydrophobicContact CB-CB 4.35Å; Q118-D121 WeakPolarHBondContact CB-OD2 3.44Å; Q118-D121 PolarHBondContact N-OD2 3.02Å; Q118-D121 WeakPolarHBondContact O-CA 3.5Å; Q118-D121 VanDerWaalsContact O-CB 3.24Å; Q118-D121 WeakPolarHBondContact O-CB 3.3Å; Q118-D121 PolarHBondContact O-N 3.02Å; T119-D121 VanDerWaalsContact C-N 3.31Å; T119-D121 PolarHBondContact O-N 3.37Å; D121-G125 CarbonylContact O-C 3.25Å; D121-G125 VanDerWaalsContact O-C 3.25Å; D121-G125 WeakPolarHBondContact O-CA 3.31Å; D121-G125 PolarHBondContact O-N 3.18Å; D121-K126 PolarHBondContact O-N 3.46Å; D121-D127 HydrophobicContact CB-CB 4.08Å; D121-D127 PolarHBondContact O-N 3.26Å |
| 122 | L | 92.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -85.2 | -49.6 | 173.8 | 177.5 | 57 | 0 | 0 | 0 | 112.3 | Q60 L63 L69 I99 F117 V120 G125 L128 V131 | Q60-L122 HydrophobicContact CG-CD1 4.37Å; Q60-L122 WeakPolarHBondContact CG-O 3.44Å; Q60-L122 PolarHBondContact NE2-O 2.75Å; L63-L122 HydrophobicContact CB-CD1 3.85Å; L63-L122 HydrophobicContact CB-CD2 4.06Å; L69-L122 HydrophobicContact CD1-CD2 3.47Å; L69-L122 VanDerWaalsContact CD1-CD2 3.47Å; I99-L122 HydrophobicContact CD1-CD2 3.96Å; I99-L122 HydrophobicContact CD1-CG 4.29Å; I99-L122 HydrophobicContact CG1-CD2 4.16Å; I99-L122 HydrophobicContact CG2-CD2 4.41Å; F117-L122 HydrophobicContact CD2-CB 4.17Å; F117-L122 HydrophobicContact CE2-CB 3.74Å; F117-L122 HydrophobicContact CE2-CD2 4.02Å; F117-L122 HydrophobicContact CZ-CB 4.46Å; F117-L122 HydrophobicContact CZ-CD2 3.99Å; V120-L122 VanDerWaalsContact C-N 3.32Å; L122-G125 PolarHBondContact O-N 3.25Å; L122-L128 HydrophobicContact CD1-CD2 3.98Å; L122-V131 HydrophobicContact CB-CG2 3.87Å; L122-V131 HydrophobicContact CD1-CG1 4.42Å; L122-V131 HydrophobicContact CD1-CG2 4.3Å |
| 123 | W | 92.4 | Very high | 91.7 | Very high | 18 Ų | 18 | 41.3 Ų | 41.3 | 7% | 0.068 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -71.1 | -41.2 | -170.2 | -168.6 | 88.3 | 0 | 0 | 0 | 113.1 | Q60 K64 A92 M96 I99 T119 | Q60-W123 PolarHBondContact NE2-O 2.93Å; K64-W123 WeakPolarHBondContact CE-O 3.3Å; K64-W123 HydrophobicContact CG-CG 4.36Å; K64-W123 PolarHBondContact NZ-O 3.44Å; K64-W123 VanDerWaalsContact NZ-O 3.1Å; A92-W123 HydrophobicContact CB-CH2 3.9Å; A92-W123 HydrophobicContact CB-CZ2 3.34Å; M96-W123 HydrophobicContact CE-CD2 3.4Å; M96-W123 VanDerWaalsContact CE-CD2 3.4Å; M96-W123 HydrophobicContact CE-CE3 3.17Å; M96-W123 HydrophobicContact CE-CG 4.04Å; M96-W123 HydrophobicContact CE-CH2 3.99Å; M96-W123 HydrophobicContact CE-CZ2 4.2Å; M96-W123 HydrophobicContact CE-CZ3 3.48Å; M96-W123 VanDerWaalsContact CE-CZ3 3.48Å; M96-W123 HydrophobicContact CG-CD2 4.33Å; M96-W123 HydrophobicContact CG-CG 4.12Å; I99-W123 HydrophobicContact CD1-CB 4.23Å; T119-W123 VanDerWaalsContact O-CB 3.24Å; T119-W123 WeakPolarHBondContact O-CB 3.27Å; T119-W123 PolarHBondContact O-N 3.28Å |
| 124 | E | 89.3 | Confident | 91.9 | Very high | 55 Ų | 55 | 34.6 Ų | 34.6 | 26% | 0.257 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -89.5 | -13.9 | 170.9 | -60.6 | -166.7 | 160.3 | 0 | 0 | 112.6 | K11 V120 K126 | K11-E124 IonicContact NZ-OE2 3.02Å; K11-E124 PolarHBondContact NZ-OE2 3.31Å; V120-E124 WeakPolarHBondContact O-CB 3.39Å; V120-E124 PolarHBondContact O-N 3.01Å; E124-K126 HydrophobicContact CB-CG 4.15Å; E124-K126 WeakPolarHBondContact OE2-CE 3.41Å; E124-K126 IonicContact OE2-NZ 3.39Å; E124-K126 PolarHBondContact OE2-NZ 3.17Å |
| 125 | G | 87.9 | Confident | 92.1 | Very high | 16 Ų | 16 | 29.5 Ų | 29.5 | 17% | 0.165 | 15% | 0.146 | C | C | . | . | trans | 76.8 | 26.8 | 180 | 0 | 0 | 0 | 0 | 0 | 113.8 | D121 L122 | D121-G125 CarbonylContact O-C 3.25Å; D121-G125 VanDerWaalsContact O-C 3.25Å; D121-G125 WeakPolarHBondContact O-CA 3.31Å; D121-G125 PolarHBondContact O-N 3.18Å; L122-G125 PolarHBondContact O-N 3.25Å | ||
| 126 | K | 87.2 | Confident | 92.2 | Very high | 67 Ų | 67 | 28.5 Ų | 28.5 | 29% | 0.291 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -68 | -37.5 | -178.1 | -58.5 | -175 | -162.3 | -174.4 | 0 | 113.2 | Q22 V120 D121 E124 | Q22-K126 PolarHBondContact NE2-O 3.48Å; V120-K126 HydrophobicContact CB-CD 4.49Å; V120-K126 HydrophobicContact CG2-CD 4.27Å; D121-K126 PolarHBondContact O-N 3.46Å; E124-K126 HydrophobicContact CB-CG 4.15Å; E124-K126 WeakPolarHBondContact OE2-CE 3.41Å; E124-K126 IonicContact OE2-NZ 3.39Å; E124-K126 PolarHBondContact OE2-NZ 3.17Å |
| 127 | D | 91.1 | Very high | 92.2 | Very high | 30 Ų | 30 | 26.8 Ų | 26.8 | 16% | 0.16 | 14% | 0.135 | C | C | . | . | trans | -148.1 | 80 | -176.2 | -169.6 | -11.3 | 0 | 0 | 0 | 110.1 | I25 D121 A129 A130 | I25-D127 HydrophobicContact CG2-CB 3.85Å; I25-D127 VanDerWaalsContact CG2-OD1 3.28Å; I25-D127 WeakPolarHBondContact CG2-OD1 3.45Å; D121-D127 HydrophobicContact CB-CB 4.08Å; D121-D127 PolarHBondContact O-N 3.26Å; D127-A129 PolarHBondContact O-N 3.04Å; D127-A129 WeakPolarHBondContact OD1-CB 3.48Å; D127-A129 PolarHBondContact OD1-N 2.93Å; D127-A129 VanDerWaalsContact OD1-N 3.17Å; D127-A130 HydrophobicContact CB-CB 4.14Å; D127-A130 WeakPolarHBondContact O-CB 3.36Å; D127-A130 PolarHBondContact O-N 3Å; D127-A130 PolarHBondContact OD1-N 2.54Å | ||
| 128 | L | 91.6 | Very high | 92 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -73.6 | -18.1 | 176.2 | -63.6 | 171.1 | 0 | 0 | 0 | 112.3 | Y29 K56 Q60 L122 A130 V131 Q132 | Y29-L128 HydrophobicContact CD2-CB 3.95Å; Y29-L128 HydrophobicContact CE2-CB 3.78Å; K56-L128 HydrophobicContact CD-CD1 4Å; K56-L128 HydrophobicContact CG-CB 4.36Å; K56-L128 HydrophobicContact CG-CD1 3.28Å; K56-L128 HydrophobicContact CG-CG 4.41Å; Q60-L128 HydrophobicContact CB-CD1 3.82Å; Q60-L128 HydrophobicContact CB-CD2 4.08Å; Q60-L128 HydrophobicContact CG-CD1 4.25Å; Q60-L128 HydrophobicContact CG-CD2 4.01Å; L122-L128 HydrophobicContact CD1-CD2 3.98Å; L128-A130 VanDerWaalsContact C-N 3.34Å; L128-V131 HydrophobicContact CD2-CG2 4.21Å; L128-V131 WeakPolarHBondContact O-CB 3.35Å; L128-V131 PolarHBondContact O-N 2.84Å; L128-Q132 WeakPolarHBondContact O-CG 3.37Å; L128-Q132 PolarHBondContact O-N 3.31Å |
| 129 | A | 92.1 | Very high | 91.9 | Very high | 5 Ų | 5 | 20.2 Ų | 20.2 | 4% | 0.041 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -68.8 | -34.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | K28 D127 V131 Q132 R133 | K28-A129 HydrophobicContact CB-CB 3.88Å; D127-A129 PolarHBondContact O-N 3.04Å; D127-A129 WeakPolarHBondContact OD1-CB 3.48Å; D127-A129 PolarHBondContact OD1-N 2.93Å; D127-A129 VanDerWaalsContact OD1-N 3.17Å; A129-V131 VanDerWaalsContact C-N 3.34Å; A129-Q132 PolarHBondContact O-N 2.9Å; A129-R133 WeakPolarHBondContact O-CB 2.7Å; A129-R133 PolarHBondContact O-N 3.08Å |
| 130 | A | 92.8 | Very high | 91.7 | Very high | 7 Ų | 7 | 19.6 Ų | 19.6 | 6% | 0.058 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -62.1 | -41.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | F117 D127 L128 R133 T134 | F117-A130 HydrophobicContact CB-CB 3.9Å; D127-A130 HydrophobicContact CB-CB 4.14Å; D127-A130 WeakPolarHBondContact O-CB 3.36Å; D127-A130 PolarHBondContact O-N 3Å; D127-A130 PolarHBondContact OD1-N 2.54Å; L128-A130 VanDerWaalsContact C-N 3.34Å; A130-R133 WeakPolarHBondContact O-CB 3.43Å; A130-R133 PolarHBondContact O-N 2.84Å; A130-T134 PolarHBondContact O-N 3.44Å; A130-T134 PolarHBondContact O-OG1 3.3Å; A130-T134 VanDerWaalsContact O-OG1 3.04Å |
| 131 | V | 94.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -60.5 | -47.1 | 176.2 | -177.8 | 0 | 0 | 0 | 0 | 111.2 | F59 L63 F117 L122 L128 A129 R133 T134 L135 | F59-V131 HydrophobicContact CE1-CG1 4.42Å; L63-V131 HydrophobicContact CD1-CG1 4.28Å; F117-V131 HydrophobicContact CB-CG2 4.13Å; F117-V131 HydrophobicContact CD1-CB 4.24Å; F117-V131 HydrophobicContact CD1-CG1 4.28Å; F117-V131 HydrophobicContact CD1-CG2 4.02Å; F117-V131 HydrophobicContact CD2-CG2 3.92Å; F117-V131 HydrophobicContact CE1-CG1 4.14Å; F117-V131 HydrophobicContact CE1-CG2 4.42Å; F117-V131 HydrophobicContact CE2-CG2 4.35Å; F117-V131 HydrophobicContact CG-CB 4.45Å; F117-V131 HydrophobicContact CG-CG2 3.79Å; L122-V131 HydrophobicContact CB-CG2 3.87Å; L122-V131 HydrophobicContact CD1-CG1 4.42Å; L122-V131 HydrophobicContact CD1-CG2 4.3Å; L128-V131 HydrophobicContact CD2-CG2 4.21Å; L128-V131 WeakPolarHBondContact O-CB 3.35Å; L128-V131 PolarHBondContact O-N 2.84Å; A129-V131 VanDerWaalsContact C-N 3.34Å; V131-R133 VanDerWaalsContact C-N 3.28Å; V131-R133 PolarHBondContact O-N 3.21Å; V131-T134 PolarHBondContact O-N 3.4Å; V131-L135 HydrophobicContact CG1-CD1 4.07Å; V131-L135 WeakPolarHBondContact O-CG 3.44Å; V131-L135 PolarHBondContact O-N 2.99Å |
| 132 | Q | 93.5 | Very high | 91.3 | Very high | 3 Ų | 3 | 17.5 Ų | 17.5 | 1% | 0.014 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -57.8 | -42.2 | 175.2 | -70.4 | -174.3 | -49 | 0 | 0 | 111.7 | Y29 D30 L33 L37 F59 L128 A129 L135 S136 | Y29-Q132 HydrophobicContact CD2-CG 4.34Å; Y29-Q132 VanDerWaalsContact CD2-OE1 3.31Å; Y29-Q132 VanDerWaalsContact CE2-CD 3.42Å; Y29-Q132 HydrophobicContact CE2-CG 3.92Å; D30-Q132 PolarHBondContact O-NE2 3.22Å; L33-Q132 HydrophobicContact CD2-CB 4.03Å; L37-Q132 HydrophobicContact CD1-CB 3.93Å; L37-Q132 HydrophobicContact CD1-CG 3.92Å; F59-Q132 HydrophobicContact CE1-CG 4.49Å; L128-Q132 WeakPolarHBondContact O-CG 3.37Å; L128-Q132 PolarHBondContact O-N 3.31Å; A129-Q132 PolarHBondContact O-N 2.9Å; Q132-L135 PolarHBondContact O-N 3.38Å; Q132-S136 VanDerWaalsContact O-CB 3.31Å; Q132-S136 WeakPolarHBondContact O-CB 3.28Å; Q132-S136 PolarHBondContact O-N 3.23Å; Q132-S136 PolarHBondContact O-OG 3Å |
| 133 | R | 93.4 | Very high | 91 | Very high | 101 Ų | 101 | 18 Ų | 18 | 38% | 0.381 | 9% | 0.092 | S | C | . | . | H | α-helix | trans | -64.1 | -45 | 179.1 | -158.2 | -173.3 | -48.5 | 135.4 | 15.4 | 112.1 | A129 A130 V131 S136 A137 | A129-R133 WeakPolarHBondContact O-CB 2.7Å; A129-R133 PolarHBondContact O-N 3.08Å; A130-R133 WeakPolarHBondContact O-CB 3.43Å; A130-R133 PolarHBondContact O-N 2.84Å; V131-R133 VanDerWaalsContact C-N 3.28Å; V131-R133 PolarHBondContact O-N 3.21Å; R133-S136 PolarHBondContact O-N 3.02Å; R133-A137 WeakPolarHBondContact O-CB 3.41Å; R133-A137 PolarHBondContact O-N 2.99Å |
| 134 | T | 94.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -61.2 | -45.8 | 177 | -51.4 | 0 | 0 | 0 | 0 | 111.5 | V111 D115 M116 F117 A130 V131 A137 L138 | V111-T134 HydrophobicContact CG1-CG2 4.25Å; D115-T134 VanDerWaalsContact O-CA 3.25Å; D115-T134 WeakPolarHBondContact O-CA 3.18Å; D115-T134 VanDerWaalsContact O-CB 3.3Å; D115-T134 WeakPolarHBondContact O-CB 3.35Å; D115-T134 PolarHBondContact O-N 3.01Å; D115-T134 PolarHBondContact O-OG1 2.93Å; M116-T134 WeakPolarHBondContact CA-OG1 3.46Å; F117-T134 HydrophobicContact CD1-CG2 3.94Å; F117-T134 VanDerWaalsContact CD1-OG1 3.31Å; F117-T134 WeakPolarHBondContact CD1-OG1 3.16Å; F117-T134 HydrophobicContact CE1-CG2 4.27Å; F117-T134 PolarHBondContact N-OG1 3.47Å; A130-T134 PolarHBondContact O-N 3.44Å; A130-T134 PolarHBondContact O-OG1 3.3Å; A130-T134 VanDerWaalsContact O-OG1 3.04Å; V131-T134 PolarHBondContact O-N 3.4Å; T134-A137 PolarHBondContact O-N 3.19Å; T134-L138 WeakPolarHBondContact O-CB 3.34Å; T134-L138 PolarHBondContact O-N 3.45Å |
| 135 | L | 94.3 | Very high | 90 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -66 | -39.7 | 179.1 | -68.4 | 172.6 | 0 | 0 | 0 | 111.9 | L37 I41 F59 L63 L69 L72 F102 V131 Q132 L138 G139 | L37-L135 HydrophobicContact CD1-CB 4.18Å; L37-L135 HydrophobicContact CD1-CD1 4.34Å; L37-L135 HydrophobicContact CD2-CB 3.75Å; I41-L135 HydrophobicContact CD1-CD1 4.25Å; F59-L135 HydrophobicContact CZ-CD1 3.98Å; L63-L135 HydrophobicContact CD1-CD1 4.04Å; L69-L135 HydrophobicContact CD2-CD2 3.82Å; L72-L135 HydrophobicContact CD2-CD2 3.64Å; F102-L135 HydrophobicContact CZ-CD2 4.05Å; V131-L135 HydrophobicContact CG1-CD1 4.07Å; V131-L135 WeakPolarHBondContact O-CG 3.44Å; V131-L135 PolarHBondContact O-N 2.99Å; Q132-L135 PolarHBondContact O-N 3.38Å; L135-L138 WeakPolarHBondContact O-CB 3.39Å; L135-L138 PolarHBondContact O-N 3.25Å; L135-G139 PolarHBondContact O-N 3.44Å |
| 136 | S | 92.6 | Very high | 88.9 | Confident | 21 Ų | 21 | 25.4 Ų | 25.4 | 15% | 0.147 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -65.6 | -39.5 | 175.9 | -56.6 | 0 | 0 | 0 | 0 | 112 | Q132 R133 L138 G139 S140 | Q132-S136 VanDerWaalsContact O-CB 3.31Å; Q132-S136 WeakPolarHBondContact O-CB 3.28Å; Q132-S136 PolarHBondContact O-N 3.23Å; Q132-S136 PolarHBondContact O-OG 3Å; R133-S136 PolarHBondContact O-N 3.02Å; S136-L138 VanDerWaalsContact C-N 3.35Å; S136-G139 PolarHBondContact O-N 2.85Å; S136-S140 WeakPolarHBondContact O-CB 3.1Å; S136-S140 PolarHBondContact O-N 3.4Å; S136-S140 PolarHBondContact O-OG 2.92Å |
| 137 | A | 91.6 | Very high | 88 | Confident | 8 Ų | 8 | 27 Ų | 27 | 7% | 0.066 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -64.8 | -40.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | V111 D115 R133 T134 L141 | V111-A137 HydrophobicContact CG1-CB 4.33Å; D115-A137 HydrophobicContact CB-CB 4.12Å; R133-A137 WeakPolarHBondContact O-CB 3.41Å; R133-A137 PolarHBondContact O-N 2.99Å; T134-A137 PolarHBondContact O-N 3.19Å; A137-L141 VanDerWaalsContact O-CG 3.3Å; A137-L141 WeakPolarHBondContact O-CG 3.49Å; A137-L141 PolarHBondContact O-N 2.97Å |
| 138 | L | 92.3 | Very high | 86.8 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.6 | -47.7 | 174.6 | -178.3 | 64.7 | 0 | 0 | 0 | 111.6 | W40 L72 I73 L76 F102 Y109 V111 T134 L135 S136 S140 L141 A142 | W40-L138 HydrophobicContact CH2-CB 4.49Å; W40-L138 HydrophobicContact CH2-CD2 4.31Å; W40-L138 HydrophobicContact CH2-CG 4.24Å; L72-L138 HydrophobicContact CD2-CD2 4.17Å; I73-L138 HydrophobicContact CD1-CD1 3.8Å; I73-L138 HydrophobicContact CD1-CD2 4.14Å; L76-L138 HydrophobicContact CD1-CD1 3.9Å; L76-L138 HydrophobicContact CD1-CD2 3.92Å; L76-L138 HydrophobicContact CD1-CG 3.77Å; F102-L138 HydrophobicContact CE2-CD2 3.97Å; F102-L138 HydrophobicContact CZ-CD2 4.08Å; Y109-L138 HydrophobicContact CD1-CD1 3.43Å; Y109-L138 VanDerWaalsContact CD1-CD1 3.43Å; Y109-L138 HydrophobicContact CE1-CD1 3.94Å; Y109-L138 HydrophobicContact CG-CD1 4.07Å; V111-L138 HydrophobicContact CG2-CB 4.05Å; V111-L138 HydrophobicContact CG2-CD1 3.88Å; T134-L138 WeakPolarHBondContact O-CB 3.34Å; T134-L138 PolarHBondContact O-N 3.45Å; L135-L138 WeakPolarHBondContact O-CB 3.39Å; L135-L138 PolarHBondContact O-N 3.25Å; S136-L138 VanDerWaalsContact C-N 3.35Å; L138-S140 PolarHBondContact O-N 3.19Å; L138-L141 PolarHBondContact O-N 2.89Å; L138-A142 PolarHBondContact O-N 3.22Å |
| 139 | G | 90.5 | Very high | 86 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.6 | -45.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | L135 S136 L141 A142 V143 | L135-G139 PolarHBondContact O-N 3.44Å; S136-G139 PolarHBondContact O-N 2.85Å; G139-L141 VanDerWaalsContact C-N 3.31Å; G139-L141 PolarHBondContact O-N 3.02Å; G139-A142 WeakPolarHBondContact O-CB 3.15Å; G139-A142 PolarHBondContact O-N 2.7Å; G139-A142 VanDerWaalsContact O-N 3.13Å; G139-V143 WeakPolarHBondContact O-CG2 3.48Å; G139-V143 PolarHBondContact O-N 3.09Å |
| 140 | S | 89.2 | Confident | 85.5 | Confident | 15 Ų | 15 | 31.2 Ų | 31.2 | 11% | 0.105 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.3 | -41.4 | 175.9 | -57.7 | 0 | 0 | 0 | 0 | 112.1 | S136 L138 T144 F158 | S136-S140 WeakPolarHBondContact O-CB 3.1Å; S136-S140 PolarHBondContact O-N 3.4Å; S136-S140 PolarHBondContact O-OG 2.92Å; L138-S140 PolarHBondContact O-N 3.19Å; S140-T144 WeakPolarHBondContact O-CB 3.38Å; S140-T144 PolarHBondContact O-N 3.25Å; S140-T144 PolarHBondContact O-OG1 2.95Å; S140-F158 VanDerWaalsContact CB-O 3.29Å; S140-F158 WeakPolarHBondContact CB-O 3.47Å |
| 141 | L | 87.6 | Confident | 84.8 | Confident | 18 Ų | 18 | 34.9 Ų | 34.9 | 9% | 0.094 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.9 | -41.8 | 175.3 | -73.9 | 166.6 | 0 | 0 | 0 | 111.8 | Y109 G110 V111 A137 L138 G139 T144 K145 K160 | Y109-L141 HydrophobicContact CD1-CB 4.25Å; Y109-L141 HydrophobicContact CE1-CB 3.95Å; G110-L141 VanDerWaalsContact C-CD1 3.42Å; G110-L141 WeakPolarHBondContact O-CD1 3.24Å; V111-L141 HydrophobicContact CB-CD1 4.35Å; V111-L141 HydrophobicContact CG2-CD1 3.78Å; A137-L141 VanDerWaalsContact O-CG 3.3Å; A137-L141 WeakPolarHBondContact O-CG 3.49Å; A137-L141 PolarHBondContact O-N 2.97Å; L138-L141 PolarHBondContact O-N 2.89Å; G139-L141 VanDerWaalsContact C-N 3.31Å; G139-L141 PolarHBondContact O-N 3.02Å; L141-T144 PolarHBondContact O-N 3Å; L141-T144 VanDerWaalsContact O-N 3.12Å; L141-K145 PolarHBondContact O-N 3.33Å; L141-K160 HydrophobicContact CD2-CD 3.92Å; L141-K160 HydrophobicContact CG-CD 4.3Å |
| 142 | A | 86.8 | Confident | 84 | Confident | 3 Ų | 3 | 36.1 Ų | 36.1 | 3% | 0.025 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.3 | -42.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L76 Y109 L138 G139 T144 Y150 | L76-A142 HydrophobicContact CD1-CB 4.35Å; L76-A142 HydrophobicContact CD2-CB 3.68Å; Y109-A142 HydrophobicContact CE1-CB 4.33Å; Y109-A142 WeakPolarHBondContact OH-CA 3.5Å; L138-A142 PolarHBondContact O-N 3.22Å; G139-A142 WeakPolarHBondContact O-CB 3.15Å; G139-A142 PolarHBondContact O-N 2.7Å; G139-A142 VanDerWaalsContact O-N 3.13Å; A142-T144 PolarHBondContact O-N 2.95Å; A142-Y150 HydrophobicContact CB-CD2 3.8Å |
| 143 | V | 86.9 | Confident | 83.3 | Confident | 10 Ų | 10 | 38.8 Ų | 38.8 | 6% | 0.061 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.3 | -30.6 | 174.6 | -179.9 | 0 | 0 | 0 | 0 | 111.7 | G139 Y150 P154 F157 K159 | G139-V143 WeakPolarHBondContact O-CG2 3.48Å; G139-V143 PolarHBondContact O-N 3.09Å; V143-Y150 HydrophobicContact CG2-CD1 3.97Å; V143-Y150 HydrophobicContact CG2-CD2 3.72Å; V143-Y150 HydrophobicContact CG2-CE1 3.71Å; V143-Y150 HydrophobicContact CG2-CE2 3.42Å; V143-Y150 VanDerWaalsContact CG2-CE2 3.42Å; V143-Y150 HydrophobicContact CG2-CG 3.98Å; V143-Y150 VanDerWaalsContact CG2-CZ 3.44Å; V143-P154 HydrophobicContact CG1-CB 4.26Å; V143-F157 HydrophobicContact CG2-CB 4.19Å; V143-F157 HydrophobicContact CG2-CD2 4.22Å; V143-K159 HydrophobicContact CG1-CD 4.44Å; V143-K159 HydrophobicContact CG1-CG 3.72Å |
| 144 | T | 82.8 | Confident | 82.5 | Confident | 16 Ų | 16 | 37.4 Ų | 37.4 | 10% | 0.098 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -79.5 | -32.9 | -175.6 | -55.4 | 0 | 0 | 0 | 0 | 113.4 | S140 L141 A142 E146 K159 K160 Q162 | S140-T144 WeakPolarHBondContact O-CB 3.38Å; S140-T144 PolarHBondContact O-N 3.25Å; S140-T144 PolarHBondContact O-OG1 2.95Å; L141-T144 PolarHBondContact O-N 3Å; L141-T144 VanDerWaalsContact O-N 3.12Å; A142-T144 PolarHBondContact O-N 2.95Å; T144-E146 PolarHBondContact O-N 2.84Å; T144-K159 WeakPolarHBondContact OG1-CA 3.29Å; T144-K160 HydrophobicContact CG2-CB 4.36Å; T144-K160 WeakPolarHBondContact CG2-O 3.36Å; T144-K160 PolarHBondContact OG1-N 2.99Å; T144-Q162 HydrophobicContact CG2-CG 3.59Å |
| 145 | K | 77.7 | Confident | 81.8 | Confident | 82 Ų | 82 | 44 Ų | 44 | 36% | 0.357 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -71.7 | -13.7 | -175.4 | -76.9 | -172.3 | 178.1 | -176.9 | 0 | 114.3 | Y109 L141 E147 | Y109-K145 HydrophobicContact CE1-CD 4.43Å; Y109-K145 HydrophobicContact CE2-CD 4.43Å; Y109-K145 WeakPolarHBondContact O-CE 3.24Å; Y109-K145 PolarHBondContact O-NZ 3.48Å; L141-K145 PolarHBondContact O-N 3.33Å; K145-E147 HydrophobicContact CB-CG 4.1Å; K145-E147 PolarHBondContact O-N 3.17Å |
| 146 | E | 64.8 | Low | 81.3 | Confident | 146 Ų | 146 | 46.4 Ų | 46.4 | 68% | 0.682 | 26% | 0.263 | S | S | * | . | trans | 48.5 | 24.8 | 179 | -61.4 | -169.4 | 157 | 0 | 0 | 114.4 | T144 G148 K159 | T144-E146 PolarHBondContact O-N 2.84Å; E146-G148 PolarHBondContact O-N 3.35Å; E146-G148 VanDerWaalsContact O-N 3.16Å; E146-K159 IonicContact OE1-NZ 2.71Å; E146-K159 PolarHBondContact OE1-NZ 2.93Å | ||
| 147 | E | 67.1 | Low | 81 | Confident | 101 Ų | 101 | 45.8 Ų | 45.8 | 47% | 0.472 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -75 | 1.3 | -179.4 | -74.4 | 176.9 | -171.1 | 0 | 0 | 113.2 | K145 T149 | K145-E147 HydrophobicContact CB-CG 4.1Å; K145-E147 PolarHBondContact O-N 3.17Å; E147-T149 PolarHBondContact O-N 3.44Å |
| 148 | G | 65.3 | Low | 80.4 | Confident | 72 Ų | 72 | 53.7 Ų | 53.7 | 74% | 0.742 | 29% | 0.291 | S | S | * | . | S | Bend | trans | 71 | 6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115 | E146 | E146-G148 PolarHBondContact O-N 3.35Å; E146-G148 VanDerWaalsContact O-N 3.16Å |
| 149 | T | 75.4 | Confident | 79.5 | Confident | 19 Ų | 19 | 59.5 Ų | 59.5 | 12% | 0.117 | 32% | 0.316 | C | S | . | . | trans | -89.8 | -12.2 | 179.1 | 52.6 | 0 | 0 | 0 | 0 | 114.2 | Q44 L76 P78 E147 N151 | Q44-T149 PolarHBondContact NE2-O 3.42Å; L76-T149 PolarHBondContact O-OG1 2.94Å; P78-T149 HydrophobicContact CB-CG2 3.56Å; P78-T149 HydrophobicContact CG-CG2 3.87Å; E147-T149 PolarHBondContact O-N 3.44Å; T149-N151 PolarHBondContact O-ND2 3.05Å | ||
| 150 | Y | 81.3 | Confident | 78.7 | Confident | 34 Ų | 34 | 62.9 Ų | 62.9 | 13% | 0.133 | 33% | 0.331 | C | S | . | . | trans | -78 | 124.6 | 176.3 | 179.2 | -92.8 | 0 | 0 | 0 | 110.9 | W40 A142 V143 D153 F157 | W40-Y150 AromaticContact CD1-CE2 3.68Å; W40-Y150 AromaticContact CD1-CZ 3.96Å; W40-Y150 AromaticContact CE2-CE2 3.9Å; W40-Y150 HydrophobicContact CZ2-CE2 4.42Å; W40-Y150 AromaticContact NE1-CD2 3.72Å; W40-Y150 AromaticContact NE1-CE2 3.13Å; W40-Y150 AromaticContact NE1-CZ 3.87Å; A142-Y150 HydrophobicContact CB-CD2 3.8Å; V143-Y150 HydrophobicContact CG2-CD1 3.97Å; V143-Y150 HydrophobicContact CG2-CD2 3.72Å; V143-Y150 HydrophobicContact CG2-CE1 3.71Å; V143-Y150 HydrophobicContact CG2-CE2 3.42Å; V143-Y150 VanDerWaalsContact CG2-CE2 3.42Å; V143-Y150 HydrophobicContact CG2-CG 3.98Å; V143-Y150 VanDerWaalsContact CG2-CZ 3.44Å; Y150-D153 PolarHBondContact OH-O 3.27Å; Y150-F157 AromaticContact CE2-CD2 3.92Å; Y150-F157 HydrophobicContact CE2-CD2 3.92Å; Y150-F157 HydrophobicContact CE2-CE2 4.07Å; Y150-F157 VanDerWaalsContact OH-CD2 3.3Å; Y150-F157 WeakPolarHBondContact OH-CD2 3.49Å; Y150-F157 WeakPolarHBondContact OH-CE2 3.35Å | ||
| 151 | N | 77.8 | Confident | 77.5 | Confident | 83 Ų | 83 | 67 Ų | 67 | 44% | 0.444 | 37% | 0.366 | S | S | . | . | trans | -118.5 | 112 | 176.5 | -63.2 | -58.6 | 0 | 0 | 0 | 109.2 | Q44 T149 | Q44-N151 PolarHBondContact OE1-O 3.32Å; T149-N151 PolarHBondContact O-ND2 3.05Å | ||
| 152 | G | 79 | Confident | 76.3 | Confident | 26 Ų | 26 | 72.5 Ų | 72.5 | 27% | 0.268 | 39% | 0.392 | S | S | . | . | S | Bend | trans | 157.5 | 179.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | P154 | G152-P154 WeakPolarHBondContact O-CD 3.29Š|
| 153 | D | 78.3 | Confident | 75.3 | Confident | 60 Ų | 60 | 79.5 Ų | 79.5 | 32% | 0.321 | 42% | 0.424 | S | S | . | . | trans | -73.8 | 123.4 | 169.8 | -165.3 | -32.2 | 0 | 0 | 0 | 108.8 | Y150 N155 W156 | Y150-D153 PolarHBondContact OH-O 3.27Å; D153-N155 PolarHBondContact O-N 2.8Å; D153-N155 VanDerWaalsContact OD1-CB 3.27Å; D153-N155 WeakPolarHBondContact OD1-CB 3.34Å; D153-N155 PolarHBondContact OD1-N 2.78Å; D153-W156 HydrophobicContact CB-CD2 3.68Å; D153-W156 HydrophobicContact CB-CE3 4.09Å; D153-W156 HydrophobicContact CB-CG 4.08Å; D153-W156 HydrophobicContact CB-CH2 4.25Å; D153-W156 HydrophobicContact CB-CZ2 3.86Å; D153-W156 HydrophobicContact CB-CZ3 4.36Å; D153-W156 PolarHBondContact O-N 3.45Å | ||
| 154 | P | 75.9 | Confident | 74.5 | Confident | 72 Ų | 72 | 84.6 Ų | 84.6 | 47% | 0.468 | 45% | 0.451 | S | S | . | . | G | 310 helix | trans | -61.4 | -19.8 | 174.7 | -23.3 | 35.2 | 0 | 0 | 0 | 113.6 | V143 G152 W156 | V143-P154 HydrophobicContact CG1-CB 4.26Å; G152-P154 WeakPolarHBondContact O-CD 3.29Å; P154-W156 PolarHBondContact O-N 2.92Å |
| 155 | N | 80.9 | Confident | 74 | Confident | 137 Ų | 137 | 90.6 Ų | 90.6 | 73% | 0.733 | 48% | 0.475 | S | S | * | . | G | 310 helix | trans | -74.7 | -12.7 | -179.6 | -65.2 | -19.9 | 0 | 0 | 0 | 113.6 | D153 F157 | D153-N155 PolarHBondContact O-N 2.8Å; D153-N155 VanDerWaalsContact OD1-CB 3.27Å; D153-N155 WeakPolarHBondContact OD1-CB 3.34Å; D153-N155 PolarHBondContact OD1-N 2.78Å; N155-F157 VanDerWaalsContact C-N 3.3Å |
| 156 | W | 83.4 | Confident | 73.8 | Confident | 52 Ų | 52 | 95.1 Ų | 95.1 | 20% | 0.197 | 49% | 0.49 | C | S | . | . | G | 310 helix | trans | -71 | -26.2 | 177.2 | -68.1 | -22.6 | 0 | 0 | 0 | 113.5 | I36 E39 W40 D153 P154 | I36-W156 HydrophobicContact CG2-CB 3.57Å; I36-W156 HydrophobicContact CG2-CD2 4.19Å; I36-W156 HydrophobicContact CG2-CG 3.61Å; E39-W156 HydrophobicContact CB-CH2 4.26Å; E39-W156 HydrophobicContact CB-CZ2 4.44Å; E39-W156 HydrophobicContact CG-CH2 3.44Å; E39-W156 VanDerWaalsContact CG-CH2 3.44Å; E39-W156 HydrophobicContact CG-CZ2 3.67Å; E39-W156 HydrophobicContact CG-CZ3 4.35Å; W40-W156 HydrophobicContact CB-CE3 3.86Å; W40-W156 HydrophobicContact CB-CZ3 3.99Å; W40-W156 HydrophobicContact CG-CE3 4.48Å; D153-W156 HydrophobicContact CB-CD2 3.68Å; D153-W156 HydrophobicContact CB-CE3 4.09Å; D153-W156 HydrophobicContact CB-CG 4.08Å; D153-W156 HydrophobicContact CB-CH2 4.25Å; D153-W156 HydrophobicContact CB-CZ2 3.86Å; D153-W156 HydrophobicContact CB-CZ3 4.36Å; D153-W156 PolarHBondContact O-N 3.45Å; P154-W156 PolarHBondContact O-N 2.92Å |
| 157 | F | 85.6 | Confident | 74.4 | Confident | 8 Ų | 8 | 95.6 Ų | 95.6 | 4% | 0.035 | 50% | 0.497 | C | S | . | . | S | Bend | trans | -132.5 | 145.6 | -179.8 | -52.2 | -71.5 | 0 | 0 | 0 | 110.9 | L37 W40 V143 Y150 N155 | L37-F157 HydrophobicContact CD2-CE1 3.88Å; L37-F157 HydrophobicContact CD2-CZ 4.01Å; W40-F157 HydrophobicContact CB-CE2 4.03Å; W40-F157 HydrophobicContact CB-CZ 4.03Å; W40-F157 AromaticContact CD1-CE2 3.83Å; W40-F157 AromaticContact CD2-CE2 3.5Å; W40-F157 HydrophobicContact CD2-CE2 3.5Å; W40-F157 AromaticContact CD2-CZ 3.55Å; W40-F157 HydrophobicContact CD2-CZ 3.55Å; W40-F157 AromaticContact CE2-CE2 3.85Å; W40-F157 AromaticContact CE3-CE2 3.98Å; W40-F157 HydrophobicContact CE3-CE2 3.98Å; W40-F157 AromaticContact CE3-CZ 3.53Å; W40-F157 HydrophobicContact CE3-CZ 3.53Å; W40-F157 AromaticContact CG-CE2 3.5Å; W40-F157 HydrophobicContact CG-CE2 3.5Å; W40-F157 VanDerWaalsContact CG-CE2 3.5Å; W40-F157 AromaticContact CG-CZ 3.76Å; W40-F157 HydrophobicContact CG-CZ 3.76Å; W40-F157 HydrophobicContact CZ3-CZ 4.18Å; V143-F157 HydrophobicContact CG2-CB 4.19Å; V143-F157 HydrophobicContact CG2-CD2 4.22Å; Y150-F157 AromaticContact CE2-CD2 3.92Å; Y150-F157 HydrophobicContact CE2-CD2 3.92Å; Y150-F157 HydrophobicContact CE2-CE2 4.07Å; Y150-F157 VanDerWaalsContact OH-CD2 3.3Å; Y150-F157 WeakPolarHBondContact OH-CD2 3.49Å; Y150-F157 WeakPolarHBondContact OH-CE2 3.35Å; N155-F157 VanDerWaalsContact C-N 3.3Å |
| 158 | F | 79.1 | Confident | 75.2 | Confident | 173 Ų | 173 | 95.9 Ų | 95.9 | 76% | 0.759 | 50% | 0.497 | S | S | * | . | P | Polyproline II helix | trans | -81.5 | 137.6 | 178.5 | -53.1 | -79.7 | 0 | 0 | 0 | 110.4 | S140 K160 | S140-F158 VanDerWaalsContact CB-O 3.29Å; S140-F158 WeakPolarHBondContact CB-O 3.47Å; F158-K160 PolarHBondContact O-N 3.39Å |
| 159 | K | 75.1 | Confident | 76.1 | Confident | 122 Ų | 122 | 95.2 Ų | 95.2 | 53% | 0.53 | 48% | 0.481 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 122 | 169.1 | -75.3 | -173.1 | 176.5 | -170.6 | 0 | 109.3 | V143 T144 E146 | V143-K159 HydrophobicContact CG1-CD 4.44Å; V143-K159 HydrophobicContact CG1-CG 3.72Å; T144-K159 WeakPolarHBondContact OG1-CA 3.29Å; E146-K159 IonicContact OE1-NZ 2.71Å; E146-K159 PolarHBondContact OE1-NZ 2.93Å |
| 160 | K | 73.1 | Confident | 76.5 | Confident | 71 Ų | 71 | 100.9 Ų | 100.9 | 31% | 0.309 | 51% | 0.511 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 137.8 | 173.2 | -71.5 | -167.5 | 175.8 | -175 | 0 | 109 | L141 T144 F158 Q162 | L141-K160 HydrophobicContact CD2-CD 3.92Å; L141-K160 HydrophobicContact CG-CD 4.3Å; T144-K160 HydrophobicContact CG2-CB 4.36Å; T144-K160 WeakPolarHBondContact CG2-O 3.36Å; T144-K160 PolarHBondContact OG1-N 2.99Å; F158-K160 PolarHBondContact O-N 3.39Å; K160-Q162 PolarHBondContact O-N 3.36Å |
| 161 | A | 63.6 | Low | 76.5 | Confident | 103 Ų | 103 | 106.9 Ų | 106.9 | 85% | 0.851 | 54% | 0.54 | S | S | * | . | P | Polyproline II helix | trans | -60.3 | 124.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 162 | Q | 61.8 | Low | 76.7 | Confident | 133 Ų | 133 | 108.1 Ų | 108.1 | 62% | 0.621 | 54% | 0.543 | S | S | * | . | P | Polyproline II helix | trans | -92.3 | 141.1 | 173.9 | -67.3 | -59.8 | -58.5 | 0 | 0 | 109.8 | T144 K160 N164 | T144-Q162 HydrophobicContact CG2-CG 3.59Å; K160-Q162 PolarHBondContact O-N 3.36Å; Q162-N164 PolarHBondContact O-N 3.26Å; Q162-N164 VanDerWaalsContact O-N 3.16Å |
| 163 | E | 67.5 | Low | 77 | Confident | 149 Ų | 149 | 111.1 Ų | 111.1 | 70% | 0.696 | 55% | 0.553 | S | S | * | * | trans | -64.6 | 115.2 | 173.9 | -173.4 | -173.3 | -179.9 | 0 | 0 | 109.1 | K165 | E163-K165 VanDerWaalsContact C-N 3.33Å; E163-K165 HydrophobicContact CG-CG 3.9Å; E163-K165 PolarHBondContact O-N 3.38Å; E163-K165 VanDerWaalsContact O-N 3.08Å; E163-K165 VanDerWaalsContact OE1-CE 3.22Å; E163-K165 WeakPolarHBondContact OE1-CE 3.43Å; E163-K165 WeakPolarHBondContact OE2-CE 3.39Å; E163-K165 IonicContact OE2-NZ 3.22Å | ||
| 164 | N | 69.6 | Low | 77.2 | Confident | 118 Ų | 118 | 115.3 Ų | 115.3 | 63% | 0.631 | 57% | 0.568 | S | S | * | * | trans | -82.5 | 82.4 | 172.5 | -173.4 | 3.6 | 0 | 0 | 0 | 109 | Q162 R166 | Q162-N164 PolarHBondContact O-N 3.26Å; Q162-N164 VanDerWaalsContact O-N 3.16Å; N164-R166 PolarHBondContact O-N 2.96Å; N164-R166 VanDerWaalsContact O-N 3.12Å | ||
| 165 | K | 71.4 | Confident | 77.5 | Confident | 141 Ų | 141 | 114.5 Ų | 114.5 | 61% | 0.613 | 57% | 0.568 | S | S | * | * | trans | -67.7 | 108.6 | 171 | -67.9 | -172.4 | -176.1 | 179.5 | 0 | 108.4 | E163 | E163-K165 VanDerWaalsContact C-N 3.33Å; E163-K165 HydrophobicContact CG-CG 3.9Å; E163-K165 PolarHBondContact O-N 3.38Å; E163-K165 VanDerWaalsContact O-N 3.08Å; E163-K165 VanDerWaalsContact OE1-CE 3.22Å; E163-K165 WeakPolarHBondContact OE1-CE 3.43Å; E163-K165 WeakPolarHBondContact OE2-CE 3.39Å; E163-K165 IonicContact OE2-NZ 3.22Å | ||
| 166 | R | 73.4 | Confident | 77.4 | Confident | 177 Ų | 177 | 110 Ų | 110 | 67% | 0.668 | 55% | 0.554 | S | S | * | * | trans | -92 | 105.3 | 174.7 | -66.1 | -177.6 | 179.7 | -172.9 | -1.1 | 108.2 | N164 F168 | N164-R166 PolarHBondContact O-N 2.96Å; N164-R166 VanDerWaalsContact O-N 3.12Å; R166-F168 HydrophobicContact CB-CE2 4.07Å; R166-F168 HydrophobicContact CB-CZ 4.04Å; R166-F168 PolarHBondContact O-N 3.39Å | ||
| 167 | D | 77.7 | Confident | 77 | Confident | 156 Ų | 156 | 116.1 Ų | 116.1 | 83% | 0.834 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 117.7 | 169.4 | -63.9 | -61.7 | 0 | 0 | 0 | 108.7 | ||
| 168 | F | 83.4 | Confident | 76.4 | Confident | 107 Ų | 107 | 121.9 Ų | 121.9 | 47% | 0.469 | 61% | 0.613 | S | S | . | * | P | Polyproline II helix | trans | -94.8 | 139.1 | 172.5 | -62 | -75.4 | 0 | 0 | 0 | 108.7 | R166 Q172 L173 | R166-F168 HydrophobicContact CB-CE2 4.07Å; R166-F168 HydrophobicContact CB-CZ 4.04Å; R166-F168 PolarHBondContact O-N 3.39Å; F168-Q172 HydrophobicContact CD1-CG 4.37Å; F168-L173 HydrophobicContact CB-CD2 3.83Å; F168-L173 HydrophobicContact CB-CG 3.85Å; F168-L173 HydrophobicContact CD2-CD2 4.34Å; F168-L173 HydrophobicContact CG-CD2 4.37Å |
| 169 | S | 84.8 | Confident | 76 | Confident | 59 Ų | 59 | 118.9 Ų | 118.9 | 41% | 0.413 | 61% | 0.609 | S | S | . | * | P | Polyproline II helix | trans | -63.8 | 153.7 | 172.7 | 71.3 | 0 | 0 | 0 | 0 | 110.7 | E171 Q172 L173 | S169-E171 PolarHBondContact O-N 3.48Å; S169-Q172 WeakPolarHBondContact O-CB 3.36Å; S169-Q172 PolarHBondContact O-N 3.11Å; S169-Q172 WeakPolarHBondContact OG-CB 3.48Å; S169-Q172 PolarHBondContact OG-N 3.2Å; S169-L173 PolarHBondContact O-N 3.43Å |
| 170 | D | 83.6 | Confident | 75.4 | Confident | 138 Ų | 138 | 119.8 Ų | 119.8 | 74% | 0.738 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -58.2 | -35.3 | 178.3 | -134.3 | -32.4 | 0 | 0 | 0 | 111.4 | L173 K174 | D170-L173 PolarHBondContact O-N 3.04Å; D170-K174 VanDerWaalsContact O-CB 3.26Å; D170-K174 WeakPolarHBondContact O-CB 3.35Å; D170-K174 PolarHBondContact O-N 3.22Å |
| 171 | E | 82.6 | Confident | 75.1 | Confident | 160 Ų | 160 | 118.3 Ų | 118.3 | 75% | 0.748 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -64.6 | -41.3 | 173.9 | -66.2 | 174.3 | 146.4 | 0 | 0 | 112.3 | S169 K174 A175 | S169-E171 PolarHBondContact O-N 3.48Å; E171-K174 PolarHBondContact O-N 3.25Å; E171-A175 VanDerWaalsContact O-CB 3.31Å; E171-A175 WeakPolarHBondContact O-CB 3.47Å; E171-A175 PolarHBondContact O-N 2.91Å |
| 172 | Q | 81.8 | Confident | 75.1 | Confident | 109 Ų | 109 | 122.4 Ų | 122.4 | 51% | 0.509 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -70.3 | -38.1 | 178.2 | -167.7 | 172.1 | -13.4 | 0 | 0 | 111.6 | F168 S169 A175 G176 | F168-Q172 HydrophobicContact CD1-CG 4.37Å; S169-Q172 WeakPolarHBondContact O-CB 3.36Å; S169-Q172 PolarHBondContact O-N 3.11Å; S169-Q172 WeakPolarHBondContact OG-CB 3.48Å; S169-Q172 PolarHBondContact OG-N 3.2Å; Q172-A175 PolarHBondContact O-N 3.13Å; Q172-G176 PolarHBondContact O-N 3.29Å |
| 173 | L | 84.2 | Confident | 74.8 | Confident | 89 Ų | 89 | 125.1 Ų | 125.1 | 47% | 0.466 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -63.8 | -41.1 | 171.4 | -69 | 173.5 | 0 | 0 | 0 | 111.6 | F168 S169 D170 G176 K177 | F168-L173 HydrophobicContact CB-CD2 3.83Å; F168-L173 HydrophobicContact CB-CG 3.85Å; F168-L173 HydrophobicContact CD2-CD2 4.34Å; F168-L173 HydrophobicContact CG-CD2 4.37Å; S169-L173 PolarHBondContact O-N 3.43Å; D170-L173 PolarHBondContact O-N 3.04Å; L173-G176 PolarHBondContact O-N 3.46Å; L173-K177 PolarHBondContact O-N 3.09Å |
| 174 | K | 83.3 | Confident | 74.4 | Confident | 148 Ų | 148 | 125.6 Ų | 125.6 | 64% | 0.643 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -68.6 | -40.3 | 177 | -168.7 | 177.5 | -176.9 | -179.2 | 0 | 112 | D170 E171 G176 K177 | D170-K174 VanDerWaalsContact O-CB 3.26Å; D170-K174 WeakPolarHBondContact O-CB 3.35Å; D170-K174 PolarHBondContact O-N 3.22Å; E171-K174 PolarHBondContact O-N 3.25Å; K174-G176 VanDerWaalsContact C-N 3.31Å; K174-G176 PolarHBondContact O-N 2.99Å; K174-K177 WeakPolarHBondContact O-CB 3.33Å; K174-K177 PolarHBondContact O-N 3.02Å |
| 175 | A | 81.3 | Confident | 74 | Confident | 55 Ų | 55 | 122.7 Ų | 122.7 | 46% | 0.455 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -63.3 | -37.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | E171 Q172 K177 N178 | E171-A175 VanDerWaalsContact O-CB 3.31Å; E171-A175 WeakPolarHBondContact O-CB 3.47Å; E171-A175 PolarHBondContact O-N 2.91Å; Q172-A175 PolarHBondContact O-N 3.13Å; A175-K177 VanDerWaalsContact C-N 3.26Å; A175-K177 PolarHBondContact O-N 2.78Å; A175-N178 PolarHBondContact O-N 3.36Å; A175-N178 VanDerWaalsContact O-N 3.08Å |
| 176 | G | 78.6 | Confident | 73.3 | Confident | 43 Ų | 43 | 120.4 Ų | 120.4 | 44% | 0.443 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -59.8 | -32 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q172 L173 K174 N178 V179 | Q172-G176 PolarHBondContact O-N 3.29Å; L173-G176 PolarHBondContact O-N 3.46Å; K174-G176 VanDerWaalsContact C-N 3.31Å; K174-G176 PolarHBondContact O-N 2.99Å; G176-N178 PolarHBondContact O-N 2.84Å; G176-V179 PolarHBondContact O-N 3.38Å |
| 177 | K | 76.6 | Confident | 72.6 | Confident | 179 Ų | 179 | 118.6 Ų | 118.6 | 78% | 0.778 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | -21.2 | 176.1 | -65.5 | 176.5 | -177.1 | 176.8 | 0 | 113.5 | L173 K174 A175 | L173-K177 PolarHBondContact O-N 3.09Å; K174-K177 WeakPolarHBondContact O-CB 3.33Å; K174-K177 PolarHBondContact O-N 3.02Å; A175-K177 VanDerWaalsContact C-N 3.26Å; A175-K177 PolarHBondContact O-N 2.78Å |
| 178 | N | 73.1 | Confident | 71.6 | Confident | 129 Ų | 129 | 120.9 Ų | 120.9 | 69% | 0.69 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | -7.7 | 177.8 | -62.8 | -40.2 | 0 | 0 | 0 | 112.7 | A175 G176 I180 | A175-N178 PolarHBondContact O-N 3.36Å; A175-N178 VanDerWaalsContact O-N 3.08Å; G176-N178 PolarHBondContact O-N 2.84Å; N178-I180 PolarHBondContact O-N 3.02Å |
| 179 | V | 70.2 | Confident | 70.4 | Confident | 111 Ų | 111 | 119.4 Ų | 119.4 | 67% | 0.673 | 67% | 0.667 | S | S | * | * | trans | -81.8 | 101 | 175.7 | -177.2 | 0 | 0 | 0 | 0 | 108.5 | G176 G181 | G176-V179 PolarHBondContact O-N 3.38Å; V179-G181 PolarHBondContact O-N 3.18Å; V179-G181 VanDerWaalsContact O-N 3.15Å | ||
| 180 | I | 62.1 | Low | 69.2 | Low | 141 Ų | 141 | 119.9 Ų | 119.9 | 72% | 0.723 | 67% | 0.674 | S | S | * | * | trans | -69.1 | 109.9 | 173.8 | -58.1 | 174.1 | 0 | 0 | 0 | 107.6 | N178 M184 | N178-I180 PolarHBondContact O-N 3.02Å; I180-M184 HydrophobicContact CG2-CB 3.73Å | ||
| 181 | G | 66.3 | Low | 68.2 | Low | 39 Ų | 39 | 116.8 Ų | 116.8 | 40% | 0.402 | 66% | 0.663 | S | S | . | * | trans | -60.3 | 147 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | V179 Q183 M184 | V179-G181 PolarHBondContact O-N 3.18Å; V179-G181 VanDerWaalsContact O-N 3.15Å; G181-Q183 PolarHBondContact O-N 2.85Å; G181-M184 PolarHBondContact O-N 3.1Å | ||
| 182 | L | 63.6 | Low | 66.9 | Low | 190 Ų | 190 | 115.8 Ų | 115.8 | 100% | 0.995 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52 | -14.9 | -179.5 | -84.3 | 154.1 | 0 | 0 | 0 | 115.1 | ||
| 183 | Q | 56.8 | Low | 65.5 | Low | 189 Ų | 189 | 119 Ų | 119 | 88% | 0.883 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.1 | -6.9 | -179.8 | -67.9 | -107.2 | -53.8 | 0 | 0 | 114 | G181 G185 | G181-Q183 PolarHBondContact O-N 2.85Å; Q183-G185 PolarHBondContact O-N 3.08Å; Q183-G185 VanDerWaalsContact O-N 3.08Å |
| 184 | M | 57.4 | Low | 64.4 | Low | 159 Ų | 159 | 118.7 Ų | 118.7 | 78% | 0.783 | 69% | 0.691 | S | S | * | * | trans | -84.4 | 36.3 | 178.3 | -72.2 | -73.7 | -80.4 | 0 | 0 | 111.9 | I180 G181 | I180-M184 HydrophobicContact CG2-CB 3.73Å; G181-M184 PolarHBondContact O-N 3.1Å | ||
| 185 | G | 61.2 | Low | 63.3 | Low | 57 Ų | 57 | 117.5 Ų | 117.5 | 59% | 0.588 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -98 | 129.8 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | Q183 N187 | Q183-G185 PolarHBondContact O-N 3.08Å; Q183-G185 VanDerWaalsContact O-N 3.08Å; G185-N187 PolarHBondContact O-N 3.17Å |
| 186 | S | 57.9 | Low | 62.4 | Low | 94 Ų | 94 | 120.2 Ų | 120.2 | 66% | 0.657 | 71% | 0.705 | S | S | * | * | trans | -67.2 | 115.5 | 172.4 | -179.9 | 0 | 0 | 0 | 0 | 109.7 | K188 | S186-K188 PolarHBondContact O-N 3.33Å; S186-K188 VanDerWaalsContact O-N 3.08Å; S186-K188 WeakPolarHBondContact OG-CB 2.78Å; S186-K188 PolarHBondContact OG-N 2.98Å | ||
| 187 | N | 58.1 | Low | 61.6 | Low | 139 Ų | 139 | 126.4 Ų | 126.4 | 74% | 0.743 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -66.2 | -2.7 | 171.7 | -101.9 | -3.8 | 0 | 0 | 0 | 113.3 | G185 G189 A190 | G185-N187 PolarHBondContact O-N 3.17Å; N187-G189 PolarHBondContact O-N 3.31Å; N187-A190 PolarHBondContact O-N 2.85Å; N187-A190 VanDerWaalsContact O-N 3.14Å |
| 188 | K | 57.6 | Low | 61.1 | Low | 204 Ų | 204 | 120.7 Ų | 120.7 | 89% | 0.887 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -64.9 | -8.1 | -178.2 | -69.9 | -174.7 | 171.6 | -177.8 | 0 | 114.7 | S186 | S186-K188 PolarHBondContact O-N 3.33Å; S186-K188 VanDerWaalsContact O-N 3.08Å; S186-K188 WeakPolarHBondContact OG-CB 2.78Å; S186-K188 PolarHBondContact OG-N 2.98Å |
| 189 | G | 57.8 | Low | 60.8 | Low | 76 Ų | 76 | 126.1 Ų | 126.1 | 78% | 0.784 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -117.7 | -5.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115 | N187 S191 | N187-G189 PolarHBondContact O-N 3.31Å; G189-S191 PolarHBondContact O-N 3.21Å |
| 190 | A | 58.2 | Low | 60.6 | Low | 68 Ų | 68 | 126.4 Ų | 126.4 | 56% | 0.562 | 72% | 0.723 | S | S | * | * | trans | -95.2 | 73.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | N187 | N187-A190 PolarHBondContact O-N 2.85Å; N187-A190 VanDerWaalsContact O-N 3.14Å | ||
| 191 | S | 62.8 | Low | 60.8 | Low | 74 Ų | 74 | 131.1 Ų | 131.1 | 52% | 0.517 | 73% | 0.732 | S | S | . | * | trans | -71.8 | 134.6 | 167.7 | 128.4 | 0 | 0 | 0 | 0 | 108.4 | G189 E193 | G189-S191 PolarHBondContact O-N 3.21Å; S191-E193 PolarHBondContact O-N 3.18Å; S191-E193 WeakPolarHBondContact OG-CB 3.11Å; S191-E193 VanDerWaalsContact OG-CG 3.25Å; S191-E193 WeakPolarHBondContact OG-CG 3.33Å; S191-E193 PolarHBondContact OG-N 2.95Å; S191-E193 VanDerWaalsContact OG-N 3.11Å; S191-E193 PolarHBondContact OG-OE2 3.31Å | ||
| 192 | Q | 56.1 | Low | 60.8 | Low | 138 Ų | 138 | 138.5 Ų | 138.5 | 65% | 0.645 | 76% | 0.756 | S | S | * | * | trans | -76.5 | 13.7 | 174.8 | -160.1 | 179.7 | 24.2 | 0 | 0 | 111.5 | G194 M195 | Q192-G194 PolarHBondContact O-N 3.29Å; Q192-M195 HydrophobicContact CG-CB 4.1Å; Q192-M195 HydrophobicContact CG-SD 4.29Å; Q192-M195 PolarHBondContact O-N 3.39Å | ||
| 193 | E | 52.7 | Low | 60.8 | Low | 178 Ų | 178 | 137 Ų | 137 | 83% | 0.832 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | 115 | 176.3 | -66.5 | 176.2 | 117 | 0 | 0 | 109.4 | S191 | S191-E193 PolarHBondContact O-N 3.18Å; S191-E193 WeakPolarHBondContact OG-CB 3.11Å; S191-E193 VanDerWaalsContact OG-CG 3.25Å; S191-E193 WeakPolarHBondContact OG-CG 3.33Å; S191-E193 PolarHBondContact OG-N 2.95Å; S191-E193 VanDerWaalsContact OG-N 3.11Å; S191-E193 PolarHBondContact OG-OE2 3.31Å |
| 194 | G | 61.4 | Low | 60.5 | Low | 81 Ų | 81 | 139.4 Ų | 139.4 | 84% | 0.835 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 104.3 | -6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q192 S196 | Q192-G194 PolarHBondContact O-N 3.29Å; G194-S196 PolarHBondContact O-N 3.5Å |
| 195 | M | 60.3 | Low | 60.6 | Low | 123 Ų | 123 | 138.5 Ų | 138.5 | 61% | 0.606 | 76% | 0.764 | S | S | * | * | trans | -77.9 | 87.7 | 170.8 | -78 | -170.9 | 157.8 | 0 | 0 | 111 | Q192 Y197 | Q192-M195 HydrophobicContact CG-CB 4.1Å; Q192-M195 HydrophobicContact CG-SD 4.29Å; Q192-M195 PolarHBondContact O-N 3.39Å; M195-Y197 HydrophobicContact CB-CD2 4.35Å; M195-Y197 HydrophobicContact CB-CE2 3.81Å; M195-Y197 PolarHBondContact O-N 3.37Å; M195-Y197 HydrophobicContact SD-CE2 4.25Å; M195-Y197 PolarHBondContact SD-OH 3.08Å; M195-Y197 VanDerWaalsContact SD-OH 3.41Å | ||
| 196 | S | 62.2 | Low | 60.6 | Low | 112 Ų | 112 | 142.7 Ų | 142.7 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | trans | -81.1 | 100.2 | 169.1 | -173 | 0 | 0 | 0 | 0 | 109.9 | G194 G198 | G194-S196 PolarHBondContact O-N 3.5Å; S196-G198 PolarHBondContact O-N 3.27Å | ||
| 197 | Y | 60.4 | Low | 60.8 | Low | 173 Ų | 173 | 145.4 Ų | 145.4 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | trans | -75.4 | 91.1 | 174.5 | -73.4 | -84.6 | 0 | 0 | 0 | 110.6 | M195 | M195-Y197 HydrophobicContact CB-CD2 4.35Å; M195-Y197 HydrophobicContact CB-CE2 3.81Å; M195-Y197 PolarHBondContact O-N 3.37Å; M195-Y197 HydrophobicContact SD-CE2 4.25Å; M195-Y197 PolarHBondContact SD-OH 3.08Å; M195-Y197 VanDerWaalsContact SD-OH 3.41Å | ||
| 198 | G | 66.9 | Low | 60.9 | Low | 59 Ų | 59 | 145.8 Ų | 145.8 | 61% | 0.608 | 78% | 0.782 | S | S | * | * | trans | 71.6 | 123.8 | 160.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | S196 | S196-G198 PolarHBondContact O-N 3.27Š| ||
| 199 | R | 67.4 | Low | 61.1 | Low | 244 Ų | 244 | 142.2 Ų | 142.2 | 92% | 0.921 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -67 | 131.2 | 164.7 | -79.9 | -174.8 | 173.2 | -163.5 | -1.5 | 109.1 | R201 | R199-R201 PolarHBondContact O-N 3.43Š|
| 200 | P | 65.3 | Low | 61.3 | Low | 117 Ų | 117 | 146.6 Ų | 146.6 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 136.1 | 173.1 | 23.7 | -30.4 | 0 | 0 | 0 | 109.6 | Q202 | P200-Q202 PolarHBondContact O-N 3.46Š|
| 201 | R | 65.8 | Low | 61.6 | Low | 240 Ų | 240 | 152.2 Ų | 152.2 | 91% | 0.906 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 120.4 | 179.4 | -72.7 | -173.6 | -179.5 | -177.1 | 0.9 | 109.4 | R199 I203 | R199-R201 PolarHBondContact O-N 3.43Å; R201-I203 PolarHBondContact O-N 2.77Å |
| 202 | Q | 66.4 | Low | 61.5 | Low | 193 Ų | 193 | 158.2 Ų | 158.2 | 90% | 0.902 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 119.8 | 168 | -72.2 | -176 | -38.1 | 0 | 0 | 108.6 | P200 | P200-Q202 PolarHBondContact O-N 3.46Š|
| 203 | I | 64.1 | Low | 61.9 | Low | 158 Ų | 158 | 159.9 Ų | 159.9 | 81% | 0.81 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -102.1 | 124.2 | 171.1 | -51.6 | -172.5 | 0 | 0 | 0 | 106.1 | R201 | R201-I203 PolarHBondContact O-N 2.77Š|
| 204 | L | 49.9 | Very low | 62.8 | Low | 241 Ų | 241 | 158.3 Ų | 158.3 | 100% | 1.262 | 83% | 0.825 | S | S | * | * | trans | -78.4 | 0 | 170.9 | -101.9 | 105.1 | 0 | 0 | 0 | 110.6 |
Retrieved 204 of 204 residues in 56.2 ms
(Link to these results)