| 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 | 68.8 | Low | 71.9 | Confident | 215 Ų | 215 | 159.6 Ų | 159.6 | 100% | 1.059 | 80% | 0.802 | S | S | * | * | 0 | 104.7 | 0 | -66.1 | 178.6 | 176 | 0 | 0 | 107.1 | |||||
| 2 | S | 71.8 | Confident | 72.3 | Confident | 119 Ų | 119 | 163.5 Ų | 163.5 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | trans | -91.1 | 117.2 | -175.8 | 23.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 3 | Y | 75.8 | Confident | 73.1 | Confident | 211 Ų | 211 | 164.5 Ų | 164.5 | 83% | 0.827 | 80% | 0.802 | S | S | * | * | trans | -87.6 | 108.7 | 174.3 | -58 | -82.9 | 0 | 0 | 0 | 108.9 | Y5 | Y3-Y5 PolarHBondContact O-N 3.47Š| ||
| 4 | T | 75.4 | Confident | 73.8 | Confident | 136 Ų | 136 | 160.5 Ų | 160.5 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | trans | -80.6 | 105.9 | 168.2 | 52.1 | 0 | 0 | 0 | 0 | 108.6 | R6 | T4-R6 PolarHBondContact O-N 3.08Å; T4-R6 VanDerWaalsContact O-N 3.08Å | ||
| 5 | Y | 74.1 | Confident | 74.5 | Confident | 198 Ų | 198 | 155.9 Ų | 155.9 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | trans | -69 | 100.9 | 173.4 | -174.6 | -113.9 | 0 | 0 | 0 | 109.1 | Y3 Q7 | Y3-Y5 PolarHBondContact O-N 3.47Å; Y5-Q7 HydrophobicContact CD1-CG 3.42Å; Y5-Q7 VanDerWaalsContact CD1-CG 3.42Å; Y5-Q7 HydrophobicContact CE1-CG 3.28Å; Y5-Q7 PolarHBondContact O-N 2.97Å; Y5-Q7 VanDerWaalsContact O-N 3.09Å | ||
| 6 | R | 72.9 | Confident | 74.9 | Confident | 233 Ų | 233 | 157.6 Ų | 157.6 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | trans | -76 | 94.6 | 174.1 | -165.5 | -175.8 | -134.4 | -157.6 | 4.3 | 107.6 | T4 S8 | T4-R6 PolarHBondContact O-N 3.08Å; T4-R6 VanDerWaalsContact O-N 3.08Å; R6-S8 VanDerWaalsContact C-N 3.26Å; R6-S8 PolarHBondContact O-N 3.05Å | ||
| 7 | Q | 70.3 | Confident | 75.1 | Confident | 156 Ų | 156 | 154.8 Ų | 154.8 | 73% | 0.729 | 77% | 0.774 | S | S | * | * | trans | -66.4 | 92.6 | 165.9 | -70.8 | -179.3 | -1.3 | 0 | 0 | 107.3 | Y5 A9 | Y5-Q7 HydrophobicContact CD1-CG 3.42Å; Y5-Q7 VanDerWaalsContact CD1-CG 3.42Å; Y5-Q7 HydrophobicContact CE1-CG 3.28Å; Y5-Q7 PolarHBondContact O-N 2.97Å; Y5-Q7 VanDerWaalsContact O-N 3.09Å; Q7-A9 PolarHBondContact O-N 3.28Å; Q7-A9 VanDerWaalsContact O-N 3.14Å | ||
| 8 | S | 67 | Low | 75.3 | Confident | 94 Ų | 94 | 148.3 Ų | 148.3 | 66% | 0.657 | 75% | 0.753 | S | S | * | * | trans | -57.6 | 117.8 | 157.6 | 49.3 | 0 | 0 | 0 | 0 | 105.7 | R6 I10 | R6-S8 VanDerWaalsContact C-N 3.26Å; R6-S8 PolarHBondContact O-N 3.05Å; S8-I10 PolarHBondContact O-N 3.29Å | ||
| 9 | A | 70.3 | Confident | 75.7 | Confident | 92 Ų | 92 | 146.3 Ų | 146.3 | 76% | 0.76 | 75% | 0.754 | S | S | * | * | trans | -53.7 | 110.7 | 166.2 | 0 | 0 | 0 | 0 | 0 | 105.5 | Q7 E11 | Q7-A9 PolarHBondContact O-N 3.28Å; Q7-A9 VanDerWaalsContact O-N 3.14Å; A9-E11 PolarHBondContact O-N 3.21Å | ||
| 10 | I | 72.9 | Confident | 76 | Confident | 121 Ų | 121 | 143.3 Ų | 143.3 | 62% | 0.621 | 74% | 0.735 | S | S | * | * | trans | -60.8 | 104 | 165.3 | -63.3 | 172.8 | 0 | 0 | 0 | 102.7 | S8 R12 | S8-I10 PolarHBondContact O-N 3.29Å; I10-R12 HydrophobicContact CB-CG 4.4Å; I10-R12 HydrophobicContact CG2-CG 3.86Å; I10-R12 WeakPolarHBondContact O-CG 3.49Å; I10-R12 PolarHBondContact O-N 2.9Å | ||
| 11 | E | 72.3 | Confident | 76.6 | Confident | 181 Ų | 181 | 139.7 Ų | 139.7 | 85% | 0.846 | 72% | 0.721 | S | S | * | * | trans | -63.9 | 93 | 169.7 | -171.9 | 171.2 | -176.7 | 0 | 0 | 105 | A9 E13 | A9-E11 PolarHBondContact O-N 3.21Å; E11-E13 PolarHBondContact O-N 3.45Å; E11-E13 VanDerWaalsContact O-N 3.17Å | ||
| 12 | R | 76.7 | Confident | 77.6 | Confident | 206 Ų | 206 | 135.4 Ų | 135.4 | 78% | 0.777 | 70% | 0.702 | S | S | * | * | trans | -77.5 | 104.4 | -180 | -65 | -174.1 | -171.4 | 90.9 | -2.2 | 105.6 | I10 | I10-R12 HydrophobicContact CB-CG 4.4Å; I10-R12 HydrophobicContact CG2-CG 3.86Å; I10-R12 WeakPolarHBondContact O-CG 3.49Å; I10-R12 PolarHBondContact O-N 2.9Å | ||
| 13 | E | 82.6 | Confident | 78.5 | Confident | 177 Ų | 177 | 131.8 Ų | 131.8 | 83% | 0.827 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 130.9 | 168.7 | -70.3 | -177.6 | 170 | 0 | 0 | 108.7 | E11 | E11-E13 PolarHBondContact O-N 3.45Å; E11-E13 VanDerWaalsContact O-N 3.17Å |
| 14 | P | 81.9 | Confident | 79.3 | Confident | 108 Ų | 108 | 129.2 Ų | 129.2 | 70% | 0.701 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 149.9 | 177.9 | 26.7 | -33.5 | 0 | 0 | 0 | 110 | L16 | P14-L16 PolarHBondContact O-N 2.9Š|
| 15 | P | 84.2 | Confident | 80.2 | Confident | 92 Ų | 92 | 130 Ų | 130 | 60% | 0.597 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 132 | 174.1 | -23.1 | 32.8 | 0 | 0 | 0 | 111 | K17 G18 | P15-K17 PolarHBondContact O-N 3.44Å; P15-K17 VanDerWaalsContact O-N 3.08Å; P15-G18 PolarHBondContact O-N 3.34Å |
| 16 | L | 80.8 | Confident | 81.2 | Confident | 183 Ų | 183 | 121.7 Ų | 121.7 | 96% | 0.958 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.3 | -32.5 | -174.9 | -137.2 | 91.6 | 0 | 0 | 0 | 113.8 | P14 | P14-L16 PolarHBondContact O-N 2.9Š|
| 17 | K | 78.2 | Confident | 82.3 | Confident | 109 Ų | 109 | 114 Ų | 114 | 47% | 0.474 | 62% | 0.62 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -100 | 9 | -178.4 | -63 | -177.7 | 175.9 | -175 | 0 | 113.2 | P15 F20 E69 | P15-K17 PolarHBondContact O-N 3.44Å; P15-K17 VanDerWaalsContact O-N 3.08Å; K17-F20 HydrophobicContact CB-CZ 4.32Å; K17-F20 HydrophobicContact CD-CZ 4.42Å; K17-E69 VanDerWaalsContact CD-OE1 3.27Å; K17-E69 WeakPolarHBondContact CD-OE1 3.31Å; K17-E69 WeakPolarHBondContact CE-OE1 3.08Å; K17-E69 IonicContact NZ-OE1 2.74Å; K17-E69 PolarHBondContact NZ-OE1 2.04Å; K17-E69 IonicContact NZ-OE2 3.83Å; K17-E69 PolarHBondContact NZ-OE2 3.44Å |
| 18 | G | 79.9 | Confident | 83.6 | Confident | 38 Ų | 38 | 106.5 Ų | 106.5 | 39% | 0.392 | 59% | 0.586 | S | S | . | * | trans | 71.1 | -179.4 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | P15 | P15-G18 PolarHBondContact O-N 3.34Š| ||
| 19 | S | 81.9 | Confident | 85 | Confident | 110 Ų | 110 | 107.6 Ų | 107.6 | 77% | 0.769 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 120.3 | 172.5 | 54.1 | 0 | 0 | 0 | 0 | 109.8 | ||
| 20 | F | 82 | Confident | 86.3 | Confident | 87 Ų | 87 | 109.4 Ų | 109.4 | 38% | 0.382 | 58% | 0.575 | S | S | . | * | P | Polyproline II helix | trans | -62.9 | 132.3 | 174 | -68.1 | -71.4 | 0 | 0 | 0 | 110.6 | K17 M66 | K17-F20 HydrophobicContact CB-CZ 4.32Å; K17-F20 HydrophobicContact CD-CZ 4.42Å; F20-M66 HydrophobicContact CD1-CB 4.29Å; F20-M66 HydrophobicContact CD1-CG 4.1Å; F20-M66 HydrophobicContact CE1-CB 4.32Å; F20-M66 HydrophobicContact CE1-CE 4.45Å; F20-M66 HydrophobicContact CE1-CG 3.66Å; F20-M66 HydrophobicContact CZ-CG 4.5Å |
| 21 | P | 88.5 | Confident | 87.5 | Confident | 68 Ų | 68 | 106.4 Ų | 106.4 | 44% | 0.442 | 56% | 0.558 | S | S | . | * | P | Polyproline II helix | trans | -57.9 | 143.8 | 172.8 | -23.8 | 34 | 0 | 0 | 0 | 111.5 | R60 L65 | P21-R60 PolarHBondContact O-NH2 3.37Å; P21-R60 VanDerWaalsContact O-NH2 3.14Å; P21-L65 HydrophobicContact CB-CD2 4.47Å |
| 22 | L | 89.5 | Confident | 88.7 | Confident | 125 Ų | 125 | 100.6 Ų | 100.6 | 65% | 0.654 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -76 | 138.7 | 172.2 | -63.6 | 179.3 | 0 | 0 | 0 | 109.7 | H24 | L22-H24 VanDerWaalsContact C-N 3.33Å; L22-H24 PolarHBondContact O-N 3.04Å |
| 23 | D | 91.4 | Very high | 89.7 | Confident | 43 Ų | 43 | 94.3 Ų | 94.3 | 23% | 0.23 | 51% | 0.513 | C | S | . | . | trans | -79.8 | 80.9 | 173.6 | -174.3 | 10.4 | 0 | 0 | 0 | 109.7 | G26 V27 C28 L65 | D23-G26 VanDerWaalsContact OD1-CA 3.31Å; D23-G26 WeakPolarHBondContact OD1-CA 3.43Å; D23-G26 PolarHBondContact OD1-N 3.21Å; D23-G26 WeakPolarHBondContact OD2-CA 3.22Å; D23-V27 PolarHBondContact OD1-N 3.16Å; D23-V27 PolarHBondContact OD2-N 3.39Å; D23-C28 PolarHBondContact OD2-N 3.09Å; D23-L65 HydrophobicContact CB-CD1 3.83Å; D23-L65 HydrophobicContact CB-CD2 4.31Å | ||
| 24 | H | 93.2 | Very high | 90.5 | Very high | 156 Ų | 156 | 89.9 Ų | 89.9 | 72% | 0.722 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -71.9 | -38.7 | -178 | -74.2 | -66.5 | 0 | 0 | 0 | 113 | L22 G26 | L22-H24 VanDerWaalsContact C-N 3.33Å; L22-H24 PolarHBondContact O-N 3.04Å; H24-G26 VanDerWaalsContact C-N 3.26Å; H24-G26 PolarHBondContact O-N 3.09Å |
| 25 | D | 94 | Very high | 91.3 | Very high | 153 Ų | 153 | 86.7 Ų | 86.7 | 82% | 0.818 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -82.3 | -8.6 | -177.9 | -60 | -42.4 | 0 | 0 | 0 | 112.3 | V27 | D25-V27 VanDerWaalsContact C-N 3.34Å; D25-V27 HydrophobicContact CB-CG2 3.98Å |
| 26 | G | 95.6 | Very high | 91.9 | Very high | 24 Ų | 24 | 86.2 Ų | 86.2 | 25% | 0.247 | 46% | 0.46 | C | S | . | . | trans | 67.3 | 36.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | D23 H24 C28 K29 | D23-G26 VanDerWaalsContact OD1-CA 3.31Å; D23-G26 WeakPolarHBondContact OD1-CA 3.43Å; D23-G26 PolarHBondContact OD1-N 3.21Å; D23-G26 WeakPolarHBondContact OD2-CA 3.22Å; H24-G26 VanDerWaalsContact C-N 3.26Å; H24-G26 PolarHBondContact O-N 3.09Å; G26-C28 PolarHBondContact O-N 2.98Å; G26-K29 WeakPolarHBondContact O-CB 3.44Å; G26-K29 PolarHBondContact O-N 2.83Å; G26-K29 VanDerWaalsContact O-N 3.08Å | ||
| 27 | V | 96 | Very high | 92.8 | Very high | 70 Ų | 70 | 82.2 Ų | 82.2 | 42% | 0.424 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -38 | -175.1 | -176.3 | 0 | 0 | 0 | 0 | 110.8 | D23 D25 N63 L65 | D23-V27 PolarHBondContact OD1-N 3.16Å; D23-V27 PolarHBondContact OD2-N 3.39Å; D25-V27 VanDerWaalsContact C-N 3.34Å; D25-V27 HydrophobicContact CB-CG2 3.98Å; V27-N63 HydrophobicContact CG1-CB 4.15Å; V27-N63 WeakPolarHBondContact CG1-OD1 3.06Å; V27-L65 HydrophobicContact CB-CD1 4.4Å |
| 28 | C | 96.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 42% | 0.423 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 23.3 | 180 | -60.7 | 0 | 0 | 0 | 0 | 112.9 | D23 G26 L30 Q31 M32 Y56 C59 R60 | D23-C28 PolarHBondContact OD2-N 3.09Å; G26-C28 PolarHBondContact O-N 2.98Å; C28-L30 PolarHBondContact O-N 3.16Å; C28-Q31 PolarHBondContact O-OE1 3.14Å; C28-M32 VanDerWaalsContact O-CB 3.31Å; C28-M32 WeakPolarHBondContact O-CB 3.41Å; C28-M32 PolarHBondContact O-N 3.06Å; C28-Y56 HydrophobicContact CB-CD2 4.14Å; C28-Y56 HydrophobicContact CB-CE2 4.06Å; C28-C59 WeakPolarHBondContact CA-SG 3.31Å; C28-C59 HydrophobicContact CB-CB 3.85Å; C28-C59 WeakPolarHBondContact CB-SG 3.02Å; C28-C59 WeakPolarHBondContact SG-CB 3.49Å; C28-C59 PolarHBondContact SG-O 3.13Å; C28-C59 VanDerWaalsContact SG-O 3.34Å; C28-C59 CovalentContact SG-SG 2.04Å; C28-C59 PolarHBondContact SG-SG 3.49Å; C28-R60 HydrophobicContact CB-CG 4.21Å; C28-R60 PolarHBondContact SG-N 3.12Å; C28-R60 VanDerWaalsContact SG-N 3.44Å |
| 29 | K | 97 | Very high | 94.6 | Very high | 116 Ų | 116 | 77.2 Ų | 77.2 | 50% | 0.504 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65.3 | -36.7 | -174.3 | -176.7 | 174.3 | -179.2 | 178.6 | 0 | 112.9 | G26 M32 L33 | G26-K29 WeakPolarHBondContact O-CB 3.44Å; G26-K29 PolarHBondContact O-N 2.83Å; G26-K29 VanDerWaalsContact O-N 3.08Å; K29-M32 PolarHBondContact O-N 2.82Å; K29-L33 HydrophobicContact CG-CD1 4.03Å; K29-L33 HydrophobicContact CG-CG 4.28Å; K29-L33 WeakPolarHBondContact O-CB 3.22Å; K29-L33 VanDerWaalsContact O-CG 3.22Å; K29-L33 WeakPolarHBondContact O-CG 3.48Å; K29-L33 PolarHBondContact O-N 3.46Å |
| 30 | L | 97.6 | Very high | 95.4 | Very high | 130 Ų | 130 | 78.9 Ų | 78.9 | 68% | 0.681 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -64.2 | -52.9 | -178.8 | -65.2 | 177.9 | 0 | 0 | 0 | 111.1 | C28 M32 L33 D34 | C28-L30 PolarHBondContact O-N 3.16Å; L30-M32 VanDerWaalsContact C-N 3.27Å; L30-M32 PolarHBondContact O-N 3.1Å; L30-L33 PolarHBondContact O-N 3.33Å; L30-L33 VanDerWaalsContact O-N 3.1Å; L30-D34 PolarHBondContact O-N 3.42Å |
| 31 | Q | 98 | Very high | 96.1 | Very high | 58 Ų | 58 | 79.1 Ų | 79.1 | 27% | 0.271 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.4 | -36.9 | 178.1 | -56.6 | 84.9 | -13.5 | 0 | 0 | 111.3 | C28 Y35 Y56 C59 | C28-Q31 PolarHBondContact O-OE1 3.14Å; Q31-Y35 WeakPolarHBondContact O-CB 3.41Å; Q31-Y35 PolarHBondContact O-N 3.02Å; Q31-Y56 HydrophobicContact CB-CD2 4.38Å; Q31-C59 HydrophobicContact CG-CB 4.5Å |
| 32 | M | 97.4 | Very high | 96.6 | Very high | 60 Ų | 60 | 79.2 Ų | 79.2 | 30% | 0.296 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -60.6 | -48.4 | 173.4 | -176 | -92.6 | -84.5 | 0 | 0 | 111.4 | C28 K29 L30 Y35 M36 Y56 | C28-M32 VanDerWaalsContact O-CB 3.31Å; C28-M32 WeakPolarHBondContact O-CB 3.41Å; C28-M32 PolarHBondContact O-N 3.06Å; K29-M32 PolarHBondContact O-N 2.82Å; L30-M32 VanDerWaalsContact C-N 3.27Å; L30-M32 PolarHBondContact O-N 3.1Å; M32-Y35 PolarHBondContact O-N 2.89Å; M32-M36 HydrophobicContact CG-CG 4.38Å; M32-M36 WeakPolarHBondContact O-CB 3.48Å; M32-M36 WeakPolarHBondContact O-CG 3.48Å; M32-M36 PolarHBondContact O-N 3.35Å; M32-M36 HydrophobicContact SD-CG 3.73Å; M32-Y56 HydrophobicContact CB-CD2 3.79Å; M32-Y56 HydrophobicContact CB-CE2 3.57Å; M32-Y56 HydrophobicContact CG-CE2 4.03Å |
| 33 | L | 98.1 | Very high | 96.9 | Very high | 74 Ų | 74 | 76.4 Ų | 76.4 | 39% | 0.387 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.9 | -44.2 | -180 | -73.5 | 173.5 | 0 | 0 | 0 | 111.6 | K29 L30 Y35 M36 L37 | K29-L33 HydrophobicContact CG-CD1 4.03Å; K29-L33 HydrophobicContact CG-CG 4.28Å; K29-L33 WeakPolarHBondContact O-CB 3.22Å; K29-L33 VanDerWaalsContact O-CG 3.22Å; K29-L33 WeakPolarHBondContact O-CG 3.48Å; K29-L33 PolarHBondContact O-N 3.46Å; L30-L33 PolarHBondContact O-N 3.33Å; L30-L33 VanDerWaalsContact O-N 3.1Å; L33-Y35 VanDerWaalsContact C-N 3.32Å; L33-Y35 PolarHBondContact O-N 3.39Å; L33-M36 PolarHBondContact O-N 3.16Å; L33-M36 VanDerWaalsContact O-N 3.16Å; L33-L37 WeakPolarHBondContact O-CB 3.39Å; L33-L37 VanDerWaalsContact O-CG 3.28Å; L33-L37 WeakPolarHBondContact O-CG 2.84Å; L33-L37 PolarHBondContact O-N 3.18Å |
| 34 | D | 98.4 | Very high | 97.1 | Very high | 83 Ų | 83 | 81.1 Ų | 81.1 | 44% | 0.444 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -59.8 | -45.1 | 177.5 | -68.2 | -27.6 | 0 | 0 | 0 | 111.3 | L30 M36 L37 C38 L52 | L30-D34 PolarHBondContact O-N 3.42Å; D34-M36 PolarHBondContact O-N 3.14Å; D34-L37 PolarHBondContact O-N 3.3Å; D34-C38 WeakPolarHBondContact O-CB 3.45Å; D34-C38 PolarHBondContact O-N 3.37Å; D34-L52 HydrophobicContact CB-CD2 4.22Å |
| 35 | Y | 98.4 | Very high | 97.2 | Very high | 41 Ų | 41 | 76.3 Ų | 76.3 | 16% | 0.161 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -61.2 | -44.3 | 174.6 | 176 | -125.8 | 0 | 0 | 0 | 112 | Q31 M32 L33 C38 L39 C49 L52 A53 Y56 | Q31-Y35 WeakPolarHBondContact O-CB 3.41Å; Q31-Y35 PolarHBondContact O-N 3.02Å; M32-Y35 PolarHBondContact O-N 2.89Å; L33-Y35 VanDerWaalsContact C-N 3.32Å; L33-Y35 PolarHBondContact O-N 3.39Å; Y35-C38 WeakPolarHBondContact O-CB 3.28Å; Y35-C38 PolarHBondContact O-N 3.47Å; Y35-L39 HydrophobicContact CD1-CD1 4.29Å; Y35-L39 HydrophobicContact CD2-CG 4.34Å; Y35-L39 HydrophobicContact CE1-CD1 3.71Å; Y35-L39 HydrophobicContact CE1-CG 4.4Å; Y35-L39 HydrophobicContact CE2-CD1 4.06Å; Y35-L39 HydrophobicContact CE2-CD2 3.98Å; Y35-L39 HydrophobicContact CE2-CG 3.86Å; Y35-L39 WeakPolarHBondContact O-CG 3.43Å; Y35-L39 PolarHBondContact O-N 2.93Å; Y35-C49 HydrophobicContact CD2-CB 3.75Å; Y35-C49 HydrophobicContact CE2-CB 3.7Å; Y35-L52 HydrophobicContact CD2-CB 4.28Å; Y35-A53 HydrophobicContact CD2-CB 3.91Å; Y35-A53 HydrophobicContact CE2-CB 3.67Å; Y35-Y56 HydrophobicContact CD1-CD1 4.44Å |
| 36 | M | 97.9 | Very high | 97.1 | Very high | 83 Ų | 83 | 72 Ų | 72 | 41% | 0.409 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -65.8 | -41.1 | 179.1 | -69.9 | -63.7 | 134.6 | 0 | 0 | 112.8 | M32 L33 D34 C38 L39 Q40 | M32-M36 HydrophobicContact CG-CG 4.38Å; M32-M36 WeakPolarHBondContact O-CB 3.48Å; M32-M36 WeakPolarHBondContact O-CG 3.48Å; M32-M36 PolarHBondContact O-N 3.35Å; M32-M36 HydrophobicContact SD-CG 3.73Å; L33-M36 PolarHBondContact O-N 3.16Å; L33-M36 VanDerWaalsContact O-N 3.16Å; D34-M36 PolarHBondContact O-N 3.14Å; M36-C38 VanDerWaalsContact C-N 3.3Å; M36-C38 PolarHBondContact O-N 2.82Å; M36-L39 HydrophobicContact CE-CD1 4.08Å; M36-L39 PolarHBondContact O-N 3.01Å; M36-L39 HydrophobicContact SD-CD1 4.12Å; M36-Q40 WeakPolarHBondContact O-CB 3.42Å; M36-Q40 PolarHBondContact O-N 3.3Å |
| 37 | L | 98.3 | Very high | 97 | Very high | 99 Ų | 99 | 75.3 Ų | 75.3 | 52% | 0.518 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.5 | -38.2 | 175.2 | -71.8 | 171.5 | 0 | 0 | 0 | 111.2 | L33 D34 Q40 S41 | L33-L37 WeakPolarHBondContact O-CB 3.39Å; L33-L37 VanDerWaalsContact O-CG 3.28Å; L33-L37 WeakPolarHBondContact O-CG 2.84Å; L33-L37 PolarHBondContact O-N 3.18Å; D34-L37 PolarHBondContact O-N 3.3Å; L37-Q40 PolarHBondContact O-N 3.43Å; L37-S41 PolarHBondContact O-N 2.9Å; L37-S41 PolarHBondContact O-OG 3.06Å |
| 38 | C | 98.7 | Very high | 97 | Very high | 19 Ų | 19 | 75.4 Ų | 75.4 | 13% | 0.128 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -64.2 | -45.8 | 173 | -178.9 | 0 | 0 | 0 | 0 | 111.8 | D34 Y35 M36 Q40 S41 N42 C49 L52 | D34-C38 WeakPolarHBondContact O-CB 3.45Å; D34-C38 PolarHBondContact O-N 3.37Å; Y35-C38 WeakPolarHBondContact O-CB 3.28Å; Y35-C38 PolarHBondContact O-N 3.47Å; M36-C38 VanDerWaalsContact C-N 3.3Å; M36-C38 PolarHBondContact O-N 2.82Å; C38-Q40 VanDerWaalsContact C-N 3.3Å; C38-Q40 PolarHBondContact O-N 3.39Å; C38-S41 WeakPolarHBondContact CA-OG 3.31Å; C38-S41 PolarHBondContact O-N 3.03Å; C38-S41 PolarHBondContact O-OG 2.97Å; C38-N42 WeakPolarHBondContact O-CB 3.47Å; C38-N42 PolarHBondContact O-N 2.94Å; C38-N42 PolarHBondContact O-ND2 3.4Å; C38-C49 HydrophobicContact CB-CB 3.77Å; C38-C49 WeakPolarHBondContact CB-SG 3.47Å; C38-C49 PolarHBondContact O-SG 2.97Å; C38-C49 WeakPolarHBondContact SG-CA 3.33Å; C38-C49 WeakPolarHBondContact SG-CB 3.38Å; C38-C49 CovalentContact SG-SG 2.03Å; C38-C49 PolarHBondContact SG-SG 3.5Å; C38-L52 HydrophobicContact CB-CD1 3.49Å; C38-L52 VanDerWaalsContact CB-CD1 3.49Å |
| 39 | L | 98.3 | Very high | 97 | Very high | 22 Ų | 22 | 75.4 Ų | 75.4 | 12% | 0.115 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -59.1 | -44.4 | 176.1 | -73.4 | 177.1 | 0 | 0 | 0 | 111.3 | Y35 M36 S41 N42 G43 L44 C49 | Y35-L39 HydrophobicContact CD1-CD1 4.29Å; Y35-L39 HydrophobicContact CD2-CG 4.34Å; Y35-L39 HydrophobicContact CE1-CD1 3.71Å; Y35-L39 HydrophobicContact CE1-CG 4.4Å; Y35-L39 HydrophobicContact CE2-CD1 4.06Å; Y35-L39 HydrophobicContact CE2-CD2 3.98Å; Y35-L39 HydrophobicContact CE2-CG 3.86Å; Y35-L39 WeakPolarHBondContact O-CG 3.43Å; Y35-L39 PolarHBondContact O-N 2.93Å; M36-L39 HydrophobicContact CE-CD1 4.08Å; M36-L39 PolarHBondContact O-N 3.01Å; M36-L39 HydrophobicContact SD-CD1 4.12Å; L39-S41 PolarHBondContact O-N 3.25Å; L39-N42 CarbonylContact O-C 3.58Å; L39-N42 PolarHBondContact O-N 3.45Å; L39-G43 PolarHBondContact O-N 3.3Å; L39-L44 WeakPolarHBondContact O-CA 3.01Å; L39-L44 PolarHBondContact O-N 3.26Å; L39-C49 PolarHBondContact N-SG 3.46Å; L39-C49 VanDerWaalsContact N-SG 3.45Å |
| 40 | Q | 98 | Very high | 97 | Very high | 146 Ų | 146 | 73.6 Ų | 73.6 | 68% | 0.682 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -61.3 | -43.9 | 179.7 | -172.2 | 177.9 | 25.8 | 0 | 0 | 111.9 | M36 L37 C38 N42 | M36-Q40 WeakPolarHBondContact O-CB 3.42Å; M36-Q40 PolarHBondContact O-N 3.3Å; L37-Q40 PolarHBondContact O-N 3.43Å; C38-Q40 VanDerWaalsContact C-N 3.3Å; C38-Q40 PolarHBondContact O-N 3.39Å; Q40-N42 VanDerWaalsContact C-N 3.3Å; Q40-N42 PolarHBondContact O-N 3.47Å |
| 41 | S | 97.8 | Very high | 96.8 | Very high | 92 Ų | 92 | 72.9 Ų | 72.9 | 64% | 0.643 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -71 | -23.3 | 179.5 | 56.4 | 0 | 0 | 0 | 0 | 113.7 | L37 C38 L39 | L37-S41 PolarHBondContact O-N 2.9Å; L37-S41 PolarHBondContact O-OG 3.06Å; C38-S41 WeakPolarHBondContact CA-OG 3.31Å; C38-S41 PolarHBondContact O-N 3.03Å; C38-S41 PolarHBondContact O-OG 2.97Å; L39-S41 PolarHBondContact O-N 3.25Å |
| 42 | N | 97.6 | Very high | 96.8 | Very high | 69 Ų | 69 | 72.4 Ų | 72.4 | 37% | 0.369 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 22.5 | -178.9 | -68.6 | -83.6 | 0 | 0 | 0 | 113.9 | C38 L39 Q40 L44 S45 P48 | C38-N42 WeakPolarHBondContact O-CB 3.47Å; C38-N42 PolarHBondContact O-N 2.94Å; C38-N42 PolarHBondContact O-ND2 3.4Å; L39-N42 CarbonylContact O-C 3.58Å; L39-N42 PolarHBondContact O-N 3.45Å; Q40-N42 VanDerWaalsContact C-N 3.3Å; Q40-N42 PolarHBondContact O-N 3.47Å; N42-L44 VanDerWaalsContact C-N 3.33Å; N42-L44 PolarHBondContact O-N 3.27Å; N42-S45 WeakPolarHBondContact O-CB 3.49Å; N42-S45 PolarHBondContact O-N 3.49Å; N42-S45 VanDerWaalsContact O-N 3.12Å; N42-P48 HydrophobicContact CB-CG 3.57Å; N42-P48 WeakPolarHBondContact OD1-CG 3.45Å |
| 43 | G | 96.4 | Very high | 96.8 | Very high | 67 Ų | 67 | 70.1 Ų | 70.1 | 69% | 0.691 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.4 | 39.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | L39 S45 | L39-G43 PolarHBondContact O-N 3.3Å; G43-S45 PolarHBondContact O-N 3.5Å |
| 44 | L | 95.1 | Very high | 96.7 | Very high | 142 Ų | 142 | 68.9 Ų | 68.9 | 74% | 0.743 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.2 | 13.5 | -176.9 | -50.8 | 176.3 | 0 | 0 | 0 | 114.9 | L39 N42 | L39-L44 WeakPolarHBondContact O-CA 3.01Å; L39-L44 PolarHBondContact O-N 3.26Å; N42-L44 VanDerWaalsContact C-N 3.33Å; N42-L44 PolarHBondContact O-N 3.27Å |
| 45 | S | 95.5 | Very high | 96.7 | Very high | 54 Ų | 54 | 70 Ų | 70 | 38% | 0.378 | 40% | 0.401 | S | S | . | . | trans | -76.7 | 123.6 | 172.3 | -173.6 | 0 | 0 | 0 | 0 | 111 | N42 G43 P48 | N42-S45 WeakPolarHBondContact O-CB 3.49Å; N42-S45 PolarHBondContact O-N 3.49Å; N42-S45 VanDerWaalsContact O-N 3.12Å; G43-S45 PolarHBondContact O-N 3.5Å; S45-P48 WeakPolarHBondContact O-CD 3.28Å | ||
| 46 | S | 92.3 | Very high | 96.6 | Very high | 63 Ų | 63 | 69.9 Ų | 69.9 | 44% | 0.441 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -83.5 | -25 | -178.6 | 59.5 | 0 | 0 | 0 | 0 | 114.1 | C49 H50 | S46-C49 CarbonylContact O-C 3.4Å; S46-C49 WeakPolarHBondContact O-CA 3.49Å; S46-C49 PolarHBondContact O-N 3Å; S46-H50 PolarHBondContact O-N 2.97Å |
| 47 | S | 94.3 | Very high | 96.5 | Very high | 94 Ų | 94 | 67.6 Ų | 67.6 | 66% | 0.657 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -51.2 | -49 | -178.9 | -61.6 | 0 | 0 | 0 | 0 | 114.6 | C49 H50 | S47-C49 PolarHBondContact O-N 3.36Å; S47-H50 WeakPolarHBondContact O-CB 3.1Å; S47-H50 PolarHBondContact O-N 3.36Å |
| 48 | P | 95.6 | Very high | 96.5 | Very high | 71 Ų | 71 | 67.9 Ų | 67.9 | 46% | 0.461 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -68.2 | -20.8 | 177.1 | 26.2 | -33.5 | 0 | 0 | 0 | 113 | N42 S45 | N42-P48 HydrophobicContact CB-CG 3.57Å; N42-P48 WeakPolarHBondContact OD1-CG 3.45Å; S45-P48 WeakPolarHBondContact O-CD 3.28Å |
| 49 | C | 97.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 38% | 0.384 | C | S | . | . | G | 310 helix | trans | -97.5 | 13.3 | -176 | -49.2 | 0 | 0 | 0 | 0 | 113 | Y35 C38 L39 S46 S47 N51 L52 A53 | Y35-C49 HydrophobicContact CD2-CB 3.75Å; Y35-C49 HydrophobicContact CE2-CB 3.7Å; C38-C49 HydrophobicContact CB-CB 3.77Å; C38-C49 WeakPolarHBondContact CB-SG 3.47Å; C38-C49 PolarHBondContact O-SG 2.97Å; C38-C49 WeakPolarHBondContact SG-CA 3.33Å; C38-C49 WeakPolarHBondContact SG-CB 3.38Å; C38-C49 CovalentContact SG-SG 2.03Å; C38-C49 PolarHBondContact SG-SG 3.5Å; L39-C49 PolarHBondContact N-SG 3.46Å; L39-C49 VanDerWaalsContact N-SG 3.45Å; S46-C49 CarbonylContact O-C 3.4Å; S46-C49 WeakPolarHBondContact O-CA 3.49Å; S46-C49 PolarHBondContact O-N 3Å; S47-C49 PolarHBondContact O-N 3.36Å; C49-N51 PolarHBondContact O-N 2.95Å; C49-L52 PolarHBondContact O-N 3.49Å; C49-A53 PolarHBondContact O-N 3.42Å |
| 50 | H | 95.1 | Very high | 96.3 | Very high | 78 Ų | 78 | 68.2 Ų | 68.2 | 36% | 0.361 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -56.6 | -44.2 | -173.2 | -175.4 | -98.4 | 0 | 0 | 0 | 113 | S46 S47 L52 A53 K54 G75 F76 | S46-H50 PolarHBondContact O-N 2.97Å; S47-H50 WeakPolarHBondContact O-CB 3.1Å; S47-H50 PolarHBondContact O-N 3.36Å; H50-L52 PolarHBondContact O-N 3.48Å; H50-A53 PolarHBondContact O-N 3.5Å; H50-K54 PolarHBondContact O-N 2.91Å; H50-G75 PolarHBondContact NE2-O 3.16Å; H50-F76 AromaticContact CD2-CD1 3.88Å; H50-F76 AromaticContact CD2-CE1 3.8Å; H50-F76 AromaticContact CE1-CD1 3.28Å; H50-F76 WeakPolarHBondContact CE1-CD1 3.49Å; H50-F76 AromaticContact CE1-CE1 3.98Å; H50-F76 AromaticContact ND1-CD1 3.84Å; H50-F76 AromaticContact NE2-CD1 3.28Å; H50-F76 VanDerWaalsContact NE2-CD1 3.28Å; H50-F76 WeakPolarHBondContact NE2-CD1 3.22Å; H50-F76 AromaticContact NE2-CE1 3.67Å; H50-F76 VanDerWaalsContact O-CE1 3.31Å; H50-F76 WeakPolarHBondContact O-CE1 3.27Å |
| 51 | N | 95 | Very high | 96.2 | Very high | 115 Ų | 115 | 61.9 Ų | 61.9 | 62% | 0.615 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -64.7 | -41.9 | 178.6 | -65.7 | -26.7 | 0 | 0 | 0 | 112.4 | C49 A53 K54 E55 | C49-N51 PolarHBondContact O-N 2.95Å; N51-A53 VanDerWaalsContact C-N 3.35Å; N51-A53 PolarHBondContact O-N 3.06Å; N51-K54 WeakPolarHBondContact O-CB 3.48Å; N51-K54 PolarHBondContact O-N 3.18Å; N51-E55 PolarHBondContact O-N 2.88Å |
| 52 | L | 97.6 | Very high | 96.1 | Very high | 49 Ų | 49 | 63.2 Ų | 63.2 | 26% | 0.257 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -66.9 | -38.1 | 178.6 | -61 | 173.2 | 0 | 0 | 0 | 111.5 | D34 Y35 C38 C49 H50 K54 E55 Y56 | D34-L52 HydrophobicContact CB-CD2 4.22Å; Y35-L52 HydrophobicContact CD2-CB 4.28Å; C38-L52 HydrophobicContact CB-CD1 3.49Å; C38-L52 VanDerWaalsContact CB-CD1 3.49Å; C49-L52 PolarHBondContact O-N 3.49Å; H50-L52 PolarHBondContact O-N 3.48Å; L52-K54 VanDerWaalsContact C-N 3.33Å; L52-K54 PolarHBondContact O-N 3.17Å; L52-E55 PolarHBondContact O-N 3.46Å; L52-Y56 WeakPolarHBondContact O-CB 3.41Å; L52-Y56 PolarHBondContact O-N 3.01Å |
| 53 | A | 97.1 | Very high | 95.9 | Very high | 12 Ų | 12 | 63.3 Ų | 63.3 | 10% | 0.099 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.7 | -41.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y35 C49 H50 N51 E55 Y56 L57 F76 | Y35-A53 HydrophobicContact CD2-CB 3.91Å; Y35-A53 HydrophobicContact CE2-CB 3.67Å; C49-A53 PolarHBondContact O-N 3.42Å; H50-A53 PolarHBondContact O-N 3.5Å; N51-A53 VanDerWaalsContact C-N 3.35Å; N51-A53 PolarHBondContact O-N 3.06Å; A53-E55 PolarHBondContact O-N 2.83Å; A53-Y56 PolarHBondContact O-N 2.74Å; A53-L57 VanDerWaalsContact O-CG 3.31Å; A53-L57 WeakPolarHBondContact O-CG 2.99Å; A53-L57 PolarHBondContact O-N 3.36Å; A53-F76 HydrophobicContact CB-CE1 4.16Å; A53-F76 HydrophobicContact CB-CZ 4.1Å |
| 54 | K | 96.7 | Very high | 95.7 | Very high | 47 Ų | 47 | 66.2 Ų | 66.2 | 20% | 0.204 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -58.9 | -47.4 | 176.2 | -168.8 | 179 | 176.8 | 173.7 | 0 | 111 | H50 N51 L52 L57 K58 M71 F76 E78 | H50-K54 PolarHBondContact O-N 2.91Å; N51-K54 WeakPolarHBondContact O-CB 3.48Å; N51-K54 PolarHBondContact O-N 3.18Å; L52-K54 VanDerWaalsContact C-N 3.33Å; L52-K54 PolarHBondContact O-N 3.17Å; K54-L57 PolarHBondContact O-N 3.3Å; K54-K58 VanDerWaalsContact O-CB 3.28Å; K54-K58 WeakPolarHBondContact O-CB 3.46Å; K54-K58 PolarHBondContact O-N 3.02Å; K54-M71 HydrophobicContact CG-CE 4.47Å; K54-M71 HydrophobicContact CG-SD 3.92Å; K54-F76 HydrophobicContact CB-CD1 3.53Å; K54-F76 HydrophobicContact CB-CE1 3.68Å; K54-F76 HydrophobicContact CB-CG 4.12Å; K54-F76 HydrophobicContact CB-CZ 4.35Å; K54-F76 HydrophobicContact CD-CB 4.07Å; K54-F76 HydrophobicContact CD-CD1 4.19Å; K54-F76 HydrophobicContact CD-CG 4.27Å; K54-F76 HydrophobicContact CG-CB 4.23Å; K54-F76 HydrophobicContact CG-CD1 3.85Å; K54-F76 HydrophobicContact CG-CE1 4.4Å; K54-F76 HydrophobicContact CG-CG 3.94Å; K54-E78 IonicContact NZ-OE1 2.63Å; K54-E78 PolarHBondContact NZ-OE1 3.14Å |
| 55 | E | 97.2 | Very high | 95.6 | Very high | 106 Ų | 106 | 60.3 Ų | 60.3 | 50% | 0.495 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64.4 | -43.1 | 179.9 | -71.3 | 173.5 | -171.2 | 0 | 0 | 112.4 | N51 L52 A53 K58 C59 | N51-E55 PolarHBondContact O-N 2.88Å; L52-E55 PolarHBondContact O-N 3.46Å; A53-E55 PolarHBondContact O-N 2.83Å; E55-K58 PolarHBondContact O-N 3.32Å; E55-C59 PolarHBondContact O-N 3.08Å |
| 56 | Y | 97.4 | Very high | 95.5 | Very high | 39 Ų | 39 | 59.2 Ų | 59.2 | 15% | 0.153 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.7 | -46.6 | 176.5 | 171.9 | -126.4 | 0 | 0 | 0 | 112.2 | C28 Q31 M32 Y35 L52 A53 C59 R60 | C28-Y56 HydrophobicContact CB-CD2 4.14Å; C28-Y56 HydrophobicContact CB-CE2 4.06Å; Q31-Y56 HydrophobicContact CB-CD2 4.38Å; M32-Y56 HydrophobicContact CB-CD2 3.79Å; M32-Y56 HydrophobicContact CB-CE2 3.57Å; M32-Y56 HydrophobicContact CG-CE2 4.03Å; Y35-Y56 HydrophobicContact CD1-CD1 4.44Å; L52-Y56 WeakPolarHBondContact O-CB 3.41Å; L52-Y56 PolarHBondContact O-N 3.01Å; A53-Y56 PolarHBondContact O-N 2.74Å; Y56-C59 PolarHBondContact O-N 2.63Å; Y56-R60 HydrophobicContact CD2-CG 4.44Å; Y56-R60 HydrophobicContact CE2-CG 3.98Å; Y56-R60 PolarHBondContact O-N 2.81Å; Y56-R60 VanDerWaalsContact O-N 3.16Å; Y56-R60 PolarHBondContact OH-NH1 2.03Å |
| 57 | L | 96.3 | Very high | 95.4 | Very high | 35 Ų | 35 | 61.2 Ų | 61.2 | 18% | 0.183 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.4 | -39.1 | 178.2 | -68.1 | 171 | 0 | 0 | 0 | 111.9 | A53 K54 C59 R60 M61 M66 F76 | A53-L57 VanDerWaalsContact O-CG 3.31Å; A53-L57 WeakPolarHBondContact O-CG 2.99Å; A53-L57 PolarHBondContact O-N 3.36Å; K54-L57 PolarHBondContact O-N 3.3Å; L57-C59 PolarHBondContact O-N 3.43Å; L57-R60 PolarHBondContact O-N 2.85Å; L57-M61 PolarHBondContact O-N 3.31Å; L57-M66 HydrophobicContact CD2-CE 3.6Å; L57-M66 HydrophobicContact CD2-SD 3.83Å; L57-F76 HydrophobicContact CD1-CE2 3.48Å; L57-F76 VanDerWaalsContact CD1-CE2 3.48Å; L57-F76 HydrophobicContact CD1-CZ 3.68Å |
| 58 | K | 96.3 | Very high | 95.2 | Very high | 106 Ų | 106 | 63.9 Ų | 63.9 | 46% | 0.461 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -57.8 | -49.1 | 174.6 | -172.1 | 173.4 | 167.3 | 178.5 | 0 | 111.5 | K54 E55 R60 M61 E62 M71 | K54-K58 VanDerWaalsContact O-CB 3.28Å; K54-K58 WeakPolarHBondContact O-CB 3.46Å; K54-K58 PolarHBondContact O-N 3.02Å; E55-K58 PolarHBondContact O-N 3.32Å; K58-R60 VanDerWaalsContact C-N 3.26Å; K58-R60 PolarHBondContact O-N 2.93Å; K58-M61 PolarHBondContact O-N 2.92Å; K58-M61 VanDerWaalsContact O-N 3.14Å; K58-E62 WeakPolarHBondContact CE-OE1 3.4Å; K58-E62 HydrophobicContact CG-CG 4.43Å; K58-E62 IonicContact NZ-OE1 2.85Å; K58-E62 WeakPolarHBondContact O-CG 3.37Å; K58-E62 PolarHBondContact O-N 3.26Å; K58-M71 HydrophobicContact CB-CE 3.54Å; K58-M71 HydrophobicContact CD-CE 4.34Å; K58-M71 HydrophobicContact CG-CE 3.9Å |
| 59 | C | 97.5 | Very high | 95 | Very high | 8 Ų | 8 | 62.5 Ų | 62.5 | 5% | 0.054 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -56.2 | -42.4 | 176.4 | 177.9 | 0 | 0 | 0 | 0 | 111.6 | C28 Q31 E55 Y56 L57 M61 E62 N63 | C28-C59 WeakPolarHBondContact CA-SG 3.31Å; C28-C59 HydrophobicContact CB-CB 3.85Å; C28-C59 WeakPolarHBondContact CB-SG 3.02Å; C28-C59 WeakPolarHBondContact SG-CB 3.49Å; C28-C59 PolarHBondContact SG-O 3.13Å; C28-C59 VanDerWaalsContact SG-O 3.34Å; C28-C59 CovalentContact SG-SG 2.04Å; C28-C59 PolarHBondContact SG-SG 3.49Å; Q31-C59 HydrophobicContact CG-CB 4.5Å; E55-C59 PolarHBondContact O-N 3.08Å; Y56-C59 PolarHBondContact O-N 2.63Å; L57-C59 PolarHBondContact O-N 3.43Å; C59-M61 PolarHBondContact O-N 3.25Å; C59-E62 PolarHBondContact O-N 3.07Å; C59-N63 WeakPolarHBondContact O-CB 3.31Å; C59-N63 PolarHBondContact O-N 3.44Å; C59-N63 VanDerWaalsContact O-N 3.09Å; C59-N63 PolarHBondContact O-ND2 3.23Å |
| 60 | R | 96.6 | Very high | 94.8 | Very high | 40 Ų | 40 | 66.6 Ų | 66.6 | 15% | 0.151 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.1 | -37.2 | 179.4 | -70.7 | -169.6 | 68.8 | 146.8 | 2.8 | 112.9 | P21 C28 Y56 L57 K58 N64 L65 M66 | P21-R60 PolarHBondContact O-NH2 3.37Å; P21-R60 VanDerWaalsContact O-NH2 3.14Å; C28-R60 HydrophobicContact CB-CG 4.21Å; C28-R60 PolarHBondContact SG-N 3.12Å; C28-R60 VanDerWaalsContact SG-N 3.44Å; Y56-R60 HydrophobicContact CD2-CG 4.44Å; Y56-R60 HydrophobicContact CE2-CG 3.98Å; Y56-R60 PolarHBondContact O-N 2.81Å; Y56-R60 VanDerWaalsContact O-N 3.16Å; Y56-R60 PolarHBondContact OH-NH1 2.03Å; L57-R60 PolarHBondContact O-N 2.85Å; K58-R60 VanDerWaalsContact C-N 3.26Å; K58-R60 PolarHBondContact O-N 2.93Å; R60-N64 PolarHBondContact O-N 3.23Å; R60-L65 HydrophobicContact CB-CB 4.03Å; R60-L65 HydrophobicContact CG-CB 4.24Å; R60-L65 PolarHBondContact NE-O 3.38Å; R60-L65 PolarHBondContact NH2-O 2.95Å; R60-L65 VanDerWaalsContact NH2-O 3.13Å; R60-L65 CarbonylContact O-C 3.55Å; R60-L65 WeakPolarHBondContact O-CA 3.44Å; R60-L65 WeakPolarHBondContact O-CB 3.28Å; R60-L65 PolarHBondContact O-N 3.45Å; R60-M66 HydrophobicContact CB-CB 3.84Å; R60-M66 PolarHBondContact O-N 3.19Å; R60-M66 VanDerWaalsContact O-N 3.12Å |
| 61 | M | 94.8 | Very high | 94.7 | Very high | 13 Ų | 13 | 64.3 Ų | 64.3 | 6% | 0.064 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -67.1 | -46.5 | 175.5 | -70.4 | -175.5 | -76.9 | 0 | 0 | 111.2 | L57 K58 C59 N63 N64 M66 E68 E69 M71 L74 | L57-M61 PolarHBondContact O-N 3.31Å; K58-M61 PolarHBondContact O-N 2.92Å; K58-M61 VanDerWaalsContact O-N 3.14Å; C59-M61 PolarHBondContact O-N 3.25Å; M61-N63 PolarHBondContact O-N 3.34Å; M61-N64 PolarHBondContact O-N 3.45Å; M61-N64 VanDerWaalsContact O-N 3.16Å; M61-M66 HydrophobicContact CG-CB 3.99Å; M61-M66 HydrophobicContact CG-CG 3.95Å; M61-M66 HydrophobicContact CG-SD 4.2Å; M61-E68 HydrophobicContact CB-CG 4.44Å; M61-E69 HydrophobicContact SD-CB 4.38Å; M61-E69 PolarHBondContact SD-N 3.12Å; M61-M71 HydrophobicContact CE-CE 3.18Å; M61-M71 HydrophobicContact CE-SD 3.94Å; M61-L74 HydrophobicContact CE-CD1 3.91Å; M61-L74 HydrophobicContact SD-CD1 4.24Å |
| 62 | E | 95.5 | Very high | 94.6 | Very high | 120 Ų | 120 | 62.5 Ų | 62.5 | 56% | 0.561 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -61.8 | -28.7 | 179.5 | -70.2 | 173.6 | 166.7 | 0 | 0 | 113.4 | K58 C59 | K58-E62 WeakPolarHBondContact CE-OE1 3.4Å; K58-E62 HydrophobicContact CG-CG 4.43Å; K58-E62 IonicContact NZ-OE1 2.85Å; K58-E62 WeakPolarHBondContact O-CG 3.37Å; K58-E62 PolarHBondContact O-N 3.26Å; C59-E62 PolarHBondContact O-N 3.07Å |
| 63 | N | 94.8 | Very high | 94.4 | Very high | 70 Ų | 70 | 68.2 Ų | 68.2 | 37% | 0.374 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | 16.7 | -179.3 | -67.4 | -79.7 | 0 | 0 | 0 | 113.6 | V27 C59 M61 L65 | V27-N63 HydrophobicContact CG1-CB 4.15Å; V27-N63 WeakPolarHBondContact CG1-OD1 3.06Å; C59-N63 WeakPolarHBondContact O-CB 3.31Å; C59-N63 PolarHBondContact O-N 3.44Å; C59-N63 VanDerWaalsContact O-N 3.09Å; C59-N63 PolarHBondContact O-ND2 3.23Å; M61-N63 PolarHBondContact O-N 3.34Å; N63-L65 HydrophobicContact CB-CD1 4.27Å; N63-L65 HydrophobicContact CB-CG 4.31Å; N63-L65 PolarHBondContact O-N 2.82Å; N63-L65 VanDerWaalsContact O-N 3.09Å |
| 64 | N | 92.3 | Very high | 94.1 | Very high | 128 Ų | 128 | 70.1 Ų | 70.1 | 68% | 0.684 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 23.1 | 180 | -55.6 | -77 | 0 | 0 | 0 | 114.4 | R60 M61 M66 | R60-N64 PolarHBondContact O-N 3.23Å; M61-N64 PolarHBondContact O-N 3.45Å; M61-N64 VanDerWaalsContact O-N 3.16Å; N64-M66 VanDerWaalsContact C-N 3.3Å |
| 65 | L | 93.3 | Very high | 93.9 | Very high | 19 Ų | 19 | 70 Ų | 70 | 10% | 0.099 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -88.9 | -3.3 | 173.2 | -62.3 | 171.9 | 0 | 0 | 0 | 112.2 | P21 D23 V27 R60 N63 | P21-L65 HydrophobicContact CB-CD2 4.47Å; D23-L65 HydrophobicContact CB-CD1 3.83Å; D23-L65 HydrophobicContact CB-CD2 4.31Å; V27-L65 HydrophobicContact CB-CD1 4.4Å; R60-L65 HydrophobicContact CB-CB 4.03Å; R60-L65 HydrophobicContact CG-CB 4.24Å; R60-L65 PolarHBondContact NE-O 3.38Å; R60-L65 PolarHBondContact NH2-O 2.95Å; R60-L65 VanDerWaalsContact NH2-O 3.13Å; R60-L65 CarbonylContact O-C 3.55Å; R60-L65 WeakPolarHBondContact O-CA 3.44Å; R60-L65 WeakPolarHBondContact O-CB 3.28Å; R60-L65 PolarHBondContact O-N 3.45Å; N63-L65 HydrophobicContact CB-CD1 4.27Å; N63-L65 HydrophobicContact CB-CG 4.31Å; N63-L65 PolarHBondContact O-N 2.82Å; N63-L65 VanDerWaalsContact O-N 3.09Å |
| 66 | M | 92.2 | Very high | 93.6 | Very high | 30 Ų | 30 | 65.7 Ų | 65.7 | 15% | 0.148 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -153.3 | 145.8 | 177.5 | -177.1 | 168.7 | -72.8 | 0 | 0 | 109.1 | F20 L57 R60 M61 N64 | F20-M66 HydrophobicContact CD1-CB 4.29Å; F20-M66 HydrophobicContact CD1-CG 4.1Å; F20-M66 HydrophobicContact CE1-CB 4.32Å; F20-M66 HydrophobicContact CE1-CE 4.45Å; F20-M66 HydrophobicContact CE1-CG 3.66Å; F20-M66 HydrophobicContact CZ-CG 4.5Å; L57-M66 HydrophobicContact CD2-CE 3.6Å; L57-M66 HydrophobicContact CD2-SD 3.83Å; R60-M66 HydrophobicContact CB-CB 3.84Å; R60-M66 PolarHBondContact O-N 3.19Å; R60-M66 VanDerWaalsContact O-N 3.12Å; M61-M66 HydrophobicContact CG-CB 3.99Å; M61-M66 HydrophobicContact CG-CG 3.95Å; M61-M66 HydrophobicContact CG-SD 4.2Å; N64-M66 VanDerWaalsContact C-N 3.3Å |
| 67 | L | 90.1 | Very high | 93.1 | Very high | 105 Ų | 105 | 71.8 Ų | 71.8 | 55% | 0.55 | 36% | 0.358 | S | S | . | . | trans | -63 | 136.5 | 171.5 | -174.5 | 70.9 | 0 | 0 | 0 | 109.6 | E69 | L67-E69 PolarHBondContact O-N 2.85Š| ||
| 68 | E | 91.3 | Very high | 92.3 | Very high | 150 Ų | 150 | 77 Ų | 77 | 70% | 0.701 | 38% | 0.381 | S | S | * | . | trans | -61.4 | 123.2 | 175.2 | -67.4 | -174.6 | 177.3 | 0 | 0 | 111 | M61 | M61-E68 HydrophobicContact CB-CG 4.44Š| ||
| 69 | E | 90.9 | Very high | 91.1 | Very high | 42 Ų | 42 | 79.4 Ų | 79.4 | 20% | 0.196 | 39% | 0.392 | C | S | . | . | trans | -134.1 | 151 | 176.6 | -74.1 | -174.4 | -140.4 | 0 | 0 | 110.4 | K17 M61 L67 M71 L74 | K17-E69 VanDerWaalsContact CD-OE1 3.27Å; K17-E69 WeakPolarHBondContact CD-OE1 3.31Å; K17-E69 WeakPolarHBondContact CE-OE1 3.08Å; K17-E69 IonicContact NZ-OE1 2.74Å; K17-E69 PolarHBondContact NZ-OE1 2.04Å; K17-E69 IonicContact NZ-OE2 3.83Å; K17-E69 PolarHBondContact NZ-OE2 3.44Å; M61-E69 HydrophobicContact SD-CB 4.38Å; M61-E69 PolarHBondContact SD-N 3.12Å; L67-E69 PolarHBondContact O-N 2.85Å; E69-M71 PolarHBondContact O-N 2.89Å; E69-L74 HydrophobicContact CB-CD1 4.22Å; E69-L74 HydrophobicContact CB-CD2 4.35Å; E69-L74 HydrophobicContact CB-CG 4.15Å | ||
| 70 | D | 93.5 | Very high | 89.4 | Confident | 86 Ų | 86 | 82.5 Ų | 82.5 | 46% | 0.46 | 41% | 0.413 | S | S | . | . | trans | -63.5 | 129.9 | 173.1 | -171.4 | -18.8 | 0 | 0 | 0 | 109.9 | D72 K73 L74 | D70-D72 PolarHBondContact O-N 3.33Å; D70-D72 PolarHBondContact OD1-N 3.41Å; D70-K73 HydrophobicContact CB-CB 4.33Å; D70-K73 HydrophobicContact CB-CD 4.06Å; D70-K73 HydrophobicContact CB-CG 4.02Å; D70-K73 WeakPolarHBondContact O-CA 3.28Å; D70-K73 WeakPolarHBondContact O-CB 3.38Å; D70-K73 PolarHBondContact O-N 3.08Å; D70-L74 PolarHBondContact O-N 3.09Å; D70-L74 VanDerWaalsContact O-N 3.12Å | ||
| 71 | M | 92.5 | Very high | 87.6 | Confident | 31 Ų | 31 | 88.8 Ų | 88.8 | 15% | 0.153 | 44% | 0.442 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -34.8 | 176.9 | -71.4 | -64 | 177.5 | 0 | 0 | 111.7 | K54 K58 M61 E69 K73 L74 G75 F76 | K54-M71 HydrophobicContact CG-CE 4.47Å; K54-M71 HydrophobicContact CG-SD 3.92Å; K58-M71 HydrophobicContact CB-CE 3.54Å; K58-M71 HydrophobicContact CD-CE 4.34Å; K58-M71 HydrophobicContact CG-CE 3.9Å; M61-M71 HydrophobicContact CE-CE 3.18Å; M61-M71 HydrophobicContact CE-SD 3.94Å; E69-M71 PolarHBondContact O-N 2.89Å; M71-K73 VanDerWaalsContact C-N 3.32Å; M71-K73 PolarHBondContact O-N 2.85Å; M71-L74 CarbonylContact O-C 3.58Å; M71-L74 PolarHBondContact O-N 3.17Å; M71-L74 HydrophobicContact SD-CD1 4.4Å; M71-G75 PolarHBondContact O-N 3.29Å; M71-F76 HydrophobicContact CB-CB 4.1Å; M71-F76 WeakPolarHBondContact O-CA 3.42Å; M71-F76 WeakPolarHBondContact O-CB 3.38Å; M71-F76 PolarHBondContact O-N 3.12Å; M71-F76 HydrophobicContact SD-CD2 4.23Å |
| 72 | D | 93.3 | Very high | 85.9 | Confident | 77 Ų | 77 | 94.6 Ų | 94.6 | 41% | 0.412 | 47% | 0.473 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -37 | 176.7 | -73 | -21 | 0 | 0 | 0 | 112 | D70 L74 G75 K77 | D70-D72 PolarHBondContact O-N 3.33Å; D70-D72 PolarHBondContact OD1-N 3.41Å; D72-L74 VanDerWaalsContact C-N 3.33Å; D72-G75 PolarHBondContact O-N 3.4Å; D72-G75 VanDerWaalsContact O-N 3.16Å; D72-K77 WeakPolarHBondContact OD1-CA 3.33Å |
| 73 | K | 91.8 | Very high | 84 | Confident | 168 Ų | 168 | 94.6 Ų | 94.6 | 73% | 0.73 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -30.9 | 176.1 | -68 | 179 | -175.3 | 175.7 | 0 | 112.2 | D70 M71 G75 | D70-K73 HydrophobicContact CB-CB 4.33Å; D70-K73 HydrophobicContact CB-CD 4.06Å; D70-K73 HydrophobicContact CB-CG 4.02Å; D70-K73 WeakPolarHBondContact O-CA 3.28Å; D70-K73 WeakPolarHBondContact O-CB 3.38Å; D70-K73 PolarHBondContact O-N 3.08Å; M71-K73 VanDerWaalsContact C-N 3.32Å; M71-K73 PolarHBondContact O-N 2.85Å; K73-G75 PolarHBondContact O-N 3.41Å |
| 74 | L | 91.3 | Very high | 82.2 | Confident | 53 Ų | 53 | 96.6 Ų | 96.6 | 28% | 0.277 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -2.1 | 172.6 | -65.4 | 176 | 0 | 0 | 0 | 113.2 | M61 E69 D70 M71 D72 F76 | M61-L74 HydrophobicContact CE-CD1 3.91Å; M61-L74 HydrophobicContact SD-CD1 4.24Å; E69-L74 HydrophobicContact CB-CD1 4.22Å; E69-L74 HydrophobicContact CB-CD2 4.35Å; E69-L74 HydrophobicContact CB-CG 4.15Å; D70-L74 PolarHBondContact O-N 3.09Å; D70-L74 VanDerWaalsContact O-N 3.12Å; M71-L74 CarbonylContact O-C 3.58Å; M71-L74 PolarHBondContact O-N 3.17Å; M71-L74 HydrophobicContact SD-CD1 4.4Å; D72-L74 VanDerWaalsContact C-N 3.33Å; L74-F76 HydrophobicContact CB-CD2 3.69Å; L74-F76 HydrophobicContact CB-CE2 3.84Å |
| 75 | G | 92.4 | Very high | 80.4 | Confident | 45 Ų | 45 | 96.9 Ų | 96.9 | 46% | 0.464 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.2 | 11.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | H50 M71 D72 K73 K77 | H50-G75 PolarHBondContact NE2-O 3.16Å; M71-G75 PolarHBondContact O-N 3.29Å; D72-G75 PolarHBondContact O-N 3.4Å; D72-G75 VanDerWaalsContact O-N 3.16Å; K73-G75 PolarHBondContact O-N 3.41Å; G75-K77 PolarHBondContact O-N 2.95Å |
| 76 | F | 91.5 | Very high | 78.5 | Confident | 14 Ų | 14 | 104 Ų | 104 | 6% | 0.061 | 52% | 0.517 | C | S | . | . | trans | -98.2 | 62.5 | 177.5 | -58.6 | -83.4 | 0 | 0 | 0 | 111.7 | H50 A53 K54 L57 M71 L74 E78 | H50-F76 AromaticContact CD2-CD1 3.88Å; H50-F76 AromaticContact CD2-CE1 3.8Å; H50-F76 AromaticContact CE1-CD1 3.28Å; H50-F76 WeakPolarHBondContact CE1-CD1 3.49Å; H50-F76 AromaticContact CE1-CE1 3.98Å; H50-F76 AromaticContact ND1-CD1 3.84Å; H50-F76 AromaticContact NE2-CD1 3.28Å; H50-F76 VanDerWaalsContact NE2-CD1 3.28Å; H50-F76 WeakPolarHBondContact NE2-CD1 3.22Å; H50-F76 AromaticContact NE2-CE1 3.67Å; H50-F76 VanDerWaalsContact O-CE1 3.31Å; H50-F76 WeakPolarHBondContact O-CE1 3.27Å; A53-F76 HydrophobicContact CB-CE1 4.16Å; A53-F76 HydrophobicContact CB-CZ 4.1Å; K54-F76 HydrophobicContact CB-CD1 3.53Å; K54-F76 HydrophobicContact CB-CE1 3.68Å; K54-F76 HydrophobicContact CB-CG 4.12Å; K54-F76 HydrophobicContact CB-CZ 4.35Å; K54-F76 HydrophobicContact CD-CB 4.07Å; K54-F76 HydrophobicContact CD-CD1 4.19Å; K54-F76 HydrophobicContact CD-CG 4.27Å; K54-F76 HydrophobicContact CG-CB 4.23Å; K54-F76 HydrophobicContact CG-CD1 3.85Å; K54-F76 HydrophobicContact CG-CE1 4.4Å; K54-F76 HydrophobicContact CG-CG 3.94Å; L57-F76 HydrophobicContact CD1-CE2 3.48Å; L57-F76 VanDerWaalsContact CD1-CE2 3.48Å; L57-F76 HydrophobicContact CD1-CZ 3.68Å; M71-F76 HydrophobicContact CB-CB 4.1Å; M71-F76 WeakPolarHBondContact O-CA 3.42Å; M71-F76 WeakPolarHBondContact O-CB 3.38Å; M71-F76 PolarHBondContact O-N 3.12Å; M71-F76 HydrophobicContact SD-CD2 4.23Å; L74-F76 HydrophobicContact CB-CD2 3.69Å; L74-F76 HydrophobicContact CB-CE2 3.84Å; F76-E78 PolarHBondContact O-N 3.22Å | ||
| 77 | K | 87.2 | Confident | 76.6 | Confident | 168 Ų | 168 | 111.5 Ų | 111.5 | 73% | 0.73 | 55% | 0.549 | S | S | * | . | trans | -62.2 | 120.3 | 177.2 | -67.5 | -174.4 | -179.6 | -177.5 | 0 | 111.3 | D72 G75 K79 | D72-K77 WeakPolarHBondContact OD1-CA 3.33Å; G75-K77 PolarHBondContact O-N 2.95Å; K77-K79 PolarHBondContact O-N 3.21Å | ||
| 78 | E | 78.3 | Confident | 74.6 | Confident | 144 Ų | 144 | 111 Ų | 111 | 67% | 0.673 | 56% | 0.555 | S | S | * | * | trans | -70.3 | 114.5 | 172.7 | -60.2 | -160.3 | 158.8 | 0 | 0 | 109.3 | K54 F76 S80 | K54-E78 IonicContact NZ-OE1 2.63Å; K54-E78 PolarHBondContact NZ-OE1 3.14Å; F76-E78 PolarHBondContact O-N 3.22Å; E78-S80 PolarHBondContact O-N 3.14Å; E78-S80 VanDerWaalsContact O-N 3.14Å | ||
| 79 | K | 72.3 | Confident | 72.6 | Confident | 157 Ų | 157 | 113.7 Ų | 113.7 | 68% | 0.683 | 59% | 0.585 | S | S | * | * | trans | -66 | 116.3 | 166.9 | -66.5 | -176.6 | -176.8 | 177 | 0 | 106.5 | K77 K81 | K77-K79 PolarHBondContact O-N 3.21Å; K79-K81 PolarHBondContact O-N 3.38Å | ||
| 80 | S | 61.8 | Low | 71.7 | Confident | 72 Ų | 72 | 117.3 Ų | 117.3 | 50% | 0.503 | 61% | 0.605 | S | S | . | * | trans | -51.1 | 136 | 177.5 | 53.6 | 0 | 0 | 0 | 0 | 109.8 | E78 N82 Q83 | E78-S80 PolarHBondContact O-N 3.14Å; E78-S80 VanDerWaalsContact O-N 3.14Å; S80-N82 PolarHBondContact O-N 3.06Å; S80-Q83 PolarHBondContact O-N 2.87Å | ||
| 81 | K | 58.2 | Low | 70.6 | Confident | 173 Ų | 173 | 118.9 Ų | 118.9 | 75% | 0.752 | 61% | 0.612 | S | S | * | * | G | 310 helix | trans | -51.2 | -19.7 | -176.5 | -74.3 | -179.6 | 176.6 | 177.4 | 0 | 114.3 | K79 Q83 L84 | K79-K81 PolarHBondContact O-N 3.38Å; K81-Q83 PolarHBondContact O-N 2.86Å; K81-L84 HydrophobicContact CG-CD1 4.39Å; K81-L84 PolarHBondContact O-N 3.43Å |
| 82 | N | 58.9 | Low | 69.4 | Low | 135 Ų | 135 | 123.8 Ų | 123.8 | 72% | 0.722 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -58.1 | -25.1 | 171.4 | -75.1 | 6.3 | 0 | 0 | 0 | 113.6 | S80 | S80-N82 PolarHBondContact O-N 3.06Š|
| 83 | Q | 56 | Low | 68 | Low | 119 Ų | 119 | 126.6 Ų | 126.6 | 56% | 0.556 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -91.8 | -9 | 176.6 | -62.3 | -178.8 | 34.3 | 0 | 0 | 114.1 | S80 K81 | S80-Q83 PolarHBondContact O-N 2.87Å; K81-Q83 PolarHBondContact O-N 2.86Å |
| 84 | L | 57.5 | Low | 66.5 | Low | 112 Ų | 112 | 124 Ų | 124 | 59% | 0.586 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -23.8 | 177.3 | -79.5 | 157.1 | 0 | 0 | 0 | 112 | K81 E86 | K81-L84 HydrophobicContact CG-CD1 4.39Å; K81-L84 PolarHBondContact O-N 3.43Å; L84-E86 VanDerWaalsContact C-N 3.33Å; L84-E86 PolarHBondContact O-N 3.18Å |
| 85 | N | 54.5 | Low | 64.8 | Low | 134 Ų | 134 | 128.7 Ų | 128.7 | 72% | 0.717 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | -6.2 | -177.8 | -71.9 | -9.7 | 0 | 0 | 0 | 114.9 | ||
| 86 | E | 53.4 | Low | 62.8 | Low | 168 Ų | 168 | 134.7 Ų | 134.7 | 79% | 0.785 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.8 | 7.6 | 178.9 | -70.6 | -176.3 | 103.9 | 0 | 0 | 113.7 | L84 | L84-E86 VanDerWaalsContact C-N 3.33Å; L84-E86 PolarHBondContact O-N 3.18Å |
| 87 | K | 52.5 | Low | 60.6 | Low | 188 Ų | 188 | 144 Ų | 144 | 82% | 0.817 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -125.4 | 35.1 | 176.3 | -62.4 | -164.7 | -179.7 | -168.3 | 0 | 114 | ||
| 88 | S | 46.6 | Very low | 58.4 | Low | 96 Ų | 96 | 142 Ų | 142 | 67% | 0.671 | 73% | 0.734 | S | S | * | * | trans | -107.4 | 123.3 | 160.6 | -57.5 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 89 | P | 51.2 | Low | 56.6 | Low | 206 Ų | 206 | 141.8 Ų | 141.8 | 100% | 1.338 | 74% | 0.739 | S | S | * | * | trans | -54.3 | 0 | -176 | -26 | 34.1 | 0 | 0 | 0 | 115.4 |
Retrieved 89 of 89 residues in 63.9 ms
(Link to these results)