| 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 | 43.8 | Very low | 72.2 | Confident | 208 Ų | 208 | 111.5 Ų | 111.5 | 100% | 1.025 | 56% | 0.558 | S | S | * | * | 0 | 125.4 | 0 | -80.6 | 178.3 | 66.3 | 0 | 0 | 108.7 | L3 | M1-L3 VanDerWaalsContact C-N 3.34Å; M1-L3 HydrophobicContact CE-CD2 4.46Å; M1-L3 PolarHBondContact O-N 3.44Å; M1-L3 VanDerWaalsContact O-N 3.09Å | |||
| 2 | P | 48.8 | Very low | 73.6 | Confident | 127 Ų | 127 | 110.3 Ų | 110.3 | 83% | 0.825 | 55% | 0.549 | S | S | * | . | trans | -81.3 | 90.6 | 170.3 | 32.8 | -25 | 0 | 0 | 0 | 106.8 | V4 | P2-V4 PolarHBondContact O-N 2.62Å; P2-V4 VanDerWaalsContact O-N 3.1Å | ||
| 3 | L | 55.1 | Low | 74.7 | Confident | 109 Ų | 109 | 106 Ų | 106 | 57% | 0.571 | 53% | 0.529 | S | S | * | . | trans | -65 | 110.2 | 162.8 | -71.7 | 162.2 | 0 | 0 | 0 | 105.2 | M1 K5 | M1-L3 VanDerWaalsContact C-N 3.34Å; M1-L3 HydrophobicContact CE-CD2 4.46Å; M1-L3 PolarHBondContact O-N 3.44Å; M1-L3 VanDerWaalsContact O-N 3.09Å; L3-K5 WeakPolarHBondContact O-CG 3.45Å; L3-K5 PolarHBondContact O-N 3.37Å | ||
| 4 | V | 57.8 | Low | 75.3 | Confident | 125 Ų | 125 | 104.2 Ų | 104.2 | 76% | 0.758 | 53% | 0.53 | S | S | * | . | trans | -64.1 | 106.1 | 169.8 | 175.9 | 0 | 0 | 0 | 0 | 105.9 | P2 | P2-V4 PolarHBondContact O-N 2.62Å; P2-V4 VanDerWaalsContact O-N 3.1Å | ||
| 5 | K | 65.2 | Low | 75.8 | Confident | 103 Ų | 103 | 111.1 Ų | 111.1 | 45% | 0.448 | 55% | 0.547 | S | S | . | . | trans | -78.6 | -19.8 | -157.2 | -80.9 | -178.4 | -179.9 | 178.3 | 0 | 114.9 | L3 P118 P120 V121 | L3-K5 WeakPolarHBondContact O-CG 3.45Å; L3-K5 PolarHBondContact O-N 3.37Å; K5-P118 HydrophobicContact CD-CG 4.49Å; K5-P120 WeakPolarHBondContact O-CB 3.47Å; K5-V121 HydrophobicContact CG-CG2 4.41Å | ||
| 6 | R | 80.8 | Confident | 76 | Confident | 43 Ų | 43 | 108.3 Ų | 108.3 | 16% | 0.162 | 56% | 0.555 | C | S | . | * | trans | -135.9 | 110.5 | -165.1 | -70.5 | -176.3 | 138.8 | 96.1 | 12.2 | 111.1 | H47 D50 E54 P120 | R6-H47 WeakPolarHBondContact CD-ND1 3.32Å; R6-H47 WeakPolarHBondContact CG-ND1 3.19Å; R6-H47 PolarHBondContact NE-ND1 3.43Å; R6-D50 IonicContact CZ-OD2 2.95Å; R6-D50 IonicContact NE-OD2 2.89Å; R6-D50 IonicContact NH2-OD2 2.59Å; R6-D50 PolarHBondContact NH2-OD2 3.42Å; R6-E54 IonicContact CZ-OE1 3.08Å; R6-E54 IonicContact NH1-OE1 2.81Å; R6-E54 PolarHBondContact NH1-OE1 2.85Å; R6-E54 VanDerWaalsContact NH1-OE1 3.1Å; R6-E54 IonicContact NH2-OE1 3.05Å; R6-E54 PolarHBondContact NH2-OE1 3.47Å; R6-E54 VanDerWaalsContact NH2-OE1 3.13Å; R6-P120 HydrophobicContact CG-CB 4Å; R6-P120 HydrophobicContact CG-CG 3.76Å | ||
| 7 | N | 85.1 | Confident | 76.3 | Confident | 93 Ų | 93 | 107.9 Ų | 107.9 | 50% | 0.497 | 57% | 0.573 | S | S | . | * | trans | -90.6 | 125.3 | 176.4 | -70.4 | -30 | 0 | 0 | 0 | 109.6 | H47 | N7-H47 PolarHBondContact O-NE2 3Š| ||
| 8 | I | 89.4 | Confident | 76.8 | Confident | 51 Ų | 51 | 105.2 Ų | 105.2 | 26% | 0.262 | 56% | 0.558 | S | S | . | * | trans | -87.3 | 128.4 | 173.6 | -45.3 | -55.7 | 0 | 0 | 0 | 109 | Q40 L44 H47 | I8-Q40 HydrophobicContact CB-CG 4.43Å; I8-Q40 HydrophobicContact CG2-CB 4.44Å; I8-Q40 HydrophobicContact CG2-CG 3.39Å; I8-Q40 VanDerWaalsContact CG2-O 3.29Å; I8-Q40 WeakPolarHBondContact CG2-O 3.22Å; I8-L44 HydrophobicContact CD1-CB 4.39Å; I8-L44 HydrophobicContact CD1-CD1 3.95Å; I8-L44 HydrophobicContact CG2-CB 4.38Å; I8-H47 HydrophobicContact CD1-CB 4.48Å; I8-H47 WeakPolarHBondContact CD1-CD2 3.39Å | ||
| 9 | E | 89.3 | Confident | 77.2 | Confident | 119 Ų | 119 | 104.3 Ų | 104.3 | 56% | 0.556 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -116.3 | 137.8 | -179.3 | -65.1 | -172.2 | 172.2 | 0 | 0 | 111.6 | R39 Q40 S43 | E9-R39 CarbonylContact O-C 3.57Å; E9-Q40 WeakPolarHBondContact O-CA 3.37Å; E9-S43 PolarHBondContact N-OG 2.89Å; E9-S43 WeakPolarHBondContact O-CB 3.45Å |
| 10 | P | 91.3 | Very high | 77.6 | Confident | 37 Ų | 37 | 109.2 Ų | 109.2 | 24% | 0.24 | 58% | 0.578 | C | S | . | * | cis | -76.9 | 146.8 | -1.3 | 30.6 | -34.4 | 0 | 0 | 0 | 113.1 | L13 A36 R39 Q40 | P10-L13 HydrophobicContact CG-CD2 4.32Å; P10-A36 WeakPolarHBondContact CD-O 3.27Å; P10-A36 HydrophobicContact CG-CB 3.92Å; P10-A36 WeakPolarHBondContact CG-O 3.33Å; P10-R39 HydrophobicContact CG-CB 4.42Å; P10-Q40 PolarHBondContact O-NE2 3.12Å | ||
| 11 | R | 87.4 | Confident | 78 | Confident | 211 Ų | 211 | 107.9 Ų | 107.9 | 80% | 0.796 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -76.8 | -31.2 | 177.4 | -169.9 | 174.7 | -176.4 | 173.8 | 2.1 | 113.1 | ||
| 12 | H | 88.9 | Confident | 80.1 | Confident | 98 Ų | 98 | 100.4 Ų | 100.4 | 45% | 0.454 | 55% | 0.554 | S | S | . | * | trans | -116.1 | 128.6 | 179.2 | -54.3 | 105.8 | 0 | 0 | 0 | 109.2 | R15 | H12-R15 HydrophobicContact CB-CB 4.1Å; H12-R15 HydrophobicContact CB-CG 4.07Å; H12-R15 PolarHBondContact NE2-NH1 3.16Å | ||
| 13 | L | 87.7 | Confident | 81.8 | Confident | 54 Ų | 54 | 101.5 Ų | 101.5 | 28% | 0.283 | 56% | 0.559 | S | S | . | * | S | Bend | trans | -92.6 | -29.6 | -175.2 | -56.8 | 175.2 | 0 | 0 | 0 | 112.9 | P10 T33 A36 I37 | P10-L13 HydrophobicContact CG-CD2 4.32Å; L13-T33 HydrophobicContact CB-CG2 4.18Å; L13-A36 HydrophobicContact CB-CB 4.31Å; L13-A36 HydrophobicContact CD2-CB 3.72Å; L13-I37 HydrophobicContact CD1-CD1 4.38Å; L13-I37 HydrophobicContact CD1-CG1 3.71Å; L13-I37 HydrophobicContact CD2-CG1 4.17Å; L13-I37 HydrophobicContact CG-CG1 4.48Å |
| 14 | C | 83.9 | Confident | 83.4 | Confident | 81 Ų | 81 | 98.5 Ų | 98.5 | 55% | 0.547 | 55% | 0.547 | S | S | . | . | S | Bend | trans | -130.5 | 19 | -167.2 | -43.2 | 0 | 0 | 0 | 0 | 114.3 | T33 | C14-T33 WeakPolarHBondContact SG-CG2 3.25Å; C14-T33 PolarHBondContact SG-OG1 2.74Å |
| 15 | R | 81.7 | Confident | 85 | Confident | 207 Ų | 207 | 98.5 Ų | 98.5 | 78% | 0.781 | 54% | 0.539 | S | S | * | . | trans | -94.2 | 9.5 | -173.8 | -73.2 | -167.3 | 176.8 | -176.9 | -5.7 | 115.1 | H12 | H12-R15 HydrophobicContact CB-CB 4.1Å; H12-R15 HydrophobicContact CB-CG 4.07Å; H12-R15 PolarHBondContact NE2-NH1 3.16Å | ||
| 16 | G | 79.4 | Confident | 86.2 | Confident | 66 Ų | 66 | 100 Ų | 100 | 68% | 0.68 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -83.7 | 144.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 17 | A | 82 | Confident | 86.7 | Confident | 103 Ų | 103 | 103.6 Ų | 103.6 | 85% | 0.851 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 141.1 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 18 | L | 84.5 | Confident | 86.9 | Confident | 58 Ų | 58 | 100.7 Ų | 100.7 | 30% | 0.304 | 56% | 0.556 | S | S | . | * | P | Polyproline II helix | trans | -79 | 140.3 | 176.2 | -70.6 | 177.1 | 0 | 0 | 0 | 110.4 | I22 E25 C28 V29 | L18-I22 HydrophobicContact CB-CD1 4.13Å; L18-I22 HydrophobicContact CD2-CD1 4.44Å; L18-E25 HydrophobicContact CD1-CB 3.71Å; L18-E25 HydrophobicContact CD1-CG 3.95Å; L18-C28 HydrophobicContact CD2-CB 4.18Å; L18-V29 HydrophobicContact CD1-CG2 3.79Å; L18-V29 HydrophobicContact CD2-CG2 3.72Å; L18-V29 HydrophobicContact CG-CG2 4.1Å |
| 19 | P | 85.1 | Confident | 87 | Confident | 89 Ų | 89 | 100.9 Ų | 100.9 | 58% | 0.578 | 56% | 0.56 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 143.9 | 169.2 | -23.2 | 26.7 | 0 | 0 | 0 | 112.8 | I22 | P19-I22 HydrophobicContact CB-CD1 3.83Å; P19-I22 HydrophobicContact CB-CG1 4.26Å; P19-I22 HydrophobicContact CG-CD1 3.93Å; P19-I22 WeakPolarHBondContact O-CD1 3.28Å; P19-I22 VanDerWaalsContact O-CG1 3.3Å; P19-I22 WeakPolarHBondContact O-CG1 3.48Å |
| 20 | E | 85.7 | Confident | 87.2 | Confident | 201 Ų | 201 | 98.4 Ų | 98.4 | 94% | 0.939 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | 140.9 | 176.1 | -65.3 | -179.3 | -176.4 | 0 | 0 | 111.1 | ||
| 21 | G | 85.5 | Confident | 87.3 | Confident | 82 Ų | 82 | 101.1 Ų | 101.1 | 85% | 0.845 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 90.7 | 14.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 22 | I | 86.5 | Confident | 87.5 | Confident | 51 Ų | 51 | 94 Ų | 94 | 26% | 0.262 | 55% | 0.548 | S | S | . | . | trans | -79.7 | 132.3 | 177.1 | -57.1 | 164.8 | 0 | 0 | 0 | 110.4 | L18 P19 C28 | L18-I22 HydrophobicContact CB-CD1 4.13Å; L18-I22 HydrophobicContact CD2-CD1 4.44Å; P19-I22 HydrophobicContact CB-CD1 3.83Å; P19-I22 HydrophobicContact CB-CG1 4.26Å; P19-I22 HydrophobicContact CG-CD1 3.93Å; P19-I22 WeakPolarHBondContact O-CD1 3.28Å; P19-I22 VanDerWaalsContact O-CG1 3.3Å; P19-I22 WeakPolarHBondContact O-CG1 3.48Å; I22-C28 HydrophobicContact CD1-CB 4.24Å; I22-C28 HydrophobicContact CG2-CB 4.11Å | ||
| 23 | T | 84.6 | Confident | 87.7 | Confident | 151 Ų | 151 | 90.6 Ų | 90.6 | 93% | 0.926 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -79.9 | -32.5 | 178.4 | 54 | 0 | 0 | 0 | 0 | 113.3 | ||
| 24 | S | 89.3 | Confident | 88.1 | Confident | 45 Ų | 45 | 92.4 Ų | 92.4 | 32% | 0.315 | 54% | 0.543 | S | S | . | . | trans | -123.5 | 80.3 | -178.7 | -172.9 | 0 | 0 | 0 | 0 | 110.6 | L26 E27 C28 | S24-L26 VanDerWaalsContact C-N 3.33Å; S24-L26 PolarHBondContact O-N 3.11Å; S24-E27 PolarHBondContact O-N 3.41Å; S24-E27 WeakPolarHBondContact OG-CB 3.44Å; S24-E27 PolarHBondContact OG-OE2 3.19Å; S24-C28 PolarHBondContact O-N 3.22Å; S24-C28 VanDerWaalsContact O-N 3.13Å | ||
| 25 | E | 91 | Very high | 88.6 | Confident | 125 Ų | 125 | 90.5 Ų | 90.5 | 58% | 0.584 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -59.5 | -42.3 | -177.8 | -68.9 | -174.4 | 178.2 | 0 | 0 | 112.5 | L18 E27 C28 V29 | L18-E25 HydrophobicContact CD1-CB 3.71Å; L18-E25 HydrophobicContact CD1-CG 3.95Å; E25-E27 PolarHBondContact O-N 3.17Å; E25-C28 WeakPolarHBondContact O-CB 3.49Å; E25-C28 PolarHBondContact O-N 3.49Å; E25-V29 WeakPolarHBondContact O-CG2 3.5Å; E25-V29 PolarHBondContact O-N 3.22Å |
| 26 | L | 91.1 | Very high | 89.3 | Confident | 136 Ų | 136 | 81.1 Ų | 81.1 | 71% | 0.712 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.1 | -41 | -178.7 | -178.3 | 62.2 | 0 | 0 | 0 | 112.1 | S24 C28 V29 T30 | S24-L26 VanDerWaalsContact C-N 3.33Å; S24-L26 PolarHBondContact O-N 3.11Å; L26-C28 VanDerWaalsContact C-N 3.35Å; L26-V29 PolarHBondContact O-N 3.42Å; L26-T30 WeakPolarHBondContact O-CB 3.37Å; L26-T30 PolarHBondContact O-N 3.35Å; L26-T30 PolarHBondContact O-OG1 2.95Å |
| 27 | E | 91.3 | Very high | 90.1 | Very high | 117 Ų | 117 | 80.7 Ų | 80.7 | 55% | 0.547 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.2 | -40.1 | 176.5 | -173.4 | -178.8 | 174.8 | 0 | 0 | 110.9 | S24 E25 T30 N31 | S24-E27 PolarHBondContact O-N 3.41Å; S24-E27 WeakPolarHBondContact OG-CB 3.44Å; S24-E27 PolarHBondContact OG-OE2 3.19Å; E25-E27 PolarHBondContact O-N 3.17Å; E27-T30 PolarHBondContact O-N 2.94Å; E27-N31 WeakPolarHBondContact O-CB 2.95Å; E27-N31 PolarHBondContact O-N 2.84Å |
| 28 | C | 89.8 | Confident | 90.8 | Very high | 33 Ų | 33 | 81.3 Ų | 81.3 | 22% | 0.223 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -62 | -46.4 | 175.3 | -173.5 | 0 | 0 | 0 | 0 | 112.2 | L18 I22 S24 E25 L26 T30 S32 | L18-C28 HydrophobicContact CD2-CB 4.18Å; I22-C28 HydrophobicContact CD1-CB 4.24Å; I22-C28 HydrophobicContact CG2-CB 4.11Å; S24-C28 PolarHBondContact O-N 3.22Å; S24-C28 VanDerWaalsContact O-N 3.13Å; E25-C28 WeakPolarHBondContact O-CB 3.49Å; E25-C28 PolarHBondContact O-N 3.49Å; L26-C28 VanDerWaalsContact C-N 3.35Å; C28-T30 VanDerWaalsContact C-N 3.34Å; C28-T30 PolarHBondContact O-N 3.29Å; C28-S32 VanDerWaalsContact O-CB 3.25Å; C28-S32 WeakPolarHBondContact O-CB 3.45Å; C28-S32 PolarHBondContact O-N 3.24Å; C28-S32 PolarHBondContact O-OG 3.12Å |
| 29 | V | 92.1 | Very high | 91.3 | Very high | 54 Ų | 54 | 86.9 Ų | 86.9 | 33% | 0.327 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.7 | -45 | 174.4 | 175.1 | 0 | 0 | 0 | 0 | 110.7 | L18 E25 L26 S32 T33 | L18-V29 HydrophobicContact CD1-CG2 3.79Å; L18-V29 HydrophobicContact CD2-CG2 3.72Å; L18-V29 HydrophobicContact CG-CG2 4.1Å; E25-V29 WeakPolarHBondContact O-CG2 3.5Å; E25-V29 PolarHBondContact O-N 3.22Å; L26-V29 PolarHBondContact O-N 3.42Å; V29-S32 PolarHBondContact O-N 3.49Å; V29-T33 VanDerWaalsContact O-CB 3.24Å; V29-T33 WeakPolarHBondContact O-CB 3.43Å; V29-T33 PolarHBondContact O-N 2.84Å; V29-T33 PolarHBondContact O-OG1 2.79Å |
| 30 | T | 92.5 | Very high | 91.8 | Very high | 67 Ų | 67 | 85.5 Ų | 85.5 | 41% | 0.411 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.1 | -49 | -178.9 | -55.3 | 0 | 0 | 0 | 0 | 111.1 | L26 E27 C28 S32 T33 L34 | L26-T30 WeakPolarHBondContact O-CB 3.37Å; L26-T30 PolarHBondContact O-N 3.35Å; L26-T30 PolarHBondContact O-OG1 2.95Å; E27-T30 PolarHBondContact O-N 2.94Å; C28-T30 VanDerWaalsContact C-N 3.34Å; C28-T30 PolarHBondContact O-N 3.29Å; T30-S32 PolarHBondContact O-N 3.42Å; T30-T33 WeakPolarHBondContact O-CB 3.4Å; T30-T33 PolarHBondContact O-N 3.3Å; T30-L34 HydrophobicContact CG2-CD1 4.35Å; T30-L34 WeakPolarHBondContact O-CG 3.45Å; T30-L34 PolarHBondContact O-N 3.37Å |
| 31 | N | 92.6 | Very high | 92.4 | Very high | 94 Ų | 94 | 80.4 Ų | 80.4 | 50% | 0.503 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.7 | -40.5 | 177.9 | -77.6 | -11.7 | 0 | 0 | 0 | 112.5 | E27 T33 L34 A35 | E27-N31 WeakPolarHBondContact O-CB 2.95Å; E27-N31 PolarHBondContact O-N 2.84Å; N31-T33 VanDerWaalsContact C-N 3.3Å; N31-T33 PolarHBondContact O-N 3.42Å; N31-L34 PolarHBondContact O-N 3.01Å; N31-A35 WeakPolarHBondContact O-CB 3.32Å; N31-A35 PolarHBondContact O-N 3.21Å |
| 32 | S | 91.9 | Very high | 92.9 | Very high | 62 Ų | 62 | 80.3 Ų | 80.3 | 43% | 0.434 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.1 | -39.2 | 175.5 | -61.5 | 0 | 0 | 0 | 0 | 111.7 | C28 V29 T30 A35 A36 | C28-S32 VanDerWaalsContact O-CB 3.25Å; C28-S32 WeakPolarHBondContact O-CB 3.45Å; C28-S32 PolarHBondContact O-N 3.24Å; C28-S32 PolarHBondContact O-OG 3.12Å; V29-S32 PolarHBondContact O-N 3.49Å; T30-S32 PolarHBondContact O-N 3.42Å; S32-A35 PolarHBondContact O-N 3.22Å; S32-A36 WeakPolarHBondContact O-CB 3.37Å; S32-A36 PolarHBondContact O-N 3.29Å |
| 33 | T | 94.3 | Very high | 93.3 | Very high | 26 Ų | 26 | 78.9 Ų | 78.9 | 16% | 0.16 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -66.5 | -45.3 | 177.1 | -60.8 | 0 | 0 | 0 | 0 | 110.9 | L13 C14 V29 T30 N31 A36 I37 | L13-T33 HydrophobicContact CB-CG2 4.18Å; C14-T33 WeakPolarHBondContact SG-CG2 3.25Å; C14-T33 PolarHBondContact SG-OG1 2.74Å; V29-T33 VanDerWaalsContact O-CB 3.24Å; V29-T33 WeakPolarHBondContact O-CB 3.43Å; V29-T33 PolarHBondContact O-N 2.84Å; V29-T33 PolarHBondContact O-OG1 2.79Å; T30-T33 WeakPolarHBondContact O-CB 3.4Å; T30-T33 PolarHBondContact O-N 3.3Å; N31-T33 VanDerWaalsContact C-N 3.3Å; N31-T33 PolarHBondContact O-N 3.42Å; T33-A36 WeakPolarHBondContact O-CB 3.32Å; T33-A36 PolarHBondContact O-N 3.28Å; T33-I37 HydrophobicContact CG2-CD1 4.13Å; T33-I37 VanDerWaalsContact O-CG1 3.32Å; T33-I37 WeakPolarHBondContact O-CG1 3.42Å; T33-I37 PolarHBondContact O-N 2.94Å |
| 34 | L | 95.8 | Very high | 93.8 | Very high | 92 Ų | 92 | 75.9 Ų | 75.9 | 48% | 0.482 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61.2 | -44.6 | 175 | -72.1 | 173 | 0 | 0 | 0 | 111.6 | T30 N31 A36 I37 I38 | T30-L34 HydrophobicContact CG2-CD1 4.35Å; T30-L34 WeakPolarHBondContact O-CG 3.45Å; T30-L34 PolarHBondContact O-N 3.37Å; N31-L34 PolarHBondContact O-N 3.01Å; L34-A36 VanDerWaalsContact C-N 3.3Å; L34-A36 PolarHBondContact O-N 3.29Å; L34-I37 PolarHBondContact O-N 3.11Å; L34-I38 WeakPolarHBondContact O-CG1 3.46Å; L34-I38 PolarHBondContact O-N 2.89Å |
| 35 | A | 94.7 | Very high | 94.2 | Very high | 42 Ų | 42 | 77.3 Ų | 77.3 | 35% | 0.347 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -60.7 | -40.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | N31 S32 I38 R39 | N31-A35 WeakPolarHBondContact O-CB 3.32Å; N31-A35 PolarHBondContact O-N 3.21Å; S32-A35 PolarHBondContact O-N 3.22Å; A35-I38 PolarHBondContact O-N 2.8Å; A35-R39 WeakPolarHBondContact O-CG 3.48Å; A35-R39 PolarHBondContact O-N 3.34Å |
| 36 | A | 95.1 | Very high | 94.3 | Very high | 9 Ų | 9 | 76.1 Ų | 76.1 | 7% | 0.074 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -65.3 | -39.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | P10 L13 S32 T33 L34 R39 Q40 | P10-A36 WeakPolarHBondContact CD-O 3.27Å; P10-A36 HydrophobicContact CG-CB 3.92Å; P10-A36 WeakPolarHBondContact CG-O 3.33Å; L13-A36 HydrophobicContact CB-CB 4.31Å; L13-A36 HydrophobicContact CD2-CB 3.72Å; S32-A36 WeakPolarHBondContact O-CB 3.37Å; S32-A36 PolarHBondContact O-N 3.29Å; T33-A36 WeakPolarHBondContact O-CB 3.32Å; T33-A36 PolarHBondContact O-N 3.28Å; L34-A36 VanDerWaalsContact C-N 3.3Å; L34-A36 PolarHBondContact O-N 3.29Å; A36-R39 PolarHBondContact O-N 3.44Å; A36-Q40 WeakPolarHBondContact O-CB 3.49Å; A36-Q40 PolarHBondContact O-N 3.22Å |
| 37 | I | 96.6 | Very high | 94.3 | Very high | 58 Ų | 58 | 70.6 Ų | 70.6 | 30% | 0.297 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.9 | -44.5 | 174.2 | -69.6 | 165 | 0 | 0 | 0 | 110.5 | L13 T33 L34 R39 Q40 L41 | L13-I37 HydrophobicContact CD1-CD1 4.38Å; L13-I37 HydrophobicContact CD1-CG1 3.71Å; L13-I37 HydrophobicContact CD2-CG1 4.17Å; L13-I37 HydrophobicContact CG-CG1 4.48Å; T33-I37 HydrophobicContact CG2-CD1 4.13Å; T33-I37 VanDerWaalsContact O-CG1 3.32Å; T33-I37 WeakPolarHBondContact O-CG1 3.42Å; T33-I37 PolarHBondContact O-N 2.94Å; L34-I37 PolarHBondContact O-N 3.11Å; I37-R39 VanDerWaalsContact C-N 3.33Å; I37-R39 PolarHBondContact O-N 3.44Å; I37-Q40 WeakPolarHBondContact O-CA 3.34Å; I37-Q40 WeakPolarHBondContact O-CB 3.4Å; I37-Q40 PolarHBondContact O-N 3.44Å; I37-Q40 VanDerWaalsContact O-N 3.1Å; I37-L41 HydrophobicContact CG2-CD1 4.19Å; I37-L41 HydrophobicContact CG2-CG 4.45Å; I37-L41 WeakPolarHBondContact O-CG 3.26Å; I37-L41 PolarHBondContact O-N 2.83Å |
| 38 | I | 96.7 | Very high | 94.5 | Very high | 115 Ų | 115 | 66.7 Ų | 66.7 | 59% | 0.59 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -60.6 | -43.7 | 177.7 | -67.2 | 165.6 | 0 | 0 | 0 | 110.7 | L34 A35 Q40 L41 S42 | L34-I38 WeakPolarHBondContact O-CG1 3.46Å; L34-I38 PolarHBondContact O-N 2.89Å; A35-I38 PolarHBondContact O-N 2.8Å; I38-Q40 VanDerWaalsContact C-N 3.3Å; I38-Q40 PolarHBondContact O-N 3.12Å; I38-L41 PolarHBondContact O-N 2.82Å; I38-S42 PolarHBondContact O-N 3.28Å |
| 39 | R | 96.1 | Very high | 94.7 | Very high | 176 Ų | 176 | 71.8 Ų | 71.8 | 66% | 0.664 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -61.7 | -39.9 | 174.1 | -70.4 | 175.2 | -178.8 | 165.4 | 1.3 | 111.8 | E9 P10 A35 A36 I37 S42 S43 | E9-R39 CarbonylContact O-C 3.57Å; P10-R39 HydrophobicContact CG-CB 4.42Å; A35-R39 WeakPolarHBondContact O-CG 3.48Å; A35-R39 PolarHBondContact O-N 3.34Å; A36-R39 PolarHBondContact O-N 3.44Å; I37-R39 VanDerWaalsContact C-N 3.33Å; I37-R39 PolarHBondContact O-N 3.44Å; R39-S42 WeakPolarHBondContact O-CB 3.48Å; R39-S42 PolarHBondContact O-N 3.3Å; R39-S43 PolarHBondContact O-N 3.14Å |
| 40 | Q | 95.7 | Very high | 94.7 | Very high | 59 Ų | 59 | 71 Ų | 71 | 28% | 0.276 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.5 | -42.9 | 177.9 | -162.2 | 178.4 | 56.4 | 0 | 0 | 111.7 | I8 E9 P10 A36 I37 I38 S42 S43 L44 | I8-Q40 HydrophobicContact CB-CG 4.43Å; I8-Q40 HydrophobicContact CG2-CB 4.44Å; I8-Q40 HydrophobicContact CG2-CG 3.39Å; I8-Q40 VanDerWaalsContact CG2-O 3.29Å; I8-Q40 WeakPolarHBondContact CG2-O 3.22Å; E9-Q40 WeakPolarHBondContact O-CA 3.37Å; P10-Q40 PolarHBondContact O-NE2 3.12Å; A36-Q40 WeakPolarHBondContact O-CB 3.49Å; A36-Q40 PolarHBondContact O-N 3.22Å; I37-Q40 WeakPolarHBondContact O-CA 3.34Å; I37-Q40 WeakPolarHBondContact O-CB 3.4Å; I37-Q40 PolarHBondContact O-N 3.44Å; I37-Q40 VanDerWaalsContact O-N 3.1Å; I38-Q40 VanDerWaalsContact C-N 3.3Å; I38-Q40 PolarHBondContact O-N 3.12Å; Q40-S42 VanDerWaalsContact C-N 3.34Å; Q40-S43 PolarHBondContact O-N 3.3Å; Q40-L44 WeakPolarHBondContact O-CB 3.26Å; Q40-L44 PolarHBondContact O-N 3.46Å |
| 41 | L | 96.9 | Very high | 94.8 | Very high | 95 Ų | 95 | 71.3 Ų | 71.3 | 50% | 0.497 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -65.3 | -36.3 | 174.4 | -69.5 | 173.8 | 0 | 0 | 0 | 112.3 | I37 I38 L44 S45 | I37-L41 HydrophobicContact CG2-CD1 4.19Å; I37-L41 HydrophobicContact CG2-CG 4.45Å; I37-L41 WeakPolarHBondContact O-CG 3.26Å; I37-L41 PolarHBondContact O-N 2.83Å; I38-L41 PolarHBondContact O-N 2.82Å; L41-L44 HydrophobicContact CD2-CD2 4.49Å; L41-L44 PolarHBondContact O-N 3.25Å; L41-S45 WeakPolarHBondContact O-CB 3.33Å; L41-S45 PolarHBondContact O-N 3.5Å; L41-S45 PolarHBondContact O-OG 2.96Å |
| 42 | S | 97.1 | Very high | 95 | Very high | 80 Ų | 80 | 73.6 Ų | 73.6 | 56% | 0.559 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -63.6 | -46.5 | 173 | 176.5 | 0 | 0 | 0 | 0 | 111.5 | I38 R39 Q40 L44 S45 K46 | I38-S42 PolarHBondContact O-N 3.28Å; R39-S42 WeakPolarHBondContact O-CB 3.48Å; R39-S42 PolarHBondContact O-N 3.3Å; Q40-S42 VanDerWaalsContact C-N 3.34Å; S42-L44 VanDerWaalsContact C-N 3.34Å; S42-L44 PolarHBondContact O-N 3.15Å; S42-S45 WeakPolarHBondContact O-CB 3.36Å; S42-S45 PolarHBondContact O-N 2.96Å; S42-K46 PolarHBondContact O-N 3.21Å |
| 43 | S | 94.5 | Very high | 95.2 | Very high | 21 Ų | 21 | 72 Ų | 72 | 15% | 0.147 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -59.9 | -43.4 | 174.4 | 178.1 | 0 | 0 | 0 | 0 | 111.8 | E9 R39 Q40 S45 K46 H47 | E9-S43 PolarHBondContact N-OG 2.89Å; E9-S43 WeakPolarHBondContact O-CB 3.45Å; R39-S43 PolarHBondContact O-N 3.14Å; Q40-S43 PolarHBondContact O-N 3.3Å; S43-S45 VanDerWaalsContact C-N 3.33Å; S43-S45 PolarHBondContact O-N 3.49Å; S43-K46 WeakPolarHBondContact O-CB 3.5Å; S43-K46 PolarHBondContact O-N 2.82Å; S43-H47 PolarHBondContact O-CD2 3.15Å; S43-H47 PolarHBondContact O-N 3.17Å; S43-H47 VanDerWaalsContact O-N 3.11Å |
| 44 | L | 95.3 | Very high | 95.1 | Very high | 88 Ų | 88 | 74.4 Ų | 74.4 | 46% | 0.461 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.4 | -41.5 | 174.6 | 179.8 | 63.3 | 0 | 0 | 0 | 112.3 | I8 Q40 L41 S42 H47 A48 | I8-L44 HydrophobicContact CD1-CB 4.39Å; I8-L44 HydrophobicContact CD1-CD1 3.95Å; I8-L44 HydrophobicContact CG2-CB 4.38Å; Q40-L44 WeakPolarHBondContact O-CB 3.26Å; Q40-L44 PolarHBondContact O-N 3.46Å; L41-L44 HydrophobicContact CD2-CD2 4.49Å; L41-L44 PolarHBondContact O-N 3.25Å; S42-L44 VanDerWaalsContact C-N 3.34Å; S42-L44 PolarHBondContact O-N 3.15Å; L44-H47 PolarHBondContact O-N 2.96Å; L44-A48 PolarHBondContact O-N 2.82Å |
| 45 | S | 96.9 | Very high | 95.2 | Very high | 75 Ų | 75 | 74.6 Ų | 74.6 | 52% | 0.524 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.5 | -42.5 | 178.3 | -57.5 | 0 | 0 | 0 | 0 | 111.6 | L41 S42 S43 H47 A48 E49 | L41-S45 WeakPolarHBondContact O-CB 3.33Å; L41-S45 PolarHBondContact O-N 3.5Å; L41-S45 PolarHBondContact O-OG 2.96Å; S42-S45 WeakPolarHBondContact O-CB 3.36Å; S42-S45 PolarHBondContact O-N 2.96Å; S43-S45 VanDerWaalsContact C-N 3.33Å; S43-S45 PolarHBondContact O-N 3.49Å; S45-H47 VanDerWaalsContact C-N 3.34Å; S45-H47 PolarHBondContact O-N 3.47Å; S45-A48 PolarHBondContact O-N 3.04Å; S45-E49 PolarHBondContact O-N 3.46Å |
| 46 | K | 93.5 | Very high | 95.3 | Very high | 99 Ų | 99 | 78.9 Ų | 78.9 | 43% | 0.43 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -56.6 | -47.8 | 172.6 | -177.4 | -168.1 | 172.2 | -167.6 | 0 | 111.1 | S42 S43 A48 E49 D50 D123 | S42-K46 PolarHBondContact O-N 3.21Å; S43-K46 WeakPolarHBondContact O-CB 3.5Å; S43-K46 PolarHBondContact O-N 2.82Å; K46-A48 VanDerWaalsContact C-N 3.33Å; K46-A48 PolarHBondContact O-N 3.39Å; K46-E49 WeakPolarHBondContact O-CB 3.5Å; K46-E49 PolarHBondContact O-N 3.28Å; K46-D50 PolarHBondContact O-N 3.24Å; K46-D123 IonicContact NZ-OD2 3.15Å; K46-D123 PolarHBondContact NZ-OD2 3.1Å |
| 47 | H | 92 | Very high | 95.4 | Very high | 20 Ų | 20 | 83 Ų | 83 | 9% | 0.093 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -65.6 | -35.9 | 179.9 | -75.3 | -58.2 | 0 | 0 | 0 | 113.1 | R6 N7 I8 S43 L44 S45 I51 | R6-H47 WeakPolarHBondContact CD-ND1 3.32Å; R6-H47 WeakPolarHBondContact CG-ND1 3.19Å; R6-H47 PolarHBondContact NE-ND1 3.43Å; N7-H47 PolarHBondContact O-NE2 3Å; I8-H47 HydrophobicContact CD1-CB 4.48Å; I8-H47 WeakPolarHBondContact CD1-CD2 3.39Å; S43-H47 PolarHBondContact O-CD2 3.15Å; S43-H47 PolarHBondContact O-N 3.17Å; S43-H47 VanDerWaalsContact O-N 3.11Å; L44-H47 PolarHBondContact O-N 2.96Å; S45-H47 VanDerWaalsContact C-N 3.34Å; S45-H47 PolarHBondContact O-N 3.47Å; H47-I51 WeakPolarHBondContact O-CD1 3.47Å; H47-I51 VanDerWaalsContact O-CG1 3.27Å; H47-I51 WeakPolarHBondContact O-CG1 3.39Å; H47-I51 PolarHBondContact O-N 2.79Å; H47-I51 VanDerWaalsContact O-N 3.14Å |
| 48 | A | 94.8 | Very high | 95.5 | Very high | 35 Ų | 35 | 87 Ų | 87 | 29% | 0.289 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -65.7 | -45.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L44 S45 K46 D50 I51 F52 | L44-A48 PolarHBondContact O-N 2.82Å; S45-A48 PolarHBondContact O-N 3.04Å; K46-A48 VanDerWaalsContact C-N 3.33Å; K46-A48 PolarHBondContact O-N 3.39Å; A48-D50 VanDerWaalsContact C-N 3.33Å; A48-D50 PolarHBondContact O-N 3.45Å; A48-I51 PolarHBondContact O-N 2.93Å; A48-F52 HydrophobicContact CB-CD2 4.46Å; A48-F52 HydrophobicContact CB-CE2 4.35Å; A48-F52 WeakPolarHBondContact O-CD2 3.49Å; A48-F52 PolarHBondContact O-N 2.9Å |
| 49 | E | 94.8 | Very high | 95.6 | Very high | 141 Ų | 141 | 84.3 Ų | 84.3 | 66% | 0.659 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -54.6 | -49 | 174.7 | -178.6 | -175.6 | 174.4 | 0 | 0 | 111.1 | S45 K46 I51 F52 G53 | S45-E49 PolarHBondContact O-N 3.46Å; K46-E49 WeakPolarHBondContact O-CB 3.5Å; K46-E49 PolarHBondContact O-N 3.28Å; E49-I51 PolarHBondContact O-N 3.23Å; E49-F52 PolarHBondContact O-N 3.24Å; E49-G53 PolarHBondContact O-N 2.97Å |
| 50 | D | 92.1 | Very high | 95.7 | Very high | 37 Ų | 37 | 79 Ų | 79 | 20% | 0.198 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -61.4 | -42.6 | 179 | -66.5 | -21.3 | 0 | 0 | 0 | 112.5 | R6 K46 A48 G53 E54 | R6-D50 IonicContact CZ-OD2 2.95Å; R6-D50 IonicContact NE-OD2 2.89Å; R6-D50 IonicContact NH2-OD2 2.59Å; R6-D50 PolarHBondContact NH2-OD2 3.42Å; K46-D50 PolarHBondContact O-N 3.24Å; A48-D50 VanDerWaalsContact C-N 3.33Å; A48-D50 PolarHBondContact O-N 3.45Å; D50-G53 PolarHBondContact O-N 3.34Å; D50-E54 WeakPolarHBondContact O-CB 3.4Å; D50-E54 WeakPolarHBondContact O-CG 3.48Å; D50-E54 PolarHBondContact O-N 3.49Å |
| 51 | I | 92.9 | Very high | 95.8 | Very high | 74 Ų | 74 | 79.3 Ų | 79.3 | 38% | 0.379 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.3 | -48.2 | 179.5 | -70.4 | 165.3 | 0 | 0 | 0 | 110 | H47 A48 E49 G53 E54 L55 | H47-I51 WeakPolarHBondContact O-CD1 3.47Å; H47-I51 VanDerWaalsContact O-CG1 3.27Å; H47-I51 WeakPolarHBondContact O-CG1 3.39Å; H47-I51 PolarHBondContact O-N 2.79Å; H47-I51 VanDerWaalsContact O-N 3.14Å; A48-I51 PolarHBondContact O-N 2.93Å; E49-I51 PolarHBondContact O-N 3.23Å; I51-G53 VanDerWaalsContact C-N 3.3Å; I51-G53 PolarHBondContact O-N 3.47Å; I51-E54 PolarHBondContact O-N 3.32Å; I51-L55 HydrophobicContact CG2-CD1 4.15Å; I51-L55 WeakPolarHBondContact O-CG 3.21Å; I51-L55 PolarHBondContact O-N 3.01Å |
| 52 | F | 96.8 | Very high | 95.9 | Very high | 142 Ų | 142 | 81.5 Ų | 81.5 | 62% | 0.623 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -67.1 | -33.5 | 178.3 | -70 | -58.4 | 0 | 0 | 0 | 111.9 | A48 E49 F56 | A48-F52 HydrophobicContact CB-CD2 4.46Å; A48-F52 HydrophobicContact CB-CE2 4.35Å; A48-F52 WeakPolarHBondContact O-CD2 3.49Å; A48-F52 PolarHBondContact O-N 2.9Å; E49-F52 PolarHBondContact O-N 3.24Å; F52-F56 WeakPolarHBondContact O-CB 3.17Å; F52-F56 PolarHBondContact O-N 2.85Å |
| 53 | G | 95.9 | Very high | 96 | Very high | 27 Ų | 27 | 84.4 Ų | 84.4 | 28% | 0.278 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64.2 | -45.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | E49 D50 I51 F56 N57 | E49-G53 PolarHBondContact O-N 2.97Å; D50-G53 PolarHBondContact O-N 3.34Å; I51-G53 VanDerWaalsContact C-N 3.3Å; I51-G53 PolarHBondContact O-N 3.47Å; G53-F56 PolarHBondContact O-N 2.83Å; G53-N57 WeakPolarHBondContact O-CB 3.49Å; G53-N57 PolarHBondContact O-N 3.35Å; G53-N57 PolarHBondContact O-ND2 3.41Å |
| 54 | E | 93.8 | Very high | 96.2 | Very high | 78 Ų | 78 | 88 Ų | 88 | 36% | 0.364 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -58.4 | -49.2 | 175 | -73.7 | 171.7 | -141.5 | 0 | 0 | 110.8 | R6 D50 I51 F56 N57 E58 | R6-E54 IonicContact CZ-OE1 3.08Å; R6-E54 IonicContact NH1-OE1 2.81Å; R6-E54 PolarHBondContact NH1-OE1 2.85Å; R6-E54 VanDerWaalsContact NH1-OE1 3.1Å; R6-E54 IonicContact NH2-OE1 3.05Å; R6-E54 PolarHBondContact NH2-OE1 3.47Å; R6-E54 VanDerWaalsContact NH2-OE1 3.13Å; D50-E54 WeakPolarHBondContact O-CB 3.4Å; D50-E54 WeakPolarHBondContact O-CG 3.48Å; D50-E54 PolarHBondContact O-N 3.49Å; I51-E54 PolarHBondContact O-N 3.32Å; E54-F56 PolarHBondContact O-N 3.24Å; E54-N57 PolarHBondContact O-N 3.43Å; E54-E58 PolarHBondContact O-N 2.78Å; E54-E58 VanDerWaalsContact O-N 3.15Å |
| 55 | L | 96.8 | Very high | 96.3 | Very high | 96 Ų | 96 | 92.7 Ų | 92.7 | 50% | 0.503 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.8 | -42.7 | 177.5 | -69.5 | 173.7 | 0 | 0 | 0 | 112.6 | I51 E58 A59 | I51-L55 HydrophobicContact CG2-CD1 4.15Å; I51-L55 WeakPolarHBondContact O-CG 3.21Å; I51-L55 PolarHBondContact O-N 3.01Å; L55-E58 PolarHBondContact O-N 2.84Å; L55-A59 VanDerWaalsContact O-CB 3.29Å; L55-A59 WeakPolarHBondContact O-CB 3.29Å; L55-A59 PolarHBondContact O-N 2.91Å |
| 56 | F | 98.2 | Very high | 96.4 | Very high | 131 Ų | 131 | 90.9 Ų | 90.9 | 58% | 0.575 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -61.2 | -45.5 | 177.7 | 172.1 | -95.7 | 0 | 0 | 0 | 111.3 | F52 G53 E54 E58 A59 N60 | F52-F56 WeakPolarHBondContact O-CB 3.17Å; F52-F56 PolarHBondContact O-N 2.85Å; G53-F56 PolarHBondContact O-N 2.83Å; E54-F56 PolarHBondContact O-N 3.24Å; F56-E58 VanDerWaalsContact C-N 3.33Å; F56-E58 PolarHBondContact O-N 2.95Å; F56-A59 PolarHBondContact O-N 3.36Å; F56-N60 HydrophobicContact CE1-CB 4.47Å; F56-N60 HydrophobicContact CZ-CB 4.49Å; F56-N60 WeakPolarHBondContact O-CB 3.41Å; F56-N60 PolarHBondContact O-N 2.93Å |
| 57 | N | 96.9 | Very high | 96.6 | Very high | 96 Ų | 96 | 89.3 Ų | 89.3 | 51% | 0.513 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62.8 | -40.8 | -179.9 | -73.1 | -34.9 | 0 | 0 | 0 | 112 | G53 E54 S61 | G53-N57 WeakPolarHBondContact O-CB 3.49Å; G53-N57 PolarHBondContact O-N 3.35Å; G53-N57 PolarHBondContact O-ND2 3.41Å; E54-N57 PolarHBondContact O-N 3.43Å; N57-S61 WeakPolarHBondContact O-CB 3.38Å; N57-S61 PolarHBondContact O-N 2.8Å; N57-S61 PolarHBondContact O-OG 3.15Å |
| 58 | E | 97.4 | Very high | 97 | Very high | 143 Ų | 143 | 91.5 Ų | 91.5 | 67% | 0.668 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -67.4 | -46.5 | 176.2 | -172.5 | 170.4 | -167.9 | 0 | 0 | 111.6 | E54 L55 F56 N60 S61 F62 | E54-E58 PolarHBondContact O-N 2.78Å; E54-E58 VanDerWaalsContact O-N 3.15Å; L55-E58 PolarHBondContact O-N 2.84Å; F56-E58 VanDerWaalsContact C-N 3.33Å; F56-E58 PolarHBondContact O-N 2.95Å; E58-N60 VanDerWaalsContact C-N 3.33Å; E58-N60 PolarHBondContact O-N 3.47Å; E58-S61 WeakPolarHBondContact O-CB 3.45Å; E58-S61 PolarHBondContact O-N 3.12Å; E58-F62 PolarHBondContact O-N 2.91Å |
| 59 | A | 98.6 | Very high | 97.2 | Very high | 58 Ų | 58 | 94.1 Ų | 94.1 | 48% | 0.479 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.6 | -40.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L55 F56 F62 Y63 | L55-A59 VanDerWaalsContact O-CB 3.29Å; L55-A59 WeakPolarHBondContact O-CB 3.29Å; L55-A59 PolarHBondContact O-N 2.91Å; F56-A59 PolarHBondContact O-N 3.36Å; A59-F62 WeakPolarHBondContact O-CB 3.28Å; A59-F62 PolarHBondContact O-N 3.23Å; A59-Y63 WeakPolarHBondContact O-CB 3.48Å; A59-Y63 PolarHBondContact O-N 3.36Å |
| 60 | N | 98.5 | Very high | 97.3 | Very high | 64 Ų | 64 | 91.8 Ų | 91.8 | 34% | 0.342 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -66.8 | -41.2 | 176.5 | -176.4 | 60.8 | 0 | 0 | 0 | 111.6 | F56 E58 F62 Y63 I64 | F56-N60 HydrophobicContact CE1-CB 4.47Å; F56-N60 HydrophobicContact CZ-CB 4.49Å; F56-N60 WeakPolarHBondContact O-CB 3.41Å; F56-N60 PolarHBondContact O-N 2.93Å; E58-N60 VanDerWaalsContact C-N 3.33Å; E58-N60 PolarHBondContact O-N 3.47Å; N60-F62 VanDerWaalsContact C-N 3.31Å; N60-F62 PolarHBondContact O-N 3.21Å; N60-Y63 WeakPolarHBondContact O-CB 3.32Å; N60-Y63 PolarHBondContact O-N 2.91Å; N60-I64 WeakPolarHBondContact O-CG1 3.34Å; N60-I64 PolarHBondContact O-N 3.11Å |
| 61 | S | 98.5 | Very high | 97.6 | Very high | 66 Ų | 66 | 93.9 Ų | 93.9 | 46% | 0.462 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.9 | -40.7 | 174.2 | -60.7 | 0 | 0 | 0 | 0 | 111.6 | N57 E58 R65 | N57-S61 WeakPolarHBondContact O-CB 3.38Å; N57-S61 PolarHBondContact O-N 2.8Å; N57-S61 PolarHBondContact O-OG 3.15Å; E58-S61 WeakPolarHBondContact O-CB 3.45Å; E58-S61 PolarHBondContact O-N 3.12Å; S61-R65 WeakPolarHBondContact O-CG 3.47Å; S61-R65 PolarHBondContact O-N 3.4Å |
| 62 | F | 98.5 | Very high | 97.9 | Very high | 140 Ų | 140 | 98 Ų | 98 | 61% | 0.614 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.5 | -46.4 | 172.7 | 174.2 | -99.6 | 0 | 0 | 0 | 111.9 | E58 A59 N60 I64 R65 A66 | E58-F62 PolarHBondContact O-N 2.91Å; A59-F62 WeakPolarHBondContact O-CB 3.28Å; A59-F62 PolarHBondContact O-N 3.23Å; N60-F62 VanDerWaalsContact C-N 3.31Å; N60-F62 PolarHBondContact O-N 3.21Å; F62-I64 PolarHBondContact O-N 3.39Å; F62-R65 WeakPolarHBondContact O-CB 3.14Å; F62-R65 PolarHBondContact O-N 3.36Å; F62-A66 HydrophobicContact CE1-CB 4.4Å; F62-A66 WeakPolarHBondContact O-CB 3.49Å; F62-A66 PolarHBondContact O-N 3.03Å |
| 63 | Y | 98.6 | Very high | 98 | Very high | 141 Ų | 141 | 95.1 Ų | 95.1 | 55% | 0.553 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -56.7 | -47.8 | 179.1 | 171.1 | -105.3 | 0 | 0 | 0 | 112.3 | A59 N60 R65 A66 N67 | A59-Y63 WeakPolarHBondContact O-CB 3.48Å; A59-Y63 PolarHBondContact O-N 3.36Å; N60-Y63 WeakPolarHBondContact O-CB 3.32Å; N60-Y63 PolarHBondContact O-N 2.91Å; Y63-R65 VanDerWaalsContact C-N 3.32Å; Y63-R65 PolarHBondContact O-N 2.79Å; Y63-A66 PolarHBondContact O-N 2.85Å; Y63-N67 WeakPolarHBondContact CE1-ND2 3.18Å; Y63-N67 VanDerWaalsContact CE2-ND2 3.26Å; Y63-N67 WeakPolarHBondContact CE2-ND2 3.5Å; Y63-N67 PolarHBondContact O-N 3.39Å; Y63-N67 PolarHBondContact O-ND2 3.49Å; Y63-N67 PolarHBondContact OH-ND2 3.17Å |
| 64 | I | 98.6 | Very high | 98.1 | Very high | 98 Ų | 98 | 97.7 Ų | 97.7 | 50% | 0.503 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.8 | -44.1 | 177.5 | -66.4 | 166.4 | 0 | 0 | 0 | 110.9 | N60 F62 S68 | N60-I64 WeakPolarHBondContact O-CG1 3.34Å; N60-I64 PolarHBondContact O-N 3.11Å; F62-I64 PolarHBondContact O-N 3.39Å; I64-S68 WeakPolarHBondContact O-CB 3.08Å; I64-S68 PolarHBondContact O-N 3.45Å |
| 65 | R | 98.6 | Very high | 98.3 | Very high | 186 Ų | 186 | 100.7 Ų | 100.7 | 70% | 0.702 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.2 | -40.5 | 177.7 | -71.6 | 170 | 59.3 | -164.3 | -2.4 | 112 | S61 F62 Y63 S68 L69 | S61-R65 WeakPolarHBondContact O-CG 3.47Å; S61-R65 PolarHBondContact O-N 3.4Å; F62-R65 WeakPolarHBondContact O-CB 3.14Å; F62-R65 PolarHBondContact O-N 3.36Å; Y63-R65 VanDerWaalsContact C-N 3.32Å; Y63-R65 PolarHBondContact O-N 2.79Å; R65-S68 PolarHBondContact O-N 2.97Å; R65-L69 WeakPolarHBondContact O-CB 2.94Å; R65-L69 PolarHBondContact O-N 3.21Å |
| 66 | A | 98.8 | Very high | 98.4 | Very high | 37 Ų | 37 | 101.1 Ų | 101.1 | 31% | 0.306 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.2 | -45 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | F62 Y63 L69 Q70 | F62-A66 HydrophobicContact CE1-CB 4.4Å; F62-A66 WeakPolarHBondContact O-CB 3.49Å; F62-A66 PolarHBondContact O-N 3.03Å; Y63-A66 PolarHBondContact O-N 2.85Å; A66-L69 WeakPolarHBondContact O-CB 3.17Å; A66-L69 PolarHBondContact O-N 3.05Å; A66-Q70 WeakPolarHBondContact O-CB 3.27Å; A66-Q70 PolarHBondContact O-N 3.05Å |
| 67 | N | 98.6 | Very high | 98.4 | Very high | 66 Ų | 66 | 97.3 Ų | 97.3 | 35% | 0.353 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.4 | -45.2 | 175.7 | -70.2 | -24.9 | 0 | 0 | 0 | 112 | Y63 L69 Q70 D71 | Y63-N67 WeakPolarHBondContact CE1-ND2 3.18Å; Y63-N67 VanDerWaalsContact CE2-ND2 3.26Å; Y63-N67 WeakPolarHBondContact CE2-ND2 3.5Å; Y63-N67 PolarHBondContact O-N 3.39Å; Y63-N67 PolarHBondContact O-ND2 3.49Å; Y63-N67 PolarHBondContact OH-ND2 3.17Å; N67-L69 PolarHBondContact O-N 3.36Å; N67-Q70 PolarHBondContact O-N 3.3Å; N67-Q70 VanDerWaalsContact O-N 3.15Å; N67-D71 PolarHBondContact O-N 3.47Å |
| 68 | S | 98.7 | Very high | 98.4 | Very high | 65 Ų | 65 | 96.2 Ų | 96.2 | 46% | 0.455 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.6 | -37.6 | 176 | -176.1 | 0 | 0 | 0 | 0 | 112.1 | I64 R65 R72 | I64-S68 WeakPolarHBondContact O-CB 3.08Å; I64-S68 PolarHBondContact O-N 3.45Å; R65-S68 PolarHBondContact O-N 2.97Å; S68-R72 VanDerWaalsContact O-CG 3.26Å; S68-R72 WeakPolarHBondContact O-CG 3.32Å; S68-R72 PolarHBondContact O-N 2.82Å |
| 69 | L | 98.7 | Very high | 98.4 | Very high | 91 Ų | 91 | 96.3 Ų | 96.3 | 48% | 0.476 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -69.7 | -42.2 | 175.3 | -178.3 | 60.8 | 0 | 0 | 0 | 111.8 | R65 A66 N67 R72 I73 | R65-L69 WeakPolarHBondContact O-CB 2.94Å; R65-L69 PolarHBondContact O-N 3.21Å; A66-L69 WeakPolarHBondContact O-CB 3.17Å; A66-L69 PolarHBondContact O-N 3.05Å; N67-L69 PolarHBondContact O-N 3.36Å; L69-R72 WeakPolarHBondContact O-CB 3.45Å; L69-R72 PolarHBondContact O-N 3.49Å; L69-R72 VanDerWaalsContact O-N 3.14Å; L69-I73 HydrophobicContact CD1-CD1 4.33Å; L69-I73 HydrophobicContact CD1-CG1 4.42Å; L69-I73 HydrophobicContact CG-CD1 3.93Å; L69-I73 HydrophobicContact CG-CG1 4.46Å; L69-I73 WeakPolarHBondContact O-CG1 3.48Å; L69-I73 PolarHBondContact O-N 3.26Å |
| 70 | Q | 98.6 | Very high | 98.3 | Very high | 92 Ų | 92 | 97.6 Ų | 97.6 | 43% | 0.43 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.2 | -50.1 | 177.8 | -173.8 | 59.7 | 53.4 | 0 | 0 | 111 | A66 N67 R72 I73 D74 | A66-Q70 WeakPolarHBondContact O-CB 3.27Å; A66-Q70 PolarHBondContact O-N 3.05Å; N67-Q70 PolarHBondContact O-N 3.3Å; N67-Q70 VanDerWaalsContact O-N 3.15Å; Q70-R72 PolarHBondContact O-N 3.11Å; Q70-R72 VanDerWaalsContact O-N 3.15Å; Q70-I73 WeakPolarHBondContact O-CA 3.5Å; Q70-I73 WeakPolarHBondContact O-CB 3.22Å; Q70-I73 PolarHBondContact O-N 3.24Å; Q70-D74 PolarHBondContact NE2-OD1 3.45Å; Q70-D74 PolarHBondContact O-N 2.67Å |
| 71 | D | 98.6 | Very high | 98.2 | Very high | 81 Ų | 81 | 100 Ų | 100 | 43% | 0.433 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -57.1 | -35.7 | 176.8 | -72.4 | -14.8 | 0 | 0 | 0 | 112.3 | N67 R75 | N67-D71 PolarHBondContact O-N 3.47Å; D71-R75 VanDerWaalsContact CB-NH2 3.34Å; D71-R75 WeakPolarHBondContact O-CG 3.42Å; D71-R75 PolarHBondContact O-N 2.88Å; D71-R75 PolarHBondContact O-NE 3.49Å; D71-R75 PolarHBondContact O-NH2 3.31Å |
| 72 | R | 98.6 | Very high | 97.9 | Very high | 160 Ų | 160 | 103.9 Ų | 103.9 | 60% | 0.604 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -70.9 | -39.4 | 176.1 | -73.4 | 172.5 | 65.8 | -165.9 | -0.3 | 111.8 | S68 L69 Q70 L76 | S68-R72 VanDerWaalsContact O-CG 3.26Å; S68-R72 WeakPolarHBondContact O-CG 3.32Å; S68-R72 PolarHBondContact O-N 2.82Å; L69-R72 WeakPolarHBondContact O-CB 3.45Å; L69-R72 PolarHBondContact O-N 3.49Å; L69-R72 VanDerWaalsContact O-N 3.14Å; Q70-R72 PolarHBondContact O-N 3.11Å; Q70-R72 VanDerWaalsContact O-N 3.15Å; R72-L76 VanDerWaalsContact O-CB 3.25Å; R72-L76 WeakPolarHBondContact O-CB 3.48Å; R72-L76 PolarHBondContact O-N 3.1Å |
| 73 | I | 98.7 | Very high | 97.7 | Very high | 81 Ų | 81 | 102.3 Ų | 102.3 | 42% | 0.415 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.3 | -45.8 | 176.1 | -71.2 | 166.9 | 0 | 0 | 0 | 109.8 | L69 Q70 R75 L76 A77 | L69-I73 HydrophobicContact CD1-CD1 4.33Å; L69-I73 HydrophobicContact CD1-CG1 4.42Å; L69-I73 HydrophobicContact CG-CD1 3.93Å; L69-I73 HydrophobicContact CG-CG1 4.46Å; L69-I73 WeakPolarHBondContact O-CG1 3.48Å; L69-I73 PolarHBondContact O-N 3.26Å; Q70-I73 WeakPolarHBondContact O-CA 3.5Å; Q70-I73 WeakPolarHBondContact O-CB 3.22Å; Q70-I73 PolarHBondContact O-N 3.24Å; I73-R75 PolarHBondContact O-N 3.4Å; I73-L76 CarbonylContact O-C 3.56Å; I73-L76 PolarHBondContact O-N 3.33Å; I73-L76 VanDerWaalsContact O-N 3.11Å; I73-A77 WeakPolarHBondContact O-CB 3.47Å; I73-A77 PolarHBondContact O-N 2.92Å |
| 74 | D | 98.5 | Very high | 97.3 | Very high | 82 Ų | 82 | 99.5 Ų | 99.5 | 44% | 0.439 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.1 | -45.9 | -178.9 | -63.6 | -20.4 | 0 | 0 | 0 | 111.3 | Q70 L76 A77 V78 | Q70-D74 PolarHBondContact NE2-OD1 3.45Å; Q70-D74 PolarHBondContact O-N 2.67Å; D74-L76 VanDerWaalsContact C-N 3.32Å; D74-L76 PolarHBondContact O-N 3.04Å; D74-A77 PolarHBondContact O-N 2.87Å; D74-V78 PolarHBondContact O-N 3.04Å |
| 75 | R | 98.3 | Very high | 96.6 | Very high | 141 Ų | 141 | 99.8 Ų | 99.8 | 53% | 0.532 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.4 | -37.5 | 174.3 | -73.1 | -174.9 | -72.8 | -92.5 | 1 | 112.5 | D71 I73 K79 | D71-R75 VanDerWaalsContact CB-NH2 3.34Å; D71-R75 WeakPolarHBondContact O-CG 3.42Å; D71-R75 PolarHBondContact O-N 2.88Å; D71-R75 PolarHBondContact O-NE 3.49Å; D71-R75 PolarHBondContact O-NH2 3.31Å; I73-R75 PolarHBondContact O-N 3.4Å; R75-K79 WeakPolarHBondContact O-CG 3.47Å; R75-K79 PolarHBondContact O-N 3.31Å |
| 76 | L | 98.3 | Very high | 96 | Very high | 104 Ų | 104 | 96.8 Ų | 96.8 | 55% | 0.545 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68.8 | -40.4 | 177.9 | -178 | 61.8 | 0 | 0 | 0 | 111.2 | R72 I73 D74 V78 K79 V80 | R72-L76 VanDerWaalsContact O-CB 3.25Å; R72-L76 WeakPolarHBondContact O-CB 3.48Å; R72-L76 PolarHBondContact O-N 3.1Å; I73-L76 CarbonylContact O-C 3.56Å; I73-L76 PolarHBondContact O-N 3.33Å; I73-L76 VanDerWaalsContact O-N 3.11Å; D74-L76 VanDerWaalsContact C-N 3.32Å; D74-L76 PolarHBondContact O-N 3.04Å; L76-V78 VanDerWaalsContact C-N 3.33Å; L76-V78 PolarHBondContact O-N 3.43Å; L76-K79 PolarHBondContact O-N 3.32Å; L76-K79 VanDerWaalsContact O-N 3.12Å; L76-V80 HydrophobicContact CD1-CG2 4.07Å; L76-V80 HydrophobicContact CG-CG2 4.17Å; L76-V80 WeakPolarHBondContact O-CG2 3.3Å; L76-V80 PolarHBondContact O-N 2.78Å |
| 77 | A | 98.1 | Very high | 95.4 | Very high | 51 Ų | 51 | 100 Ų | 100 | 42% | 0.421 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60 | -42.6 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | I73 D74 V80 T81 | I73-A77 WeakPolarHBondContact O-CB 3.47Å; I73-A77 PolarHBondContact O-N 2.92Å; D74-A77 PolarHBondContact O-N 2.87Å; A77-V80 PolarHBondContact O-N 2.92Å; A77-T81 WeakPolarHBondContact O-CB 3.45Å; A77-T81 WeakPolarHBondContact O-CG2 3.44Å; A77-T81 PolarHBondContact O-N 3.45Å; A77-T81 PolarHBondContact O-OG1 2.9Å |
| 78 | V | 97.7 | Very high | 94.6 | Very high | 74 Ų | 74 | 102.9 Ų | 102.9 | 45% | 0.448 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.5 | -45.2 | 173.3 | 176.3 | 0 | 0 | 0 | 0 | 111.2 | D74 L76 V80 T81 Q82 | D74-V78 PolarHBondContact O-N 3.04Å; L76-V78 VanDerWaalsContact C-N 3.33Å; L76-V78 PolarHBondContact O-N 3.43Å; V78-V80 PolarHBondContact O-N 3.26Å; V78-T81 WeakPolarHBondContact CA-OG1 3.29Å; V78-T81 PolarHBondContact O-N 3.45Å; V78-T81 PolarHBondContact O-OG1 2.91Å; V78-Q82 VanDerWaalsContact CG1-NE2 3.25Å; V78-Q82 WeakPolarHBondContact O-CB 3.44Å; V78-Q82 VanDerWaalsContact O-CG 3.28Å; V78-Q82 WeakPolarHBondContact O-CG 3.26Å; V78-Q82 PolarHBondContact O-N 3.25Å; V78-Q82 VanDerWaalsContact O-N 3.11Å |
| 79 | K | 96.4 | Very high | 94 | Very high | 145 Ų | 145 | 108.5 Ų | 108.5 | 63% | 0.63 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -63.4 | -43 | 178.4 | -72.3 | -178.9 | 179.4 | -170.1 | 0 | 112.3 | R75 L76 T81 Q82 L83 | R75-K79 WeakPolarHBondContact O-CG 3.47Å; R75-K79 PolarHBondContact O-N 3.31Å; L76-K79 PolarHBondContact O-N 3.32Å; L76-K79 VanDerWaalsContact O-N 3.12Å; K79-T81 VanDerWaalsContact C-N 3.34Å; K79-T81 PolarHBondContact O-N 3.44Å; K79-Q82 PolarHBondContact O-N 3.13Å; K79-L83 WeakPolarHBondContact O-CG 3.39Å; K79-L83 PolarHBondContact O-N 3.1Å |
| 80 | V | 96.6 | Very high | 93.2 | Very high | 84 Ų | 84 | 110.8 Ų | 110.8 | 51% | 0.509 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.8 | -38.3 | -179.4 | 170.7 | 0 | 0 | 0 | 0 | 111.5 | L76 A77 V78 Q82 L83 | L76-V80 HydrophobicContact CD1-CG2 4.07Å; L76-V80 HydrophobicContact CG-CG2 4.17Å; L76-V80 WeakPolarHBondContact O-CG2 3.3Å; L76-V80 PolarHBondContact O-N 2.78Å; A77-V80 PolarHBondContact O-N 2.92Å; V78-V80 PolarHBondContact O-N 3.26Å; V80-Q82 VanDerWaalsContact C-N 3.32Å; V80-L83 PolarHBondContact O-N 3.11Å |
| 81 | T | 95.5 | Very high | 92.5 | Very high | 116 Ų | 116 | 108.5 Ų | 108.5 | 71% | 0.712 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -73.5 | -23 | 177.7 | 48.7 | 0 | 0 | 0 | 0 | 113.5 | A77 V78 K79 | A77-T81 WeakPolarHBondContact O-CB 3.45Å; A77-T81 WeakPolarHBondContact O-CG2 3.44Å; A77-T81 PolarHBondContact O-N 3.45Å; A77-T81 PolarHBondContact O-OG1 2.9Å; V78-T81 WeakPolarHBondContact CA-OG1 3.29Å; V78-T81 PolarHBondContact O-N 3.45Å; V78-T81 PolarHBondContact O-OG1 2.91Å; K79-T81 VanDerWaalsContact C-N 3.34Å; K79-T81 PolarHBondContact O-N 3.44Å |
| 82 | Q | 94 | Very high | 91.8 | Very high | 147 Ų | 147 | 110.8 Ų | 110.8 | 69% | 0.687 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | -4.7 | 175.3 | -69.8 | 176.5 | 8.2 | 0 | 0 | 113.7 | V78 K79 V80 D84 | V78-Q82 VanDerWaalsContact CG1-NE2 3.25Å; V78-Q82 WeakPolarHBondContact O-CB 3.44Å; V78-Q82 VanDerWaalsContact O-CG 3.28Å; V78-Q82 WeakPolarHBondContact O-CG 3.26Å; V78-Q82 PolarHBondContact O-N 3.25Å; V78-Q82 VanDerWaalsContact O-N 3.11Å; K79-Q82 PolarHBondContact O-N 3.13Å; V80-Q82 VanDerWaalsContact C-N 3.32Å; Q82-D84 PolarHBondContact O-N 3.14Å |
| 83 | L | 92.6 | Very high | 91.2 | Very high | 106 Ų | 106 | 109.7 Ų | 109.7 | 56% | 0.555 | 59% | 0.589 | S | S | * | * | trans | -67.2 | 125.3 | 176.9 | -78.8 | 164.5 | 0 | 0 | 0 | 110.2 | K79 V80 | K79-L83 WeakPolarHBondContact O-CG 3.39Å; K79-L83 PolarHBondContact O-N 3.1Å; V80-L83 PolarHBondContact O-N 3.11Å | ||
| 84 | D | 91.6 | Very high | 90.6 | Very high | 82 Ų | 82 | 108.9 Ų | 108.9 | 44% | 0.439 | 59% | 0.585 | S | S | . | * | trans | -109.5 | 100.9 | 171.9 | -174.6 | -9.4 | 0 | 0 | 0 | 109.3 | Q82 T86 V87 E88 | Q82-D84 PolarHBondContact O-N 3.14Å; D84-T86 PolarHBondContact O-N 2.9Å; D84-T86 WeakPolarHBondContact OD1-CB 3.48Å; D84-T86 PolarHBondContact OD1-N 3.16Å; D84-T86 PolarHBondContact OD1-OG1 3.2Å; D84-T86 PolarHBondContact OD2-OG1 2.57Å; D84-V87 HydrophobicContact CB-CB 4.5Å; D84-V87 PolarHBondContact O-N 3.15Å; D84-V87 WeakPolarHBondContact OD2-CG2 3.41Å; D84-E88 PolarHBondContact O-N 3.31Å; D84-E88 VanDerWaalsContact O-N 3.12Å | ||
| 85 | S | 84 | Confident | 89.8 | Confident | 104 Ų | 104 | 110.8 Ų | 110.8 | 73% | 0.727 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | -13.1 | -179.6 | 59.7 | 0 | 0 | 0 | 0 | 113.7 | ||
| 86 | T | 85.3 | Confident | 89.2 | Confident | 123 Ų | 123 | 111.1 Ų | 111.1 | 76% | 0.755 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | -19.6 | 176.4 | 70.3 | 0 | 0 | 0 | 0 | 112.6 | D84 | D84-T86 PolarHBondContact O-N 2.9Å; D84-T86 WeakPolarHBondContact OD1-CB 3.48Å; D84-T86 PolarHBondContact OD1-N 3.16Å; D84-T86 PolarHBondContact OD1-OG1 3.2Å; D84-T86 PolarHBondContact OD2-OG1 2.57Å |
| 87 | V | 85.8 | Confident | 88.9 | Confident | 104 Ų | 104 | 113.7 Ų | 113.7 | 63% | 0.63 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.5 | -21.1 | -179.3 | -178.6 | 0 | 0 | 0 | 0 | 111.9 | D84 E89 | D84-V87 HydrophobicContact CB-CB 4.5Å; D84-V87 PolarHBondContact O-N 3.15Å; D84-V87 WeakPolarHBondContact OD2-CG2 3.41Å; V87-E89 PolarHBondContact O-N 3.23Å; V87-E89 VanDerWaalsContact O-N 3.16Å |
| 88 | E | 82.9 | Confident | 88.5 | Confident | 128 Ų | 128 | 117.4 Ų | 117.4 | 60% | 0.598 | 62% | 0.624 | S | S | * | * | trans | -72.6 | 104.9 | -178.7 | -169 | 174.9 | -178 | 0 | 0 | 112.4 | D84 | D84-E88 PolarHBondContact O-N 3.31Å; D84-E88 VanDerWaalsContact O-N 3.12Å | ||
| 89 | E | 85.7 | Confident | 88.4 | Confident | 182 Ų | 182 | 123.8 Ų | 123.8 | 85% | 0.85 | 65% | 0.646 | S | S | * | * | trans | -85.5 | 130.8 | 175.5 | -66.1 | -175.9 | 178.9 | 0 | 0 | 112 | V87 S91 | V87-E89 PolarHBondContact O-N 3.23Å; V87-E89 VanDerWaalsContact O-N 3.16Å; E89-S91 PolarHBondContact O-N 3.39Å | ||
| 90 | V | 81.6 | Confident | 88.2 | Confident | 140 Ų | 140 | 120.5 Ų | 120.5 | 85% | 0.848 | 65% | 0.646 | S | S | * | * | trans | -79.9 | 107.1 | 176.1 | -177.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 91 | S | 83.6 | Confident | 88.2 | Confident | 44 Ų | 44 | 125.2 Ų | 125.2 | 31% | 0.308 | 66% | 0.66 | S | S | . | * | trans | -82.1 | 121.1 | 179.2 | -178 | 0 | 0 | 0 | 0 | 112.4 | E89 Q93 D94 | E89-S91 PolarHBondContact O-N 3.39Å; S91-Q93 PolarHBondContact O-N 3.32Å; S91-Q93 WeakPolarHBondContact OG-CB 2.93Å; S91-Q93 PolarHBondContact OG-N 2.86Å; S91-D94 WeakPolarHBondContact O-CB 3.34Å; S91-D94 PolarHBondContact O-N 3.07Å | ||
| 92 | L | 84.9 | Confident | 88.3 | Confident | 129 Ų | 129 | 128 Ų | 128 | 68% | 0.675 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | -18.1 | 170.5 | -63.6 | 176.5 | 0 | 0 | 0 | 112.7 | D94 I95 | L92-D94 PolarHBondContact O-N 2.71Å; L92-I95 HydrophobicContact CD2-CD1 3.77Å; L92-I95 PolarHBondContact O-N 3.15Å |
| 93 | Q | 85.1 | Confident | 88.4 | Confident | 136 Ų | 136 | 124.8 Ų | 124.8 | 64% | 0.636 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -64.9 | -29.7 | 175.1 | -60.2 | 177.5 | -10 | 0 | 0 | 111 | S91 I95 N96 M97 | S91-Q93 PolarHBondContact O-N 3.32Å; S91-Q93 WeakPolarHBondContact OG-CB 2.93Å; S91-Q93 PolarHBondContact OG-N 2.86Å; Q93-I95 VanDerWaalsContact C-N 3.25Å; Q93-I95 PolarHBondContact O-N 2.97Å; Q93-N96 PolarHBondContact O-N 2.89Å; Q93-M97 VanDerWaalsContact O-CB 3.27Å; Q93-M97 WeakPolarHBondContact O-CB 3.36Å; Q93-M97 WeakPolarHBondContact O-CG 3.43Å; Q93-M97 PolarHBondContact O-N 3.07Å |
| 94 | D | 85.8 | Confident | 88.6 | Confident | 64 Ų | 64 | 124.3 Ų | 124.3 | 34% | 0.342 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -65.1 | -31.1 | 178.8 | -72.5 | -4.9 | 0 | 0 | 0 | 112.3 | S91 L92 N96 K98 | S91-D94 WeakPolarHBondContact O-CB 3.34Å; S91-D94 PolarHBondContact O-N 3.07Å; L92-D94 PolarHBondContact O-N 2.71Å; D94-N96 VanDerWaalsContact C-N 3.32Å; D94-N96 PolarHBondContact O-N 3.03Å; D94-K98 HydrophobicContact CB-CD 3.96Å; D94-K98 HydrophobicContact CB-CG 4.38Å; D94-K98 WeakPolarHBondContact O-CB 3.43Å; D94-K98 PolarHBondContact O-N 3.41Å; D94-K98 VanDerWaalsContact O-N 3.12Å; D94-K98 WeakPolarHBondContact OD1-CD 3.36Å; D94-K98 WeakPolarHBondContact OD1-CE 3.36Å; D94-K98 IonicContact OD1-NZ 2.79Å; D94-K98 PolarHBondContact OD1-NZ 3.28Å; D94-K98 IonicContact OD2-NZ 2.74Å; D94-K98 PolarHBondContact OD2-NZ 3.08Å |
| 95 | I | 82.3 | Confident | 88.9 | Confident | 123 Ų | 123 | 126.1 Ų | 126.1 | 63% | 0.631 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -65.9 | -37.9 | 179.7 | -58.5 | 174.9 | 0 | 0 | 0 | 110.9 | L92 Q93 | L92-I95 HydrophobicContact CD2-CD1 3.77Å; L92-I95 PolarHBondContact O-N 3.15Å; Q93-I95 VanDerWaalsContact C-N 3.25Å; Q93-I95 PolarHBondContact O-N 2.97Å |
| 96 | N | 86.6 | Confident | 89.5 | Confident | 147 Ų | 147 | 128 Ų | 128 | 79% | 0.786 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -99.8 | -28.3 | -174.9 | -69.6 | -35.8 | 0 | 0 | 0 | 113.4 | Q93 D94 | Q93-N96 PolarHBondContact O-N 2.89Å; D94-N96 VanDerWaalsContact C-N 3.32Å; D94-N96 PolarHBondContact O-N 3.03Å |
| 97 | M | 90.8 | Very high | 90 | Very high | 158 Ų | 158 | 129.2 Ų | 129.2 | 78% | 0.778 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -107.6 | -19.1 | -172.4 | -57 | -163.1 | 73.4 | 0 | 0 | 114.2 | Q93 | Q93-M97 VanDerWaalsContact O-CB 3.27Å; Q93-M97 WeakPolarHBondContact O-CB 3.36Å; Q93-M97 WeakPolarHBondContact O-CG 3.43Å; Q93-M97 PolarHBondContact O-N 3.07Å |
| 98 | K | 90.9 | Very high | 90.4 | Very high | 129 Ų | 129 | 131.2 Ų | 131.2 | 56% | 0.561 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -99.7 | 137.9 | 173.9 | -65.6 | -178 | -177.8 | 157.4 | 0 | 110.3 | D94 A100 | D94-K98 HydrophobicContact CB-CD 3.96Å; D94-K98 HydrophobicContact CB-CG 4.38Å; D94-K98 WeakPolarHBondContact O-CB 3.43Å; D94-K98 PolarHBondContact O-N 3.41Å; D94-K98 VanDerWaalsContact O-N 3.12Å; D94-K98 WeakPolarHBondContact OD1-CD 3.36Å; D94-K98 WeakPolarHBondContact OD1-CE 3.36Å; D94-K98 IonicContact OD1-NZ 2.79Å; D94-K98 PolarHBondContact OD1-NZ 3.28Å; D94-K98 IonicContact OD2-NZ 2.74Å; D94-K98 PolarHBondContact OD2-NZ 3.08Å; K98-A100 PolarHBondContact O-N 3.02Å |
| 99 | K | 94.1 | Very high | 90.9 | Very high | 208 Ų | 208 | 132.1 Ų | 132.1 | 90% | 0.904 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 136.4 | 170.8 | -67.4 | -178.1 | -179.5 | 178.7 | 0 | 109.1 | ||
| 100 | A | 93.1 | Very high | 91.1 | Very high | 77 Ų | 77 | 131.5 Ų | 131.5 | 64% | 0.636 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 147.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | K98 K102 | K98-A100 PolarHBondContact O-N 3.02Å; A100-K102 PolarHBondContact O-N 2.96Å |
| 101 | F | 95.8 | Very high | 91.5 | Very high | 183 Ų | 183 | 129.9 Ų | 129.9 | 80% | 0.803 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -56 | 138.9 | 172.9 | 171.9 | -100.6 | 0 | 0 | 0 | 110.9 | ||
| 102 | K | 97.1 | Very high | 91.8 | Very high | 174 Ų | 174 | 134.5 Ų | 134.5 | 76% | 0.757 | 70% | 0.698 | S | S | * | * | trans | -126.3 | 128.1 | 173.1 | -63.7 | -64.6 | -178.8 | -177.6 | 0 | 109 | A100 | A100-K102 PolarHBondContact O-N 2.96Š| ||
| 103 | S | 97.1 | Very high | 92.1 | Very high | 80 Ų | 80 | 129.9 Ų | 129.9 | 56% | 0.559 | 68% | 0.676 | S | S | * | * | trans | -75.1 | 160.9 | 168.6 | 51.9 | 0 | 0 | 0 | 0 | 110.6 | T105 | S103-T105 PolarHBondContact O-N 3.37Š| ||
| 104 | S | 96.8 | Very high | 92.3 | Very high | 96 Ų | 96 | 131.4 Ų | 131.4 | 67% | 0.671 | 68% | 0.681 | S | S | * | * | trans | -63 | 133.7 | 171 | -177.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 105 | T | 96.9 | Very high | 92.5 | Very high | 119 Ų | 119 | 135.2 Ų | 135.2 | 73% | 0.73 | 70% | 0.701 | S | S | * | * | trans | -121.1 | 23.4 | 175.8 | 62.5 | 0 | 0 | 0 | 0 | 111.8 | S103 Q107 | S103-T105 PolarHBondContact O-N 3.37Å; T105-Q107 PolarHBondContact O-N 3.22Å | ||
| 106 | I | 96.6 | Very high | 92.9 | Very high | 144 Ų | 144 | 132 Ų | 132 | 74% | 0.738 | 69% | 0.69 | S | S | * | * | trans | -63.1 | 132.6 | 178.6 | -61.6 | 170 | 0 | 0 | 0 | 108.7 | ||||
| 107 | Q | 95.9 | Very high | 93 | Very high | 148 Ų | 148 | 128 Ų | 128 | 69% | 0.692 | 67% | 0.668 | S | S | * | * | trans | -126.4 | 128 | 176.5 | -66.2 | -178 | 1.3 | 0 | 0 | 109.1 | T105 Q109 | T105-Q107 PolarHBondContact O-N 3.22Å; Q107-Q109 PolarHBondContact O-N 2.91Å | ||
| 108 | D | 93.9 | Very high | 92.9 | Very high | 147 Ų | 147 | 122.3 Ų | 122.3 | 79% | 0.786 | 64% | 0.642 | S | S | * | * | trans | -71.2 | 129.5 | 176.9 | -63.8 | -22.4 | 0 | 0 | 0 | 110 | ||||
| 109 | Q | 93.5 | Very high | 92.8 | Very high | 147 Ų | 147 | 121 Ų | 121 | 69% | 0.687 | 64% | 0.641 | S | S | * | * | trans | -135.8 | 164.1 | -178.9 | -63.4 | -180 | 38.7 | 0 | 0 | 109.2 | Q107 V111 | Q107-Q109 PolarHBondContact O-N 2.91Å; Q109-V111 VanDerWaalsContact C-N 3.27Å; Q109-V111 PolarHBondContact O-N 3.37Å | ||
| 110 | Q | 90.9 | Very high | 92.5 | Very high | 169 Ų | 169 | 111.3 Ų | 111.3 | 79% | 0.79 | 60% | 0.6 | S | S | * | * | trans | 55.3 | 40.8 | -179 | -53.7 | -174.5 | 1.9 | 0 | 0 | 113.2 | V112 S113 | Q110-V112 PolarHBondContact O-N 3.25Å; Q110-S113 WeakPolarHBondContact O-CB 3.5Å; Q110-S113 PolarHBondContact O-N 3.04Å | ||
| 111 | V | 90.1 | Very high | 92.3 | Very high | 106 Ų | 106 | 109.5 Ų | 109.5 | 64% | 0.642 | 58% | 0.581 | S | S | * | * | trans | -62.2 | -16.5 | -174.3 | -59.8 | 0 | 0 | 0 | 0 | 114.4 | Q109 S116 | Q109-V111 VanDerWaalsContact C-N 3.27Å; Q109-V111 PolarHBondContact O-N 3.37Å; V111-S116 WeakPolarHBondContact O-CB 3.29Å; V111-S116 PolarHBondContact O-OG 3.34Å | ||
| 112 | V | 89.4 | Confident | 92.1 | Very high | 140 Ų | 140 | 102 Ų | 102 | 85% | 0.848 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -112.8 | 69.3 | 174.9 | -165.9 | 0 | 0 | 0 | 0 | 109.1 | Q110 | Q110-V112 PolarHBondContact O-N 3.25Š|
| 113 | S | 90.9 | Very high | 91.7 | Very high | 32 Ų | 32 | 96.7 Ų | 96.7 | 22% | 0.224 | 53% | 0.533 | C | S | . | . | S | Bend | trans | -110.3 | 169.1 | 176.2 | 116.6 | 0 | 0 | 0 | 0 | 110 | Q110 N115 S116 | Q110-S113 WeakPolarHBondContact O-CB 3.5Å; Q110-S113 PolarHBondContact O-N 3.04Å; S113-N115 PolarHBondContact O-N 3.18Å; S113-N115 VanDerWaalsContact O-N 3.16Å; S113-N115 PolarHBondContact OG-N 2.9Å; S113-N115 PolarHBondContact OG-OD1 3.45Å; S113-S116 PolarHBondContact N-OG 3.38Å; S113-S116 PolarHBondContact O-N 2.93Å; S113-S116 PolarHBondContact O-OG 2.88Å; S113-S116 VanDerWaalsContact O-OG 3.07Å |
| 114 | K | 90.2 | Very high | 91.3 | Very high | 168 Ų | 168 | 96.2 Ų | 96.2 | 73% | 0.73 | 52% | 0.523 | S | S | * | . | G | 310 helix | trans | -58.3 | -28.6 | 177.8 | -67.5 | -172.1 | 178.1 | -176.3 | 0 | 113.1 | S116 I117 | K114-S116 VanDerWaalsContact C-N 3.35Å; K114-I117 HydrophobicContact CB-CD1 4.43Å; K114-I117 WeakPolarHBondContact O-CG1 3.43Å |
| 115 | N | 89.5 | Confident | 91 | Very high | 145 Ų | 145 | 98.7 Ų | 98.7 | 78% | 0.775 | 52% | 0.519 | S | S | * | . | G | 310 helix | trans | -79.3 | -16 | 179.5 | 68.3 | 11.4 | 0 | 0 | 0 | 113.8 | S113 | S113-N115 PolarHBondContact O-N 3.18Å; S113-N115 VanDerWaalsContact O-N 3.16Å; S113-N115 PolarHBondContact OG-N 2.9Å; S113-N115 PolarHBondContact OG-OD1 3.45Å |
| 116 | S | 90.8 | Very high | 90.8 | Very high | 55 Ų | 55 | 98 Ų | 98 | 39% | 0.385 | 51% | 0.511 | S | S | . | . | G | 310 helix | trans | -100.1 | 7.4 | 178.4 | 65.7 | 0 | 0 | 0 | 0 | 112.4 | V111 S113 K114 P118 | V111-S116 WeakPolarHBondContact O-CB 3.29Å; V111-S116 PolarHBondContact O-OG 3.34Å; S113-S116 PolarHBondContact N-OG 3.38Å; S113-S116 PolarHBondContact O-N 2.93Å; S113-S116 PolarHBondContact O-OG 2.88Å; S113-S116 VanDerWaalsContact O-OG 3.07Å; K114-S116 VanDerWaalsContact C-N 3.35Å; S116-P118 WeakPolarHBondContact O-CD 3.36Å |
| 117 | I | 89.4 | Confident | 90.6 | Very high | 63 Ų | 63 | 97.9 Ų | 97.9 | 32% | 0.323 | 51% | 0.507 | S | S | . | . | trans | -68.9 | 122.5 | 176.2 | -63.1 | 178.1 | 0 | 0 | 0 | 108.9 | K114 V121 A122 | K114-I117 HydrophobicContact CB-CD1 4.43Å; K114-I117 WeakPolarHBondContact O-CG1 3.43Å; I117-V121 HydrophobicContact CG2-CB 3.79Å; I117-V121 HydrophobicContact CG2-CG1 3.81Å; I117-A122 HydrophobicContact CG2-CB 4Å | ||
| 118 | P | 88.9 | Confident | 90.5 | Very high | 38 Ų | 38 | 93.7 Ų | 93.7 | 25% | 0.247 | 49% | 0.494 | C | S | . | . | trans | -63.4 | 145.3 | 174.9 | -21.5 | 33.5 | 0 | 0 | 0 | 111.8 | K5 S116 P120 V121 A122 | K5-P118 HydrophobicContact CD-CG 4.49Å; S116-P118 WeakPolarHBondContact O-CD 3.36Å; P118-P120 VanDerWaalsContact C-CD 3.43Å; P118-P120 VanDerWaalsContact C-N 3.32Å; P118-P120 VanDerWaalsContact O-N 3.14Å; P118-V121 HydrophobicContact CB-CG2 4.41Å; P118-V121 HydrophobicContact CG-CG2 4.39Å; P118-V121 WeakPolarHBondContact O-CA 3.44Å; P118-V121 WeakPolarHBondContact O-CB 3.17Å; P118-V121 PolarHBondContact O-N 3.47Å; P118-A122 PolarHBondContact O-N 2.95Å | ||
| 119 | N | 88.3 | Confident | 90.6 | Very high | 101 Ų | 101 | 94.6 Ų | 94.6 | 54% | 0.54 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -47 | -45 | -179.4 | -66 | -13.3 | 0 | 0 | 0 | 113.9 | V121 A122 D123 | N119-V121 VanDerWaalsContact C-N 3.31Å; N119-V121 PolarHBondContact O-N 3.45Å; N119-A122 WeakPolarHBondContact O-CB 3.34Å; N119-A122 PolarHBondContact O-N 2.97Å; N119-A122 VanDerWaalsContact O-N 3.15Å; N119-D123 PolarHBondContact O-N 3.34Å |
| 120 | P | 88.1 | Confident | 90.7 | Very high | 5 Ų | 5 | 96 Ų | 96 | 3% | 0.032 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -62.9 | -35.6 | 178.1 | -25.4 | 35.7 | 0 | 0 | 0 | 114.4 | K5 R6 P118 D123 I124 | K5-P120 WeakPolarHBondContact O-CB 3.47Å; R6-P120 HydrophobicContact CG-CB 4Å; R6-P120 HydrophobicContact CG-CG 3.76Å; P118-P120 VanDerWaalsContact C-CD 3.43Å; P118-P120 VanDerWaalsContact C-N 3.32Å; P118-P120 VanDerWaalsContact O-N 3.14Å; P120-D123 PolarHBondContact O-N 3.42Å; P120-I124 VanDerWaalsContact O-CG1 3.32Å; P120-I124 WeakPolarHBondContact O-CG1 3.36Å; P120-I124 PolarHBondContact O-N 2.88Å; P120-I124 VanDerWaalsContact O-N 3.15Å |
| 121 | V | 88.9 | Confident | 90.9 | Very high | 39 Ų | 39 | 90.7 Ų | 90.7 | 24% | 0.236 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -73 | -37.1 | 177.9 | -179.9 | 0 | 0 | 0 | 0 | 109.5 | K5 I117 P118 N119 I124 Y125 | K5-V121 HydrophobicContact CG-CG2 4.41Å; I117-V121 HydrophobicContact CG2-CB 3.79Å; I117-V121 HydrophobicContact CG2-CG1 3.81Å; P118-V121 HydrophobicContact CB-CG2 4.41Å; P118-V121 HydrophobicContact CG-CG2 4.39Å; P118-V121 WeakPolarHBondContact O-CA 3.44Å; P118-V121 WeakPolarHBondContact O-CB 3.17Å; P118-V121 PolarHBondContact O-N 3.47Å; N119-V121 VanDerWaalsContact C-N 3.31Å; N119-V121 PolarHBondContact O-N 3.45Å; V121-I124 PolarHBondContact O-N 3.34Å; V121-Y125 VanDerWaalsContact O-CB 3.31Å; V121-Y125 WeakPolarHBondContact O-CB 3.43Å; V121-Y125 PolarHBondContact O-N 3.22Å |
| 122 | A | 90 | Very high | 91.2 | Very high | 27 Ų | 27 | 88.5 Ų | 88.5 | 22% | 0.223 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -62.7 | -42.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | I117 P118 N119 I124 Y125 N126 | I117-A122 HydrophobicContact CG2-CB 4Å; P118-A122 PolarHBondContact O-N 2.95Å; N119-A122 WeakPolarHBondContact O-CB 3.34Å; N119-A122 PolarHBondContact O-N 2.97Å; N119-A122 VanDerWaalsContact O-N 3.15Å; A122-I124 PolarHBondContact O-N 2.91Å; A122-Y125 PolarHBondContact O-N 3.43Å; A122-N126 WeakPolarHBondContact O-CB 3.31Å; A122-N126 PolarHBondContact O-N 3.07Å; A122-N126 PolarHBondContact O-ND2 2.8Å; A122-N126 VanDerWaalsContact O-ND2 3.12Å |
| 123 | D | 88.9 | Confident | 91.5 | Very high | 62 Ų | 62 | 86.4 Ų | 86.4 | 33% | 0.332 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -59.7 | -44.6 | 175.9 | -77.1 | -2.8 | 0 | 0 | 0 | 111.6 | K46 N119 P120 N126 Q127 | K46-D123 IonicContact NZ-OD2 3.15Å; K46-D123 PolarHBondContact NZ-OD2 3.1Å; N119-D123 PolarHBondContact O-N 3.34Å; P120-D123 PolarHBondContact O-N 3.42Å; D123-N126 PolarHBondContact O-N 2.82Å; D123-Q127 WeakPolarHBondContact O-CG 3.43Å; D123-Q127 PolarHBondContact O-N 2.72Å; D123-Q127 PolarHBondContact O-NE2 3.12Å |
| 124 | I | 89.6 | Confident | 91.7 | Very high | 70 Ų | 70 | 87.2 Ų | 87.2 | 36% | 0.359 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -65.6 | -44.1 | 176.4 | -65.9 | 165.1 | 0 | 0 | 0 | 110.7 | P120 V121 A122 N126 Q127 S128 | P120-I124 VanDerWaalsContact O-CG1 3.32Å; P120-I124 WeakPolarHBondContact O-CG1 3.36Å; P120-I124 PolarHBondContact O-N 2.88Å; P120-I124 VanDerWaalsContact O-N 3.15Å; V121-I124 PolarHBondContact O-N 3.34Å; A122-I124 PolarHBondContact O-N 2.91Å; I124-N126 VanDerWaalsContact C-N 3.32Å; I124-N126 PolarHBondContact O-N 3.32Å; I124-Q127 PolarHBondContact O-N 2.98Å; I124-S128 PolarHBondContact O-N 3.43Å; I124-S128 PolarHBondContact O-OG 2.86Å |
| 125 | Y | 91.1 | Very high | 92 | Very high | 147 Ų | 147 | 83 Ų | 83 | 58% | 0.576 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -60.4 | -42 | 178.2 | 178.8 | -98.4 | 0 | 0 | 0 | 111.7 | V121 A122 Q127 S128 | V121-Y125 VanDerWaalsContact O-CB 3.31Å; V121-Y125 WeakPolarHBondContact O-CB 3.43Å; V121-Y125 PolarHBondContact O-N 3.22Å; A122-Y125 PolarHBondContact O-N 3.43Å; Y125-Q127 VanDerWaalsContact C-N 3.32Å; Y125-Q127 PolarHBondContact O-N 2.92Å; Y125-S128 WeakPolarHBondContact O-CB 3.34Å; Y125-S128 PolarHBondContact O-N 2.9Å |
| 126 | N | 92.5 | Very high | 92.3 | Very high | 104 Ų | 104 | 81.5 Ų | 81.5 | 56% | 0.556 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -70.5 | -27.1 | -179.1 | -71.1 | -28.2 | 0 | 0 | 0 | 113.6 | A122 D123 I124 S128 | A122-N126 WeakPolarHBondContact O-CB 3.31Å; A122-N126 PolarHBondContact O-N 3.07Å; A122-N126 PolarHBondContact O-ND2 2.8Å; A122-N126 VanDerWaalsContact O-ND2 3.12Å; D123-N126 PolarHBondContact O-N 2.82Å; I124-N126 VanDerWaalsContact C-N 3.32Å; I124-N126 PolarHBondContact O-N 3.32Å; N126-S128 VanDerWaalsContact C-N 3.34Å |
| 127 | Q | 91 | Very high | 92.5 | Very high | 142 Ų | 142 | 83.4 Ų | 83.4 | 66% | 0.664 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -82.6 | -12.5 | 174.3 | -71.2 | 172 | 78.2 | 0 | 0 | 113.1 | D123 I124 Y125 | D123-Q127 WeakPolarHBondContact O-CG 3.43Å; D123-Q127 PolarHBondContact O-N 2.72Å; D123-Q127 PolarHBondContact O-NE2 3.12Å; I124-Q127 PolarHBondContact O-N 2.98Å; Y125-Q127 VanDerWaalsContact C-N 3.32Å; Y125-Q127 PolarHBondContact O-N 2.92Å |
| 128 | S | 93.5 | Very high | 92.8 | Very high | 60 Ų | 60 | 81.5 Ų | 81.5 | 42% | 0.42 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -76.3 | 157.6 | 179.8 | -59 | 0 | 0 | 0 | 0 | 111.7 | I124 Y125 N126 K130 | I124-S128 PolarHBondContact O-N 3.43Å; I124-S128 PolarHBondContact O-OG 2.86Å; Y125-S128 WeakPolarHBondContact O-CB 3.34Å; Y125-S128 PolarHBondContact O-N 2.9Å; N126-S128 VanDerWaalsContact C-N 3.34Å; S128-K130 PolarHBondContact O-N 3.48Å |
| 129 | D | 96.6 | Very high | 93.2 | Very high | 167 Ų | 167 | 84.7 Ų | 84.7 | 89% | 0.893 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -61.1 | 128.7 | 177.5 | -67.9 | -31.5 | 0 | 0 | 0 | 111.3 | ||
| 130 | K | 95.6 | Very high | 93.6 | Very high | 176 Ų | 176 | 89.1 Ų | 89.1 | 77% | 0.765 | 47% | 0.467 | S | S | * | . | P | Polyproline II helix | trans | -80.5 | 148.2 | 177.7 | -65.5 | 179.6 | -176.3 | 176.7 | 0 | 110 | S128 | S128-K130 PolarHBondContact O-N 3.48Š|
| 131 | P | 95.9 | Very high | 94 | Very high | 58 Ų | 58 | 93 Ų | 93 | 38% | 0.377 | 48% | 0.481 | S | S | . | . | P | Polyproline II helix | trans | -62 | 154.9 | 174.5 | 28.5 | -35.7 | 0 | 0 | 0 | 110.6 | L148 Y151 | P131-L148 HydrophobicContact CB-CD1 3.85Å; P131-L148 HydrophobicContact CG-CD1 4.03Å; P131-Y151 HydrophobicContact CB-CD1 3.99Å; P131-Y151 HydrophobicContact CB-CE1 3.73Å |
| 132 | P | 96.2 | Very high | 94.4 | Very high | 60 Ų | 60 | 99.3 Ų | 99.3 | 39% | 0.39 | 51% | 0.513 | S | S | . | . | P | Polyproline II helix | trans | -53 | 142.7 | 172.6 | -24.3 | 33.8 | 0 | 0 | 0 | 110.8 | L134 | P132-L134 HydrophobicContact CB-CD2 4.26Å; P132-L134 HydrophobicContact CB-CG 4.18Å; P132-L134 PolarHBondContact O-N 3.26Å |
| 133 | P | 95.4 | Very high | 94.6 | Very high | 95 Ų | 95 | 101.1 Ų | 101.1 | 62% | 0.617 | 52% | 0.519 | S | S | * | . | trans | -76.9 | 58.1 | -174.2 | 33.1 | -37.3 | 0 | 0 | 0 | 111.8 | N135 I136 | P133-N135 PolarHBondContact O-N 2.96Å; P133-N135 VanDerWaalsContact O-N 3.1Å; P133-I136 HydrophobicContact CB-CG2 4.49Å; P133-I136 VanDerWaalsContact O-CG1 3.23Å; P133-I136 WeakPolarHBondContact O-CG1 3.15Å; P133-I136 WeakPolarHBondContact O-CG2 3.28Å; P133-I136 PolarHBondContact O-N 2.73Å | ||
| 134 | L | 96.2 | Very high | 94.8 | Very high | 50 Ų | 50 | 107.3 Ų | 107.3 | 26% | 0.262 | 54% | 0.543 | S | S | . | . | G | 310 helix | trans | -64.9 | -15.6 | -176.9 | -60.2 | 178.5 | 0 | 0 | 0 | 113.1 | P132 I136 L137 Y151 | P132-L134 HydrophobicContact CB-CD2 4.26Å; P132-L134 HydrophobicContact CB-CG 4.18Å; P132-L134 PolarHBondContact O-N 3.26Å; L134-I136 PolarHBondContact O-N 2.99Å; L134-L137 HydrophobicContact CD2-CD1 4.1Å; L134-L137 WeakPolarHBondContact O-CB 3.42Å; L134-L137 PolarHBondContact O-N 2.89Å; L134-Y151 HydrophobicContact CD1-CD2 4.33Å; L134-Y151 HydrophobicContact CD1-CG 4.07Å |
| 135 | N | 94.8 | Very high | 95.1 | Very high | 78 Ų | 78 | 110.1 Ų | 110.1 | 42% | 0.417 | 55% | 0.553 | S | S | . | * | G | 310 helix | trans | -59.7 | -24.2 | 174.8 | -71.1 | -4.1 | 0 | 0 | 0 | 113.4 | P133 L137 S138 D146 L148 | P133-N135 PolarHBondContact O-N 2.96Å; P133-N135 VanDerWaalsContact O-N 3.1Å; N135-L137 PolarHBondContact O-N 3.46Å; N135-S138 WeakPolarHBondContact CA-OG 3.32Å; N135-S138 WeakPolarHBondContact O-CB 3.46Å; N135-S138 PolarHBondContact O-N 2.66Å; N135-S138 PolarHBondContact O-OG 3.4Å; N135-D146 PolarHBondContact OD1-OD1 3.15Å; N135-L148 WeakPolarHBondContact OD1-CB 3.32Å; N135-L148 PolarHBondContact OD1-N 3.5Å |
| 136 | I | 96.8 | Very high | 95.3 | Very high | 115 Ų | 115 | 106 Ų | 106 | 59% | 0.59 | 54% | 0.541 | S | S | * | . | G | 310 helix | trans | -65.7 | -22.3 | 175.6 | 72.7 | -169.4 | 0 | 0 | 0 | 112.3 | P133 L134 | P133-I136 HydrophobicContact CB-CG2 4.49Å; P133-I136 VanDerWaalsContact O-CG1 3.23Å; P133-I136 WeakPolarHBondContact O-CG1 3.15Å; P133-I136 WeakPolarHBondContact O-CG2 3.28Å; P133-I136 PolarHBondContact O-N 2.73Å; L134-I136 PolarHBondContact O-N 2.99Å |
| 137 | L | 95.7 | Very high | 95.4 | Very high | 95 Ų | 95 | 101.3 Ų | 101.3 | 50% | 0.497 | 52% | 0.517 | S | S | . | . | G | 310 helix | trans | -91.3 | -15.8 | 179.9 | -64 | 151.3 | 0 | 0 | 0 | 111.9 | L134 N135 P139 Y140 | L134-L137 HydrophobicContact CD2-CD1 4.1Å; L134-L137 WeakPolarHBondContact O-CB 3.42Å; L134-L137 PolarHBondContact O-N 2.89Å; N135-L137 PolarHBondContact O-N 3.46Å; L137-P139 VanDerWaalsContact C-CD 3.42Å; L137-P139 VanDerWaalsContact C-N 3.34Å; L137-Y140 PolarHBondContact O-N 3.45Å |
| 138 | S | 95.6 | Very high | 95.7 | Very high | 22 Ų | 22 | 96.2 Ų | 96.2 | 15% | 0.154 | 49% | 0.494 | C | S | . | . | G | 310 helix | trans | -52.8 | -40.8 | -179 | -56.4 | 0 | 0 | 0 | 0 | 113.7 | N135 Y140 R141 D146 G147 | N135-S138 WeakPolarHBondContact CA-OG 3.32Å; N135-S138 WeakPolarHBondContact O-CB 3.46Å; N135-S138 PolarHBondContact O-N 2.66Å; N135-S138 PolarHBondContact O-OG 3.4Å; S138-Y140 PolarHBondContact O-N 3.33Å; S138-R141 PolarHBondContact O-N 3.29Å; S138-D146 PolarHBondContact OG-OD1 2.91Å; S138-G147 PolarHBondContact OG-N 3.46Å |
| 139 | P | 96.9 | Very high | 95.8 | Very high | 106 Ų | 106 | 97.6 Ų | 97.6 | 69% | 0.688 | 49% | 0.493 | S | S | * | . | G | 310 helix | trans | -64.2 | -20.5 | 177.8 | -24 | 35.9 | 0 | 0 | 0 | 115.1 | L137 | L137-P139 VanDerWaalsContact C-CD 3.42Å; L137-P139 VanDerWaalsContact C-N 3.34Å |
| 140 | Y | 95.9 | Very high | 95.8 | Very high | 193 Ų | 193 | 95.6 Ų | 95.6 | 76% | 0.757 | 48% | 0.476 | S | S | * | . | G | 310 helix | trans | -95.5 | 6.4 | -177.3 | -55.4 | -81.5 | 0 | 0 | 0 | 112.8 | L137 S138 | L137-Y140 PolarHBondContact O-N 3.45Å; S138-Y140 PolarHBondContact O-N 3.33Å |
| 141 | R | 96.1 | Very high | 95.8 | Very high | 88 Ų | 88 | 94.1 Ų | 94.1 | 33% | 0.332 | 47% | 0.467 | S | S | . | . | trans | -92.4 | 135 | -179.5 | -62.5 | -175.8 | 59.1 | 80.5 | 7.7 | 111.8 | S138 D143 K144 K145 F150 | S138-R141 PolarHBondContact O-N 3.29Å; R141-D143 VanDerWaalsContact C-N 3.32Å; R141-D143 WeakPolarHBondContact CB-OD1 3.41Å; R141-D143 IonicContact CZ-OD1 2.92Å; R141-D143 IonicContact CZ-OD2 3.97Å; R141-D143 IonicContact NE-OD1 3.62Å; R141-D143 PolarHBondContact NE-OD1 3.06Å; R141-D143 IonicContact NE-OD2 3.13Å; R141-D143 VanDerWaalsContact NH2-CG 3.31Å; R141-D143 IonicContact NH2-OD1 3.29Å; R141-D143 PolarHBondContact NH2-OD1 2.96Å; R141-D143 IonicContact NH2-OD2 2.72Å; R141-D143 PolarHBondContact NH2-OD2 3.21Å; R141-D143 PolarHBondContact O-N 3.37Å; R141-K144 PolarHBondContact O-N 3.34Å; R141-K145 WeakPolarHBondContact CD-O 3.48Å; R141-F150 VanDerWaalsContact CZ-CE2 3.42Å; R141-F150 VanDerWaalsContact NH2-CE2 3.3Å | ||
| 142 | D | 97.3 | Very high | 95.9 | Very high | 170 Ų | 170 | 94.4 Ų | 94.4 | 91% | 0.909 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -31.1 | 177.5 | -58.5 | -37.3 | 0 | 0 | 0 | 113.1 | K144 | D142-K144 VanDerWaalsContact C-N 3.28Å; D142-K144 PolarHBondContact O-N 3.39Å |
| 143 | D | 95.8 | Very high | 95.9 | Very high | 65 Ų | 65 | 93.5 Ų | 93.5 | 35% | 0.348 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -3.5 | -176.9 | 68.1 | -1.7 | 0 | 0 | 0 | 114.3 | R141 K145 F150 | R141-D143 VanDerWaalsContact C-N 3.32Å; R141-D143 WeakPolarHBondContact CB-OD1 3.41Å; R141-D143 IonicContact CZ-OD1 2.92Å; R141-D143 IonicContact CZ-OD2 3.97Å; R141-D143 IonicContact NE-OD1 3.62Å; R141-D143 PolarHBondContact NE-OD1 3.06Å; R141-D143 IonicContact NE-OD2 3.13Å; R141-D143 VanDerWaalsContact NH2-CG 3.31Å; R141-D143 IonicContact NH2-OD1 3.29Å; R141-D143 PolarHBondContact NH2-OD1 2.96Å; R141-D143 IonicContact NH2-OD2 2.72Å; R141-D143 PolarHBondContact NH2-OD2 3.21Å; R141-D143 PolarHBondContact O-N 3.37Å; D143-K145 HydrophobicContact CB-CD 4.45Å; D143-K145 HydrophobicContact CB-CG 4.22Å; D143-K145 PolarHBondContact O-N 2.88Å; D143-K145 PolarHBondContact OD1-N 2.9Å; D143-K145 VanDerWaalsContact OD1-N 3.08Å; D143-K145 WeakPolarHBondContact OD2-CD 3.46Å; D143-F150 WeakPolarHBondContact OD2-CZ 3.42Å |
| 144 | K | 93.4 | Very high | 95.8 | Very high | 193 Ų | 193 | 93.8 Ų | 93.8 | 84% | 0.839 | 46% | 0.462 | S | S | * | . | trans | 53.6 | 22.2 | -176.6 | -55.2 | -179.2 | -178.8 | 178.7 | 0 | 113.9 | R141 D142 | R141-K144 PolarHBondContact O-N 3.34Å; D142-K144 VanDerWaalsContact C-N 3.28Å; D142-K144 PolarHBondContact O-N 3.39Å | ||
| 145 | K | 94.5 | Very high | 95.8 | Very high | 128 Ų | 128 | 93.3 Ų | 93.3 | 56% | 0.557 | 46% | 0.462 | S | S | * | . | trans | -87.7 | 153.8 | 176.7 | -65.9 | -175.8 | -176.2 | 175.1 | 0 | 110.3 | R141 D143 G147 F150 | R141-K145 WeakPolarHBondContact CD-O 3.48Å; D143-K145 HydrophobicContact CB-CD 4.45Å; D143-K145 HydrophobicContact CB-CG 4.22Å; D143-K145 PolarHBondContact O-N 2.88Å; D143-K145 PolarHBondContact OD1-N 2.9Å; D143-K145 VanDerWaalsContact OD1-N 3.08Å; D143-K145 WeakPolarHBondContact OD2-CD 3.46Å; K145-G147 PolarHBondContact O-N 3.41Å; K145-F150 HydrophobicContact CB-CE2 3.79Å; K145-F150 HydrophobicContact CB-CZ 4.14Å; K145-F150 HydrophobicContact CD-CE2 4.44Å; K145-F150 HydrophobicContact CD-CZ 3.99Å | ||
| 146 | D | 95 | Very high | 95.9 | Very high | 60 Ų | 60 | 95.8 Ų | 95.8 | 32% | 0.321 | 47% | 0.467 | S | S | . | . | trans | -69.7 | 122.1 | 175.8 | -170.9 | 15.7 | 0 | 0 | 0 | 110.8 | N135 S138 L148 K149 F150 | N135-D146 PolarHBondContact OD1-OD1 3.15Å; S138-D146 PolarHBondContact OG-OD1 2.91Å; D146-L148 VanDerWaalsContact C-N 3.26Å; D146-L148 PolarHBondContact O-N 2.98Å; D146-K149 HydrophobicContact CB-CB 4.5Å; D146-K149 HydrophobicContact CB-CD 4.11Å; D146-K149 HydrophobicContact CB-CG 4.1Å; D146-K149 WeakPolarHBondContact O-CB 3.38Å; D146-K149 PolarHBondContact O-N 3.21Å; D146-K149 VanDerWaalsContact O-N 3.09Å; D146-F150 WeakPolarHBondContact O-CD2 3.4Å | ||
| 147 | G | 95.5 | Very high | 95.9 | Very high | 7 Ų | 7 | 98 Ų | 98 | 7% | 0.072 | 47% | 0.472 | C | S | . | . | G | 310 helix | trans | -58.1 | -36 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | S138 K145 K149 F150 | S138-G147 PolarHBondContact OG-N 3.46Å; K145-G147 PolarHBondContact O-N 3.41Å; G147-K149 VanDerWaalsContact C-N 3.3Å; G147-K149 PolarHBondContact O-N 2.91Å; G147-F150 PolarHBondContact O-N 3.07Å |
| 148 | L | 96.5 | Very high | 96 | Very high | 34 Ų | 34 | 99.3 Ų | 99.3 | 18% | 0.178 | 47% | 0.474 | C | S | . | . | G | 310 helix | trans | -67.6 | -28.4 | 178.2 | -179 | 66.8 | 0 | 0 | 0 | 112.9 | P131 N135 D146 F150 Y151 T152 | P131-L148 HydrophobicContact CB-CD1 3.85Å; P131-L148 HydrophobicContact CG-CD1 4.03Å; N135-L148 WeakPolarHBondContact OD1-CB 3.32Å; N135-L148 PolarHBondContact OD1-N 3.5Å; D146-L148 VanDerWaalsContact C-N 3.26Å; D146-L148 PolarHBondContact O-N 2.98Å; L148-F150 PolarHBondContact O-N 3.1Å; L148-Y151 HydrophobicContact CD1-CD1 4.21Å; L148-Y151 CarbonylContact O-C 3.59Å; L148-Y151 WeakPolarHBondContact O-CA 3.44Å; L148-Y151 WeakPolarHBondContact O-CB 3.32Å; L148-Y151 PolarHBondContact O-N 3.09Å; L148-T152 HydrophobicContact CD1-CG2 3.85Å; L148-T152 HydrophobicContact CG-CG2 3.94Å; L148-T152 PolarHBondContact O-N 2.9Å; L148-T152 VanDerWaalsContact O-O 3.12Å |
| 149 | K | 96.4 | Very high | 96.1 | Very high | 90 Ų | 90 | 101.7 Ų | 101.7 | 39% | 0.391 | 49% | 0.485 | S | S | . | . | G | 310 helix | trans | -62.5 | -23.3 | 176.8 | -75.2 | -179.2 | 158.9 | -99.1 | 0 | 113.3 | D146 G147 Y151 T152 D153 S155 | D146-K149 HydrophobicContact CB-CB 4.5Å; D146-K149 HydrophobicContact CB-CD 4.11Å; D146-K149 HydrophobicContact CB-CG 4.1Å; D146-K149 WeakPolarHBondContact O-CB 3.38Å; D146-K149 PolarHBondContact O-N 3.21Å; D146-K149 VanDerWaalsContact O-N 3.09Å; G147-K149 VanDerWaalsContact C-N 3.3Å; G147-K149 PolarHBondContact O-N 2.91Å; K149-Y151 VanDerWaalsContact C-N 3.27Å; K149-T152 WeakPolarHBondContact CA-O 3.35Å; K149-D153 HydrophobicContact CB-CB 4.18Å; K149-D153 HydrophobicContact CG-CB 4.25Å; K149-D153 VanDerWaalsContact NZ-CG 3.27Å; K149-D153 IonicContact NZ-OD1 2.82Å; K149-D153 PolarHBondContact NZ-OD1 2.77Å; K149-D153 IonicContact NZ-OD2 3.48Å; K149-D153 PolarHBondContact NZ-OD2 2.91Å; K149-S155 PolarHBondContact NZ-OG 3.03Å; K149-S155 VanDerWaalsContact NZ-OG 3.13Å |
| 150 | F | 95.4 | Very high | 96.1 | Very high | 124 Ų | 124 | 100.5 Ų | 100.5 | 54% | 0.544 | 47% | 0.473 | S | S | . | . | G | 310 helix | trans | -74.8 | -18.8 | 173 | -67 | -92.2 | 0 | 0 | 0 | 113.2 | R141 D143 K145 D146 G147 L148 | R141-F150 VanDerWaalsContact CZ-CE2 3.42Å; R141-F150 VanDerWaalsContact NH2-CE2 3.3Å; D143-F150 WeakPolarHBondContact OD2-CZ 3.42Å; K145-F150 HydrophobicContact CB-CE2 3.79Å; K145-F150 HydrophobicContact CB-CZ 4.14Å; K145-F150 HydrophobicContact CD-CE2 4.44Å; K145-F150 HydrophobicContact CD-CZ 3.99Å; D146-F150 WeakPolarHBondContact O-CD2 3.4Å; G147-F150 PolarHBondContact O-N 3.07Å; L148-F150 PolarHBondContact O-N 3.1Å |
| 151 | Y | 97.1 | Very high | 96.2 | Very high | 145 Ų | 145 | 96.4 Ų | 96.4 | 57% | 0.569 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | -44.8 | 175.4 | 179.8 | -93.4 | 0 | 0 | 0 | 111.7 | P131 L134 L148 K149 | P131-Y151 HydrophobicContact CB-CD1 3.99Å; P131-Y151 HydrophobicContact CB-CE1 3.73Å; L134-Y151 HydrophobicContact CD1-CD2 4.33Å; L134-Y151 HydrophobicContact CD1-CG 4.07Å; L148-Y151 HydrophobicContact CD1-CD1 4.21Å; L148-Y151 CarbonylContact O-C 3.59Å; L148-Y151 WeakPolarHBondContact O-CA 3.44Å; L148-Y151 WeakPolarHBondContact O-CB 3.32Å; L148-Y151 PolarHBondContact O-N 3.09Å; K149-Y151 VanDerWaalsContact C-N 3.27Å |
| 152 | T | 96.7 | Very high | 96.2 | Very high | 64 Ų | 64 | 97.9 Ų | 97.9 | 39% | 0.393 | 47% | 0.465 | S | S | . | . | trans | -149.3 | 122.9 | 177.8 | -173.9 | 0 | 0 | 0 | 0 | 110.5 | L148 K149 | L148-T152 HydrophobicContact CD1-CG2 3.85Å; L148-T152 HydrophobicContact CG-CG2 3.94Å; L148-T152 PolarHBondContact O-N 2.9Å; L148-T152 VanDerWaalsContact O-O 3.12Å; K149-T152 WeakPolarHBondContact CA-O 3.35Å | ||
| 153 | D | 96.4 | Very high | 96.3 | Very high | 42 Ų | 42 | 96.1 Ų | 96.1 | 23% | 0.225 | 45% | 0.451 | C | S | . | . | trans | -128.1 | 100.6 | 174.4 | -168.6 | -2.5 | 0 | 0 | 0 | 111.1 | K149 S155 Y156 | K149-D153 HydrophobicContact CB-CB 4.18Å; K149-D153 HydrophobicContact CG-CB 4.25Å; K149-D153 VanDerWaalsContact NZ-CG 3.27Å; K149-D153 IonicContact NZ-OD1 2.82Å; K149-D153 PolarHBondContact NZ-OD1 2.77Å; K149-D153 IonicContact NZ-OD2 3.48Å; K149-D153 PolarHBondContact NZ-OD2 2.91Å; D153-S155 PolarHBondContact O-N 3Å; D153-S155 PolarHBondContact OD1-N 2.79Å; D153-S155 PolarHBondContact OD1-OG 2.89Å; D153-Y156 VanDerWaalsContact O-CB 3.27Å; D153-Y156 WeakPolarHBondContact O-CB 3.25Å; D153-Y156 PolarHBondContact O-N 3.44Å | ||
| 154 | P | 94.6 | Very high | 96.4 | Very high | 101 Ų | 101 | 98.4 Ų | 98.4 | 66% | 0.656 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -22.9 | 176.5 | -23.9 | 34.9 | 0 | 0 | 0 | 114.2 | Y156 | P154-Y156 VanDerWaalsContact C-N 3.33Š|
| 155 | S | 95.5 | Very high | 96.6 | Very high | 39 Ų | 39 | 91.2 Ų | 91.2 | 27% | 0.273 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -16.5 | 179.7 | 74.5 | 0 | 0 | 0 | 0 | 113 | K149 D153 F157 F158 D159 | K149-S155 PolarHBondContact NZ-OG 3.03Å; K149-S155 VanDerWaalsContact NZ-OG 3.13Å; D153-S155 PolarHBondContact O-N 3Å; D153-S155 PolarHBondContact OD1-N 2.79Å; D153-S155 PolarHBondContact OD1-OG 2.89Å; S155-F157 VanDerWaalsContact C-N 3.31Å; S155-F157 PolarHBondContact O-N 3.13Å; S155-F157 VanDerWaalsContact O-N 3.15Å; S155-F158 PolarHBondContact O-N 2.7Å; S155-D159 VanDerWaalsContact CB-OD2 3.32Å; S155-D159 WeakPolarHBondContact CB-OD2 3.49Å; S155-D159 VanDerWaalsContact O-CG 3.3Å; S155-D159 PolarHBondContact O-N 2.95Å; S155-D159 PolarHBondContact OG-OD2 3.35Å |
| 156 | Y | 97.1 | Very high | 96.7 | Very high | 130 Ų | 130 | 90.6 Ų | 90.6 | 51% | 0.51 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -49.1 | -46.8 | -174.9 | 177.1 | -99.7 | 0 | 0 | 0 | 113.8 | D153 P154 F158 D159 L160 | D153-Y156 VanDerWaalsContact O-CB 3.27Å; D153-Y156 WeakPolarHBondContact O-CB 3.25Å; D153-Y156 PolarHBondContact O-N 3.44Å; P154-Y156 VanDerWaalsContact C-N 3.33Å; Y156-F158 PolarHBondContact O-N 3.31Å; Y156-D159 PolarHBondContact O-N 3.28Å; Y156-L160 HydrophobicContact CE1-CD2 4.06Å; Y156-L160 VanDerWaalsContact O-CB 3.27Å; Y156-L160 WeakPolarHBondContact O-CB 3.44Å; Y156-L160 PolarHBondContact O-N 3.01Å |
| 157 | F | 96.8 | Very high | 96.9 | Very high | 162 Ų | 162 | 92.4 Ų | 92.4 | 71% | 0.711 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -63.3 | -42 | -178.5 | -64.4 | -72.9 | 0 | 0 | 0 | 112.5 | S155 W161 | S155-F157 VanDerWaalsContact C-N 3.31Å; S155-F157 PolarHBondContact O-N 3.13Å; S155-F157 VanDerWaalsContact O-N 3.15Å; F157-W161 VanDerWaalsContact O-CB 3.22Å; F157-W161 WeakPolarHBondContact O-CB 3.46Å; F157-W161 PolarHBondContact O-N 2.91Å |
| 158 | F | 96.5 | Very high | 96.9 | Very high | 122 Ų | 122 | 95.3 Ų | 95.3 | 54% | 0.535 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -71 | -42.8 | 178.5 | 176.9 | -98.6 | 0 | 0 | 0 | 111 | S155 Y156 W161 K162 | S155-F158 PolarHBondContact O-N 2.7Å; Y156-F158 PolarHBondContact O-N 3.31Å; F158-W161 AromaticContact CD2-CE3 3.9Å; F158-W161 HydrophobicContact CD2-CE3 3.9Å; F158-W161 HydrophobicContact CD2-CZ3 4.13Å; F158-W161 AromaticContact CE2-CE3 3.83Å; F158-W161 HydrophobicContact CE2-CE3 3.83Å; F158-W161 AromaticContact CE2-CZ3 3.59Å; F158-W161 HydrophobicContact CE2-CZ3 3.59Å; F158-W161 HydrophobicContact CZ-CZ3 4.31Å; F158-W161 PolarHBondContact O-N 3.22Å; F158-K162 HydrophobicContact CE1-CD 4.22Å; F158-K162 VanDerWaalsContact O-CB 3.25Å; F158-K162 WeakPolarHBondContact O-CB 3.45Å; F158-K162 PolarHBondContact O-N 3.19Å |
| 159 | D | 97.6 | Very high | 97 | Very high | 72 Ų | 72 | 95.2 Ų | 95.2 | 39% | 0.385 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -61.9 | -46.7 | -179.8 | -65.7 | -30 | 0 | 0 | 0 | 110.8 | S155 Y156 K162 E163 | S155-D159 VanDerWaalsContact CB-OD2 3.32Å; S155-D159 WeakPolarHBondContact CB-OD2 3.49Å; S155-D159 VanDerWaalsContact O-CG 3.3Å; S155-D159 PolarHBondContact O-N 2.95Å; S155-D159 PolarHBondContact OG-OD2 3.35Å; Y156-D159 PolarHBondContact O-N 3.28Å; D159-K162 PolarHBondContact O-N 3.15Å; D159-E163 WeakPolarHBondContact O-CB 3.49Å; D159-E163 PolarHBondContact O-N 3.49Å |
| 160 | L | 97.5 | Very high | 97 | Very high | 81 Ų | 81 | 94 Ų | 94 | 42% | 0.424 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -64.5 | -42.3 | 176.5 | -175.4 | 65.7 | 0 | 0 | 0 | 112.2 | Y156 K164 | Y156-L160 HydrophobicContact CE1-CD2 4.06Å; Y156-L160 VanDerWaalsContact O-CB 3.27Å; Y156-L160 WeakPolarHBondContact O-CB 3.44Å; Y156-L160 PolarHBondContact O-N 3.01Å; L160-K164 WeakPolarHBondContact O-CB 3.31Å; L160-K164 PolarHBondContact O-N 3.36Å |
| 161 | W | 97.9 | Very high | 97.1 | Very high | 107 Ų | 107 | 91.6 Ų | 91.6 | 41% | 0.405 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62.4 | -46.2 | 175.9 | 168.8 | 81 | 0 | 0 | 0 | 111.4 | F157 F158 E163 K164 M165 L478 | F157-W161 VanDerWaalsContact O-CB 3.22Å; F157-W161 WeakPolarHBondContact O-CB 3.46Å; F157-W161 PolarHBondContact O-N 2.91Å; F158-W161 AromaticContact CD2-CE3 3.9Å; F158-W161 HydrophobicContact CD2-CE3 3.9Å; F158-W161 HydrophobicContact CD2-CZ3 4.13Å; F158-W161 AromaticContact CE2-CE3 3.83Å; F158-W161 HydrophobicContact CE2-CE3 3.83Å; F158-W161 AromaticContact CE2-CZ3 3.59Å; F158-W161 HydrophobicContact CE2-CZ3 3.59Å; F158-W161 HydrophobicContact CZ-CZ3 4.31Å; F158-W161 PolarHBondContact O-N 3.22Å; W161-E163 PolarHBondContact O-N 3.49Å; W161-K164 PolarHBondContact O-N 3.29Å; W161-M165 HydrophobicContact CD2-CG 4.05Å; W161-M165 VanDerWaalsContact CE2-CG 3.5Å; W161-M165 HydrophobicContact CG-CG 4.37Å; W161-M165 HydrophobicContact CH2-CG 4.49Å; W161-M165 HydrophobicContact CZ2-CG 3.77Å; W161-M165 VanDerWaalsContact O-CG 3.31Å; W161-M165 WeakPolarHBondContact O-CG 3.39Å; W161-M165 PolarHBondContact O-N 3.39Å; W161-L478 HydrophobicContact CH2-CD1 4.46Å |
| 162 | K | 97.6 | Very high | 97 | Very high | 119 Ų | 119 | 92.1 Ų | 92.1 | 52% | 0.517 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -59.9 | -47.8 | 178.8 | 176.2 | -173.9 | 173.4 | -174.3 | 0 | 110.9 | F158 D159 K164 M165 L166 | F158-K162 HydrophobicContact CE1-CD 4.22Å; F158-K162 VanDerWaalsContact O-CB 3.25Å; F158-K162 WeakPolarHBondContact O-CB 3.45Å; F158-K162 PolarHBondContact O-N 3.19Å; D159-K162 PolarHBondContact O-N 3.15Å; K162-K164 VanDerWaalsContact C-N 3.34Å; K162-K164 PolarHBondContact O-N 3.33Å; K162-M165 PolarHBondContact O-N 2.81Å; K162-L166 PolarHBondContact O-N 2.95Å |
| 163 | E | 98 | Very high | 97 | Very high | 134 Ų | 134 | 92.7 Ų | 92.7 | 63% | 0.626 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -56.5 | -49.4 | 175.9 | -178.5 | 179.1 | -171.7 | 0 | 0 | 110.9 | D159 W161 M165 L166 Q167 | D159-E163 WeakPolarHBondContact O-CB 3.49Å; D159-E163 PolarHBondContact O-N 3.49Å; W161-E163 PolarHBondContact O-N 3.49Å; E163-M165 PolarHBondContact O-N 3.03Å; E163-L166 PolarHBondContact O-N 3.32Å; E163-Q167 WeakPolarHBondContact O-CB 3.22Å; E163-Q167 PolarHBondContact O-N 3.3Å |
| 164 | K | 97.8 | Very high | 97 | Very high | 113 Ų | 113 | 96.1 Ų | 96.1 | 49% | 0.491 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -59.1 | -45.5 | 177.6 | 178.6 | 171 | 171.2 | 41.3 | 0 | 112.7 | L160 W161 K162 L166 Q167 D168 | L160-K164 WeakPolarHBondContact O-CB 3.31Å; L160-K164 PolarHBondContact O-N 3.36Å; W161-K164 PolarHBondContact O-N 3.29Å; K162-K164 VanDerWaalsContact C-N 3.34Å; K162-K164 PolarHBondContact O-N 3.33Å; K164-L166 VanDerWaalsContact C-N 3.3Å; K164-L166 PolarHBondContact O-N 3.25Å; K164-Q167 PolarHBondContact O-N 2.59Å; K164-D168 IonicContact NZ-OD1 2.83Å; K164-D168 PolarHBondContact NZ-OD1 3.04Å; K164-D168 VanDerWaalsContact NZ-OD1 3.08Å; K164-D168 IonicContact NZ-OD2 3.82Å; K164-D168 PolarHBondContact NZ-OD2 3.26Å; K164-D168 WeakPolarHBondContact O-CB 3.47Å; K164-D168 PolarHBondContact O-N 2.96Å |
| 165 | M | 97.3 | Very high | 97 | Very high | 42 Ų | 42 | 94.4 Ų | 94.4 | 21% | 0.207 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -64.4 | -36.3 | -179.9 | -68.8 | -60 | 92 | 0 | 0 | 112.3 | W161 K162 E163 D168 T169 A475 | W161-M165 HydrophobicContact CD2-CG 4.05Å; W161-M165 VanDerWaalsContact CE2-CG 3.5Å; W161-M165 HydrophobicContact CG-CG 4.37Å; W161-M165 HydrophobicContact CH2-CG 4.49Å; W161-M165 HydrophobicContact CZ2-CG 3.77Å; W161-M165 VanDerWaalsContact O-CG 3.31Å; W161-M165 WeakPolarHBondContact O-CG 3.39Å; W161-M165 PolarHBondContact O-N 3.39Å; K162-M165 PolarHBondContact O-N 2.81Å; E163-M165 PolarHBondContact O-N 3.03Å; M165-D168 WeakPolarHBondContact CE-OD2 3.24Å; M165-T169 WeakPolarHBondContact O-CB 3.38Å; M165-T169 PolarHBondContact O-N 3.33Å; M165-T169 PolarHBondContact O-OG1 2.85Å; M165-A475 HydrophobicContact SD-CB 4.07Å |
| 166 | L | 97.9 | Very high | 97 | Very high | 115 Ų | 115 | 100.3 Ų | 100.3 | 60% | 0.602 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -69.5 | -42.1 | 177.1 | -147.4 | 69.4 | 0 | 0 | 0 | 111.2 | K162 E163 K164 T169 E170 | K162-L166 PolarHBondContact O-N 2.95Å; E163-L166 PolarHBondContact O-N 3.32Å; K164-L166 VanDerWaalsContact C-N 3.3Å; K164-L166 PolarHBondContact O-N 3.25Å; L166-T169 WeakPolarHBondContact O-CB 3.39Å; L166-T169 PolarHBondContact O-N 3.43Å; L166-E170 PolarHBondContact O-N 3.02Å |
| 167 | Q | 97.8 | Very high | 96.8 | Very high | 98 Ų | 98 | 102 Ų | 102 | 46% | 0.458 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.3 | -48.4 | 174.6 | -174.1 | 59.6 | 46.8 | 0 | 0 | 111.8 | E163 K164 T169 E170 D171 | E163-Q167 WeakPolarHBondContact O-CB 3.22Å; E163-Q167 PolarHBondContact O-N 3.3Å; K164-Q167 PolarHBondContact O-N 2.59Å; Q167-T169 PolarHBondContact O-N 2.88Å; Q167-E170 WeakPolarHBondContact O-CB 3.41Å; Q167-E170 PolarHBondContact O-N 3.11Å; Q167-E170 VanDerWaalsContact O-N 3.11Å; Q167-D171 PolarHBondContact NE2-OD1 3.05Å; Q167-D171 PolarHBondContact NE2-OD2 2.82Å; Q167-D171 PolarHBondContact O-N 3.03Å |
| 168 | D | 97.4 | Very high | 96.7 | Very high | 68 Ų | 68 | 101.5 Ų | 101.5 | 36% | 0.364 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60.4 | -34.8 | 177.7 | -70.5 | -13.1 | 0 | 0 | 0 | 111 | K164 M165 K172 | K164-D168 IonicContact NZ-OD1 2.83Å; K164-D168 PolarHBondContact NZ-OD1 3.04Å; K164-D168 VanDerWaalsContact NZ-OD1 3.08Å; K164-D168 IonicContact NZ-OD2 3.82Å; K164-D168 PolarHBondContact NZ-OD2 3.26Å; K164-D168 WeakPolarHBondContact O-CB 3.47Å; K164-D168 PolarHBondContact O-N 2.96Å; M165-D168 WeakPolarHBondContact CE-OD2 3.24Å; D168-K172 VanDerWaalsContact O-CB 3.24Å; D168-K172 WeakPolarHBondContact O-CB 3.46Å; D168-K172 PolarHBondContact O-N 3.19Å |
| 169 | T | 97.1 | Very high | 96.4 | Very high | 31 Ų | 31 | 99.7 Ų | 99.7 | 19% | 0.19 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -66.7 | -43.9 | 175.1 | -59.8 | 0 | 0 | 0 | 0 | 111.7 | M165 L166 Q167 K172 R173 I482 | M165-T169 WeakPolarHBondContact O-CB 3.38Å; M165-T169 PolarHBondContact O-N 3.33Å; M165-T169 PolarHBondContact O-OG1 2.85Å; L166-T169 WeakPolarHBondContact O-CB 3.39Å; L166-T169 PolarHBondContact O-N 3.43Å; Q167-T169 PolarHBondContact O-N 2.88Å; T169-K172 PolarHBondContact O-N 3.43Å; T169-R173 PolarHBondContact O-N 3.03Å; T169-I482 HydrophobicContact CG2-CD1 4.42Å; T169-I482 HydrophobicContact CG2-CG2 4.36Å |
| 170 | E | 96.6 | Very high | 96.1 | Very high | 65 Ų | 65 | 102.8 Ų | 102.8 | 30% | 0.304 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.2 | -46.5 | 176.9 | -172.4 | 61.2 | -121.3 | 0 | 0 | 111.6 | L166 Q167 K172 R173 K174 | L166-E170 PolarHBondContact O-N 3.02Å; Q167-E170 WeakPolarHBondContact O-CB 3.41Å; Q167-E170 PolarHBondContact O-N 3.11Å; Q167-E170 VanDerWaalsContact O-N 3.11Å; E170-K172 VanDerWaalsContact C-N 3.31Å; E170-K172 PolarHBondContact O-N 3.27Å; E170-R173 WeakPolarHBondContact O-CB 3.4Å; E170-R173 PolarHBondContact O-N 2.89Å; E170-R173 VanDerWaalsContact O-N 3.1Å; E170-R173 IonicContact OE1-NH1 3.84Å; E170-R173 PolarHBondContact OE1-NH1 3.46Å; E170-R173 IonicContact OE2-CZ 3.39Å; E170-R173 IonicContact OE2-NH1 2.67Å; E170-R173 PolarHBondContact OE2-NH1 3.4Å; E170-K174 HydrophobicContact CG-CD 4.24Å; E170-K174 WeakPolarHBondContact O-CG 3.41Å; E170-K174 PolarHBondContact O-N 3.2Å; E170-K174 WeakPolarHBondContact OE1-CE 3.5Å |
| 171 | D | 97 | Very high | 95.7 | Very high | 74 Ų | 74 | 104.8 Ų | 104.8 | 40% | 0.396 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.5 | -39.5 | 180 | -69.6 | -20.8 | 0 | 0 | 0 | 111.1 | Q167 R173 K174 E175 | Q167-D171 PolarHBondContact NE2-OD1 3.05Å; Q167-D171 PolarHBondContact NE2-OD2 2.82Å; Q167-D171 PolarHBondContact O-N 3.03Å; D171-R173 VanDerWaalsContact C-N 3.33Å; D171-R173 PolarHBondContact O-N 3.34Å; D171-K174 PolarHBondContact O-N 3.15Å; D171-E175 VanDerWaalsContact O-CB 3.31Å; D171-E175 WeakPolarHBondContact O-CB 3.42Å; D171-E175 PolarHBondContact O-N 3.5Å |
| 172 | K | 96.9 | Very high | 95 | Very high | 155 Ų | 155 | 105.2 Ų | 105.2 | 67% | 0.674 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -65.3 | -36.1 | 174.4 | -166.6 | 157.4 | -175.5 | 168.7 | 0 | 112.3 | D168 T169 E170 K176 | D168-K172 VanDerWaalsContact O-CB 3.24Å; D168-K172 WeakPolarHBondContact O-CB 3.46Å; D168-K172 PolarHBondContact O-N 3.19Å; T169-K172 PolarHBondContact O-N 3.43Å; E170-K172 VanDerWaalsContact C-N 3.31Å; E170-K172 PolarHBondContact O-N 3.27Å; K172-K176 WeakPolarHBondContact O-CB 3.47Å; K172-K176 PolarHBondContact O-N 3.01Å; K172-K176 VanDerWaalsContact O-N 3.16Å |
| 173 | R | 95.6 | Very high | 94.3 | Very high | 76 Ų | 76 | 107 Ų | 107 | 29% | 0.287 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.6 | -47.1 | 173.7 | -168.7 | -169.5 | -64.2 | 113.5 | -6.5 | 111.1 | T169 E170 D171 K176 R177 | T169-R173 PolarHBondContact O-N 3.03Å; E170-R173 WeakPolarHBondContact O-CB 3.4Å; E170-R173 PolarHBondContact O-N 2.89Å; E170-R173 VanDerWaalsContact O-N 3.1Å; E170-R173 IonicContact OE1-NH1 3.84Å; E170-R173 PolarHBondContact OE1-NH1 3.46Å; E170-R173 IonicContact OE2-CZ 3.39Å; E170-R173 IonicContact OE2-NH1 2.67Å; E170-R173 PolarHBondContact OE2-NH1 3.4Å; D171-R173 VanDerWaalsContact C-N 3.33Å; D171-R173 PolarHBondContact O-N 3.34Å; R173-K176 PolarHBondContact O-N 3.1Å; R173-R177 PolarHBondContact O-N 3.13Å |
| 174 | K | 96.8 | Very high | 93.2 | Very high | 115 Ų | 115 | 109.2 Ų | 109.2 | 50% | 0.5 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.1 | -43.3 | 179 | -72.5 | 174.8 | -179.5 | 169.1 | 0 | 112.1 | E170 D171 K176 R177 R178 | E170-K174 HydrophobicContact CG-CD 4.24Å; E170-K174 WeakPolarHBondContact O-CG 3.41Å; E170-K174 PolarHBondContact O-N 3.2Å; E170-K174 WeakPolarHBondContact OE1-CE 3.5Å; D171-K174 PolarHBondContact O-N 3.15Å; K174-K176 VanDerWaalsContact C-N 3.33Å; K174-K176 PolarHBondContact O-N 3.42Å; K174-R177 WeakPolarHBondContact O-CB 3.25Å; K174-R177 PolarHBondContact O-N 3.08Å; K174-R177 VanDerWaalsContact O-N 3.15Å; K174-R178 PolarHBondContact O-N 3.5Å |
| 175 | E | 95.3 | Very high | 92 | Very high | 64 Ų | 64 | 107.9 Ų | 107.9 | 30% | 0.299 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.7 | -39.7 | 177.4 | -179.8 | 55.5 | -158.9 | 0 | 0 | 111.8 | D171 R177 R178 Q179 | D171-E175 VanDerWaalsContact O-CB 3.31Å; D171-E175 WeakPolarHBondContact O-CB 3.42Å; D171-E175 PolarHBondContact O-N 3.5Å; E175-R177 VanDerWaalsContact C-N 3.33Å; E175-R177 PolarHBondContact O-N 2.98Å; E175-R178 VanDerWaalsContact CD-NH2 3.27Å; E175-R178 PolarHBondContact O-N 2.77Å; E175-R178 IonicContact OE1-CZ 3.39Å; E175-R178 IonicContact OE1-NE 3.64Å; E175-R178 IonicContact OE1-NH2 3.17Å; E175-R178 PolarHBondContact OE1-NH2 3Å; E175-R178 IonicContact OE2-CZ 2.94Å; E175-R178 IonicContact OE2-NE 2.78Å; E175-R178 PolarHBondContact OE2-NE 3.41Å; E175-R178 IonicContact OE2-NH2 3.8Å; E175-R178 PolarHBondContact OE2-NH2 3.14Å; E175-Q179 WeakPolarHBondContact O-CG 3.14Å; E175-Q179 PolarHBondContact O-N 3.38Å; E175-Q179 WeakPolarHBondContact OE1-CG 3.36Å; E175-Q179 PolarHBondContact OE1-NE2 3.35Å |
| 176 | K | 95.2 | Very high | 90.4 | Very high | 163 Ų | 163 | 109.1 Ų | 109.1 | 71% | 0.709 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -61.4 | -39.4 | 174.3 | -171.5 | -178.9 | 178.6 | -174.2 | 0 | 112.1 | K172 R173 K174 K180 | K172-K176 WeakPolarHBondContact O-CB 3.47Å; K172-K176 PolarHBondContact O-N 3.01Å; K172-K176 VanDerWaalsContact O-N 3.16Å; R173-K176 PolarHBondContact O-N 3.1Å; K174-K176 VanDerWaalsContact C-N 3.33Å; K174-K176 PolarHBondContact O-N 3.42Å; K176-K180 PolarHBondContact O-N 3.16Å; K176-K180 VanDerWaalsContact O-N 3.13Å |
| 177 | R | 93.2 | Very high | 88.5 | Confident | 166 Ų | 166 | 106 Ų | 106 | 63% | 0.626 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64.8 | -47.4 | 174.9 | -70.6 | -179.9 | 176.7 | -179.1 | -1.8 | 111 | R173 K174 E175 Q179 K180 E181 | R173-R177 PolarHBondContact O-N 3.13Å; K174-R177 WeakPolarHBondContact O-CB 3.25Å; K174-R177 PolarHBondContact O-N 3.08Å; K174-R177 VanDerWaalsContact O-N 3.15Å; E175-R177 VanDerWaalsContact C-N 3.33Å; E175-R177 PolarHBondContact O-N 2.98Å; R177-Q179 PolarHBondContact O-N 2.98Å; R177-K180 WeakPolarHBondContact O-CB 3.37Å; R177-K180 PolarHBondContact O-N 3.49Å; R177-K180 VanDerWaalsContact O-N 3.14Å; R177-E181 PolarHBondContact O-N 2.86Å |
| 178 | R | 93.5 | Very high | 86.7 | Confident | 152 Ų | 152 | 107 Ų | 107 | 57% | 0.574 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60.2 | -41.5 | 177.4 | -167 | -178.4 | 68.9 | 133.9 | 6.9 | 112.6 | K174 E175 E181 Q182 | K174-R178 PolarHBondContact O-N 3.5Å; E175-R178 VanDerWaalsContact CD-NH2 3.27Å; E175-R178 PolarHBondContact O-N 2.77Å; E175-R178 IonicContact OE1-CZ 3.39Å; E175-R178 IonicContact OE1-NE 3.64Å; E175-R178 IonicContact OE1-NH2 3.17Å; E175-R178 PolarHBondContact OE1-NH2 3Å; E175-R178 IonicContact OE2-CZ 2.94Å; E175-R178 IonicContact OE2-NE 2.78Å; E175-R178 PolarHBondContact OE2-NE 3.41Å; E175-R178 IonicContact OE2-NH2 3.8Å; E175-R178 PolarHBondContact OE2-NH2 3.14Å; R178-E181 PolarHBondContact O-N 3.49Å; R178-Q182 WeakPolarHBondContact O-CB 3.45Å; R178-Q182 PolarHBondContact O-N 3.4Å |
| 179 | Q | 90.8 | Very high | 84.5 | Confident | 84 Ų | 84 | 109 Ų | 109 | 39% | 0.393 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.1 | -36.5 | 175.4 | -72.2 | -177.7 | 25.9 | 0 | 0 | 112.9 | E175 R177 K183 | E175-Q179 WeakPolarHBondContact O-CG 3.14Å; E175-Q179 PolarHBondContact O-N 3.38Å; E175-Q179 WeakPolarHBondContact OE1-CG 3.36Å; E175-Q179 PolarHBondContact OE1-NE2 3.35Å; R177-Q179 PolarHBondContact O-N 2.98Å; Q179-K183 WeakPolarHBondContact O-CB 3.47Å; Q179-K183 VanDerWaalsContact O-CG 3.25Å; Q179-K183 WeakPolarHBondContact O-CG 3.47Å; Q179-K183 PolarHBondContact O-N 2.91Å |
| 180 | K | 91.3 | Very high | 82.5 | Confident | 136 Ų | 136 | 116.1 Ų | 116.1 | 59% | 0.591 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.9 | -41.8 | 174.8 | -174.8 | -179.7 | 178.5 | -177.3 | 0 | 110.8 | K176 R177 K183 R184 | K176-K180 PolarHBondContact O-N 3.16Å; K176-K180 VanDerWaalsContact O-N 3.13Å; R177-K180 WeakPolarHBondContact O-CB 3.37Å; R177-K180 PolarHBondContact O-N 3.49Å; R177-K180 VanDerWaalsContact O-N 3.14Å; K180-K183 PolarHBondContact O-N 3.25Å; K180-R184 PolarHBondContact O-N 2.87Å; K180-R184 VanDerWaalsContact O-N 3.08Å |
| 181 | E | 88.4 | Confident | 80.3 | Confident | 123 Ų | 123 | 121.2 Ų | 121.2 | 58% | 0.575 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -67 | -46.9 | 176.7 | -172.9 | 173.5 | -169.3 | 0 | 0 | 111.9 | R177 R178 K183 R184 I185 | R177-E181 PolarHBondContact O-N 2.86Å; R178-E181 PolarHBondContact O-N 3.49Å; E181-K183 VanDerWaalsContact C-N 3.26Å; E181-K183 PolarHBondContact O-N 2.59Å; E181-R184 WeakPolarHBondContact O-CA 3.47Å; E181-R184 WeakPolarHBondContact O-CB 3.37Å; E181-R184 PolarHBondContact O-N 2.7Å; E181-I185 HydrophobicContact CG-CD1 3.98Å; E181-I185 WeakPolarHBondContact O-CG1 3.44Å; E181-I185 PolarHBondContact O-N 2.69Å |
| 182 | Q | 83.6 | Confident | 78.2 | Confident | 117 Ų | 117 | 124.4 Ų | 124.4 | 55% | 0.547 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -59.4 | -37.6 | 176 | -169.9 | 63.3 | 47.7 | 0 | 0 | 112.1 | R178 I185 D186 | R178-Q182 WeakPolarHBondContact O-CB 3.45Å; R178-Q182 PolarHBondContact O-N 3.4Å; Q182-I185 PolarHBondContact O-N 3.15Å; Q182-D186 VanDerWaalsContact O-CB 3.31Å; Q182-D186 WeakPolarHBondContact O-CB 3.24Å; Q182-D186 PolarHBondContact O-N 2.98Å |
| 183 | K | 82.8 | Confident | 76.2 | Confident | 156 Ų | 156 | 125.8 Ų | 125.8 | 68% | 0.678 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -68.7 | -32.5 | 173.5 | -75.3 | 175.6 | -177.3 | -179.9 | 0 | 113.2 | Q179 K180 E181 G187 | Q179-K183 WeakPolarHBondContact O-CB 3.47Å; Q179-K183 VanDerWaalsContact O-CG 3.25Å; Q179-K183 WeakPolarHBondContact O-CG 3.47Å; Q179-K183 PolarHBondContact O-N 2.91Å; K180-K183 PolarHBondContact O-N 3.25Å; E181-K183 VanDerWaalsContact C-N 3.26Å; E181-K183 PolarHBondContact O-N 2.59Å; K183-G187 PolarHBondContact O-N 3.21Å |
| 184 | R | 75 | Confident | 74.6 | Confident | 181 Ų | 181 | 131 Ų | 131 | 68% | 0.683 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -67.7 | -45.9 | 173.1 | -77.7 | -176.3 | 173.3 | -127.1 | -0.7 | 110.7 | K180 E181 G187 T188 | K180-R184 PolarHBondContact O-N 2.87Å; K180-R184 VanDerWaalsContact O-N 3.08Å; E181-R184 WeakPolarHBondContact O-CA 3.47Å; E181-R184 WeakPolarHBondContact O-CB 3.37Å; E181-R184 PolarHBondContact O-N 2.7Å; R184-G187 PolarHBondContact O-N 3.3Å; R184-T188 PolarHBondContact O-N 3.08Å; R184-T188 VanDerWaalsContact O-N 3.1Å; R184-T188 PolarHBondContact O-OG1 3.23Å |
| 185 | I | 72.9 | Confident | 72.5 | Confident | 85 Ų | 85 | 131.9 Ų | 131.9 | 44% | 0.436 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -65.3 | -47.1 | 179.7 | -63.3 | 167.5 | 0 | 0 | 0 | 111.1 | E181 Q182 G187 T188 T189 | E181-I185 HydrophobicContact CG-CD1 3.98Å; E181-I185 WeakPolarHBondContact O-CG1 3.44Å; E181-I185 PolarHBondContact O-N 2.69Å; Q182-I185 PolarHBondContact O-N 3.15Å; I185-G187 VanDerWaalsContact C-N 3.28Å; I185-G187 PolarHBondContact O-N 2.91Å; I185-T188 WeakPolarHBondContact CA-OG1 3.4Å; I185-T188 PolarHBondContact O-N 3.28Å; I185-T188 VanDerWaalsContact O-N 3.14Å; I185-T188 PolarHBondContact O-OG1 3.17Å; I185-T189 PolarHBondContact O-N 3.23Å; I185-T189 PolarHBondContact O-OG1 3.21Å |
| 186 | D | 63.5 | Low | 70.8 | Confident | 68 Ų | 68 | 139.8 Ų | 139.8 | 36% | 0.364 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -64.6 | -32.1 | 174.8 | -173 | 49.2 | 0 | 0 | 0 | 112.2 | Q182 T188 T189 R190 | Q182-D186 VanDerWaalsContact O-CB 3.31Å; Q182-D186 WeakPolarHBondContact O-CB 3.24Å; Q182-D186 PolarHBondContact O-N 2.98Å; D186-T188 VanDerWaalsContact C-N 3.31Å; D186-T188 PolarHBondContact O-N 3.21Å; D186-T189 PolarHBondContact O-N 3.28Å; D186-R190 PolarHBondContact O-N 3.42Å; D186-R190 IonicContact OD1-NE 3.95Å; D186-R190 IonicContact OD2-CZ 3.74Å; D186-R190 IonicContact OD2-NE 2.88Å; D186-R190 PolarHBondContact OD2-NE 3.2Å; D186-R190 VanDerWaalsContact OD2-NE 3.17Å; D186-R190 IonicContact OD2-NH2 3.49Å; D186-R190 PolarHBondContact OD2-NH2 2.76Å |
| 187 | G | 58.5 | Low | 69.2 | Low | 48 Ų | 48 | 141.4 Ų | 141.4 | 50% | 0.495 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -66.7 | -27.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | K183 R184 I185 | K183-G187 PolarHBondContact O-N 3.21Å; R184-G187 PolarHBondContact O-N 3.3Å; I185-G187 VanDerWaalsContact C-N 3.28Å; I185-G187 PolarHBondContact O-N 2.91Å |
| 188 | T | 58.6 | Low | 67.5 | Low | 119 Ų | 119 | 137.8 Ų | 137.8 | 73% | 0.73 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -81.1 | -23.1 | 173.9 | 18.9 | 0 | 0 | 0 | 0 | 113.9 | R184 I185 D186 | R184-T188 PolarHBondContact O-N 3.08Å; R184-T188 VanDerWaalsContact O-N 3.1Å; R184-T188 PolarHBondContact O-OG1 3.23Å; I185-T188 WeakPolarHBondContact CA-OG1 3.4Å; I185-T188 PolarHBondContact O-N 3.28Å; I185-T188 VanDerWaalsContact O-N 3.14Å; I185-T188 PolarHBondContact O-OG1 3.17Å; D186-T188 VanDerWaalsContact C-N 3.31Å; D186-T188 PolarHBondContact O-N 3.21Å |
| 189 | T | 52.1 | Low | 66 | Low | 112 Ų | 112 | 139.4 Ų | 139.4 | 69% | 0.687 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -92.4 | -20.8 | -179.8 | -45.8 | 0 | 0 | 0 | 0 | 113.3 | I185 D186 E191 | I185-T189 PolarHBondContact O-N 3.23Å; I185-T189 PolarHBondContact O-OG1 3.21Å; D186-T189 PolarHBondContact O-N 3.28Å; T189-E191 PolarHBondContact O-N 3.27Å |
| 190 | R | 54.3 | Low | 65 | Low | 179 Ų | 179 | 141.1 Ų | 141.1 | 68% | 0.675 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -69.7 | 103.7 | 167 | -67.5 | 179.8 | -163.9 | -147.9 | 4.4 | 107.6 | D186 | D186-R190 PolarHBondContact O-N 3.42Å; D186-R190 IonicContact OD1-NE 3.95Å; D186-R190 IonicContact OD2-CZ 3.74Å; D186-R190 IonicContact OD2-NE 2.88Å; D186-R190 PolarHBondContact OD2-NE 3.2Å; D186-R190 VanDerWaalsContact OD2-NE 3.17Å; D186-R190 IonicContact OD2-NH2 3.49Å; D186-R190 PolarHBondContact OD2-NH2 2.76Å |
| 191 | E | 50.7 | Low | 64 | Low | 172 Ų | 172 | 141.5 Ų | 141.5 | 80% | 0.804 | 68% | 0.681 | S | S | * | * | trans | -5.8 | 129.3 | 165 | -75.8 | -177.9 | 132.2 | 0 | 0 | 113.2 | T189 K193 | T189-E191 PolarHBondContact O-N 3.27Å; E191-K193 WeakPolarHBondContact O-CA 3.35Å; E191-K193 PolarHBondContact O-N 2.99Å | ||
| 192 | V | 53.8 | Low | 63.3 | Low | 141 Ų | 141 | 144.6 Ų | 144.6 | 86% | 0.855 | 69% | 0.687 | S | S | * | * | trans | -24.6 | 87 | 156.9 | -177.7 | 0 | 0 | 0 | 0 | 109.8 | K194 | V192-K194 PolarHBondContact O-N 3.33Š| ||
| 193 | K | 55.3 | Low | 62.7 | Low | 184 Ų | 184 | 146.7 Ų | 146.7 | 80% | 0.8 | 70% | 0.697 | S | S | * | * | trans | -75.3 | 93.5 | -177.7 | -172.1 | 171.4 | -173.3 | 172.9 | 0 | 101.7 | E191 V195 | E191-K193 WeakPolarHBondContact O-CA 3.35Å; E191-K193 PolarHBondContact O-N 2.99Å; K193-V195 PolarHBondContact O-N 2.86Å | ||
| 194 | K | 60.6 | Low | 62.3 | Low | 187 Ų | 187 | 141.9 Ų | 141.9 | 81% | 0.813 | 68% | 0.677 | S | S | * | * | trans | -35.1 | 106.3 | -178.5 | -68.3 | -178.7 | -178.9 | 177 | 0 | 106.2 | V192 R196 | V192-K194 PolarHBondContact O-N 3.33Å; K194-R196 PolarHBondContact O-N 2.93Å | ||
| 195 | V | 53 | Low | 62.3 | Low | 132 Ų | 132 | 141.3 Ų | 141.3 | 80% | 0.8 | 68% | 0.675 | S | S | * | * | trans | -49.9 | 115.9 | 178.7 | 172.2 | 0 | 0 | 0 | 0 | 103.8 | K193 K197 | K193-V195 PolarHBondContact O-N 2.86Å; V195-K197 VanDerWaalsContact C-N 3.28Å; V195-K197 PolarHBondContact O-N 3.08Å | ||
| 196 | R | 59.9 | Low | 62.4 | Low | 231 Ų | 231 | 141.7 Ų | 141.7 | 87% | 0.872 | 68% | 0.678 | S | S | * | * | trans | -57.4 | 108.2 | 171.1 | -86.2 | -172.9 | 171 | 95 | -1.9 | 103.8 | K194 A198 | K194-R196 PolarHBondContact O-N 2.93Å; R196-A198 PolarHBondContact O-N 3.05Å | ||
| 197 | K | 62.7 | Low | 62.9 | Low | 196 Ų | 196 | 142.6 Ų | 142.6 | 85% | 0.852 | 68% | 0.681 | S | S | * | * | trans | -44.5 | 117 | -179.7 | -163.5 | 176.7 | -173.9 | 176.1 | 0 | 106 | V195 R199 | V195-K197 VanDerWaalsContact C-N 3.28Å; V195-K197 PolarHBondContact O-N 3.08Å; K197-R199 PolarHBondContact O-N 2.74Å | ||
| 198 | A | 57.3 | Low | 63.4 | Low | 90 Ų | 90 | 145.5 Ų | 145.5 | 74% | 0.744 | 68% | 0.683 | S | S | * | * | trans | -51.3 | 115.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 106.6 | R196 N200 | R196-A198 PolarHBondContact O-N 3.05Å; A198-N200 PolarHBondContact O-N 3.1Å | ||
| 199 | R | 62.2 | Low | 64.2 | Low | 187 Ų | 187 | 143.7 Ų | 143.7 | 71% | 0.706 | 68% | 0.68 | S | S | * | * | trans | -64.2 | 107.2 | -176.6 | -176.2 | 176.7 | 178.2 | -162.1 | -7.3 | 106.3 | K197 R201 E204 | K197-R199 PolarHBondContact O-N 2.74Å; R199-R201 PolarHBondContact O-N 3.43Å; R199-E204 IonicContact CZ-OE1 3.39Å; R199-E204 IonicContact NH2-OE1 3.83Å; R199-E204 PolarHBondContact NH2-OE1 3.44Å | ||
| 200 | N | 68.3 | Low | 64.9 | Low | 119 Ų | 119 | 144.5 Ų | 144.5 | 64% | 0.636 | 67% | 0.672 | S | S | * | * | trans | -68.9 | 96.1 | -178 | -170.3 | -29.2 | 0 | 0 | 0 | 108.4 | A198 R202 | A198-N200 PolarHBondContact O-N 3.1Å; N200-R202 PolarHBondContact O-N 3.09Å; N200-R202 WeakPolarHBondContact OD1-CB 3.41Å; N200-R202 PolarHBondContact OD1-N 2.81Å | ||
| 201 | R | 69.9 | Low | 65.2 | Low | 145 Ų | 145 | 142 Ų | 142 | 55% | 0.547 | 67% | 0.672 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.7 | -1.9 | -178.9 | -150.3 | -179.8 | -77.9 | -140.8 | 1.5 | 112.3 | R199 Q203 E204 W205 | R199-R201 PolarHBondContact O-N 3.43Å; R201-Q203 PolarHBondContact O-N 2.82Å; R201-E204 HydrophobicContact CG-CB 3.91Å; R201-E204 WeakPolarHBondContact CG-OE2 2.87Å; R201-E204 WeakPolarHBondContact O-CB 3.46Å; R201-E204 PolarHBondContact O-N 3.3Å; R201-E204 VanDerWaalsContact O-N 3.11Å; R201-W205 PolarHBondContact O-N 3.22Å |
| 202 | R | 73.9 | Confident | 65.6 | Low | 188 Ų | 188 | 142.9 Ų | 142.9 | 71% | 0.709 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -57.1 | -37 | 180 | -175.6 | 173.8 | -74.5 | -88.7 | -0.2 | 111.8 | N200 W205 N206 | N200-R202 PolarHBondContact O-N 3.09Å; N200-R202 WeakPolarHBondContact OD1-CB 3.41Å; N200-R202 PolarHBondContact OD1-N 2.81Å; R202-W205 PolarHBondContact O-N 2.89Å; R202-N206 WeakPolarHBondContact O-CB 3.43Å; R202-N206 PolarHBondContact O-N 3.18Å |
| 203 | Q | 71.1 | Confident | 65.9 | Low | 160 Ų | 160 | 144.9 Ų | 144.9 | 75% | 0.748 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -72 | -36.2 | 179.7 | -149.7 | 173 | 12.1 | 0 | 0 | 112 | R201 M207 | R201-Q203 PolarHBondContact O-N 2.82Å; Q203-M207 WeakPolarHBondContact O-CB 3.42Å; Q203-M207 PolarHBondContact O-N 3.08Å |
| 204 | E | 75 | Confident | 65.9 | Low | 56 Ų | 56 | 142.5 Ų | 142.5 | 26% | 0.262 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -65.6 | -45.4 | 171.6 | -90.9 | 177.9 | -175.6 | 0 | 0 | 111.6 | R199 R201 M207 M208 | R199-E204 IonicContact CZ-OE1 3.39Å; R199-E204 IonicContact NH2-OE1 3.83Å; R199-E204 PolarHBondContact NH2-OE1 3.44Å; R201-E204 HydrophobicContact CG-CB 3.91Å; R201-E204 WeakPolarHBondContact CG-OE2 2.87Å; R201-E204 WeakPolarHBondContact O-CB 3.46Å; R201-E204 PolarHBondContact O-N 3.3Å; R201-E204 VanDerWaalsContact O-N 3.11Å; E204-M207 PolarHBondContact O-N 2.88Å; E204-M208 HydrophobicContact CB-CE 4.44Å; E204-M208 WeakPolarHBondContact O-CB 3.47Å; E204-M208 VanDerWaalsContact O-CG 3.28Å; E204-M208 WeakPolarHBondContact O-CG 3.27Å; E204-M208 PolarHBondContact O-N 2.92Å |
| 205 | W | 74.6 | Confident | 66.2 | Low | 168 Ų | 168 | 138 Ų | 138 | 64% | 0.636 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -66.1 | -39.7 | 176.9 | -74.9 | 112.1 | 0 | 0 | 0 | 112.6 | R201 R202 M207 M208 A209 | R201-W205 PolarHBondContact O-N 3.22Å; R202-W205 PolarHBondContact O-N 2.89Å; W205-M207 VanDerWaalsContact C-N 3.34Å; W205-M208 CarbonylContact O-C 3.59Å; W205-M208 PolarHBondContact O-N 3.01Å; W205-A209 WeakPolarHBondContact O-CB 3.27Å; W205-A209 PolarHBondContact O-N 2.85Å |
| 206 | N | 75.4 | Confident | 66.5 | Low | 94 Ų | 94 | 136.7 Ų | 136.7 | 50% | 0.503 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -65.9 | -40.8 | 175.9 | -161.6 | -15.9 | 0 | 0 | 0 | 110.3 | R202 M208 A209 Y210 | R202-N206 WeakPolarHBondContact O-CB 3.43Å; R202-N206 PolarHBondContact O-N 3.18Å; N206-M208 VanDerWaalsContact C-N 3.35Å; N206-M208 PolarHBondContact O-N 2.99Å; N206-A209 WeakPolarHBondContact O-CB 3.47Å; N206-A209 PolarHBondContact O-N 2.95Å; N206-Y210 WeakPolarHBondContact O-CD2 3.39Å; N206-Y210 PolarHBondContact O-N 3.42Å |
| 207 | M | 74.6 | Confident | 65.9 | Low | 87 Ų | 87 | 131.5 Ų | 131.5 | 43% | 0.429 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -64.1 | -39.5 | 172.5 | -170.2 | 146.7 | 59.2 | 0 | 0 | 111.3 | Q203 E204 W205 A209 Y210 R215 | Q203-M207 WeakPolarHBondContact O-CB 3.42Å; Q203-M207 PolarHBondContact O-N 3.08Å; E204-M207 PolarHBondContact O-N 2.88Å; W205-M207 VanDerWaalsContact C-N 3.34Å; M207-A209 VanDerWaalsContact C-N 3.3Å; M207-A209 PolarHBondContact O-N 3.29Å; M207-Y210 PolarHBondContact O-N 2.81Å; M207-R215 HydrophobicContact CG-CG 4.07Å; M207-R215 PolarHBondContact O-NE 2.94Å; M207-R215 PolarHBondContact O-NH1 3Å; M207-R215 PolarHBondContact O-NH2 2.88Å; M207-R215 VanDerWaalsContact O-NH2 3.12Å |
| 208 | M | 69.3 | Low | 65.4 | Low | 108 Ų | 108 | 128.8 Ų | 128.8 | 53% | 0.532 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -69.7 | -22.2 | 175.2 | -72.2 | -176.6 | -152.3 | 0 | 0 | 114.4 | E204 W205 N206 Y210 | E204-M208 HydrophobicContact CB-CE 4.44Å; E204-M208 WeakPolarHBondContact O-CB 3.47Å; E204-M208 VanDerWaalsContact O-CG 3.28Å; E204-M208 WeakPolarHBondContact O-CG 3.27Å; E204-M208 PolarHBondContact O-N 2.92Å; W205-M208 CarbonylContact O-C 3.59Å; W205-M208 PolarHBondContact O-N 3.01Å; N206-M208 VanDerWaalsContact C-N 3.35Å; N206-M208 PolarHBondContact O-N 2.99Å; M208-Y210 VanDerWaalsContact C-N 3.31Å |
| 209 | A | 73.8 | Confident | 64.8 | Low | 82 Ų | 82 | 134.3 Ų | 134.3 | 68% | 0.678 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -77.2 | -16.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | W205 N206 M207 | W205-A209 WeakPolarHBondContact O-CB 3.27Å; W205-A209 PolarHBondContact O-N 2.85Å; N206-A209 WeakPolarHBondContact O-CB 3.47Å; N206-A209 PolarHBondContact O-N 2.95Å; M207-A209 VanDerWaalsContact C-N 3.3Å; M207-A209 PolarHBondContact O-N 3.29Å |
| 210 | Y | 68.3 | Low | 64.2 | Low | 129 Ų | 129 | 133.3 Ų | 133.3 | 51% | 0.506 | 63% | 0.634 | S | S | . | * | S | Bend | trans | -75.5 | 131.6 | 168.2 | -77 | -86.2 | 0 | 0 | 0 | 110.2 | N206 M207 M208 L214 | N206-Y210 WeakPolarHBondContact O-CD2 3.39Å; N206-Y210 PolarHBondContact O-N 3.42Å; M207-Y210 PolarHBondContact O-N 2.81Å; M208-Y210 VanDerWaalsContact C-N 3.31Å; Y210-L214 HydrophobicContact CD1-CB 4.48Å |
| 211 | D | 59.1 | Low | 63.1 | Low | 127 Ų | 127 | 131.8 Ų | 131.8 | 68% | 0.679 | 63% | 0.633 | S | S | * | * | trans | -60.9 | 150.3 | 174.1 | -160 | 13.1 | 0 | 0 | 0 | 110.5 | E213 L214 | D211-E213 PolarHBondContact O-N 2.82Å; D211-L214 PolarHBondContact O-N 2.83Å | ||
| 212 | K | 59.8 | Low | 61.6 | Low | 190 Ų | 190 | 134.4 Ų | 134.4 | 83% | 0.826 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.1 | -20.4 | -163.4 | -107.8 | 175.1 | 175.7 | 179.5 | 0 | 114.8 | ||
| 213 | E | 59.5 | Low | 59.5 | Low | 183 Ų | 183 | 133 Ų | 133 | 86% | 0.855 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.5 | -9.6 | -174.9 | -53.9 | -166.4 | 175.4 | 0 | 0 | 114.3 | D211 | D211-E213 PolarHBondContact O-N 2.82Š|
| 214 | L | 56.5 | Low | 58 | Low | 134 Ų | 134 | 130.9 Ų | 130.9 | 70% | 0.702 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -116.5 | 10.7 | -175.5 | -68.8 | 172.8 | 0 | 0 | 0 | 114 | Y210 D211 | Y210-L214 HydrophobicContact CD1-CB 4.48Å; D211-L214 PolarHBondContact O-N 2.83Å |
| 215 | R | 66.1 | Low | 55.9 | Low | 91 Ų | 91 | 137.2 Ų | 137.2 | 34% | 0.343 | 68% | 0.678 | S | S | . | * | S | Bend | trans | -74.7 | 135.3 | 176 | -118.3 | -176.4 | 169.7 | 104.3 | -7.6 | 110.5 | M207 D217 | M207-R215 HydrophobicContact CG-CG 4.07Å; M207-R215 PolarHBondContact O-NE 2.94Å; M207-R215 PolarHBondContact O-NH1 3Å; M207-R215 PolarHBondContact O-NH2 2.88Å; M207-R215 VanDerWaalsContact O-NH2 3.12Å; R215-D217 PolarHBondContact O-N 3.02Å; R215-D217 VanDerWaalsContact O-N 3.11Å |
| 216 | P | 58.3 | Low | 54.1 | Low | 105 Ų | 105 | 137.9 Ų | 137.9 | 68% | 0.682 | 69% | 0.688 | S | S | * | * | trans | -62.2 | 116.3 | 171.8 | -16.8 | 28.8 | 0 | 0 | 0 | 109.9 | N218 | P216-N218 PolarHBondContact O-N 2.84Å; P216-N218 VanDerWaalsContact O-N 3.17Å | ||
| 217 | D | 48.1 | Very low | 51.9 | Low | 123 Ų | 123 | 136.8 Ų | 136.8 | 66% | 0.658 | 70% | 0.699 | S | S | * | * | trans | -71.6 | 106.8 | -178.4 | -137.5 | -5.6 | 0 | 0 | 0 | 108.9 | R215 R219 | R215-D217 PolarHBondContact O-N 3.02Å; R215-D217 VanDerWaalsContact O-N 3.11Å; D217-R219 HydrophobicContact CB-CG 4.44Å; D217-R219 PolarHBondContact O-N 3.48Å; D217-R219 IonicContact OD1-NE 3.1Å; D217-R219 IonicContact OD2-NE 3.94Å; D217-R219 PolarHBondContact OD2-NE 3.28Å | ||
| 218 | N | 52.1 | Low | 49.9 | Very low | 138 Ų | 138 | 137.1 Ų | 137.1 | 74% | 0.738 | 72% | 0.716 | S | S | * | * | trans | -80 | 57.6 | 178.9 | -159.5 | 80.3 | 0 | 0 | 0 | 110.5 | P216 L220 | P216-N218 PolarHBondContact O-N 2.84Å; P216-N218 VanDerWaalsContact O-N 3.17Å; N218-L220 VanDerWaalsContact C-N 3.31Å; N218-L220 PolarHBondContact O-N 2.92Å | ||
| 219 | R | 45.9 | Very low | 48.1 | Very low | 206 Ų | 206 | 137.4 Ų | 137.4 | 78% | 0.777 | 73% | 0.728 | S | S | * | * | trans | -86.7 | 15.7 | -178.9 | -78.8 | -167.9 | 176 | -154.6 | -3.2 | 114.6 | D217 | D217-R219 HydrophobicContact CB-CG 4.44Å; D217-R219 PolarHBondContact O-N 3.48Å; D217-R219 IonicContact OD1-NE 3.1Å; D217-R219 IonicContact OD2-NE 3.94Å; D217-R219 PolarHBondContact OD2-NE 3.28Å | ||
| 220 | L | 48.9 | Very low | 46.1 | Very low | 167 Ų | 167 | 138.5 Ų | 138.5 | 87% | 0.874 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -138.7 | 55.7 | -175.7 | -72.7 | 164.5 | 0 | 0 | 0 | 113.2 | N218 | N218-L220 VanDerWaalsContact C-N 3.31Å; N218-L220 PolarHBondContact O-N 2.92Å |
| 221 | S | 45.2 | Very low | 44.5 | Very low | 87 Ų | 87 | 141.5 Ų | 141.5 | 61% | 0.608 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -173.2 | 55.8 | 157 | 52.2 | 0 | 0 | 0 | 0 | 115 | ||
| 222 | Q | 37.4 | Very low | 43.1 | Very low | 200 Ų | 200 | 138.9 Ų | 138.9 | 94% | 0.935 | 75% | 0.753 | S | S | * | * | trans | -177.7 | 94.2 | 140.1 | -110.5 | 172.6 | -16.8 | 0 | 0 | 108.8 | ||||
| 223 | N | 31.3 | Very low | 42 | Very low | 157 Ų | 157 | 135 Ų | 135 | 84% | 0.84 | 75% | 0.75 | S | S | * | * | trans | -139 | 87.6 | 162.1 | -155.8 | 2.4 | 0 | 0 | 0 | 107.4 | ||||
| 224 | V | 37.9 | Very low | 40.6 | Very low | 116 Ų | 116 | 134.5 Ų | 134.5 | 70% | 0.703 | 75% | 0.752 | S | S | * | * | trans | -148 | 123.7 | 147.5 | -160.1 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 225 | Y | 32.7 | Very low | 39.6 | Very low | 189 Ų | 189 | 133.4 Ų | 133.4 | 74% | 0.741 | 76% | 0.756 | S | S | * | * | S | Bend | trans | 100.8 | 96.2 | 169.3 | -61.7 | -72.4 | 0 | 0 | 0 | 118.5 | ||
| 226 | H | 35.7 | Very low | 39.1 | Very low | 183 Ų | 183 | 133.8 Ų | 133.8 | 85% | 0.847 | 77% | 0.77 | S | S | * | * | trans | 70.9 | 123.7 | 150.3 | -65.2 | -72.8 | 0 | 0 | 0 | 117.4 | ||||
| 227 | G | 29.8 | Very low | 37.9 | Very low | 70 Ų | 70 | 135.2 Ų | 135.2 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | cis | 143.3 | 131.9 | 9.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 228 | A | 32.5 | Very low | 37.2 | Very low | 95 Ų | 95 | 135.2 Ų | 135.2 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | trans | 83.1 | 106.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 229 | S | 30.3 | Very low | 36.4 | Very low | 114 Ų | 114 | 139.8 Ų | 139.8 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | 62.2 | 110.6 | 125.5 | -51.5 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 230 | S | 33.6 | Very low | 35.6 | Very low | 105 Ų | 105 | 133.9 Ų | 133.9 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | 91.6 | 135.8 | 68 | -169.3 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 231 | E | 33.5 | Very low | 34.8 | Very low | 191 Ų | 191 | 134.6 Ų | 134.6 | 89% | 0.893 | 77% | 0.772 | S | S | * | * | trans | 74.5 | 135.9 | 172.2 | -43 | -165.1 | 134.8 | 0 | 0 | 113.9 | ||||
| 232 | G | 30.5 | Very low | 34 | Very low | 73 Ų | 73 | 134.3 Ų | 134.3 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | cis | 177.8 | 158.2 | 8.7 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 233 | S | 36.7 | Very low | 34 | Very low | 109 Ų | 109 | 130.3 Ų | 130.3 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | trans | -42.3 | 154.8 | 174.8 | -51.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 234 | L | 29.2 | Very low | 34.2 | Very low | 171 Ų | 171 | 129.6 Ų | 129.6 | 90% | 0.895 | 77% | 0.765 | S | S | * | * | 156.7 | 124.6 | 119.4 | -77.1 | 176.2 | 0 | 0 | 0 | 110.6 | |||||
| 235 | S | 35.5 | Very low | 33.9 | Very low | 112 Ų | 112 | 129.6 Ų | 129.6 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | trans | -64.5 | 173.4 | 149.9 | -136.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 236 | P | 56.6 | Low | 34.1 | Very low | 99 Ų | 99 | 125.3 Ų | 125.3 | 64% | 0.643 | 76% | 0.759 | S | S | * | * | cis | -148.3 | -169.8 | 8.6 | 39.3 | -15.2 | 0 | 0 | 0 | 115.9 | ||||
| 237 | D | 31.8 | Very low | 33.7 | Very low | 135 Ų | 135 | 123 Ų | 123 | 72% | 0.722 | 75% | 0.753 | S | S | * | * | trans | 72.4 | 123.7 | 141.2 | -73.3 | -38.8 | 0 | 0 | 0 | 126.2 | ||||
| 238 | T | 35 | Very low | 33.8 | Very low | 122 Ų | 122 | 129.1 Ų | 129.1 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | trans | 57.2 | 143.9 | 132.4 | 71.1 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 239 | R | 33.7 | Very low | 33.7 | Very low | 234 Ų | 234 | 130.4 Ų | 130.4 | 88% | 0.883 | 76% | 0.758 | S | S | * | * | trans | 92.4 | 127.1 | 147.6 | -110.5 | -168.6 | 177.1 | 173.9 | 0.7 | 120.1 | ||||
| 240 | S | 30.3 | Very low | 33.7 | Very low | 82 Ų | 82 | 135.5 Ų | 135.5 | 57% | 0.573 | 76% | 0.762 | S | S | * | * | 90.3 | 119.2 | 126.6 | -71.8 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 241 | H | 32.3 | Very low | 34.4 | Very low | 183 Ų | 183 | 136 Ų | 136 | 85% | 0.847 | 76% | 0.763 | S | S | * | * | 85.3 | 132.1 | 129.7 | -82.8 | -77.2 | 0 | 0 | 0 | 123.3 | |||||
| 242 | A | 28.5 | Very low | 34.1 | Very low | 80 Ų | 80 | 131.3 Ų | 131.3 | 66% | 0.661 | 76% | 0.757 | S | S | * | * | trans | 74.8 | 122.5 | 147.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 243 | S | 36.6 | Very low | 34.5 | Very low | 116 Ų | 116 | 134.4 Ų | 134.4 | 81% | 0.811 | 76% | 0.761 | S | S | * | * | 51.6 | 123.5 | 67 | -51.3 | 0 | 0 | 0 | 0 | 110 | |||||
| 244 | D | 35.4 | Very low | 34.6 | Very low | 142 Ų | 142 | 135 Ų | 135 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | cis | -177.7 | 159.5 | 44.3 | -145.2 | -16.9 | 0 | 0 | 0 | 104.7 | ||||
| 245 | V | 32.4 | Very low | 34.6 | Very low | 117 Ų | 117 | 134.1 Ų | 134.1 | 71% | 0.709 | 76% | 0.758 | S | S | * | * | -179.5 | 123.8 | 75.3 | 112.4 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 246 | T | 36.5 | Very low | 34.5 | Very low | 98 Ų | 98 | 136.7 Ų | 136.7 | 60% | 0.601 | 76% | 0.758 | S | S | * | * | trans | 35 | 139.9 | 137 | 60 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 247 | D | 27.8 | Very low | 33.2 | Very low | 136 Ų | 136 | 137.2 Ų | 137.2 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | -160.5 | 138.2 | 59.3 | -97 | -32.1 | 0 | 0 | 0 | 116.2 | |||||
| 248 | Y | 31.2 | Very low | 33.1 | Very low | 198 Ų | 198 | 137.9 Ų | 137.9 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | trans | 30.3 | 123.4 | 148.5 | -67.1 | -87.6 | 0 | 0 | 0 | 126.6 | ||||
| 249 | S | 29.4 | Very low | 32.9 | Very low | 121 Ų | 121 | 140 Ų | 140 | 85% | 0.846 | 77% | 0.767 | S | S | * | * | 176.9 | 131.2 | 97.1 | -74.2 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 250 | Y | 30.8 | Very low | 32.9 | Very low | 221 Ų | 221 | 137 Ų | 137 | 87% | 0.867 | 76% | 0.764 | S | S | * | * | trans | -83.1 | -175.3 | 179.4 | -104.9 | -90.5 | 0 | 0 | 0 | 113.2 | ||||
| 251 | P | 48.2 | Very low | 32.7 | Very low | 117 Ų | 117 | 141.2 Ų | 141.2 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | cis | -131.1 | 154.7 | -15.7 | 33.7 | -16.1 | 0 | 0 | 0 | 115.8 | ||||
| 252 | A | 28.7 | Very low | 32.6 | Very low | 92 Ų | 92 | 140.1 Ų | 140.1 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | trans | -127.4 | 143 | 153.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 253 | T | 37.4 | Very low | 32.5 | Very low | 137 Ų | 137 | 141.8 Ų | 141.8 | 84% | 0.84 | 78% | 0.78 | S | S | * | * | trans | -57.6 | 156.3 | -174.3 | 53.1 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 254 | P | 38.5 | Very low | 32.1 | Very low | 122 Ų | 122 | 144.6 Ų | 144.6 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | trans | -139.6 | 149.6 | 132.5 | 34.5 | -18.8 | 0 | 0 | 0 | 115.5 | ||||
| 255 | N | 30.5 | Very low | 32.1 | Very low | 152 Ų | 152 | 144 Ų | 144 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | trans | -60.4 | 136.5 | 160.3 | -90.1 | -48.5 | 0 | 0 | 0 | 111.1 | ||||
| 256 | H | 32.3 | Very low | 31.9 | Very low | 167 Ų | 167 | 143.3 Ų | 143.3 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | 177.6 | 124 | 112.9 | -100.3 | -72.8 | 0 | 0 | 0 | 112.8 | |||||
| 257 | S | 29.9 | Very low | 31.6 | Very low | 109 Ų | 109 | 149.6 Ų | 149.6 | 76% | 0.762 | 80% | 0.801 | S | S | * | * | trans | 39.4 | 93.1 | 135.2 | -43.7 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 258 | L | 30.1 | Very low | 31.9 | Very low | 149 Ų | 149 | 147 Ų | 147 | 78% | 0.78 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 116.5 | 167.9 | -139.5 | 109.9 | 0 | 0 | 0 | 111.5 | Q260 | L258-Q260 HydrophobicContact CD2-CG 3.6Š|
| 259 | H | 30.8 | Very low | 31.8 | Very low | 166 Ų | 166 | 144.8 Ų | 144.8 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 119.2 | 159.1 | -177.3 | 84.3 | 0 | 0 | 0 | 107.3 | ||
| 260 | Q | 32.3 | Very low | 31.8 | Very low | 173 Ų | 173 | 141.9 Ų | 141.9 | 81% | 0.808 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -100.4 | 118 | 172.7 | -77.7 | -169.3 | 14.1 | 0 | 0 | 110.2 | L258 | L258-Q260 HydrophobicContact CD2-CG 3.6Š|
| 261 | Q | 27.1 | Very low | 31.9 | Very low | 169 Ų | 169 | 139.6 Ų | 139.6 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | trans | -125.5 | 143.4 | 155.4 | -133.9 | -172.4 | -21.1 | 0 | 0 | 109.3 | ||||
| 262 | I | 29.2 | Very low | 31.2 | Very low | 161 Ų | 161 | 137.6 Ų | 137.6 | 83% | 0.826 | 81% | 0.806 | S | S | * | * | trans | -69 | 137.6 | -163.1 | -69 | 144.1 | 0 | 0 | 0 | 112.8 | ||||
| 263 | S | 26.3 | Very low | 32.1 | Very low | 115 Ų | 115 | 138.9 Ų | 138.9 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | -151 | 136.5 | 157.5 | 35.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 264 | M | 29.8 | Very low | 32.1 | Very low | 175 Ų | 175 | 140.4 Ų | 140.4 | 86% | 0.862 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 152.4 | -166.2 | -60.2 | -91.4 | -86.9 | 0 | 0 | 112.9 | ||
| 265 | P | 35.3 | Very low | 31.7 | Very low | 128 Ų | 128 | 144.9 Ų | 144.9 | 83% | 0.831 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -97 | 154 | 162.9 | 35 | -27.2 | 0 | 0 | 0 | 113.1 | ||
| 266 | S | 28 | Very low | 31.7 | Very low | 103 Ų | 103 | 145.8 Ų | 145.8 | 72% | 0.72 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 142 | -176.8 | 161.6 | 0 | 0 | 0 | 0 | 112.5 | ||
| 267 | Y | 30 | Very low | 31.6 | Very low | 231 Ų | 231 | 141 Ų | 141 | 91% | 0.906 | 80% | 0.804 | S | S | * | * | trans | 21.1 | 126.4 | 153.2 | -62.2 | -86 | 0 | 0 | 0 | 122 | ||||
| 268 | G | 33.1 | Very low | 31.6 | Very low | 81 Ų | 81 | 142.8 Ų | 142.8 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | trans | -152.2 | 123.4 | 156.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 269 | T | 31 | Very low | 31.6 | Very low | 151 Ų | 151 | 140 Ų | 140 | 93% | 0.926 | 80% | 0.803 | S | S | * | * | trans | -84 | 148.4 | -165.7 | -40.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 270 | G | 29.3 | Very low | 31.6 | Very low | 61 Ų | 61 | 141 Ų | 141 | 63% | 0.629 | 81% | 0.808 | S | S | * | * | trans | 147.4 | 104.6 | 150.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 271 | D | 32.8 | Very low | 31.4 | Very low | 172 Ų | 172 | 137.1 Ų | 137.1 | 92% | 0.92 | 80% | 0.8 | S | S | * | * | trans | 53.7 | 113.3 | 151 | -53.5 | -29.4 | 0 | 0 | 0 | 119.6 | ||||
| 272 | G | 33.2 | Very low | 31.6 | Very low | 76 Ų | 76 | 137.7 Ų | 137.7 | 78% | 0.784 | 80% | 0.802 | S | S | * | * | cis | 104.2 | 149.8 | 43.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 273 | P | 47.4 | Very low | 31.8 | Very low | 118 Ų | 118 | 138.2 Ų | 138.2 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | cis | -130.1 | 147 | -15.4 | 38.9 | -19.8 | 0 | 0 | 0 | 115.1 | ||||
| 274 | Q | 36.8 | Very low | 32.1 | Very low | 170 Ų | 170 | 140.9 Ų | 140.9 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | 85.4 | 127.2 | 102.2 | -66 | -93.8 | -13.5 | 0 | 0 | 118.5 | |||||
| 275 | Y | 29.9 | Very low | 32 | Very low | 215 Ų | 215 | 140.2 Ų | 140.2 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | -163.2 | 129.4 | 115.4 | -109.6 | -78.9 | 0 | 0 | 0 | 113.3 | |||||
| 276 | M | 31.5 | Very low | 31.7 | Very low | 172 Ų | 172 | 144.7 Ų | 144.7 | 85% | 0.847 | 80% | 0.797 | S | S | * | * | trans | 64.2 | 133.3 | 162.4 | -59.7 | -137.5 | 175.5 | 0 | 0 | 119.7 | ||||
| 277 | G | 30.5 | Very low | 31.8 | Very low | 66 Ų | 66 | 150.5 Ų | 150.5 | 68% | 0.68 | 80% | 0.803 | S | S | * | * | cis | 160.3 | 138.4 | -1.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 278 | V | 29.5 | Very low | 33.2 | Very low | 147 Ų | 147 | 144.2 Ų | 144.2 | 89% | 0.891 | 79% | 0.791 | S | S | * | * | trans | 67.5 | 132.7 | 147.3 | 177.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 279 | S | 28.8 | Very low | 33.6 | Very low | 90 Ų | 90 | 146.3 Ų | 146.3 | 63% | 0.629 | 79% | 0.79 | S | S | * | * | cis | -175 | 159.8 | 3.8 | -99.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 280 | Q | 31.5 | Very low | 33.7 | Very low | 186 Ų | 186 | 144.2 Ų | 144.2 | 87% | 0.869 | 78% | 0.781 | S | S | * | * | trans | 78.2 | 112.7 | 144.9 | -74.8 | 173.4 | 43.4 | 0 | 0 | 122.2 | ||||
| 281 | S | 27.8 | Very low | 33.8 | Very low | 92 Ų | 92 | 147.6 Ų | 147.6 | 64% | 0.643 | 79% | 0.79 | S | S | * | * | trans | -79.7 | 157.2 | 146.4 | 47.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 282 | H | 31.9 | Very low | 33.8 | Very low | 182 Ų | 182 | 145 Ų | 145 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | 177.5 | 143.6 | 122.5 | -96.7 | 74.6 | 0 | 0 | 0 | 112.1 | |||||
| 283 | E | 33.8 | Very low | 33.8 | Very low | 171 Ų | 171 | 148.2 Ų | 148.2 | 80% | 0.799 | 79% | 0.785 | S | S | * | * | trans | -79.6 | 158.2 | 176.1 | -59.4 | -173.3 | 105.9 | 0 | 0 | 112.9 | ||||
| 284 | H | 31.4 | Very low | 33.3 | Very low | 172 Ų | 172 | 152.8 Ų | 152.8 | 80% | 0.796 | 79% | 0.787 | S | S | * | * | 175.8 | 119.7 | 124.8 | -92 | -61.3 | 0 | 0 | 0 | 112.7 | |||||
| 285 | E | 28.4 | Very low | 33.2 | Very low | 160 Ų | 160 | 153.7 Ų | 153.7 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | 34.7 | 130.3 | 130.4 | -155.4 | 165.4 | -167.6 | 0 | 0 | 121.8 | ||||
| 286 | Y | 29.3 | Very low | 33.4 | Very low | 222 Ų | 222 | 147.4 Ų | 147.4 | 87% | 0.871 | 78% | 0.783 | S | S | * | * | 175.8 | 142.7 | 125.5 | -104.3 | -81.9 | 0 | 0 | 0 | 111.7 | |||||
| 287 | R | 30.8 | Very low | 33.6 | Very low | 226 Ų | 226 | 145.1 Ų | 145.1 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | trans | -117 | 178.7 | 173.8 | -153.7 | -157.4 | 179.9 | 159.8 | 4 | 109.6 | ||||
| 288 | P | 58.4 | Low | 33.8 | Very low | 98 Ų | 98 | 148.9 Ų | 148.9 | 64% | 0.636 | 78% | 0.782 | S | S | * | * | -103.6 | -170.5 | -98.2 | 41.8 | -24.3 | 0 | 0 | 0 | 113.1 | |||||
| 289 | P | 42.3 | Very low | 33.9 | Very low | 126 Ų | 126 | 149 Ų | 149 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | -155.1 | -178.6 | 87.9 | 37.7 | -14.8 | 0 | 0 | 0 | 117.4 | |||||
| 290 | S | 32.3 | Very low | 34 | Very low | 107 Ų | 107 | 155.9 Ų | 155.9 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | -54.5 | 163.2 | -172.7 | -45.1 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 291 | T | 30.8 | Very low | 34.6 | Very low | 132 Ų | 132 | 152.1 Ų | 152.1 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | 158.1 | 111.1 | 129 | 42 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 292 | T | 32.9 | Very low | 35.1 | Very low | 118 Ų | 118 | 156.3 Ų | 156.3 | 72% | 0.724 | 79% | 0.792 | S | S | * | * | 64.4 | 108.8 | 92.4 | -46.7 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 293 | V | 33.8 | Very low | 35.2 | Very low | 143 Ų | 143 | 156.5 Ų | 156.5 | 87% | 0.867 | 79% | 0.793 | S | S | * | * | trans | -148.4 | 133.8 | 134 | 174.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 294 | R | 36.8 | Very low | 35.8 | Very low | 214 Ų | 214 | 153.5 Ų | 153.5 | 81% | 0.808 | 79% | 0.788 | S | S | * | * | trans | -101.3 | 158.5 | -179.6 | -66.4 | 172.9 | 166.5 | 172.8 | -4.3 | 110.8 | ||||
| 295 | H | 34.3 | Very low | 36.9 | Very low | 188 Ų | 188 | 151.1 Ų | 151.1 | 87% | 0.87 | 79% | 0.788 | S | S | * | * | trans | -174.3 | 110.1 | 133.1 | -82.6 | -71.2 | 0 | 0 | 0 | 105.4 | ||||
| 296 | A | 35.2 | Very low | 38.2 | Very low | 83 Ų | 83 | 149.3 Ų | 149.3 | 69% | 0.686 | 79% | 0.79 | S | S | * | * | 53.7 | 129.2 | 62 | 0 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 297 | T | 35 | Very low | 39.4 | Very low | 125 Ų | 125 | 144.3 Ų | 144.3 | 77% | 0.767 | 79% | 0.785 | S | S | * | * | cis | 179 | 146.5 | -1.4 | 29.6 | 0 | 0 | 0 | 0 | 106 | ||||
| 298 | L | 35.4 | Very low | 40.5 | Very low | 144 Ų | 144 | 139.3 Ų | 139.3 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | 171.5 | 126.6 | 129.1 | -116 | 71.9 | 0 | 0 | 0 | 114.6 | |||||
| 299 | N | 30.7 | Very low | 40.2 | Very low | 150 Ų | 150 | 140.7 Ų | 140.7 | 80% | 0.802 | 79% | 0.791 | S | S | * | * | trans | 74.7 | 125.3 | 137.8 | -63.7 | -10.7 | 0 | 0 | 0 | 124.9 | ||||
| 300 | R | 31.5 | Very low | 40.2 | Very low | 234 Ų | 234 | 143.8 Ų | 143.8 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | trans | -73.5 | 176.4 | 172.1 | 168.4 | 178.7 | -170.6 | -177.3 | 5.7 | 113.2 | ||||
| 301 | P | 43.7 | Very low | 41 | Very low | 107 Ų | 107 | 145 Ų | 145 | 70% | 0.695 | 80% | 0.8 | S | S | * | * | cis | -132.6 | 167.5 | -1.8 | 20.1 | 6.2 | 0 | 0 | 0 | 118.9 | ||||
| 302 | Q | 37.9 | Very low | 41.3 | Very low | 181 Ų | 181 | 143.9 Ų | 143.9 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | trans | 13 | 123.7 | 143.6 | -65.9 | -91.3 | -17.3 | 0 | 0 | 122.4 | ||||
| 303 | Q | 34.7 | Very low | 41.4 | Very low | 186 Ų | 186 | 145.6 Ų | 145.6 | 87% | 0.869 | 80% | 0.802 | S | S | * | * | trans | -168.7 | 142 | 135.8 | -145.2 | 168.2 | 7.6 | 0 | 0 | 112.8 | ||||
| 304 | P | 47.1 | Very low | 41.2 | Very low | 108 Ų | 108 | 144.2 Ų | 144.2 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 165.3 | 173.5 | 33.7 | -33.7 | 0 | 0 | 0 | 113.5 | ||
| 305 | P | 52.8 | Low | 41.3 | Very low | 121 Ų | 121 | 141.6 Ų | 141.6 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 159.5 | -169.5 | 32.4 | -35 | 0 | 0 | 0 | 114.3 | ||
| 306 | P | 57.4 | Low | 41.3 | Very low | 122 Ų | 122 | 140.5 Ų | 140.5 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 159.8 | -174.4 | 35 | -34.6 | 0 | 0 | 0 | 114.2 | ||
| 307 | P | 54.3 | Low | 41.1 | Very low | 118 Ų | 118 | 141.7 Ų | 141.7 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 162.1 | 174.5 | 34.7 | -32.9 | 0 | 0 | 0 | 113.3 | ||
| 308 | P | 53.3 | Low | 40.9 | Very low | 121 Ų | 121 | 141.4 Ų | 141.4 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 156.9 | -177.3 | 32.1 | -34.1 | 0 | 0 | 0 | 113.8 | ||
| 309 | P | 51.5 | Low | 40.9 | Very low | 127 Ų | 127 | 140.6 Ų | 140.6 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 142.4 | -173.6 | 32.5 | -33.1 | 0 | 0 | 0 | 114.1 | ||
| 310 | Q | 43.4 | Very low | 41.6 | Very low | 191 Ų | 191 | 139.1 Ų | 139.1 | 89% | 0.893 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 146 | 161.5 | -72.4 | -173.7 | -59.9 | 0 | 0 | 110.5 | ||
| 311 | P | 48.7 | Very low | 41.7 | Very low | 133 Ų | 133 | 133.6 Ų | 133.6 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 139.2 | 164.6 | 32.2 | -28.3 | 0 | 0 | 0 | 112.2 | ||
| 312 | S | 36.4 | Very low | 41.2 | Very low | 107 Ų | 107 | 134.6 Ų | 134.6 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | trans | -105.4 | 137.4 | 178.9 | 37.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 313 | D | 36.2 | Very low | 41.6 | Very low | 155 Ų | 155 | 131.8 Ų | 131.8 | 83% | 0.829 | 79% | 0.789 | S | S | * | * | trans | 48.8 | 136.1 | 139.6 | -64.9 | -34.4 | 0 | 0 | 0 | 125.8 | ||||
| 314 | S | 29.8 | Very low | 41.8 | Very low | 114 Ų | 114 | 127.3 Ų | 127.3 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | -166.2 | 106 | 123.8 | 27.8 | 0 | 0 | 0 | 0 | 111 | |||||
| 315 | Q | 38.5 | Very low | 40.8 | Very low | 158 Ų | 158 | 131.1 Ų | 131.1 | 74% | 0.738 | 79% | 0.793 | S | S | * | * | 78 | 119.9 | 103.7 | -74.5 | -170.2 | 9.7 | 0 | 0 | 117.4 | |||||
| 316 | H | 34.3 | Very low | 39.8 | Very low | 166 Ų | 166 | 136.4 Ų | 136.4 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | 179.2 | 131.6 | 105.1 | -89.3 | -67.9 | 0 | 0 | 0 | 113.7 | |||||
| 317 | S | 30.2 | Very low | 38.4 | Very low | 107 Ų | 107 | 133.8 Ų | 133.8 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | trans | 14.5 | 149 | 149.6 | -45.4 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 318 | S | 30.9 | Very low | 37.4 | Very low | 119 Ų | 119 | 136.7 Ų | 136.7 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | cis | -174.7 | 154.3 | 28.5 | 11.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 319 | V | 36.3 | Very low | 36.7 | Very low | 128 Ų | 128 | 138.4 Ų | 138.4 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | -89.8 | 165.1 | 171.6 | -146.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 320 | P | 44.8 | Very low | 36.3 | Very low | 119 Ų | 119 | 138.5 Ų | 138.5 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | -146.2 | 137.5 | 76 | 32.5 | -9.8 | 0 | 0 | 0 | 116 | |||||
| 321 | V | 34.5 | Very low | 36 | Very low | 118 Ų | 118 | 133.8 Ų | 133.8 | 72% | 0.715 | 80% | 0.795 | S | S | * | * | 87.9 | 103.3 | 97.4 | 174 | 0 | 0 | 0 | 0 | 117 | |||||
| 322 | V | 32.6 | Very low | 35.2 | Very low | 127 Ų | 127 | 135.9 Ų | 135.9 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | trans | 39 | 160.9 | 130.7 | -122 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 323 | P | 46.8 | Very low | 35 | Very low | 123 Ų | 123 | 139.3 Ų | 139.3 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | cis | -143.2 | 176.8 | 14.3 | 40.1 | -16.4 | 0 | 0 | 0 | 120.2 | ||||
| 324 | A | 38.6 | Very low | 35.1 | Very low | 92 Ų | 92 | 137.9 Ų | 137.9 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | trans | -82.4 | 162.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 325 | E | 25.9 | Very low | 35.2 | Very low | 188 Ų | 188 | 138.8 Ų | 138.8 | 88% | 0.879 | 79% | 0.792 | S | S | * | * | trans | -159.2 | 125 | 149.9 | -116.2 | 172.2 | -173 | 0 | 0 | 114.3 | ||||
| 326 | Y | 31.2 | Very low | 34.9 | Very low | 232 Ų | 232 | 140.3 Ų | 140.3 | 91% | 0.91 | 79% | 0.793 | S | S | * | * | trans | 22.7 | 139.8 | 145 | -91.9 | -101.6 | 0 | 0 | 0 | 124.2 | ||||
| 327 | G | 29.1 | Very low | 34.9 | Very low | 67 Ų | 67 | 141.7 Ų | 141.7 | 69% | 0.691 | 79% | 0.792 | S | S | * | * | 136.5 | 95.8 | 129.9 | 0 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 328 | M | 31.6 | Very low | 35.4 | Very low | 178 Ų | 178 | 143.6 Ų | 143.6 | 88% | 0.877 | 79% | 0.794 | S | S | * | * | trans | 44 | 131.7 | 135.1 | -60.5 | -84.6 | 34.8 | 0 | 0 | 124.6 | ||||
| 329 | L | 40.4 | Very low | 36 | Very low | 157 Ų | 157 | 142.9 Ų | 142.9 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | trans | -71.6 | 158.8 | 166.6 | -60.9 | 171.9 | 0 | 0 | 0 | 112.6 | ||||
| 330 | P | 41.9 | Very low | 36.2 | Very low | 130 Ų | 130 | 143.8 Ų | 143.8 | 84% | 0.844 | 79% | 0.793 | S | S | * | * | -150.3 | 174 | 93.4 | 36 | -15.4 | 0 | 0 | 0 | 116.5 | |||||
| 331 | A | 37.4 | Very low | 36.2 | Very low | 92 Ų | 92 | 141.4 Ų | 141.4 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | trans | -61.8 | 153.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 332 | Q | 32.6 | Very low | 37.4 | Very low | 177 Ų | 177 | 141.5 Ų | 141.5 | 83% | 0.827 | 79% | 0.793 | S | S | * | * | 173.7 | 152.4 | 119 | -95.3 | -164.8 | -11.3 | 0 | 0 | 114.1 | |||||
| 333 | M | 31.9 | Very low | 38.6 | Very low | 179 Ų | 179 | 141.1 Ų | 141.1 | 88% | 0.882 | 79% | 0.793 | S | S | * | * | trans | 97.8 | 129.3 | 152.3 | -78.9 | 178 | 168.8 | 0 | 0 | 121.4 | ||||
| 334 | V | 37.4 | Very low | 39.6 | Very low | 124 Ų | 124 | 141 Ų | 141 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | trans | -91.6 | 140.8 | -174.4 | -173.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 335 | D | 31.5 | Very low | 41 | Very low | 133 Ų | 133 | 142.2 Ų | 142.2 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | 154.2 | 130.4 | 127 | -89.2 | -43.5 | 0 | 0 | 0 | 115.3 | |||||
| 336 | Y | 33.5 | Very low | 42.6 | Very low | 191 Ų | 191 | 139 Ų | 139 | 75% | 0.749 | 79% | 0.788 | S | S | * | * | trans | 82.6 | 109.6 | 145.6 | -86.1 | -113.5 | 0 | 0 | 0 | 124.2 | ||||
| 337 | Y | 34.7 | Very low | 44.2 | Very low | 194 Ų | 194 | 133.7 Ų | 133.7 | 76% | 0.761 | 78% | 0.782 | S | S | * | * | trans | 87.1 | 114.4 | 130.9 | -95.4 | -104.9 | 0 | 0 | 0 | 125.1 | ||||
| 338 | N | 39.6 | Very low | 46 | Very low | 148 Ų | 148 | 136.2 Ų | 136.2 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | trans | 88.5 | 142.9 | 139.9 | -124.1 | 37.9 | 0 | 0 | 0 | 122.5 | ||||
| 339 | P | 44.3 | Very low | 47 | Very low | 103 Ų | 103 | 133.4 Ų | 133.4 | 67% | 0.669 | 78% | 0.781 | S | S | * | * | trans | -107.3 | 154.9 | -150.9 | 41.4 | -33.3 | 0 | 0 | 0 | 113.8 | ||||
| 340 | T | 39.2 | Very low | 47.2 | Very low | 147 Ų | 147 | 134.8 Ų | 134.8 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | trans | -115.7 | 114.1 | 161.6 | 29.8 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 341 | G | 44.9 | Very low | 47.5 | Very low | 70 Ų | 70 | 136.3 Ų | 136.3 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 157.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 342 | P | 60.5 | Low | 47.6 | Very low | 120 Ų | 120 | 137.3 Ų | 137.3 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 154.7 | 162.9 | 31.6 | -29.6 | 0 | 0 | 0 | 112.3 | ||
| 343 | P | 58.4 | Low | 47.7 | Very low | 118 Ų | 118 | 134.7 Ų | 134.7 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 159.9 | -176 | 31 | -35.6 | 0 | 0 | 0 | 113.8 | ||
| 344 | P | 66.8 | Low | 48 | Very low | 120 Ų | 120 | 130.5 Ų | 130.5 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 152.2 | 178 | 29.9 | -34.6 | 0 | 0 | 0 | 113.5 | ||
| 345 | P | 67.8 | Low | 48 | Very low | 119 Ų | 119 | 133.7 Ų | 133.7 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 156.1 | 178.5 | 30.7 | -34.5 | 0 | 0 | 0 | 114 | ||
| 346 | P | 60.5 | Low | 48.2 | Very low | 121 Ų | 121 | 134.1 Ų | 134.1 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 159.2 | -178.3 | 30.8 | -35.4 | 0 | 0 | 0 | 114.4 | ||
| 347 | P | 64.9 | Low | 48.1 | Very low | 119 Ų | 119 | 128.6 Ų | 128.6 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 153.2 | 179.6 | 29.5 | -34.6 | 0 | 0 | 0 | 113.6 | ||
| 348 | P | 66.5 | Low | 48.1 | Very low | 120 Ų | 120 | 129.9 Ų | 129.9 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 151.7 | -179.4 | 29.2 | -34 | 0 | 0 | 0 | 113.4 | ||
| 349 | P | 52.6 | Low | 47.7 | Very low | 120 Ų | 120 | 129.2 Ų | 129.2 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 142.1 | -174.6 | 29.5 | -33.6 | 0 | 0 | 0 | 113.4 | ||
| 350 | M | 45.1 | Very low | 47 | Very low | 185 Ų | 185 | 129.9 Ų | 129.9 | 91% | 0.911 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 131.9 | 172.6 | -63.1 | -175.4 | 70 | 0 | 0 | 110.8 | P352 | M350-P352 WeakPolarHBondContact O-CD 3.31Š|
| 351 | I | 47.5 | Very low | 47.4 | Very low | 162 Ų | 162 | 128.4 Ų | 128.4 | 83% | 0.831 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -94.8 | 119.5 | 172.9 | -55.5 | 173.5 | 0 | 0 | 0 | 108.6 | ||
| 352 | P | 39.7 | Very low | 46.8 | Very low | 113 Ų | 113 | 133.6 Ų | 133.6 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -97 | 121.8 | 170 | 30.9 | -22.8 | 0 | 0 | 0 | 110.3 | M350 | M350-P352 WeakPolarHBondContact O-CD 3.31Š|
| 353 | S | 34.5 | Very low | 45.6 | Very low | 122 Ų | 122 | 136.7 Ų | 136.7 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | trans | -167.8 | 89.7 | 158.5 | -81.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 354 | A | 38.3 | Very low | 44.3 | Very low | 92 Ų | 92 | 138 Ų | 138 | 76% | 0.76 | 82% | 0.818 | S | S | * | * | trans | -104.6 | 108.2 | 142.7 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 355 | Q | 38 | Very low | 43 | Very low | 191 Ų | 191 | 137.4 Ų | 137.4 | 89% | 0.893 | 81% | 0.814 | S | S | * | * | trans | 172.8 | 100.7 | 159.2 | -99 | 163.3 | 76.8 | 0 | 0 | 111.9 | ||||
| 356 | T | 35.4 | Very low | 41.3 | Very low | 142 Ų | 142 | 139.3 Ų | 139.3 | 87% | 0.871 | 82% | 0.817 | S | S | * | * | trans | -163.6 | 104.6 | 150.9 | -23.8 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 357 | A | 30.3 | Very low | 40.4 | Very low | 75 Ų | 75 | 139.4 Ų | 139.4 | 62% | 0.62 | 82% | 0.817 | S | S | * | * | 111.1 | 107.7 | 75.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 358 | F | 35 | Very low | 38.9 | Very low | 221 Ų | 221 | 137.7 Ų | 137.7 | 97% | 0.969 | 81% | 0.814 | S | S | * | * | trans | -138.4 | 114.5 | 146.8 | -86.4 | -77 | 0 | 0 | 0 | 107.9 | ||||
| 359 | V | 31.1 | Very low | 37.4 | Very low | 133 Ų | 133 | 136.6 Ų | 136.6 | 81% | 0.806 | 81% | 0.809 | S | S | * | * | trans | -113.4 | 123.9 | 168.9 | 166 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 360 | S | 30.8 | Very low | 36.5 | Very low | 117 Ų | 117 | 139 Ų | 139 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | -167 | 148.8 | 125.9 | -85.3 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 361 | P | 47.3 | Very low | 36 | Very low | 116 Ų | 116 | 135.9 Ų | 135.9 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | trans | -106.4 | 160.3 | -162.1 | 39 | -28.9 | 0 | 0 | 0 | 113.4 | ||||
| 362 | L | 32.2 | Very low | 35.2 | Very low | 180 Ų | 180 | 131.7 Ų | 131.7 | 94% | 0.942 | 80% | 0.803 | S | S | * | * | trans | -131.7 | 122.9 | 155.7 | -90.2 | 164.8 | 0 | 0 | 0 | 109.5 | ||||
| 363 | Q | 34.8 | Very low | 35 | Very low | 185 Ų | 185 | 134 Ų | 134 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | trans | -64.2 | 153.1 | 173.9 | -92.5 | 157.1 | -73 | 0 | 0 | 112.7 | ||||
| 364 | V | 32.3 | Very low | 35.1 | Very low | 144 Ų | 144 | 134.2 Ų | 134.2 | 87% | 0.873 | 80% | 0.804 | S | S | * | * | 171.5 | 148.8 | 127.3 | 156.2 | 0 | 0 | 0 | 0 | 109 | |||||
| 365 | P | 38.4 | Very low | 35 | Very low | 109 Ų | 109 | 135.9 Ų | 135.9 | 71% | 0.708 | 81% | 0.805 | S | S | * | * | trans | -111.2 | 163 | -134.2 | 40.1 | -33.3 | 0 | 0 | 0 | 117.9 | ||||
| 366 | L | 31.5 | Very low | 34.7 | Very low | 159 Ų | 159 | 130 Ų | 130 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | trans | 18.8 | 158.5 | 149.8 | -107.3 | 81.8 | 0 | 0 | 0 | 121.7 | ||||
| 367 | P | 43.3 | Very low | 35.3 | Very low | 122 Ų | 122 | 129.4 Ų | 129.4 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | cis | -138.2 | 167.3 | 38.6 | 32.2 | -8.4 | 0 | 0 | 0 | 118.6 | ||||
| 368 | A | 33.5 | Very low | 35.5 | Very low | 84 Ų | 84 | 131.5 Ų | 131.5 | 69% | 0.694 | 80% | 0.799 | S | S | * | * | trans | -87.9 | 153.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 369 | S | 33.3 | Very low | 35.6 | Very low | 97 Ų | 97 | 132.3 Ų | 132.3 | 68% | 0.678 | 80% | 0.797 | S | S | * | * | trans | -130.5 | 105.9 | 167.6 | -70.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 370 | H | 35.1 | Very low | 35.7 | Very low | 169 Ų | 169 | 130.5 Ų | 130.5 | 78% | 0.782 | 80% | 0.796 | S | S | * | * | trans | 19 | 142.1 | 143 | 38.9 | -90.3 | 0 | 0 | 0 | 123.5 | ||||
| 371 | S | 34.4 | Very low | 35.9 | Very low | 121 Ų | 121 | 128.9 Ų | 128.9 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | trans | -71 | 159.1 | 169.6 | -159.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 372 | G | 29.9 | Very low | 35.2 | Very low | 74 Ų | 74 | 130.1 Ų | 130.1 | 76% | 0.763 | 80% | 0.796 | S | S | * | * | trans | 178.6 | 112.4 | 165.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 373 | L | 35.9 | Very low | 35.3 | Very low | 162 Ų | 162 | 129.8 Ų | 129.8 | 85% | 0.848 | 79% | 0.789 | S | S | * | * | trans | -55.1 | 158.9 | 165.3 | -89.4 | 77.6 | 0 | 0 | 0 | 112.9 | ||||
| 374 | V | 36.5 | Very low | 35.2 | Very low | 126 Ų | 126 | 128.4 Ų | 128.4 | 76% | 0.764 | 79% | 0.787 | S | S | * | * | 179 | 120.5 | 124.1 | 147.4 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 375 | T | 35.4 | Very low | 36 | Very low | 127 Ų | 127 | 126.7 Ų | 126.7 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | trans | 47.6 | 132.1 | 143.7 | 68.8 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 376 | G | 33.6 | Very low | 36.4 | Very low | 68 Ų | 68 | 127.5 Ų | 127.5 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | trans | -71.2 | -172.3 | 161.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 377 | P | 47.6 | Very low | 36.6 | Very low | 128 Ų | 128 | 126 Ų | 126 | 83% | 0.831 | 79% | 0.786 | S | S | * | * | -144.9 | 168.4 | 75.3 | 36.2 | -16.7 | 0 | 0 | 0 | 117.4 | |||||
| 378 | T | 34.5 | Very low | 36.4 | Very low | 120 Ų | 120 | 125.7 Ų | 125.7 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | trans | -46.8 | 144.8 | 169.5 | 40.5 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 379 | Y | 36.4 | Very low | 36.6 | Very low | 238 Ų | 238 | 125.1 Ų | 125.1 | 93% | 0.933 | 79% | 0.789 | S | S | * | * | trans | -145.4 | 123.2 | 131 | -89.3 | -79.7 | 0 | 0 | 0 | 111.1 | ||||
| 380 | A | 33.6 | Very low | 36.8 | Very low | 94 Ų | 94 | 128.4 Ų | 128.4 | 78% | 0.777 | 80% | 0.798 | S | S | * | * | trans | -76.1 | 170.3 | 162.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 381 | A | 33.9 | Very low | 37.1 | Very low | 83 Ų | 83 | 126.8 Ų | 126.8 | 69% | 0.686 | 80% | 0.8 | S | S | * | * | cis | -177.2 | 150.9 | -10.3 | 0 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 382 | T | 33.6 | Very low | 37.4 | Very low | 143 Ų | 143 | 127.6 Ų | 127.6 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | trans | -158.7 | 109.4 | 151.1 | 43.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 383 | H | 34.6 | Very low | 38 | Very low | 173 Ų | 173 | 129.7 Ų | 129.7 | 80% | 0.801 | 80% | 0.798 | S | S | * | * | trans | -10.1 | 144.4 | 140.1 | -83 | -96.4 | 0 | 0 | 0 | 118.2 | ||||
| 384 | L | 32.9 | Very low | 38.5 | Very low | 156 Ų | 156 | 126.2 Ų | 126.2 | 82% | 0.817 | 79% | 0.792 | S | S | * | * | 176.8 | -176 | 57.1 | -97.1 | 134.8 | 0 | 0 | 0 | 107.7 | |||||
| 385 | P | 47.3 | Very low | 39.4 | Very low | 107 Ų | 107 | 125.8 Ų | 125.8 | 70% | 0.695 | 79% | 0.792 | S | S | * | * | cis | -128.6 | 179 | -32.5 | 35.9 | -17.9 | 0 | 0 | 0 | 113 | ||||
| 386 | P | 46.7 | Very low | 40.7 | Very low | 126 Ų | 126 | 125.4 Ų | 125.4 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -91.3 | 144.7 | 167.5 | 35.3 | -28.1 | 0 | 0 | 0 | 111.3 | ||||
| 387 | S | 37.5 | Very low | 42.2 | Very low | 127 Ų | 127 | 127.7 Ų | 127.7 | 89% | 0.888 | 80% | 0.795 | S | S | * | * | trans | -144.7 | 144.5 | 168.6 | -151.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 388 | S | 38.3 | Very low | 43 | Very low | 116 Ų | 116 | 127.8 Ų | 127.8 | 81% | 0.811 | 80% | 0.795 | S | S | * | * | trans | -69.4 | 151.8 | -168.3 | -55.8 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 389 | G | 37.3 | Very low | 44.4 | Very low | 72 Ų | 72 | 125.2 Ų | 125.2 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | trans | 50.2 | 102.9 | 138.3 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 390 | L | 38.4 | Very low | 45.9 | Very low | 166 Ų | 166 | 119.7 Ų | 119.7 | 87% | 0.869 | 79% | 0.786 | S | S | * | * | trans | -137.3 | 125.2 | 146 | -76.5 | 178 | 0 | 0 | 0 | 110.4 | V392 | L390-V392 PolarHBondContact O-N 2.9Š| ||
| 391 | V | 41.3 | Very low | 47.5 | Very low | 135 Ų | 135 | 120.8 Ų | 120.8 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -58.9 | 115.9 | 169.8 | 175.8 | 0 | 0 | 0 | 0 | 108.4 | T393 | V391-T393 HydrophobicContact CG1-CG2 4.31Š| ||
| 392 | V | 41 | Very low | 49.1 | Very low | 138 Ų | 138 | 122.4 Ų | 122.4 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | trans | -102 | 105 | 166.7 | 177.4 | 0 | 0 | 0 | 0 | 107.5 | L390 | L390-V392 PolarHBondContact O-N 2.9Š| ||
| 393 | T | 42.8 | Very low | 50.7 | Low | 119 Ų | 119 | 121.3 Ų | 121.3 | 73% | 0.73 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 126.1 | 170.9 | 47.4 | 0 | 0 | 0 | 0 | 109.9 | V391 | V391-T393 HydrophobicContact CG1-CG2 4.31Š|
| 394 | A | 45.9 | Very low | 52.2 | Low | 88 Ų | 88 | 118.5 Ų | 118.5 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 147.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 395 | P | 55.2 | Low | 53.6 | Low | 118 Ų | 118 | 117.3 Ų | 117.3 | 77% | 0.766 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -68 | 146.1 | 173.6 | 28.6 | -32.3 | 0 | 0 | 0 | 110.7 | ||
| 396 | P | 61.6 | Low | 54 | Low | 118 Ų | 118 | 115.3 Ų | 115.3 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 150.7 | -179.7 | 28.3 | -33.7 | 0 | 0 | 0 | 111.6 | ||
| 397 | P | 65.6 | Low | 54.5 | Low | 117 Ų | 117 | 115.2 Ų | 115.2 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 149.6 | 178.8 | 28 | -34 | 0 | 0 | 0 | 111.7 | ||
| 398 | P | 65 | Low | 55 | Low | 130 Ų | 130 | 115.5 Ų | 115.5 | 84% | 0.844 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 137 | 173.3 | 24.8 | -30.7 | 0 | 0 | 0 | 110.9 | ||
| 399 | G | 63 | Low | 55 | Low | 65 Ų | 65 | 114.7 Ų | 114.7 | 67% | 0.67 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 162.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 400 | P | 68.1 | Low | 55 | Low | 123 Ų | 123 | 116.3 Ų | 116.3 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 148.7 | -179.3 | 27.2 | -33.5 | 0 | 0 | 0 | 112 | ||
| 401 | P | 68.6 | Low | 54.9 | Low | 116 Ų | 116 | 112.2 Ų | 112.2 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 153.1 | 176.9 | 27.7 | -34 | 0 | 0 | 0 | 112 | ||
| 402 | P | 67.6 | Low | 54.6 | Low | 118 Ų | 118 | 111.2 Ų | 111.2 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 150.2 | 178.9 | 27.1 | -33.9 | 0 | 0 | 0 | 112.1 | ||
| 403 | P | 67.1 | Low | 54.3 | Low | 119 Ų | 119 | 109.6 Ų | 109.6 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 150.1 | 179.1 | 28.2 | -34 | 0 | 0 | 0 | 112.1 | ||
| 404 | P | 65.3 | Low | 53.9 | Low | 115 Ų | 115 | 111.8 Ų | 111.8 | 75% | 0.747 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 151.2 | 177.7 | 27.2 | -33.4 | 0 | 0 | 0 | 112.1 | G406 | P404-G406 PolarHBondContact O-N 3.34Š|
| 405 | P | 61.4 | Low | 53.1 | Low | 131 Ų | 131 | 113 Ų | 113 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 132.2 | 174.8 | -17.3 | 29.6 | 0 | 0 | 0 | 111.3 | ||
| 406 | G | 56.7 | Low | 51.9 | Low | 65 Ų | 65 | 112.7 Ų | 112.7 | 67% | 0.67 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 156.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | P404 | P404-G406 PolarHBondContact O-N 3.34Š|
| 407 | P | 57 | Low | 50.7 | Low | 124 Ų | 124 | 112.4 Ų | 112.4 | 81% | 0.805 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 148.7 | 177.7 | 29 | -33.2 | 0 | 0 | 0 | 111.4 | ||
| 408 | P | 48.1 | Very low | 50 | Low | 132 Ų | 132 | 111.8 Ų | 111.8 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 135.9 | 179.7 | 26.8 | -31.5 | 0 | 0 | 0 | 111.4 | ||
| 409 | A | 37.7 | Very low | 48.5 | Very low | 100 Ų | 100 | 112.8 Ų | 112.8 | 83% | 0.826 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 137.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | G411 | A409-G411 PolarHBondContact O-N 3.35Š|
| 410 | A | 38.4 | Very low | 47.1 | Very low | 106 Ų | 106 | 118 Ų | 118 | 88% | 0.876 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 121.7 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 411 | G | 36.3 | Very low | 45.1 | Very low | 79 Ų | 79 | 116.2 Ų | 116.2 | 81% | 0.814 | 78% | 0.782 | S | S | * | * | trans | -111.6 | 115.5 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | A409 | A409-G411 PolarHBondContact O-N 3.35Š| ||
| 412 | S | 35.3 | Very low | 44.3 | Very low | 114 Ų | 114 | 116 Ų | 116 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | trans | -74.7 | 144 | 170.1 | -56 | 0 | 0 | 0 | 0 | 111 | ||||
| 413 | S | 33 | Very low | 42.4 | Very low | 104 Ų | 104 | 118 Ų | 118 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | 136.9 | 115.3 | 125.4 | -59.8 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 414 | L | 34.2 | Very low | 40.6 | Very low | 166 Ų | 166 | 116.3 Ų | 116.3 | 87% | 0.869 | 78% | 0.78 | S | S | * | * | trans | 87.5 | 121.5 | 133.1 | -60.6 | 172.2 | 0 | 0 | 0 | 123 | ||||
| 415 | S | 30.2 | Very low | 39.1 | Very low | 113 Ų | 113 | 115.4 Ų | 115.4 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | trans | 88.5 | 108.9 | 132.2 | -161.4 | 0 | 0 | 0 | 0 | 120 | ||||
| 416 | S | 30.6 | Very low | 37.7 | Very low | 112 Ų | 112 | 117.3 Ų | 117.3 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | 162.3 | 125.6 | 101.5 | 60.2 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 417 | S | 35.6 | Very low | 36.4 | Very low | 112 Ų | 112 | 118.9 Ų | 118.9 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | trans | -76.5 | -167.6 | 164.9 | -46.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 418 | P | 51.7 | Low | 35.3 | Very low | 104 Ų | 104 | 121.5 Ų | 121.5 | 68% | 0.675 | 79% | 0.785 | S | S | * | * | cis | -133.7 | -177.9 | -16.2 | 21.9 | 3.6 | 0 | 0 | 0 | 112.4 | ||||
| 419 | M | 33.3 | Very low | 34.5 | Very low | 150 Ų | 150 | 124.4 Ų | 124.4 | 74% | 0.739 | 78% | 0.779 | S | S | * | * | 170.7 | 125.5 | 127.7 | -88.1 | -68.9 | 101 | 0 | 0 | 114.3 | |||||
| 420 | H | 32.8 | Very low | 34.2 | Very low | 174 Ų | 174 | 127.3 Ų | 127.3 | 81% | 0.806 | 78% | 0.775 | S | S | * | * | trans | 56.4 | 126.3 | 138.3 | -96.3 | -98.8 | 0 | 0 | 0 | 124.1 | ||||
| 421 | A | 27.4 | Very low | 33.9 | Very low | 86 Ų | 86 | 130.3 Ų | 130.3 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | trans | -71.8 | -160.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 422 | P | 50.4 | Low | 34 | Very low | 112 Ų | 112 | 132.6 Ų | 132.6 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | cis | -139.8 | -170.9 | -11.8 | 33.7 | -10.6 | 0 | 0 | 0 | 114.3 | ||||
| 423 | L | 28.4 | Very low | 34.1 | Very low | 159 Ų | 159 | 131.6 Ų | 131.6 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | trans | 156.1 | 106.6 | 133.5 | -79.7 | 168.4 | 0 | 0 | 0 | 110.4 | ||||
| 424 | A | 28.6 | Very low | 34.3 | Very low | 84 Ų | 84 | 135.2 Ų | 135.2 | 69% | 0.694 | 78% | 0.775 | S | S | * | * | 81 | 106 | 87.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 425 | A | 34.1 | Very low | 34.5 | Very low | 96 Ų | 96 | 132 Ų | 132 | 79% | 0.793 | 77% | 0.765 | S | S | * | * | 76.1 | 133.8 | 90.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 426 | E | 31.4 | Very low | 35.1 | Very low | 172 Ų | 172 | 132.9 Ų | 132.9 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | -163.6 | 157.4 | 56.7 | -74.9 | -170.8 | 106.3 | 0 | 0 | 112.7 | |||||
| 427 | A | 30 | Very low | 35.9 | Very low | 97 Ų | 97 | 135.1 Ų | 135.1 | 80% | 0.802 | 77% | 0.769 | S | S | * | * | -175.7 | 110.6 | 117.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 428 | K | 33 | Very low | 36.8 | Very low | 180 Ų | 180 | 134.4 Ų | 134.4 | 78% | 0.783 | 76% | 0.764 | S | S | * | * | trans | 12.8 | 148.1 | 136.1 | -88.5 | 171.5 | 179.4 | 168.1 | 0 | 119.6 | ||||
| 429 | R | 32 | Very low | 37.6 | Very low | 192 Ų | 192 | 134.2 Ų | 134.2 | 73% | 0.725 | 76% | 0.757 | S | S | * | * | cis | -176.8 | 163.9 | 6.8 | -157.3 | -179.9 | -163.3 | -106.1 | 16.2 | 109.1 | ||||
| 430 | H | 31.2 | Very low | 39.4 | Very low | 162 Ų | 162 | 130.8 Ų | 130.8 | 75% | 0.75 | 75% | 0.753 | S | S | * | * | trans | 98 | 135.8 | 152.7 | -76.3 | 111.9 | 0 | 0 | 0 | 123.1 | ||||
| 431 | E | 32 | Very low | 40.9 | Very low | 169 Ų | 169 | 130.9 Ų | 130.9 | 79% | 0.79 | 75% | 0.746 | S | S | * | * | trans | -114.1 | 150.4 | -170.9 | 160.5 | 178.2 | 169.3 | 0 | 0 | 109.3 | ||||
| 432 | P | 39.2 | Very low | 43 | Very low | 127 Ų | 127 | 129.9 Ų | 129.9 | 83% | 0.825 | 73% | 0.734 | S | S | * | * | -148.7 | 165.7 | 87 | 34 | -9.9 | 0 | 0 | 0 | 118.2 | |||||
| 433 | A | 36.7 | Very low | 43.9 | Very low | 92 Ų | 92 | 129.7 Ų | 129.7 | 76% | 0.76 | 73% | 0.727 | S | S | * | * | trans | -67.4 | 145.4 | -166.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 434 | Q | 37.6 | Very low | 46.1 | Very low | 180 Ų | 180 | 127.1 Ų | 127.1 | 84% | 0.841 | 71% | 0.714 | S | S | * | * | trans | -137.4 | 153 | 164.7 | -83.9 | -100.7 | -27 | 0 | 0 | 108.7 | ||||
| 435 | P | 38.1 | Very low | 48.2 | Very low | 100 Ų | 100 | 126.7 Ų | 126.7 | 65% | 0.649 | 70% | 0.699 | S | S | * | * | trans | -66.3 | 161 | -168.4 | 28.1 | -35 | 0 | 0 | 0 | 113.8 | I437 | P435-I437 PolarHBondContact O-N 2.74Š| ||
| 436 | P | 44 | Very low | 50 | Low | 131 Ų | 131 | 124 Ų | 124 | 85% | 0.851 | 68% | 0.677 | S | S | * | * | trans | -73.6 | 103.3 | -159.3 | 30.1 | -33.8 | 0 | 0 | 0 | 111.8 | S438 | P436-S438 PolarHBondContact O-N 2.94Š| ||
| 437 | I | 45.8 | Very low | 51.8 | Low | 158 Ų | 158 | 118.6 Ų | 118.6 | 81% | 0.81 | 66% | 0.661 | S | S | * | * | trans | -64.8 | 120.2 | 151 | 38 | 169.5 | 0 | 0 | 0 | 107.3 | P435 D439 | P435-I437 PolarHBondContact O-N 2.74Å; I437-D439 VanDerWaalsContact C-N 3.32Å; I437-D439 PolarHBondContact O-N 3.14Å | ||
| 438 | S | 56.3 | Low | 53.6 | Low | 98 Ų | 98 | 119.2 Ų | 119.2 | 69% | 0.685 | 65% | 0.65 | S | S | * | * | trans | -62.9 | 96.9 | 172.5 | 58.7 | 0 | 0 | 0 | 0 | 108.6 | P436 | P436-S438 PolarHBondContact O-N 2.94Š| ||
| 439 | D | 68.4 | Low | 55.3 | Low | 99 Ų | 99 | 120 Ų | 120 | 53% | 0.529 | 65% | 0.648 | S | S | . | * | trans | -62 | 133.4 | 180 | -172.7 | -4.2 | 0 | 0 | 0 | 109.2 | I437 R441 S442 D443 | I437-D439 VanDerWaalsContact C-N 3.32Å; I437-D439 PolarHBondContact O-N 3.14Å; D439-R441 PolarHBondContact O-N 3.46Å; D439-R441 PolarHBondContact OD1-N 3.1Å; D439-S442 WeakPolarHBondContact O-CA 3.46Å; D439-S442 VanDerWaalsContact O-CB 3.23Å; D439-S442 WeakPolarHBondContact O-CB 3.37Å; D439-S442 PolarHBondContact O-N 3.33Å; D439-D443 PolarHBondContact O-N 3.4Å | ||
| 440 | A | 70.1 | Confident | 56.8 | Low | 78 Ų | 78 | 118.4 Ų | 118.4 | 65% | 0.645 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -53.5 | -25.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L444 | A440-L444 WeakPolarHBondContact O-CB 3.37Å; A440-L444 PolarHBondContact O-N 3.13Å |
| 441 | R | 64.6 | Low | 57.6 | Low | 177 Ų | 177 | 112.7 Ų | 112.7 | 67% | 0.668 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -68 | -37.2 | 171.7 | -168.2 | 177.8 | -178.6 | -179.3 | 0.8 | 113.3 | D439 L444 L445 | D439-R441 PolarHBondContact O-N 3.46Å; D439-R441 PolarHBondContact OD1-N 3.1Å; R441-L444 PolarHBondContact O-N 2.78Å; R441-L445 HydrophobicContact CG-CD1 4.29Å; R441-L445 WeakPolarHBondContact O-CB 3.43Å; R441-L445 VanDerWaalsContact O-CG 3.26Å; R441-L445 WeakPolarHBondContact O-CG 3.3Å; R441-L445 PolarHBondContact O-N 3.17Å |
| 442 | S | 72.1 | Confident | 58.6 | Low | 65 Ų | 65 | 112.3 Ų | 112.3 | 46% | 0.455 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -66.1 | -41.5 | 174.1 | -177 | 0 | 0 | 0 | 0 | 111.2 | D439 L445 A446 | D439-S442 WeakPolarHBondContact O-CA 3.46Å; D439-S442 VanDerWaalsContact O-CB 3.23Å; D439-S442 WeakPolarHBondContact O-CB 3.37Å; D439-S442 PolarHBondContact O-N 3.33Å; S442-L445 PolarHBondContact O-N 3.21Å; S442-A446 VanDerWaalsContact O-CB 3.31Å; S442-A446 WeakPolarHBondContact O-CB 3.37Å; S442-A446 PolarHBondContact O-N 3.41Å |
| 443 | D | 69.2 | Low | 59.3 | Low | 107 Ų | 107 | 114.9 Ų | 114.9 | 57% | 0.572 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -64.6 | -41.8 | 174.6 | -101.4 | 5.3 | 0 | 0 | 0 | 111.9 | D439 A446 A447 | D439-D443 PolarHBondContact O-N 3.4Å; D443-A446 PolarHBondContact O-N 3.28Å; D443-A447 WeakPolarHBondContact O-CB 3.38Å; D443-A447 PolarHBondContact O-N 3.24Å |
| 444 | L | 74.7 | Confident | 59.8 | Low | 106 Ų | 106 | 118.3 Ų | 118.3 | 56% | 0.555 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -62.2 | -44.7 | 174 | -179.9 | 63.3 | 0 | 0 | 0 | 111.5 | A440 R441 A446 A447 I448 | A440-L444 WeakPolarHBondContact O-CB 3.37Å; A440-L444 PolarHBondContact O-N 3.13Å; R441-L444 PolarHBondContact O-N 2.78Å; L444-A446 VanDerWaalsContact C-N 3.32Å; L444-A446 PolarHBondContact O-N 3.46Å; L444-A447 PolarHBondContact O-N 3.21Å; L444-I448 HydrophobicContact CD1-CD1 4.19Å; L444-I448 HydrophobicContact CD1-CG1 4.46Å; L444-I448 HydrophobicContact CG-CD1 3.92Å; L444-I448 WeakPolarHBondContact O-CB 3.39Å; L444-I448 WeakPolarHBondContact O-CD1 3.45Å; L444-I448 WeakPolarHBondContact O-CG1 3.23Å; L444-I448 PolarHBondContact O-N 3.35Å |
| 445 | L | 72.4 | Confident | 60.7 | Low | 74 Ų | 74 | 118.6 Ų | 118.6 | 39% | 0.387 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -70.2 | -29.1 | 177.8 | -71 | 170.5 | 0 | 0 | 0 | 112.4 | R441 S442 I448 R449 | R441-L445 HydrophobicContact CG-CD1 4.29Å; R441-L445 WeakPolarHBondContact O-CB 3.43Å; R441-L445 VanDerWaalsContact O-CG 3.26Å; R441-L445 WeakPolarHBondContact O-CG 3.3Å; R441-L445 PolarHBondContact O-N 3.17Å; S442-L445 PolarHBondContact O-N 3.21Å; L445-I448 HydrophobicContact CD2-CD1 4.41Å; L445-R449 WeakPolarHBondContact O-CB 3.25Å; L445-R449 VanDerWaalsContact O-CG 3.31Å; L445-R449 WeakPolarHBondContact O-CG 3.31Å; L445-R449 PolarHBondContact O-N 2.99Å; L445-R449 PolarHBondContact O-NE 3.39Å |
| 446 | A | 71.9 | Confident | 61.6 | Low | 39 Ų | 39 | 123.1 Ų | 123.1 | 32% | 0.322 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -68.6 | -44.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | S442 D443 L444 I448 R449 M450 | S442-A446 VanDerWaalsContact O-CB 3.31Å; S442-A446 WeakPolarHBondContact O-CB 3.37Å; S442-A446 PolarHBondContact O-N 3.41Å; D443-A446 PolarHBondContact O-N 3.28Å; L444-A446 VanDerWaalsContact C-N 3.32Å; L444-A446 PolarHBondContact O-N 3.46Å; A446-I448 VanDerWaalsContact C-N 3.34Å; A446-I448 PolarHBondContact O-N 3.46Å; A446-R449 CarbonylContact O-C 3.53Å; A446-R449 PolarHBondContact O-N 2.92Å; A446-R449 VanDerWaalsContact O-N 3.16Å; A446-M450 WeakPolarHBondContact O-CB 3.44Å; A446-M450 WeakPolarHBondContact O-CG 3.46Å; A446-M450 PolarHBondContact O-N 3.46Å |
| 447 | A | 69.4 | Low | 61.9 | Low | 59 Ų | 59 | 122.9 Ų | 122.9 | 49% | 0.488 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -62.5 | -38.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | D443 L444 M450 G451 | D443-A447 WeakPolarHBondContact O-CB 3.38Å; D443-A447 PolarHBondContact O-N 3.24Å; L444-A447 PolarHBondContact O-N 3.21Å; A447-M450 PolarHBondContact O-N 3.4Å; A447-G451 PolarHBondContact O-N 3.27Å |
| 448 | I | 66.6 | Low | 62.1 | Low | 111 Ų | 111 | 122.8 Ų | 122.8 | 57% | 0.569 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -66.7 | -42.2 | 173.6 | -68.7 | 164.4 | 0 | 0 | 0 | 110.6 | L444 L445 A446 M450 G451 | L444-I448 HydrophobicContact CD1-CD1 4.19Å; L444-I448 HydrophobicContact CD1-CG1 4.46Å; L444-I448 HydrophobicContact CG-CD1 3.92Å; L444-I448 WeakPolarHBondContact O-CB 3.39Å; L444-I448 WeakPolarHBondContact O-CD1 3.45Å; L444-I448 WeakPolarHBondContact O-CG1 3.23Å; L444-I448 PolarHBondContact O-N 3.35Å; L445-I448 HydrophobicContact CD2-CD1 4.41Å; A446-I448 VanDerWaalsContact C-N 3.34Å; A446-I448 PolarHBondContact O-N 3.46Å; I448-M450 VanDerWaalsContact C-N 3.32Å; I448-M450 PolarHBondContact O-N 3.02Å; I448-G451 PolarHBondContact O-N 3.4Å |
| 449 | R | 69.8 | Low | 62 | Low | 195 Ų | 195 | 124 Ų | 124 | 74% | 0.736 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -66.1 | -32.2 | 175.3 | -81.5 | -176.9 | -96.2 | -126.2 | 4.9 | 113.1 | L445 A446 G451 | L445-R449 WeakPolarHBondContact O-CB 3.25Å; L445-R449 VanDerWaalsContact O-CG 3.31Å; L445-R449 WeakPolarHBondContact O-CG 3.31Å; L445-R449 PolarHBondContact O-N 2.99Å; L445-R449 PolarHBondContact O-NE 3.39Å; A446-R449 CarbonylContact O-C 3.53Å; A446-R449 PolarHBondContact O-N 2.92Å; A446-R449 VanDerWaalsContact O-N 3.16Å; R449-G451 VanDerWaalsContact C-N 3.29Å |
| 450 | M | 63.8 | Low | 61 | Low | 159 Ų | 159 | 126.7 Ų | 126.7 | 78% | 0.783 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -76 | -15.3 | 178.1 | -68 | -128.8 | 71.1 | 0 | 0 | 113.2 | A446 A447 I448 | A446-M450 WeakPolarHBondContact O-CB 3.44Å; A446-M450 WeakPolarHBondContact O-CG 3.46Å; A446-M450 PolarHBondContact O-N 3.46Å; A447-M450 PolarHBondContact O-N 3.4Å; I448-M450 VanDerWaalsContact C-N 3.32Å; I448-M450 PolarHBondContact O-N 3.02Å |
| 451 | G | 46.8 | Very low | 60.4 | Low | 42 Ų | 42 | 132.7 Ų | 132.7 | 43% | 0.433 | 65% | 0.654 | S | S | . | * | trans | 71.9 | 146.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | A447 I448 R449 Q453 | A447-G451 PolarHBondContact O-N 3.27Å; I448-G451 PolarHBondContact O-N 3.4Å; R449-G451 VanDerWaalsContact C-N 3.29Å; G451-Q453 PolarHBondContact O-N 3.44Å | ||
| 452 | I | 54 | Low | 60.1 | Low | 161 Ų | 161 | 129.5 Ų | 129.5 | 83% | 0.826 | 65% | 0.646 | S | S | * | * | trans | -67.6 | 98.9 | -173.2 | -58 | 168.7 | 0 | 0 | 0 | 110.1 | L454 | I452-L454 HydrophobicContact CG2-CD2 4Å; I452-L454 HydrophobicContact CG2-CG 4.14Å | ||
| 453 | Q | 53.8 | Low | 59 | Low | 181 Ų | 181 | 132.7 Ų | 132.7 | 85% | 0.846 | 65% | 0.654 | S | S | * | * | trans | -85 | 107.5 | 157.3 | -73.4 | -170.1 | 14.1 | 0 | 0 | 108.4 | G451 K455 | G451-Q453 PolarHBondContact O-N 3.44Å; Q453-K455 PolarHBondContact O-N 3.45Å | ||
| 454 | L | 46.8 | Very low | 58.4 | Low | 165 Ų | 165 | 134.6 Ų | 134.6 | 86% | 0.864 | 66% | 0.659 | S | S | * | * | trans | -63.5 | 92.8 | 175.9 | -69.5 | 166.5 | 0 | 0 | 0 | 110.4 | I452 | I452-L454 HydrophobicContact CG2-CD2 4Å; I452-L454 HydrophobicContact CG2-CG 4.14Å | ||
| 455 | K | 56.8 | Low | 57.5 | Low | 186 Ų | 186 | 133.1 Ų | 133.1 | 81% | 0.809 | 66% | 0.663 | S | S | * | * | trans | -78 | 133.3 | 163.4 | -105.8 | -177.1 | 174.5 | -179.5 | 0 | 109.5 | Q453 V457 | Q453-K455 PolarHBondContact O-N 3.45Å; K455-V457 PolarHBondContact O-N 2.88Å | ||
| 456 | K | 55.8 | Low | 56.6 | Low | 194 Ų | 194 | 137.7 Ų | 137.7 | 84% | 0.843 | 68% | 0.68 | S | S | * | * | trans | -56.9 | 125.5 | -178.9 | -82.6 | 175.3 | 174.5 | 172 | 0 | 111.5 | Q458 | K456-Q458 PolarHBondContact O-N 3.29Š| ||
| 457 | V | 50.2 | Low | 55.6 | Low | 127 Ų | 127 | 146.6 Ų | 146.6 | 77% | 0.77 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.7 | -4.3 | -179.9 | 176.6 | 0 | 0 | 0 | 0 | 114.9 | K455 E459 | K455-V457 PolarHBondContact O-N 2.88Å; V457-E459 PolarHBondContact O-N 2.72Å |
| 458 | Q | 51.8 | Low | 54.4 | Low | 155 Ų | 155 | 151.3 Ų | 151.3 | 72% | 0.724 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -66.5 | -32.8 | -176.6 | -163.7 | 72.6 | 9 | 0 | 0 | 113.3 | K456 | K456-Q458 PolarHBondContact O-N 3.29Å |
| 459 | E | 53.8 | Low | 53.7 | Low | 124 Ų | 124 | 151.3 Ų | 151.3 | 58% | 0.579 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -80.2 | -28.6 | -170 | -165.7 | 172.2 | -173.6 | 0 | 0 | 113.4 | V457 Q463 | V457-E459 PolarHBondContact O-N 2.72Å; E459-Q463 PolarHBondContact O-N 3.39Å |
| 460 | Q | 47.3 | Very low | 53.3 | Low | 156 Ų | 156 | 146.6 Ų | 146.6 | 73% | 0.729 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -75.7 | -36.6 | -179.3 | -163.5 | 172.1 | 23.5 | 0 | 0 | 112.1 | E462 Q463 E464 | Q460-E462 VanDerWaalsContact C-N 3.28Å; Q460-E462 PolarHBondContact O-N 3.39Å; Q460-Q463 PolarHBondContact O-N 3.27Å; Q460-E464 PolarHBondContact O-N 3.35Å |
| 461 | R | 57.3 | Low | 52.7 | Low | 204 Ų | 204 | 140.7 Ų | 140.7 | 77% | 0.77 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -66.8 | -30.1 | 176.6 | -163.4 | 178 | -173.2 | -164.7 | 1.6 | 112.4 | A465 | R461-A465 PolarHBondContact O-N 3.45Å |
| 462 | E | 58.7 | Low | 53.2 | Low | 109 Ų | 109 | 145.9 Ų | 145.9 | 51% | 0.509 | 72% | 0.715 | S | S | . | * | H | α-helix | trans | -75.8 | -29.7 | 178.8 | -161.1 | -179.9 | 165.8 | 0 | 0 | 112.7 | Q460 | Q460-E462 VanDerWaalsContact C-N 3.28Å; Q460-E462 PolarHBondContact O-N 3.39Å |
| 463 | Q | 48.9 | Very low | 54.2 | Low | 132 Ų | 132 | 142.4 Ų | 142.4 | 62% | 0.617 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -76 | -32.9 | 174.5 | -71.5 | -172.7 | 24.2 | 0 | 0 | 112.6 | E459 Q460 K466 | E459-Q463 PolarHBondContact O-N 3.39Å; Q460-Q463 PolarHBondContact O-N 3.27Å; Q463-K466 PolarHBondContact O-N 2.99Å |
| 464 | E | 55.4 | Low | 54.9 | Low | 147 Ų | 147 | 137.7 Ų | 137.7 | 69% | 0.687 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -71.5 | -36.9 | 176.8 | -148.8 | 166.6 | -154.5 | 0 | 0 | 111.5 | Q460 K466 R467 | Q460-E464 PolarHBondContact O-N 3.35Å; E464-K466 PolarHBondContact O-N 2.91Å; E464-R467 PolarHBondContact O-N 2.84Å; E464-R467 VanDerWaalsContact O-N 3.08Å |
| 465 | A | 56.9 | Low | 56 | Low | 76 Ų | 76 | 131.2 Ų | 131.2 | 63% | 0.628 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | -17.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | R461 | R461-A465 PolarHBondContact O-N 3.45Š|
| 466 | K | 53.4 | Low | 56.8 | Low | 170 Ų | 170 | 124.9 Ų | 124.9 | 74% | 0.739 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | -16.6 | 174 | -83 | 177.4 | -179.2 | 164.2 | 0 | 113.7 | Q463 E464 | Q463-K466 PolarHBondContact O-N 2.99Å; E464-K466 PolarHBondContact O-N 2.91Å |
| 467 | R | 50.5 | Low | 57.7 | Low | 226 Ų | 226 | 120 Ų | 120 | 85% | 0.853 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.4 | -7.7 | -176.5 | -89.9 | -169.3 | 169.3 | -158.2 | -1.5 | 113.9 | E464 P469 | E464-R467 PolarHBondContact O-N 2.84Å; E464-R467 VanDerWaalsContact O-N 3.08Å; R467-P469 WeakPolarHBondContact O-CD 3.47Å |
| 468 | E | 43.8 | Very low | 58.8 | Low | 158 Ų | 158 | 117.4 Ų | 117.4 | 74% | 0.738 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -68.7 | 124.4 | 179.8 | -153.1 | -175.8 | -160.9 | 0 | 0 | 110.3 | ||
| 469 | P | 51.2 | Low | 59.7 | Low | 110 Ų | 110 | 112.3 Ų | 112.3 | 71% | 0.714 | 57% | 0.573 | S | S | * | * | trans | -57 | 141.4 | 170.6 | -16.4 | 29 | 0 | 0 | 0 | 108.7 | R467 G471 | R467-P469 WeakPolarHBondContact O-CD 3.47Å; P469-G471 VanDerWaalsContact C-N 3.32Å; P469-G471 PolarHBondContact O-N 3.37Å | ||
| 470 | V | 62.1 | Low | 60.7 | Low | 96 Ų | 96 | 113.4 Ų | 113.4 | 58% | 0.582 | 57% | 0.572 | S | S | * | * | trans | -51.7 | 94.5 | 177.1 | 175.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 471 | G | 51.8 | Low | 62 | Low | 36 Ų | 36 | 113.9 Ų | 113.9 | 37% | 0.371 | 57% | 0.567 | S | S | . | * | trans | -75.5 | 139.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | P469 D473 | P469-G471 VanDerWaalsContact C-N 3.32Å; P469-G471 PolarHBondContact O-N 3.37Å; G471-D473 PolarHBondContact O-N 3.48Å | ||
| 472 | N | 57.1 | Low | 62.7 | Low | 151 Ų | 151 | 106.4 Ų | 106.4 | 81% | 0.807 | 54% | 0.542 | S | S | * | . | trans | -70.9 | 51.2 | 169.6 | -71.4 | -3.9 | 0 | 0 | 0 | 110.9 | ||||
| 473 | D | 75.8 | Confident | 63.2 | Low | 87 Ų | 87 | 104 Ų | 104 | 47% | 0.465 | 54% | 0.541 | S | S | . | . | trans | -83.4 | 142.6 | 173.8 | 174.6 | 43.4 | 0 | 0 | 0 | 110.1 | G471 A475 T476 I477 | G471-D473 PolarHBondContact O-N 3.48Å; D473-A475 PolarHBondContact O-N 2.8Å; D473-A475 VanDerWaalsContact OD2-CB 3.28Å; D473-A475 WeakPolarHBondContact OD2-CB 3.43Å; D473-A475 PolarHBondContact OD2-N 3.3Å; D473-T476 WeakPolarHBondContact O-CA 3.37Å; D473-T476 WeakPolarHBondContact O-CB 3.13Å; D473-T476 PolarHBondContact O-N 3.26Å; D473-I477 WeakPolarHBondContact O-CG1 3.41Å; D473-I477 PolarHBondContact O-N 2.73Å | ||
| 474 | V | 67 | Low | 64.1 | Low | 83 Ų | 83 | 102.8 Ų | 102.8 | 50% | 0.503 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -58.5 | -39.3 | -177.7 | 177.3 | 0 | 0 | 0 | 0 | 110.6 | T476 I477 L478 | V474-T476 VanDerWaalsContact C-N 3.33Å; V474-T476 PolarHBondContact O-N 2.97Å; V474-I477 PolarHBondContact O-N 2.89Å; V474-L478 HydrophobicContact CG1-CD1 3.79Å; V474-L478 HydrophobicContact CG1-CG 4.3Å; V474-L478 WeakPolarHBondContact O-CB 3.26Å; V474-L478 VanDerWaalsContact O-CG 3.29Å; V474-L478 WeakPolarHBondContact O-CG 3.32Å; V474-L478 PolarHBondContact O-N 3.4Å |
| 475 | A | 70.4 | Confident | 64.1 | Low | 29 Ų | 29 | 101.7 Ų | 101.7 | 24% | 0.24 | 54% | 0.537 | C | S | . | . | H | α-helix | trans | -67.1 | -36.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | M165 D473 S479 | M165-A475 HydrophobicContact SD-CB 4.07Å; D473-A475 PolarHBondContact O-N 2.8Å; D473-A475 VanDerWaalsContact OD2-CB 3.28Å; D473-A475 WeakPolarHBondContact OD2-CB 3.43Å; D473-A475 PolarHBondContact OD2-N 3.3Å; A475-S479 WeakPolarHBondContact O-CB 3.23Å; A475-S479 PolarHBondContact O-N 2.84Å; A475-S479 PolarHBondContact O-OG 2.96Å |
| 476 | T | 74.6 | Confident | 64 | Low | 53 Ų | 53 | 104.7 Ų | 104.7 | 33% | 0.325 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -69 | -40.2 | 175.8 | -60.8 | 0 | 0 | 0 | 0 | 112 | D473 V474 R480 | D473-T476 WeakPolarHBondContact O-CA 3.37Å; D473-T476 WeakPolarHBondContact O-CB 3.13Å; D473-T476 PolarHBondContact O-N 3.26Å; V474-T476 VanDerWaalsContact C-N 3.33Å; V474-T476 PolarHBondContact O-N 2.97Å; T476-R480 WeakPolarHBondContact O-CB 3.44Å; T476-R480 WeakPolarHBondContact O-CG 3.5Å; T476-R480 PolarHBondContact O-N 3.29Å |
| 477 | I | 73.8 | Confident | 63.9 | Low | 91 Ų | 91 | 101.6 Ų | 101.6 | 47% | 0.467 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67.1 | -45.9 | 178 | -66.1 | 165.2 | 0 | 0 | 0 | 110.8 | D473 V474 R480 R481 | D473-I477 WeakPolarHBondContact O-CG1 3.41Å; D473-I477 PolarHBondContact O-N 2.73Å; V474-I477 PolarHBondContact O-N 2.89Å; I477-R480 PolarHBondContact O-N 3.26Å; I477-R481 WeakPolarHBondContact O-CB 3.2Å; I477-R481 PolarHBondContact O-N 3.16Å |
| 478 | L | 73.4 | Confident | 63.6 | Low | 73 Ų | 73 | 98.4 Ų | 98.4 | 38% | 0.382 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.9 | -42.2 | 177.2 | -69.1 | 172.8 | 0 | 0 | 0 | 111.5 | W161 V474 R480 R481 I482 | W161-L478 HydrophobicContact CH2-CD1 4.46Å; V474-L478 HydrophobicContact CG1-CD1 3.79Å; V474-L478 HydrophobicContact CG1-CG 4.3Å; V474-L478 WeakPolarHBondContact O-CB 3.26Å; V474-L478 VanDerWaalsContact O-CG 3.29Å; V474-L478 WeakPolarHBondContact O-CG 3.32Å; V474-L478 PolarHBondContact O-N 3.4Å; L478-R480 VanDerWaalsContact C-N 3.29Å; L478-R480 PolarHBondContact O-N 3.44Å; L478-R481 PolarHBondContact O-N 2.81Å; L478-I482 WeakPolarHBondContact O-CB 3.46Å; L478-I482 VanDerWaalsContact O-CG1 3.3Å; L478-I482 WeakPolarHBondContact O-CG1 3.15Å; L478-I482 PolarHBondContact O-N 2.8Å |
| 479 | S | 70.8 | Confident | 63.5 | Low | 48 Ų | 48 | 95 Ų | 95 | 34% | 0.336 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -58.4 | -41.5 | 174.1 | -64.2 | 0 | 0 | 0 | 0 | 111.8 | A475 A483 | A475-S479 WeakPolarHBondContact O-CB 3.23Å; A475-S479 PolarHBondContact O-N 2.84Å; A475-S479 PolarHBondContact O-OG 2.96Å; S479-A483 VanDerWaalsContact O-CB 3.26Å; S479-A483 WeakPolarHBondContact O-CB 3.31Å; S479-A483 PolarHBondContact O-N 3.01Å; S479-A483 VanDerWaalsContact O-N 3.08Å |
| 480 | R | 73.9 | Confident | 63.2 | Low | 147 Ų | 147 | 96.2 Ų | 96.2 | 56% | 0.555 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.3 | -45.8 | 175.1 | -82.7 | -177 | -178.5 | -138.9 | -2.3 | 112.1 | T476 I477 L478 A483 V484 | T476-R480 WeakPolarHBondContact O-CB 3.44Å; T476-R480 WeakPolarHBondContact O-CG 3.5Å; T476-R480 PolarHBondContact O-N 3.29Å; I477-R480 PolarHBondContact O-N 3.26Å; L478-R480 VanDerWaalsContact C-N 3.29Å; L478-R480 PolarHBondContact O-N 3.44Å; R480-A483 PolarHBondContact O-N 3.27Å; R480-V484 WeakPolarHBondContact O-CG2 3.35Å; R480-V484 PolarHBondContact O-N 3.34Å |
| 481 | R | 75.5 | Confident | 62.4 | Low | 165 Ų | 165 | 98.9 Ų | 98.9 | 62% | 0.623 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.4 | -44.9 | -177.7 | -171.8 | 172.1 | -177.5 | 166.1 | 1.6 | 112 | I477 L478 V484 E485 | I477-R481 WeakPolarHBondContact O-CB 3.2Å; I477-R481 PolarHBondContact O-N 3.16Å; L478-R481 PolarHBondContact O-N 2.81Å; R481-V484 PolarHBondContact O-N 3.49Å; R481-E485 PolarHBondContact O-N 3.35Å; R481-E485 VanDerWaalsContact O-N 3.1Å |
| 482 | I | 71.2 | Confident | 62.3 | Low | 47 Ų | 47 | 105.3 Ų | 105.3 | 24% | 0.241 | 56% | 0.564 | C | S | . | * | H | α-helix | trans | -63.6 | -46.2 | 175.5 | -66.8 | 171.3 | 0 | 0 | 0 | 110.1 | T169 L478 V484 E485 Y486 | T169-I482 HydrophobicContact CG2-CD1 4.42Å; T169-I482 HydrophobicContact CG2-CG2 4.36Å; L478-I482 WeakPolarHBondContact O-CB 3.46Å; L478-I482 VanDerWaalsContact O-CG1 3.3Å; L478-I482 WeakPolarHBondContact O-CG1 3.15Å; L478-I482 PolarHBondContact O-N 2.8Å; I482-V484 PolarHBondContact O-N 2.94Å; I482-E485 PolarHBondContact O-N 2.94Å; I482-Y486 HydrophobicContact CG2-CD2 3.77Å; I482-Y486 HydrophobicContact CG2-CE2 3.75Å; I482-Y486 VanDerWaalsContact O-CD2 3.22Å; I482-Y486 WeakPolarHBondContact O-CD2 3.31Å; I482-Y486 PolarHBondContact O-N 3.31Å |
| 483 | A | 68.9 | Low | 62 | Low | 60 Ų | 60 | 103.7 Ų | 103.7 | 50% | 0.496 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -62.4 | -30 | 180 | 0 | 0 | 0 | 0 | 0 | 113.8 | S479 R480 | S479-A483 VanDerWaalsContact O-CB 3.26Å; S479-A483 WeakPolarHBondContact O-CB 3.31Å; S479-A483 PolarHBondContact O-N 3.01Å; S479-A483 VanDerWaalsContact O-N 3.08Å; R480-A483 PolarHBondContact O-N 3.27Å |
| 484 | V | 67.9 | Low | 60.7 | Low | 106 Ų | 106 | 108.1 Ų | 108.1 | 64% | 0.642 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -77.1 | -43.5 | 176.8 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | R480 R481 I482 Y486 S487 | R480-V484 WeakPolarHBondContact O-CG2 3.35Å; R480-V484 PolarHBondContact O-N 3.34Å; R481-V484 PolarHBondContact O-N 3.49Å; I482-V484 PolarHBondContact O-N 2.94Å; V484-Y486 VanDerWaalsContact C-N 3.28Å; V484-Y486 PolarHBondContact O-N 3.48Å; V484-S487 PolarHBondContact O-N 3.44Å; V484-S487 VanDerWaalsContact O-N 3.15Å |
| 485 | E | 56.7 | Low | 59.5 | Low | 124 Ų | 124 | 114 Ų | 114 | 58% | 0.579 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -62.7 | -29.8 | 178.9 | -87.3 | 173 | 180 | 0 | 0 | 113.5 | R481 I482 | R481-E485 PolarHBondContact O-N 3.35Å; R481-E485 VanDerWaalsContact O-N 3.1Å; I482-E485 PolarHBondContact O-N 2.94Å |
| 486 | Y | 54.3 | Low | 58.2 | Low | 139 Ų | 139 | 119.5 Ų | 119.5 | 55% | 0.545 | 63% | 0.627 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.4 | -5.6 | 176.4 | -73 | -74.6 | 0 | 0 | 0 | 114.5 | I482 V484 | I482-Y486 HydrophobicContact CG2-CD2 3.77Å; I482-Y486 HydrophobicContact CG2-CE2 3.75Å; I482-Y486 VanDerWaalsContact O-CD2 3.22Å; I482-Y486 WeakPolarHBondContact O-CD2 3.31Å; I482-Y486 PolarHBondContact O-N 3.31Å; V484-Y486 VanDerWaalsContact C-N 3.28Å; V484-Y486 PolarHBondContact O-N 3.48Å |
| 487 | S | 50.1 | Low | 56.6 | Low | 105 Ų | 105 | 126.5 Ų | 126.5 | 73% | 0.734 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -86.1 | -10.4 | 178.1 | -114 | 0 | 0 | 0 | 0 | 113.2 | V484 | V484-S487 PolarHBondContact O-N 3.44Å; V484-S487 VanDerWaalsContact O-N 3.15Å |
| 488 | D | 44.6 | Very low | 55.2 | Low | 158 Ų | 158 | 128.8 Ų | 128.8 | 85% | 0.845 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -107.4 | -0.1 | -174.9 | -146.5 | 28.4 | 0 | 0 | 0 | 113 | ||
| 489 | S | 42.7 | Very low | 53.8 | Low | 87 Ų | 87 | 131.3 Ų | 131.3 | 61% | 0.608 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -120.2 | 9.8 | -173.9 | 98.8 | 0 | 0 | 0 | 0 | 116.1 | ||
| 490 | D | 45.4 | Very low | 52.7 | Low | 136 Ų | 136 | 141.1 Ų | 141.1 | 73% | 0.727 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -122.5 | 16.9 | -171.5 | -100.3 | -18.2 | 0 | 0 | 0 | 113.9 | ||
| 491 | D | 43.5 | Very low | 51 | Low | 152 Ų | 152 | 139 Ų | 139 | 81% | 0.813 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -135 | 45 | -175.5 | -158.2 | 35.4 | 0 | 0 | 0 | 114.7 | ||
| 492 | D | 49.9 | Very low | 49.3 | Very low | 171 Ų | 171 | 142.5 Ų | 142.5 | 91% | 0.914 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -152 | 28.6 | 177.4 | -100.5 | -23.4 | 0 | 0 | 0 | 116.9 | ||
| 493 | S | 52.3 | Low | 48.2 | Very low | 116 Ų | 116 | 147.3 Ų | 147.3 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | trans | -162 | 82.9 | 166.9 | 61.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 494 | E | 48.6 | Very low | 47.1 | Very low | 181 Ų | 181 | 151.8 Ų | 151.8 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -170.9 | 131.7 | 144.8 | -110.2 | 176.6 | -167.3 | 0 | 0 | 107.8 | ||
| 495 | F | 41 | Very low | 45.9 | Very low | 206 Ų | 206 | 154.4 Ų | 154.4 | 90% | 0.904 | 80% | 0.8 | S | S | * | * | trans | 90.5 | 87.1 | -170.2 | -68.9 | -94.1 | 0 | 0 | 0 | 115.5 | ||||
| 496 | D | 43.2 | Very low | 45.3 | Very low | 145 Ų | 145 | 156.2 Ų | 156.2 | 78% | 0.775 | 81% | 0.813 | S | S | * | * | 178.6 | 109.4 | 95.7 | -158 | 9.1 | 0 | 0 | 0 | 110.2 | |||||
| 497 | E | 40.3 | Very low | 44.7 | Very low | 200 Ų | 200 | 157.3 Ų | 157.3 | 94% | 0.935 | 83% | 0.83 | S | S | * | * | trans | -152.1 | 65.3 | 158.1 | -135 | 171.4 | -155.6 | 0 | 0 | 108.8 | D499 | E497-D499 PolarHBondContact O-N 3.44Š| ||
| 498 | N | 44.4 | Very low | 44.4 | Very low | 139 Ų | 139 | 160.7 Ų | 160.7 | 74% | 0.743 | 84% | 0.836 | S | S | * | * | trans | -89.9 | 89.7 | 170.8 | -128.1 | 89.9 | 0 | 0 | 0 | 109.3 | ||||
| 499 | D | 43.9 | Very low | 44.4 | Very low | 126 Ų | 126 | 160.9 Ų | 160.9 | 67% | 0.674 | 84% | 0.836 | S | S | * | * | trans | 32.7 | 99.2 | 137.5 | -157.1 | 19.9 | 0 | 0 | 0 | 118 | E497 | E497-D499 PolarHBondContact O-N 3.44Š| ||
| 500 | W | 47.9 | Very low | 44.5 | Very low | 253 Ų | 253 | 166.6 Ų | 166.6 | 96% | 0.958 | 85% | 0.853 | S | S | * | * | trans | -121.9 | 99.2 | 153.9 | -79.6 | 86.5 | 0 | 0 | 0 | 109.1 | ||||
| 501 | S | 38.8 | Very low | 44.4 | Very low | 103 Ų | 103 | 169.2 Ų | 169.2 | 72% | 0.72 | 86% | 0.864 | S | S | * | * | trans | -154.9 | 92.5 | 157.1 | 19.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 502 | D | 39.3 | Very low | 44.5 | Very low | 238 Ų | 238 | 170.7 Ų | 170.7 | 100% | 1.273 | 87% | 0.868 | S | S | * | * | -170.5 | 0 | 116.2 | -165.5 | 24.5 | 0 | 0 | 0 | 109.5 |
Retrieved 502 of 502 residues in 532.8 ms
(Link to these results)