| 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 | 36.1 | Very low | 44.4 | Very low | 245 Ų | 245 | 138.4 Ų | 138.4 | 100% | 1.207 | 80% | 0.798 | S | S | * | * | 0 | 94.7 | 0 | -84.7 | 171.1 | 137 | 0 | 0 | 107.9 | |||||
| 2 | A | 39.9 | Very low | 45.7 | Very low | 98 Ų | 98 | 134.4 Ų | 134.4 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | trans | -82.1 | 118.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 3 | K | 42 | Very low | 46.6 | Very low | 204 Ų | 204 | 127.8 Ų | 127.8 | 89% | 0.887 | 73% | 0.732 | S | S | * | * | trans | -96.5 | 104.7 | 170.1 | -129 | 173.2 | -178.8 | 178.6 | 0 | 105.8 | P5 | K3-P5 WeakPolarHBondContact O-CD 3.47Š| ||
| 4 | N | 41 | Very low | 47.8 | Very low | 148 Ų | 148 | 125.4 Ų | 125.4 | 79% | 0.791 | 73% | 0.727 | S | S | * | * | trans | -61.9 | 122.2 | 169.8 | -70.4 | -26.7 | 0 | 0 | 0 | 108.3 | S6 | N4-S6 PolarHBondContact O-N 2.97Š| ||
| 5 | P | 46 | Very low | 49.1 | Very low | 123 Ų | 123 | 127.3 Ų | 127.3 | 80% | 0.799 | 73% | 0.726 | S | S | * | * | trans | -75.9 | 110.1 | 163.5 | 30.1 | -24.2 | 0 | 0 | 0 | 106.4 | K3 E7 | K3-P5 WeakPolarHBondContact O-CD 3.47Å; P5-E7 PolarHBondContact O-N 2.69Å | ||
| 6 | S | 40.3 | Very low | 50.3 | Low | 111 Ų | 111 | 121.8 Ų | 121.8 | 78% | 0.776 | 69% | 0.693 | S | S | * | * | trans | -46.6 | 129.9 | 169.7 | -179.6 | 0 | 0 | 0 | 0 | 110.1 | N4 G8 | N4-S6 PolarHBondContact O-N 2.97Å; S6-G8 PolarHBondContact O-N 3.09Å; S6-G8 VanDerWaalsContact O-N 3.15Å | ||
| 7 | E | 44 | Very low | 51.7 | Low | 178 Ų | 178 | 119.1 Ų | 119.1 | 83% | 0.832 | 68% | 0.68 | S | S | * | * | trans | -35.5 | 112.1 | 170.6 | -70.9 | 170 | 126.6 | 0 | 0 | 112.6 | P5 A9 | P5-E7 PolarHBondContact O-N 2.69Å; E7-A9 PolarHBondContact O-N 3.17Å | ||
| 8 | G | 39.9 | Very low | 53.1 | Low | 84 Ų | 84 | 119.8 Ų | 119.8 | 87% | 0.866 | 68% | 0.682 | S | S | * | * | trans | -84.4 | 62.8 | 155.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | S6 K10 | S6-G8 PolarHBondContact O-N 3.09Å; S6-G8 VanDerWaalsContact O-N 3.15Å; G8-K10 PolarHBondContact O-N 3.35Å; G8-K10 VanDerWaalsContact O-N 3.14Å | ||
| 9 | A | 53.6 | Low | 54.3 | Low | 76 Ų | 76 | 119.3 Ų | 119.3 | 63% | 0.628 | 68% | 0.676 | S | S | * | * | trans | -71.6 | 102.1 | 166 | 0 | 0 | 0 | 0 | 0 | 107.7 | E7 | E7-A9 PolarHBondContact O-N 3.17Š| ||
| 10 | K | 51.7 | Low | 55.4 | Low | 187 Ų | 187 | 116.2 Ų | 116.2 | 81% | 0.813 | 66% | 0.658 | S | S | * | * | S | Bend | trans | 169.9 | 129.2 | 144.7 | -92.5 | 153 | -173.1 | 179 | 0 | 112 | G8 | G8-K10 PolarHBondContact O-N 3.35Å; G8-K10 VanDerWaalsContact O-N 3.14Å |
| 11 | D | 54.3 | Low | 56.3 | Low | 68 Ų | 68 | 113.2 Ų | 113.2 | 36% | 0.364 | 64% | 0.64 | S | S | . | * | trans | 85.6 | 43.9 | 170.5 | -51.1 | -32.7 | 0 | 0 | 0 | 116.9 | L13 K32 R35 | D11-L13 PolarHBondContact O-N 3.24Å; D11-K32 IonicContact OD1-NZ 3.73Å; D11-R35 IonicContact OD2-NH1 3.96Å; D11-R35 PolarHBondContact OD2-NH1 2.78Å | ||
| 12 | D | 58.9 | Low | 58.3 | Low | 91 Ų | 91 | 108.3 Ų | 108.3 | 49% | 0.487 | 62% | 0.618 | S | S | . | * | trans | -67 | 105.2 | 159.2 | -138.4 | -4.9 | 0 | 0 | 0 | 107.1 | S14 Q15 | D12-S14 VanDerWaalsContact CG-OG 3.27Å; D12-S14 PolarHBondContact O-N 3.25Å; D12-S14 PolarHBondContact OD1-OG 3.29Å; D12-S14 PolarHBondContact OD2-OG 3.37Å; D12-Q15 HydrophobicContact CB-CB 4.23Å; D12-Q15 HydrophobicContact CB-CG 3.95Å; D12-Q15 PolarHBondContact O-N 3.15Å; D12-Q15 PolarHBondContact OD2-NE2 3.06Å | ||
| 13 | L | 58.2 | Low | 60.2 | Low | 49 Ų | 49 | 112.6 Ų | 112.6 | 26% | 0.257 | 61% | 0.613 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -55.1 | -21 | -180 | -96.4 | 156.3 | 0 | 0 | 0 | 112.5 | D11 L16 L21 K32 V36 | D11-L13 PolarHBondContact O-N 3.24Å; L13-L16 HydrophobicContact CD2-CD1 4.49Å; L13-L21 HydrophobicContact CD2-CD1 4.15Å; L13-K32 HydrophobicContact CD1-CB 3.92Å; L13-K32 HydrophobicContact CG-CB 4.39Å; L13-V36 HydrophobicContact CD1-CB 4.24Å; L13-V36 HydrophobicContact CD1-CG2 3.63Å |
| 14 | S | 63.2 | Low | 62.1 | Low | 94 Ų | 94 | 104.5 Ų | 104.5 | 66% | 0.657 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | -19.1 | 174.6 | 59 | 0 | 0 | 0 | 0 | 114.6 | D12 | D12-S14 VanDerWaalsContact CG-OG 3.27Å; D12-S14 PolarHBondContact O-N 3.25Å; D12-S14 PolarHBondContact OD1-OG 3.29Å; D12-S14 PolarHBondContact OD2-OG 3.37Å |
| 15 | Q | 67.6 | Low | 64.4 | Low | 153 Ų | 153 | 99.6 Ų | 99.6 | 72% | 0.715 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.1 | -6.5 | 179.1 | -65.4 | -177.2 | 22.5 | 0 | 0 | 112.9 | D12 | D12-Q15 HydrophobicContact CB-CB 4.23Å; D12-Q15 HydrophobicContact CB-CG 3.95Å; D12-Q15 PolarHBondContact O-N 3.15Å; D12-Q15 PolarHBondContact OD2-NE2 3.06Å |
| 16 | L | 67.6 | Low | 66.4 | Low | 39 Ų | 39 | 101.6 Ų | 101.6 | 20% | 0.204 | 56% | 0.555 | C | S | . | * | S | Bend | trans | -79.1 | 127.9 | 173.5 | -87.7 | 137.1 | 0 | 0 | 0 | 109.7 | L13 D20 L21 | L13-L16 HydrophobicContact CD2-CD1 4.49Å; L16-D20 HydrophobicContact CD2-CB 3.62Å; L16-L21 HydrophobicContact CB-CD1 3.65Å |
| 17 | T | 74.5 | Confident | 68.8 | Low | 76 Ų | 76 | 102 Ų | 102 | 47% | 0.466 | 55% | 0.545 | S | S | . | . | trans | -71.5 | 153.9 | 173.4 | 63.7 | 0 | 0 | 0 | 0 | 110.6 | D19 D20 L21 | T17-D19 PolarHBondContact O-N 3.05Å; T17-D19 VanDerWaalsContact O-N 3.15Å; T17-D20 WeakPolarHBondContact O-CB 3.17Å; T17-D20 PolarHBondContact O-N 3.24Å; T17-D20 PolarHBondContact OG1-OD2 3.32Å; T17-L21 PolarHBondContact O-N 3.39Å; T17-L21 VanDerWaalsContact O-N 3.09Å | ||
| 18 | D | 76.1 | Confident | 70.8 | Confident | 133 Ų | 133 | 97.5 Ų | 97.5 | 71% | 0.711 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -54.8 | -34.8 | 179.9 | -75.2 | -19.8 | 0 | 0 | 0 | 112.3 | D20 L21 L22 | D18-D20 VanDerWaalsContact C-N 3.34Å; D18-D20 PolarHBondContact O-N 3.09Å; D18-L21 WeakPolarHBondContact O-CB 3.44Å; D18-L21 PolarHBondContact O-N 3.43Å; D18-L22 WeakPolarHBondContact O-CG 3.33Å; D18-L22 PolarHBondContact O-N 3.04Å |
| 19 | D | 75.9 | Confident | 73 | Confident | 109 Ų | 109 | 96.6 Ų | 96.6 | 58% | 0.583 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.1 | -30.4 | 175.6 | -74.8 | -46.4 | 0 | 0 | 0 | 113.8 | T17 R23 | T17-D19 PolarHBondContact O-N 3.05Å; T17-D19 VanDerWaalsContact O-N 3.15Å; D19-R23 WeakPolarHBondContact O-CG 3.49Å; D19-R23 PolarHBondContact O-N 2.75Å; D19-R23 PolarHBondContact O-NE 3.45Å |
| 20 | D | 76.9 | Confident | 74.8 | Confident | 57 Ų | 57 | 95.8 Ų | 95.8 | 31% | 0.305 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -81.3 | -30.3 | 176.6 | -62.3 | -35.7 | 0 | 0 | 0 | 111.7 | L16 T17 D18 R23 C24 | L16-D20 HydrophobicContact CD2-CB 3.62Å; T17-D20 WeakPolarHBondContact O-CB 3.17Å; T17-D20 PolarHBondContact O-N 3.24Å; T17-D20 PolarHBondContact OG1-OD2 3.32Å; D18-D20 VanDerWaalsContact C-N 3.34Å; D18-D20 PolarHBondContact O-N 3.09Å; D20-R23 IonicContact OD1-CZ 3.49Å; D20-R23 IonicContact OD1-NE 3.23Å; D20-R23 IonicContact OD1-NH2 2.69Å; D20-R23 PolarHBondContact OD1-NH2 3.15Å; D20-C24 PolarHBondContact O-SG 2.9Å |
| 21 | L | 75.3 | Confident | 76.7 | Confident | 54 Ų | 54 | 94 Ų | 94 | 28% | 0.283 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.8 | -42.7 | 171.4 | -118.9 | 85.9 | 0 | 0 | 0 | 111.4 | L13 L16 T17 D18 R23 C24 L29 | L13-L21 HydrophobicContact CD2-CD1 4.15Å; L16-L21 HydrophobicContact CB-CD1 3.65Å; T17-L21 PolarHBondContact O-N 3.39Å; T17-L21 VanDerWaalsContact O-N 3.09Å; D18-L21 WeakPolarHBondContact O-CB 3.44Å; D18-L21 PolarHBondContact O-N 3.43Å; L21-R23 VanDerWaalsContact C-N 3.27Å; L21-R23 PolarHBondContact O-N 2.92Å; L21-C24 PolarHBondContact O-N 3.32Å; L21-L29 HydrophobicContact CD2-CD2 4.42Å |
| 22 | L | 77.1 | Confident | 78.3 | Confident | 143 Ų | 143 | 92.2 Ų | 92.2 | 75% | 0.749 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -66.7 | -26.4 | 179.2 | -74.6 | 165.4 | 0 | 0 | 0 | 113.3 | D18 | D18-L22 WeakPolarHBondContact O-CG 3.33Å; D18-L22 PolarHBondContact O-N 3.04Å |
| 23 | R | 80.9 | Confident | 79.7 | Confident | 188 Ų | 188 | 92.5 Ų | 92.5 | 71% | 0.709 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -14.9 | 176.2 | -79.3 | -176.1 | -82.3 | -165 | -1 | 114.1 | D19 D20 L21 | D19-R23 WeakPolarHBondContact O-CG 3.49Å; D19-R23 PolarHBondContact O-N 2.75Å; D19-R23 PolarHBondContact O-NE 3.45Å; D20-R23 IonicContact OD1-CZ 3.49Å; D20-R23 IonicContact OD1-NE 3.23Å; D20-R23 IonicContact OD1-NH2 2.69Å; D20-R23 PolarHBondContact OD1-NH2 3.15Å; L21-R23 VanDerWaalsContact C-N 3.27Å; L21-R23 PolarHBondContact O-N 2.92Å |
| 24 | C | 81.6 | Confident | 81.4 | Confident | 34 Ų | 34 | 99 Ų | 99 | 23% | 0.23 | 49% | 0.485 | C | S | . | . | S | Bend | trans | -80.1 | 146.9 | 179.6 | -71.1 | 0 | 0 | 0 | 0 | 111.7 | D20 L21 L29 | D20-C24 PolarHBondContact O-SG 2.9Å; L21-C24 PolarHBondContact O-N 3.32Å; C24-L29 HydrophobicContact CB-CD1 3.22Å |
| 25 | S | 88.3 | Confident | 82.7 | Confident | 45 Ų | 45 | 99.6 Ų | 99.6 | 32% | 0.315 | 47% | 0.473 | S | S | . | . | trans | -69.2 | 155.4 | 172.2 | 62.6 | 0 | 0 | 0 | 0 | 111.6 | E27 E28 L29 | S25-E27 PolarHBondContact O-N 3.4Å; S25-E28 PolarHBondContact N-OE2 3.07Å; S25-E28 PolarHBondContact O-N 3.05Å; S25-E28 VanDerWaalsContact O-N 3.09Å; S25-E28 WeakPolarHBondContact OG-CB 3.42Å; S25-E28 WeakPolarHBondContact OG-CG 3.46Å; S25-E28 PolarHBondContact OG-N 3.48Å; S25-E28 PolarHBondContact OG-OE2 3.23Å; S25-L29 PolarHBondContact O-N 3.13Å | ||
| 26 | K | 88.1 | Confident | 83.8 | Confident | 164 Ų | 164 | 94.6 Ų | 94.6 | 71% | 0.713 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -55.3 | -39.6 | 176.4 | -176.8 | -177.3 | 176.9 | -177.1 | 0 | 111.4 | L29 V30 | K26-L29 PolarHBondContact O-N 3.07Å; K26-V30 VanDerWaalsContact O-CG2 3.3Å; K26-V30 WeakPolarHBondContact O-CG2 3.3Å; K26-V30 PolarHBondContact O-N 3.47Å |
| 27 | E | 90.3 | Very high | 84.9 | Confident | 120 Ų | 120 | 96.8 Ų | 96.8 | 56% | 0.561 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -67.1 | -36.1 | 179.9 | -66.5 | 66.8 | -144.8 | 0 | 0 | 112.1 | S25 R31 | S25-E27 PolarHBondContact O-N 3.4Å; E27-R31 WeakPolarHBondContact O-CB 3.45Å; E27-R31 PolarHBondContact O-N 3.06Å; E27-R31 VanDerWaalsContact O-N 3.07Å |
| 28 | E | 86.8 | Confident | 85.9 | Confident | 84 Ų | 84 | 94.7 Ų | 94.7 | 39% | 0.393 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -71.2 | -41.7 | 175.9 | -74.6 | 163.9 | 155.8 | 0 | 0 | 112.2 | S25 V30 R31 K32 | S25-E28 PolarHBondContact N-OE2 3.07Å; S25-E28 PolarHBondContact O-N 3.05Å; S25-E28 VanDerWaalsContact O-N 3.09Å; S25-E28 WeakPolarHBondContact OG-CB 3.42Å; S25-E28 WeakPolarHBondContact OG-CG 3.46Å; S25-E28 PolarHBondContact OG-N 3.48Å; S25-E28 PolarHBondContact OG-OE2 3.23Å; E28-V30 VanDerWaalsContact C-N 3.34Å; E28-V30 PolarHBondContact O-N 3.24Å; E28-R31 PolarHBondContact O-N 3.02Å; E28-K32 WeakPolarHBondContact O-CG 3.41Å; E28-K32 PolarHBondContact O-N 3.31Å |
| 29 | L | 86.9 | Confident | 86.8 | Confident | 64 Ų | 64 | 93 Ų | 93 | 34% | 0.335 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -59 | -45.7 | 173.2 | -101.7 | 79.3 | 0 | 0 | 0 | 111.3 | L21 C24 S25 K26 R31 K32 L33 | L21-L29 HydrophobicContact CD2-CD2 4.42Å; C24-L29 HydrophobicContact CB-CD1 3.22Å; S25-L29 PolarHBondContact O-N 3.13Å; K26-L29 PolarHBondContact O-N 3.07Å; L29-R31 VanDerWaalsContact C-N 3.3Å; L29-R31 PolarHBondContact O-N 2.86Å; L29-K32 PolarHBondContact O-N 3.01Å; L29-L33 WeakPolarHBondContact O-CB 3.38Å; L29-L33 PolarHBondContact O-N 2.91Å |
| 30 | V | 89.9 | Confident | 87.7 | Confident | 59 Ų | 59 | 94.8 Ų | 94.8 | 36% | 0.358 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.3 | -39 | 178 | 170.9 | 0 | 0 | 0 | 0 | 111.3 | K26 E28 R34 | K26-V30 VanDerWaalsContact O-CG2 3.3Å; K26-V30 WeakPolarHBondContact O-CG2 3.3Å; K26-V30 PolarHBondContact O-N 3.47Å; E28-V30 VanDerWaalsContact C-N 3.34Å; E28-V30 PolarHBondContact O-N 3.24Å; V30-R34 WeakPolarHBondContact O-CG 3.46Å; V30-R34 PolarHBondContact O-N 3.14Å |
| 31 | R | 91.6 | Very high | 88.6 | Confident | 149 Ų | 149 | 96.9 Ų | 96.9 | 56% | 0.562 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -68.3 | -41.9 | 177.9 | -162.9 | -176.7 | -59.8 | 123.5 | 2.4 | 111.9 | E27 E28 L29 R35 | E27-R31 WeakPolarHBondContact O-CB 3.45Å; E27-R31 PolarHBondContact O-N 3.06Å; E27-R31 VanDerWaalsContact O-N 3.07Å; E28-R31 PolarHBondContact O-N 3.02Å; L29-R31 VanDerWaalsContact C-N 3.3Å; L29-R31 PolarHBondContact O-N 2.86Å; R31-R35 PolarHBondContact O-N 3.49Å; R31-R35 VanDerWaalsContact O-N 3.13Å |
| 32 | K | 87.9 | Confident | 89.6 | Confident | 31 Ų | 31 | 98.8 Ų | 98.8 | 14% | 0.135 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -65.1 | -44 | 175.6 | -74.1 | -178.1 | 176.7 | -177.6 | 0 | 111.5 | D11 L13 E28 L29 R35 V36 | D11-K32 IonicContact OD1-NZ 3.73Å; L13-K32 HydrophobicContact CD1-CB 3.92Å; L13-K32 HydrophobicContact CG-CB 4.39Å; E28-K32 WeakPolarHBondContact O-CG 3.41Å; E28-K32 PolarHBondContact O-N 3.31Å; L29-K32 PolarHBondContact O-N 3.01Å; K32-R35 WeakPolarHBondContact O-CB 3.48Å; K32-R35 PolarHBondContact O-N 3.44Å; K32-V36 PolarHBondContact O-N 2.87Å |
| 33 | L | 88.6 | Confident | 90.6 | Very high | 98 Ų | 98 | 97.2 Ų | 97.2 | 51% | 0.513 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -58.9 | -50.7 | 176.2 | -178.2 | 67.2 | 0 | 0 | 0 | 111.6 | L29 R35 V36 D37 | L29-L33 WeakPolarHBondContact O-CB 3.38Å; L29-L33 PolarHBondContact O-N 2.91Å; L33-R35 PolarHBondContact O-N 2.87Å; L33-V36 PolarHBondContact O-N 3.32Å; L33-D37 WeakPolarHBondContact O-CB 3.35Å; L33-D37 PolarHBondContact O-N 3.08Å |
| 34 | R | 93.6 | Very high | 91.3 | Very high | 185 Ų | 185 | 93.9 Ų | 93.9 | 70% | 0.698 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -60.8 | -33.1 | 177.9 | -72.5 | -175.1 | -159.4 | 179.9 | 5.8 | 112.9 | V30 G38 | V30-R34 WeakPolarHBondContact O-CG 3.46Å; V30-R34 PolarHBondContact O-N 3.14Å; R34-G38 PolarHBondContact O-N 3.13Å; R34-G38 VanDerWaalsContact O-N 3.08Å |
| 35 | R | 91.7 | Very high | 92.1 | Very high | 106 Ų | 106 | 96.4 Ų | 96.4 | 40% | 0.4 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -65.6 | -52.3 | 176 | -170.8 | -169.2 | -59.7 | 160 | 1.5 | 110.5 | D11 R31 K32 L33 D37 G38 E39 | D11-R35 IonicContact OD2-NH1 3.96Å; D11-R35 PolarHBondContact OD2-NH1 2.78Å; R31-R35 PolarHBondContact O-N 3.49Å; R31-R35 VanDerWaalsContact O-N 3.13Å; K32-R35 WeakPolarHBondContact O-CB 3.48Å; K32-R35 PolarHBondContact O-N 3.44Å; L33-R35 PolarHBondContact O-N 2.87Å; R35-D37 VanDerWaalsContact C-N 3.35Å; R35-D37 PolarHBondContact O-N 3.26Å; R35-G38 PolarHBondContact O-N 3.21Å; R35-G38 VanDerWaalsContact O-N 3.13Å; R35-E39 WeakPolarHBondContact CG-OE1 3.45Å; R35-E39 WeakPolarHBondContact O-CG 3.49Å; R35-E39 PolarHBondContact O-N 3.35Å |
| 36 | V | 89.8 | Confident | 92.5 | Very high | 48 Ų | 48 | 100 Ų | 100 | 29% | 0.291 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.5 | -38.7 | 179 | 170.3 | 0 | 0 | 0 | 0 | 112 | L13 K32 L33 G38 E39 K40 | L13-V36 HydrophobicContact CD1-CB 4.24Å; L13-V36 HydrophobicContact CD1-CG2 3.63Å; K32-V36 PolarHBondContact O-N 2.87Å; L33-V36 PolarHBondContact O-N 3.32Å; V36-G38 VanDerWaalsContact C-N 3.31Å; V36-G38 PolarHBondContact O-N 3.23Å; V36-E39 PolarHBondContact O-N 3.36Å; V36-K40 VanDerWaalsContact O-CB 3.31Å; V36-K40 WeakPolarHBondContact O-CB 3.47Å; V36-K40 PolarHBondContact O-N 2.92Å |
| 37 | D | 92.1 | Very high | 93 | Very high | 86 Ų | 86 | 98.2 Ų | 98.2 | 46% | 0.46 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.2 | -39.5 | 173.9 | -79.3 | -24.5 | 0 | 0 | 0 | 112 | L33 R35 M41 | L33-D37 WeakPolarHBondContact O-CB 3.35Å; L33-D37 PolarHBondContact O-N 3.08Å; R35-D37 VanDerWaalsContact C-N 3.35Å; R35-D37 PolarHBondContact O-N 3.26Å; D37-M41 WeakPolarHBondContact O-CB 3.42Å; D37-M41 PolarHBondContact O-N 3.22Å |
| 38 | G | 95.1 | Very high | 93.3 | Very high | 31 Ų | 31 | 93.9 Ų | 93.9 | 32% | 0.32 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.1 | -44.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | R34 R35 V36 M41 N42 | R34-G38 PolarHBondContact O-N 3.13Å; R34-G38 VanDerWaalsContact O-N 3.08Å; R35-G38 PolarHBondContact O-N 3.21Å; R35-G38 VanDerWaalsContact O-N 3.13Å; V36-G38 VanDerWaalsContact C-N 3.31Å; V36-G38 PolarHBondContact O-N 3.23Å; G38-M41 PolarHBondContact O-N 3.32Å; G38-N42 VanDerWaalsContact O-CG 3.25Å; G38-N42 PolarHBondContact O-N 3.44Å; G38-N42 PolarHBondContact O-ND2 2.84Å |
| 39 | E | 94.1 | Very high | 93.9 | Very high | 99 Ų | 99 | 94 Ų | 94 | 46% | 0.463 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.6 | -43 | 176.4 | -72.4 | 167.7 | -171.6 | 0 | 0 | 111.9 | R35 V36 M41 N42 L43 | R35-E39 WeakPolarHBondContact CG-OE1 3.45Å; R35-E39 WeakPolarHBondContact O-CG 3.49Å; R35-E39 PolarHBondContact O-N 3.35Å; V36-E39 PolarHBondContact O-N 3.36Å; E39-M41 PolarHBondContact O-N 3.48Å; E39-N42 PolarHBondContact O-N 3.49Å; E39-L43 WeakPolarHBondContact O-CB 3.43Å; E39-L43 WeakPolarHBondContact O-CG 3.49Å; E39-L43 PolarHBondContact O-N 3.36Å |
| 40 | K | 94.5 | Very high | 94.4 | Very high | 146 Ų | 146 | 96.4 Ų | 96.4 | 64% | 0.635 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -60.6 | -43.5 | 173.9 | -179.3 | -177.5 | 174.3 | -178.2 | 0 | 111.8 | V36 L43 M44 | V36-K40 VanDerWaalsContact O-CB 3.31Å; V36-K40 WeakPolarHBondContact O-CB 3.47Å; V36-K40 PolarHBondContact O-N 2.92Å; K40-L43 PolarHBondContact O-N 2.88Å; K40-M44 WeakPolarHBondContact O-CB 3.31Å; K40-M44 PolarHBondContact O-N 3.22Å |
| 41 | M | 96.4 | Very high | 94.8 | Very high | 101 Ų | 101 | 98 Ų | 98 | 50% | 0.498 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61 | -45.3 | 174.6 | 179.4 | 65.4 | 81 | 0 | 0 | 111.1 | D37 G38 E39 M44 I45 | D37-M41 WeakPolarHBondContact O-CB 3.42Å; D37-M41 PolarHBondContact O-N 3.22Å; G38-M41 PolarHBondContact O-N 3.32Å; E39-M41 PolarHBondContact O-N 3.48Å; M41-M44 HydrophobicContact CE-CE 4.31Å; M41-M44 PolarHBondContact O-N 2.99Å; M41-M44 HydrophobicContact SD-CE 3.41Å; M41-M44 WeakPolarHBondContact SD-CE 3.38Å; M41-I45 HydrophobicContact CG-CD1 4.2Å; M41-I45 WeakPolarHBondContact O-CG1 3.41Å; M41-I45 PolarHBondContact O-N 3.4Å; M41-I45 HydrophobicContact SD-CD1 4.5Å |
| 42 | N | 96.6 | Very high | 95.2 | Very high | 94 Ų | 94 | 98 Ų | 98 | 50% | 0.503 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.8 | -47.3 | 177.7 | -70.6 | -22.7 | 0 | 0 | 0 | 111.9 | G38 E39 M44 I45 E46 | G38-N42 VanDerWaalsContact O-CG 3.25Å; G38-N42 PolarHBondContact O-N 3.44Å; G38-N42 PolarHBondContact O-ND2 2.84Å; E39-N42 PolarHBondContact O-N 3.49Å; N42-M44 VanDerWaalsContact C-N 3.28Å; N42-M44 PolarHBondContact O-N 2.85Å; N42-I45 WeakPolarHBondContact O-CB 3.48Å; N42-I45 PolarHBondContact O-N 3.1Å; N42-I45 VanDerWaalsContact O-N 3.1Å; N42-E46 WeakPolarHBondContact O-CG 3.44Å; N42-E46 PolarHBondContact O-N 3.28Å |
| 43 | L | 96.9 | Very high | 95.7 | Very high | 110 Ų | 110 | 99.5 Ų | 99.5 | 58% | 0.576 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -59.1 | -39.2 | 176 | -76.7 | 171.2 | 0 | 0 | 0 | 112.1 | E39 K40 I45 E46 H47 | E39-L43 WeakPolarHBondContact O-CB 3.43Å; E39-L43 WeakPolarHBondContact O-CG 3.49Å; E39-L43 PolarHBondContact O-N 3.36Å; K40-L43 PolarHBondContact O-N 2.88Å; L43-I45 VanDerWaalsContact C-N 3.35Å; L43-E46 PolarHBondContact O-N 2.84Å; L43-H47 VanDerWaalsContact O-CB 3.26Å; L43-H47 WeakPolarHBondContact O-CB 3.26Å; L43-H47 PolarHBondContact O-N 2.97Å |
| 44 | M | 97 | Very high | 96.1 | Very high | 118 Ų | 118 | 99.1 Ų | 99.1 | 58% | 0.581 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.3 | -39.8 | 175.9 | -174.8 | 177.3 | 60.3 | 0 | 0 | 111.9 | K40 M41 N42 G48 | K40-M44 WeakPolarHBondContact O-CB 3.31Å; K40-M44 PolarHBondContact O-N 3.22Å; M41-M44 HydrophobicContact CE-CE 4.31Å; M41-M44 PolarHBondContact O-N 2.99Å; M41-M44 HydrophobicContact SD-CE 3.41Å; M41-M44 WeakPolarHBondContact SD-CE 3.38Å; N42-M44 VanDerWaalsContact C-N 3.28Å; N42-M44 PolarHBondContact O-N 2.85Å; M44-G48 PolarHBondContact O-N 2.88Å |
| 45 | I | 97.4 | Very high | 96.4 | Very high | 87 Ų | 87 | 94 Ų | 94 | 45% | 0.446 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.9 | -46.3 | 175.2 | -66.7 | 166 | 0 | 0 | 0 | 110.5 | M41 N42 L43 G48 N49 | M41-I45 HydrophobicContact CG-CD1 4.2Å; M41-I45 WeakPolarHBondContact O-CG1 3.41Å; M41-I45 PolarHBondContact O-N 3.4Å; M41-I45 HydrophobicContact SD-CD1 4.5Å; N42-I45 WeakPolarHBondContact O-CB 3.48Å; N42-I45 PolarHBondContact O-N 3.1Å; N42-I45 VanDerWaalsContact O-N 3.1Å; L43-I45 VanDerWaalsContact C-N 3.35Å; I45-G48 PolarHBondContact O-N 3.05Å; I45-N49 VanDerWaalsContact O-CG 3.28Å; I45-N49 PolarHBondContact O-N 3.35Å; I45-N49 PolarHBondContact O-ND2 3.19Å |
| 46 | E | 97.4 | Very high | 96.7 | Very high | 120 Ų | 120 | 97.4 Ų | 97.4 | 56% | 0.561 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61.2 | -45.3 | 177.9 | -73.3 | -176.1 | 174.8 | 0 | 0 | 111.9 | N42 L43 G48 N49 M50 | N42-E46 WeakPolarHBondContact O-CG 3.44Å; N42-E46 PolarHBondContact O-N 3.28Å; L43-E46 PolarHBondContact O-N 2.84Å; E46-G48 VanDerWaalsContact C-N 3.33Å; E46-G48 PolarHBondContact O-N 2.83Å; E46-N49 PolarHBondContact O-N 3.5Å; E46-M50 WeakPolarHBondContact O-CB 3.32Å; E46-M50 PolarHBondContact O-N 3.45Å |
| 47 | H | 97.9 | Very high | 97.1 | Very high | 127 Ų | 127 | 102.2 Ų | 102.2 | 59% | 0.588 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -59.8 | -43.7 | 174 | -180 | -96.4 | 0 | 0 | 0 | 111.5 | L43 N49 M50 M51 | L43-H47 VanDerWaalsContact O-CB 3.26Å; L43-H47 WeakPolarHBondContact O-CB 3.26Å; L43-H47 PolarHBondContact O-N 2.97Å; H47-N49 VanDerWaalsContact C-N 3.33Å; H47-N49 PolarHBondContact O-N 2.98Å; H47-M50 PolarHBondContact O-N 3.09Å; H47-M51 WeakPolarHBondContact O-CB 3.49Å; H47-M51 PolarHBondContact O-N 2.86Å |
| 48 | G | 98.3 | Very high | 97.4 | Very high | 28 Ų | 28 | 102.4 Ų | 102.4 | 29% | 0.289 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.1 | -39.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | M44 I45 E46 K52 | M44-G48 PolarHBondContact O-N 2.88Å; I45-G48 PolarHBondContact O-N 3.05Å; E46-G48 VanDerWaalsContact C-N 3.33Å; E46-G48 PolarHBondContact O-N 2.83Å; G48-K52 WeakPolarHBondContact O-CG 3.43Å; G48-K52 PolarHBondContact O-N 2.99Å; G48-K52 VanDerWaalsContact O-N 3.09Å |
| 49 | N | 98.3 | Very high | 97.6 | Very high | 87 Ų | 87 | 106.3 Ų | 106.3 | 47% | 0.465 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.5 | -40.6 | 175.8 | -70.1 | -25 | 0 | 0 | 0 | 111.9 | I45 E46 H47 M51 K52 D53 | I45-N49 VanDerWaalsContact O-CG 3.28Å; I45-N49 PolarHBondContact O-N 3.35Å; I45-N49 PolarHBondContact O-ND2 3.19Å; E46-N49 PolarHBondContact O-N 3.5Å; H47-N49 VanDerWaalsContact C-N 3.33Å; H47-N49 PolarHBondContact O-N 2.98Å; N49-M51 VanDerWaalsContact C-N 3.35Å; N49-M51 PolarHBondContact O-N 3.26Å; N49-K52 WeakPolarHBondContact O-CB 3.48Å; N49-K52 PolarHBondContact O-N 3.5Å; N49-D53 PolarHBondContact O-N 3.44Å |
| 50 | M | 98.4 | Very high | 97.8 | Very high | 115 Ų | 115 | 106.8 Ų | 106.8 | 57% | 0.567 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.3 | -44.5 | 175.3 | -169.2 | 179.7 | -48.9 | 0 | 0 | 111.2 | E46 H47 K52 D53 I54 | E46-M50 WeakPolarHBondContact O-CB 3.32Å; E46-M50 PolarHBondContact O-N 3.45Å; H47-M50 PolarHBondContact O-N 3.09Å; M50-K52 VanDerWaalsContact C-N 3.32Å; M50-K52 PolarHBondContact O-N 2.74Å; M50-D53 PolarHBondContact O-N 3.41Å; M50-D53 VanDerWaalsContact O-N 3.15Å; M50-I54 HydrophobicContact CG-CD1 4.17Å; M50-I54 WeakPolarHBondContact O-CG1 3.36Å; M50-I54 PolarHBondContact O-N 2.92Å |
| 51 | M | 98.3 | Very high | 98 | Very high | 93 Ų | 93 | 105.7 Ų | 105.7 | 46% | 0.458 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.5 | -39.5 | 176.9 | -166.2 | 65 | -173.5 | 0 | 0 | 112 | H47 N49 I54 N55 | H47-M51 WeakPolarHBondContact O-CB 3.49Å; H47-M51 PolarHBondContact O-N 2.86Å; N49-M51 VanDerWaalsContact C-N 3.35Å; N49-M51 PolarHBondContact O-N 3.26Å; M51-I54 PolarHBondContact O-N 3.47Å; M51-N55 WeakPolarHBondContact O-CB 3.38Å; M51-N55 PolarHBondContact O-N 3.43Å; M51-N55 PolarHBondContact O-ND2 2.9Å |
| 52 | K | 98.4 | Very high | 98.1 | Very high | 148 Ų | 148 | 104.4 Ų | 104.4 | 64% | 0.643 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.3 | -41.3 | 173.6 | -72.8 | 171.3 | -174.7 | 173.8 | 0 | 111.9 | G48 N49 M50 N55 R56 | G48-K52 WeakPolarHBondContact O-CG 3.43Å; G48-K52 PolarHBondContact O-N 2.99Å; G48-K52 VanDerWaalsContact O-N 3.09Å; N49-K52 WeakPolarHBondContact O-CB 3.48Å; N49-K52 PolarHBondContact O-N 3.5Å; M50-K52 VanDerWaalsContact C-N 3.32Å; M50-K52 PolarHBondContact O-N 2.74Å; K52-N55 PolarHBondContact O-N 3.49Å; K52-R56 WeakPolarHBondContact O-CB 3.36Å; K52-R56 PolarHBondContact O-N 3.15Å |
| 53 | D | 98.3 | Very high | 98.2 | Very high | 62 Ų | 62 | 105.4 Ų | 105.4 | 33% | 0.332 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.6 | -42.5 | 178.5 | -166.4 | 47.1 | 0 | 0 | 0 | 112 | N49 M50 N55 R56 R57 | N49-D53 PolarHBondContact O-N 3.44Å; M50-D53 PolarHBondContact O-N 3.41Å; M50-D53 VanDerWaalsContact O-N 3.15Å; D53-N55 VanDerWaalsContact C-N 3.33Å; D53-N55 PolarHBondContact O-N 2.92Å; D53-R56 PolarHBondContact O-N 3.29Å; D53-R57 WeakPolarHBondContact O-CG 3.4Å; D53-R57 PolarHBondContact O-N 2.98Å; D53-R57 IonicContact OD1-NE 3.41Å; D53-R57 IonicContact OD2-CZ 3.83Å; D53-R57 IonicContact OD2-NE 3.81Å; D53-R57 PolarHBondContact OD2-NE 3.19Å; D53-R57 IonicContact OD2-NH2 3.06Å; D53-R57 PolarHBondContact OD2-NH2 3.44Å |
| 54 | I | 98.4 | Very high | 98.3 | Very high | 90 Ų | 90 | 105 Ų | 105 | 46% | 0.462 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -56.9 | -49.1 | 173.5 | -69.3 | 168.3 | 0 | 0 | 0 | 110.2 | M50 M51 R56 R57 L58 | M50-I54 HydrophobicContact CG-CD1 4.17Å; M50-I54 WeakPolarHBondContact O-CG1 3.36Å; M50-I54 PolarHBondContact O-N 2.92Å; M51-I54 PolarHBondContact O-N 3.47Å; I54-R56 VanDerWaalsContact C-N 3.33Å; I54-R56 PolarHBondContact O-N 2.9Å; I54-R57 PolarHBondContact O-N 3.47Å; I54-L58 WeakPolarHBondContact O-CB 3.45Å; I54-L58 PolarHBondContact O-N 3.42Å |
| 55 | N | 98.6 | Very high | 98.4 | Very high | 78 Ų | 78 | 103.4 Ų | 103.4 | 42% | 0.417 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.9 | -40.8 | 177.9 | -76.6 | -23.4 | 0 | 0 | 0 | 112 | M51 K52 D53 L58 Q59 | M51-N55 WeakPolarHBondContact O-CB 3.38Å; M51-N55 PolarHBondContact O-N 3.43Å; M51-N55 PolarHBondContact O-ND2 2.9Å; K52-N55 PolarHBondContact O-N 3.49Å; D53-N55 VanDerWaalsContact C-N 3.33Å; D53-N55 PolarHBondContact O-N 2.92Å; N55-L58 PolarHBondContact O-N 2.98Å; N55-Q59 VanDerWaalsContact O-CG 3.32Å; N55-Q59 WeakPolarHBondContact O-CG 3.32Å; N55-Q59 PolarHBondContact O-N 2.82Å |
| 56 | R | 98.7 | Very high | 98.4 | Very high | 177 Ų | 177 | 105.9 Ų | 105.9 | 67% | 0.668 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62 | -47 | 176.6 | -176.4 | 178.6 | 179.7 | -168.6 | -0.1 | 111.5 | K52 D53 I54 Q59 L60 | K52-R56 WeakPolarHBondContact O-CB 3.36Å; K52-R56 PolarHBondContact O-N 3.15Å; D53-R56 PolarHBondContact O-N 3.29Å; I54-R56 VanDerWaalsContact C-N 3.33Å; I54-R56 PolarHBondContact O-N 2.9Å; R56-Q59 PolarHBondContact O-N 3.21Å; R56-L60 WeakPolarHBondContact O-CG 3.34Å; R56-L60 PolarHBondContact O-N 3.43Å; R56-L60 VanDerWaalsContact O-N 3.1Å |
| 57 | R | 98.6 | Very high | 98.5 | Very high | 150 Ų | 150 | 102.2 Ų | 102.2 | 57% | 0.566 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63.7 | -41.8 | 177.8 | -69 | 178.7 | -167.6 | -159 | 5.6 | 111.8 | D53 I54 Q59 L60 H61 | D53-R57 WeakPolarHBondContact O-CG 3.4Å; D53-R57 PolarHBondContact O-N 2.98Å; D53-R57 IonicContact OD1-NE 3.41Å; D53-R57 IonicContact OD2-CZ 3.83Å; D53-R57 IonicContact OD2-NE 3.81Å; D53-R57 PolarHBondContact OD2-NE 3.19Å; D53-R57 IonicContact OD2-NH2 3.06Å; D53-R57 PolarHBondContact OD2-NH2 3.44Å; I54-R57 PolarHBondContact O-N 3.47Å; R57-Q59 VanDerWaalsContact C-N 3.32Å; R57-Q59 PolarHBondContact O-N 2.89Å; R57-L60 PolarHBondContact O-N 3.31Å; R57-H61 PolarHBondContact O-CD2 3.31Å; R57-H61 PolarHBondContact O-N 3.1Å |
| 58 | L | 98.7 | Very high | 98.6 | Very high | 89 Ų | 89 | 100.9 Ų | 100.9 | 47% | 0.466 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58 | -45.5 | 175.2 | 179 | 62.6 | 0 | 0 | 0 | 111.3 | I54 N55 L60 H61 L62 | I54-L58 WeakPolarHBondContact O-CB 3.45Å; I54-L58 PolarHBondContact O-N 3.42Å; N55-L58 PolarHBondContact O-N 2.98Å; L58-L60 VanDerWaalsContact C-N 3.34Å; L58-L60 PolarHBondContact O-N 3.4Å; L58-H61 PolarHBondContact O-N 3.03Å; L58-L62 HydrophobicContact CD1-CD1 4.48Å; L58-L62 HydrophobicContact CD1-CG 4.42Å; L58-L62 HydrophobicContact CG-CD1 4.21Å; L58-L62 WeakPolarHBondContact O-CG 3.38Å; L58-L62 PolarHBondContact O-N 3.36Å |
| 59 | Q | 98.6 | Very high | 98.6 | Very high | 114 Ų | 114 | 106.4 Ų | 106.4 | 53% | 0.533 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.8 | -39 | 177.4 | -70.6 | -62.3 | -23.4 | 0 | 0 | 112.7 | N55 R56 R57 L62 H63 | N55-Q59 VanDerWaalsContact O-CG 3.32Å; N55-Q59 WeakPolarHBondContact O-CG 3.32Å; N55-Q59 PolarHBondContact O-N 2.82Å; R56-Q59 PolarHBondContact O-N 3.21Å; R57-Q59 VanDerWaalsContact C-N 3.32Å; R57-Q59 PolarHBondContact O-N 2.89Å; Q59-L62 PolarHBondContact O-N 3.43Å; Q59-H63 PolarHBondContact O-N 3.08Å |
| 60 | L | 98.6 | Very high | 98.6 | Very high | 109 Ų | 109 | 108.6 Ų | 108.6 | 57% | 0.571 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.7 | -46.1 | 174.6 | -68.7 | 172.9 | 0 | 0 | 0 | 111.5 | R56 R57 L58 L62 H63 E64 | R56-L60 WeakPolarHBondContact O-CG 3.34Å; R56-L60 PolarHBondContact O-N 3.43Å; R56-L60 VanDerWaalsContact O-N 3.1Å; R57-L60 PolarHBondContact O-N 3.31Å; L58-L60 VanDerWaalsContact C-N 3.34Å; L58-L60 PolarHBondContact O-N 3.4Å; L60-L62 VanDerWaalsContact C-N 3.34Å; L60-L62 PolarHBondContact O-N 3.25Å; L60-H63 PolarHBondContact O-N 3.28Å; L60-E64 PolarHBondContact O-N 3.44Å |
| 61 | H | 98.6 | Very high | 98.6 | Very high | 123 Ų | 123 | 106.8 Ų | 106.8 | 57% | 0.569 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.5 | -38.8 | 176.4 | -69.8 | -36.6 | 0 | 0 | 0 | 112.6 | R57 L58 H63 E64 I65 | R57-H61 PolarHBondContact O-CD2 3.31Å; R57-H61 PolarHBondContact O-N 3.1Å; L58-H61 PolarHBondContact O-N 3.03Å; H61-H63 VanDerWaalsContact C-N 3.3Å; H61-H63 PolarHBondContact O-N 3.28Å; H61-E64 PolarHBondContact O-N 2.97Å; H61-I65 WeakPolarHBondContact O-CB 3.5Å; H61-I65 WeakPolarHBondContact O-CD1 3.46Å; H61-I65 WeakPolarHBondContact O-CG1 3.5Å; H61-I65 PolarHBondContact O-N 2.94Å |
| 62 | L | 98.8 | Very high | 98.6 | Very high | 74 Ų | 74 | 106.5 Ų | 106.5 | 39% | 0.387 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.2 | -33.9 | 174.9 | -72.3 | 174 | 0 | 0 | 0 | 112.7 | L58 Q59 L60 R66 | L58-L62 HydrophobicContact CD1-CD1 4.48Å; L58-L62 HydrophobicContact CD1-CG 4.42Å; L58-L62 HydrophobicContact CG-CD1 4.21Å; L58-L62 WeakPolarHBondContact O-CG 3.38Å; L58-L62 PolarHBondContact O-N 3.36Å; Q59-L62 PolarHBondContact O-N 3.43Å; L60-L62 VanDerWaalsContact C-N 3.34Å; L60-L62 PolarHBondContact O-N 3.25Å; L62-R66 WeakPolarHBondContact O-CG 3.46Å; L62-R66 PolarHBondContact O-N 3.31Å; L62-R66 PolarHBondContact O-NE 2.85Å |
| 63 | H | 98.6 | Very high | 98.7 | Very high | 115 Ų | 115 | 104 Ų | 104 | 53% | 0.532 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.5 | -45.7 | 173.1 | -173.5 | 65.3 | 0 | 0 | 0 | 111.3 | Q59 L60 H61 I65 R66 S67 | Q59-H63 PolarHBondContact O-N 3.08Å; L60-H63 PolarHBondContact O-N 3.28Å; H61-H63 VanDerWaalsContact C-N 3.3Å; H61-H63 PolarHBondContact O-N 3.28Å; H63-I65 PolarHBondContact O-N 3.2Å; H63-R66 WeakPolarHBondContact O-CB 3.21Å; H63-R66 PolarHBondContact O-N 3.45Å; H63-R66 VanDerWaalsContact O-N 3.12Å; H63-S67 PolarHBondContact O-N 3.13Å |
| 64 | E | 98.6 | Very high | 98.7 | Very high | 100 Ų | 100 | 106.5 Ų | 106.5 | 47% | 0.467 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.3 | -44.4 | 177.4 | -174.3 | 60 | -158.9 | 0 | 0 | 111.9 | L60 H61 R66 S67 L68 | L60-E64 PolarHBondContact O-N 3.44Å; H61-E64 PolarHBondContact O-N 2.97Å; E64-R66 PolarHBondContact O-N 3.38Å; E64-S67 PolarHBondContact O-N 2.93Å; E64-S67 VanDerWaalsContact O-N 3.16Å; E64-L68 HydrophobicContact CG-CD1 4Å; E64-L68 HydrophobicContact CG-CG 4.33Å; E64-L68 WeakPolarHBondContact O-CB 3.47Å; E64-L68 WeakPolarHBondContact O-CG 3.32Å; E64-L68 PolarHBondContact O-N 3.01Å |
| 65 | I | 98.8 | Very high | 98.7 | Very high | 85 Ų | 85 | 107 Ų | 107 | 44% | 0.436 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.3 | -39.4 | 176.3 | -70.7 | 163.3 | 0 | 0 | 0 | 111.1 | H61 H63 K69 | H61-I65 WeakPolarHBondContact O-CB 3.5Å; H61-I65 WeakPolarHBondContact O-CD1 3.46Å; H61-I65 WeakPolarHBondContact O-CG1 3.5Å; H61-I65 PolarHBondContact O-N 2.94Å; H63-I65 PolarHBondContact O-N 3.2Å; I65-K69 HydrophobicContact CG2-CD 4.44Å; I65-K69 VanDerWaalsContact O-CG 3.28Å; I65-K69 WeakPolarHBondContact O-CG 3.35Å; I65-K69 PolarHBondContact O-N 3.08Å; I65-K69 VanDerWaalsContact O-N 3.1Å |
| 66 | R | 98.8 | Very high | 98.7 | Very high | 139 Ų | 139 | 108.3 Ų | 108.3 | 53% | 0.525 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.5 | -45.8 | 176.1 | -76 | -177.6 | -73.1 | 172.4 | -2.2 | 111.6 | L62 H63 E64 L68 K69 E70 | L62-R66 WeakPolarHBondContact O-CG 3.46Å; L62-R66 PolarHBondContact O-N 3.31Å; L62-R66 PolarHBondContact O-NE 2.85Å; H63-R66 WeakPolarHBondContact O-CB 3.21Å; H63-R66 PolarHBondContact O-N 3.45Å; H63-R66 VanDerWaalsContact O-N 3.12Å; E64-R66 PolarHBondContact O-N 3.38Å; R66-L68 PolarHBondContact O-N 2.91Å; R66-K69 WeakPolarHBondContact O-CB 3.38Å; R66-K69 PolarHBondContact O-N 2.95Å; R66-E70 PolarHBondContact O-N 3.22Å; R66-E70 VanDerWaalsContact O-N 3.08Å |
| 67 | S | 98.7 | Very high | 98.7 | Very high | 44 Ų | 44 | 103.6 Ų | 103.6 | 31% | 0.308 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.3 | -43.9 | 177.9 | -173 | 0 | 0 | 0 | 0 | 112.2 | H63 E64 K69 E70 V71 | H63-S67 PolarHBondContact O-N 3.13Å; E64-S67 PolarHBondContact O-N 2.93Å; E64-S67 VanDerWaalsContact O-N 3.16Å; S67-K69 VanDerWaalsContact C-N 3.3Å; S67-K69 PolarHBondContact O-N 3.33Å; S67-E70 WeakPolarHBondContact O-CB 3.46Å; S67-E70 PolarHBondContact O-N 2.89Å; S67-E70 VanDerWaalsContact O-N 3.16Å; S67-V71 WeakPolarHBondContact O-CG2 3.45Å; S67-V71 PolarHBondContact O-N 3.28Å |
| 68 | L | 98.8 | Very high | 98.7 | Very high | 99 Ų | 99 | 99.4 Ų | 99.4 | 52% | 0.518 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.1 | -35.7 | 176 | -71.4 | 173.9 | 0 | 0 | 0 | 112.4 | E64 R66 V71 N72 | E64-L68 HydrophobicContact CG-CD1 4Å; E64-L68 HydrophobicContact CG-CG 4.33Å; E64-L68 WeakPolarHBondContact O-CB 3.47Å; E64-L68 WeakPolarHBondContact O-CG 3.32Å; E64-L68 PolarHBondContact O-N 3.01Å; R66-L68 PolarHBondContact O-N 2.91Å; L68-V71 PolarHBondContact O-N 3.4Å; L68-N72 VanDerWaalsContact O-CB 3.31Å; L68-N72 WeakPolarHBondContact O-CB 3.48Å; L68-N72 PolarHBondContact O-N 3.11Å |
| 69 | K | 98.7 | Very high | 98.7 | Very high | 143 Ų | 143 | 98.9 Ų | 98.9 | 62% | 0.622 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -63.6 | -41.4 | 173.5 | -78.5 | 177.2 | 177.5 | -170.5 | 0 | 112.1 | I65 R66 S67 N72 Q73 | I65-K69 HydrophobicContact CG2-CD 4.44Å; I65-K69 VanDerWaalsContact O-CG 3.28Å; I65-K69 WeakPolarHBondContact O-CG 3.35Å; I65-K69 PolarHBondContact O-N 3.08Å; I65-K69 VanDerWaalsContact O-N 3.1Å; R66-K69 WeakPolarHBondContact O-CB 3.38Å; R66-K69 PolarHBondContact O-N 2.95Å; S67-K69 VanDerWaalsContact C-N 3.3Å; S67-K69 PolarHBondContact O-N 3.33Å; K69-N72 PolarHBondContact O-N 3.16Å; K69-Q73 WeakPolarHBondContact O-CB 3.47Å; K69-Q73 PolarHBondContact O-N 2.83Å |
| 70 | E | 98.8 | Very high | 98.7 | Very high | 133 Ų | 133 | 98.8 Ų | 98.8 | 62% | 0.621 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.9 | -44.6 | 176.8 | -68.4 | 167.3 | -165.4 | 0 | 0 | 111.6 | R66 S67 N72 Q73 K74 | R66-E70 PolarHBondContact O-N 3.22Å; R66-E70 VanDerWaalsContact O-N 3.08Å; S67-E70 WeakPolarHBondContact O-CB 3.46Å; S67-E70 PolarHBondContact O-N 2.89Å; S67-E70 VanDerWaalsContact O-N 3.16Å; E70-N72 VanDerWaalsContact C-N 3.34Å; E70-N72 PolarHBondContact O-N 3.38Å; E70-Q73 PolarHBondContact O-N 3.28Å; E70-K74 PolarHBondContact O-N 3.16Å |
| 71 | V | 98.8 | Very high | 98.7 | Very high | 78 Ų | 78 | 99.3 Ų | 99.3 | 47% | 0.473 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.4 | -42.9 | 176.2 | 174.9 | 0 | 0 | 0 | 0 | 111 | S67 L68 K74 L75 | S67-V71 WeakPolarHBondContact O-CG2 3.45Å; S67-V71 PolarHBondContact O-N 3.28Å; L68-V71 PolarHBondContact O-N 3.4Å; V71-K74 PolarHBondContact O-N 3.03Å; V71-L75 HydrophobicContact CG1-CD1 4.23Å; V71-L75 WeakPolarHBondContact O-CG 3.28Å; V71-L75 PolarHBondContact O-N 3.44Å |
| 72 | N | 98.8 | Very high | 98.7 | Very high | 87 Ų | 87 | 98.3 Ų | 98.3 | 47% | 0.465 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.7 | -42.9 | 178.8 | -166.1 | -21 | 0 | 0 | 0 | 111.6 | L68 K69 E70 K74 L75 Q76 | L68-N72 VanDerWaalsContact O-CB 3.31Å; L68-N72 WeakPolarHBondContact O-CB 3.48Å; L68-N72 PolarHBondContact O-N 3.11Å; K69-N72 PolarHBondContact O-N 3.16Å; E70-N72 VanDerWaalsContact C-N 3.34Å; E70-N72 PolarHBondContact O-N 3.38Å; N72-K74 VanDerWaalsContact C-N 3.32Å; N72-K74 PolarHBondContact O-N 3.16Å; N72-L75 PolarHBondContact O-N 3.31Å; N72-Q76 WeakPolarHBondContact O-CG 3.34Å; N72-Q76 PolarHBondContact O-N 2.96Å; N72-Q76 PolarHBondContact OD1-NE2 3.4Å |
| 73 | Q | 98.8 | Very high | 98.7 | Very high | 96 Ų | 96 | 102.3 Ų | 102.3 | 45% | 0.449 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -57.8 | -47.5 | 174.6 | -174.9 | 59.7 | 53.2 | 0 | 0 | 110.9 | K69 E70 L75 Q76 D77 | K69-Q73 WeakPolarHBondContact O-CB 3.47Å; K69-Q73 PolarHBondContact O-N 2.83Å; E70-Q73 PolarHBondContact O-N 3.28Å; Q73-L75 VanDerWaalsContact C-N 3.32Å; Q73-L75 PolarHBondContact O-N 3.44Å; Q73-Q76 WeakPolarHBondContact O-CB 3.5Å; Q73-Q76 PolarHBondContact O-N 3.46Å; Q73-D77 PolarHBondContact NE2-OD1 3.12Å; Q73-D77 PolarHBondContact O-N 3.47Å |
| 74 | K | 98.8 | Very high | 98.7 | Very high | 114 Ų | 114 | 102.1 Ų | 102.1 | 50% | 0.496 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.7 | -43 | 176.6 | 178.4 | 167.2 | -179 | 148.2 | 0 | 112.6 | E70 V71 N72 Q76 D77 D78 | E70-K74 PolarHBondContact O-N 3.16Å; V71-K74 PolarHBondContact O-N 3.03Å; N72-K74 VanDerWaalsContact C-N 3.32Å; N72-K74 PolarHBondContact O-N 3.16Å; K74-Q76 VanDerWaalsContact C-N 3.26Å; K74-Q76 PolarHBondContact O-N 2.89Å; K74-D77 PolarHBondContact O-N 2.94Å; K74-D78 WeakPolarHBondContact O-CB 3.46Å; K74-D78 VanDerWaalsContact O-CG 3.25Å; K74-D78 PolarHBondContact O-N 2.94Å |
| 75 | L | 98.8 | Very high | 98.8 | Very high | 101 Ų | 101 | 101.5 Ų | 101.5 | 53% | 0.529 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.8 | -32.2 | 176.7 | -73.4 | 173.1 | 0 | 0 | 0 | 112.3 | V71 N72 Q73 N79 | V71-L75 HydrophobicContact CG1-CD1 4.23Å; V71-L75 WeakPolarHBondContact O-CG 3.28Å; V71-L75 PolarHBondContact O-N 3.44Å; N72-L75 PolarHBondContact O-N 3.31Å; Q73-L75 VanDerWaalsContact C-N 3.32Å; Q73-L75 PolarHBondContact O-N 3.44Å; L75-N79 WeakPolarHBondContact O-CB 3.31Å; L75-N79 PolarHBondContact O-N 3.3Å |
| 76 | Q | 98.9 | Very high | 98.7 | Very high | 104 Ų | 104 | 101.1 Ų | 101.1 | 49% | 0.486 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.9 | -42.8 | 174 | -70.1 | 175.2 | 21.3 | 0 | 0 | 111.5 | N72 Q73 K74 N79 H80 | N72-Q76 WeakPolarHBondContact O-CG 3.34Å; N72-Q76 PolarHBondContact O-N 2.96Å; N72-Q76 PolarHBondContact OD1-NE2 3.4Å; Q73-Q76 WeakPolarHBondContact O-CB 3.5Å; Q73-Q76 PolarHBondContact O-N 3.46Å; K74-Q76 VanDerWaalsContact C-N 3.26Å; K74-Q76 PolarHBondContact O-N 2.89Å; Q76-N79 WeakPolarHBondContact O-CB 3.49Å; Q76-N79 PolarHBondContact O-N 2.86Å; Q76-H80 PolarHBondContact O-N 3.34Å |
| 77 | D | 98.8 | Very high | 98.7 | Very high | 78 Ų | 78 | 98.3 Ų | 98.3 | 42% | 0.417 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61 | -50.2 | 175.5 | -57 | -20.4 | 0 | 0 | 0 | 110 | Q73 K74 N79 H80 E81 | Q73-D77 PolarHBondContact NE2-OD1 3.12Å; Q73-D77 PolarHBondContact O-N 3.47Å; K74-D77 PolarHBondContact O-N 2.94Å; D77-N79 VanDerWaalsContact C-N 3.26Å; D77-N79 PolarHBondContact O-N 3.1Å; D77-H80 WeakPolarHBondContact O-CA 3.33Å; D77-H80 WeakPolarHBondContact O-CB 3.3Å; D77-H80 PolarHBondContact O-N 3.45Å; D77-E81 PolarHBondContact O-N 3.23Å |
| 78 | D | 98.7 | Very high | 98.7 | Very high | 63 Ų | 63 | 101.3 Ų | 101.3 | 34% | 0.337 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -57.9 | -38.3 | 175.1 | -67.3 | -13.2 | 0 | 0 | 0 | 111.2 | K74 H80 L82 | K74-D78 WeakPolarHBondContact O-CB 3.46Å; K74-D78 VanDerWaalsContact O-CG 3.25Å; K74-D78 PolarHBondContact O-N 2.94Å; D78-H80 VanDerWaalsContact C-N 3.34Å; D78-L82 WeakPolarHBondContact O-CB 3.36Å; D78-L82 VanDerWaalsContact O-CG 3.24Å; D78-L82 WeakPolarHBondContact O-CG 3.36Å; D78-L82 PolarHBondContact O-N 3.09Å |
| 79 | N | 98.8 | Very high | 98.7 | Very high | 78 Ų | 78 | 101.3 Ų | 101.3 | 42% | 0.417 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.4 | -35.6 | 176.6 | -138.2 | -94.5 | 0 | 0 | 0 | 112.4 | L75 Q76 D77 R83 | L75-N79 WeakPolarHBondContact O-CB 3.31Å; L75-N79 PolarHBondContact O-N 3.3Å; Q76-N79 WeakPolarHBondContact O-CB 3.49Å; Q76-N79 PolarHBondContact O-N 2.86Å; D77-N79 VanDerWaalsContact C-N 3.26Å; D77-N79 PolarHBondContact O-N 3.1Å; N79-R83 VanDerWaalsContact O-CG 3.3Å; N79-R83 WeakPolarHBondContact O-CG 3.41Å; N79-R83 PolarHBondContact O-N 3.33Å; N79-R83 PolarHBondContact OD1-NE 3.03Å; N79-R83 PolarHBondContact OD1-NH2 3.43Å |
| 80 | H | 98.8 | Very high | 98.7 | Very high | 111 Ų | 111 | 98.1 Ų | 98.1 | 51% | 0.514 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.9 | -49.1 | 176.5 | -173.1 | 67.5 | 0 | 0 | 0 | 110.5 | Q76 D77 D78 L82 R83 E84 | Q76-H80 PolarHBondContact O-N 3.34Å; D77-H80 WeakPolarHBondContact O-CA 3.33Å; D77-H80 WeakPolarHBondContact O-CB 3.3Å; D77-H80 PolarHBondContact O-N 3.45Å; D78-H80 VanDerWaalsContact C-N 3.34Å; H80-L82 VanDerWaalsContact C-N 3.29Å; H80-L82 PolarHBondContact O-N 3.49Å; H80-R83 WeakPolarHBondContact O-CA 3.34Å; H80-R83 WeakPolarHBondContact O-CB 3.39Å; H80-R83 PolarHBondContact O-N 3.23Å; H80-E84 IonicContact CD2-OE2 3.26Å; H80-E84 IonicContact NE2-OE1 2.65Å; H80-E84 PolarHBondContact O-N 3.35Å |
| 81 | E | 98.8 | Very high | 98.7 | Very high | 121 Ų | 121 | 96.4 Ų | 96.4 | 57% | 0.565 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -57.7 | -41 | 176.4 | -69.9 | -176.7 | -170.1 | 0 | 0 | 111.9 | D77 R83 E84 L85 | D77-E81 PolarHBondContact O-N 3.23Å; E81-R83 VanDerWaalsContact C-N 3.28Å; E81-R83 PolarHBondContact O-N 3.36Å; E81-E84 PolarHBondContact O-N 2.89Å; E81-L85 WeakPolarHBondContact O-CB 3.47Å; E81-L85 PolarHBondContact O-N 3.01Å |
| 82 | L | 98.8 | Very high | 98.7 | Very high | 102 Ų | 102 | 95.8 Ų | 95.8 | 53% | 0.534 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.1 | -35.2 | 175.3 | -75.8 | 173 | 0 | 0 | 0 | 112.6 | D78 H80 C86 | D78-L82 WeakPolarHBondContact O-CB 3.36Å; D78-L82 VanDerWaalsContact O-CG 3.24Å; D78-L82 WeakPolarHBondContact O-CG 3.36Å; D78-L82 PolarHBondContact O-N 3.09Å; H80-L82 VanDerWaalsContact C-N 3.29Å; H80-L82 PolarHBondContact O-N 3.49Å; L82-C86 PolarHBondContact O-N 3.27Å; L82-C86 PolarHBondContact O-SG 3.08Å |
| 83 | R | 98.6 | Very high | 98.7 | Very high | 157 Ų | 157 | 97.7 Ų | 97.7 | 59% | 0.592 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -68.8 | -42.5 | 175.6 | -69.7 | 165.9 | -170.8 | -81.9 | -4.8 | 111.2 | N79 H80 E81 L85 C86 C87 | N79-R83 VanDerWaalsContact O-CG 3.3Å; N79-R83 WeakPolarHBondContact O-CG 3.41Å; N79-R83 PolarHBondContact O-N 3.33Å; N79-R83 PolarHBondContact OD1-NE 3.03Å; N79-R83 PolarHBondContact OD1-NH2 3.43Å; H80-R83 WeakPolarHBondContact O-CA 3.34Å; H80-R83 WeakPolarHBondContact O-CB 3.39Å; H80-R83 PolarHBondContact O-N 3.23Å; E81-R83 VanDerWaalsContact C-N 3.28Å; E81-R83 PolarHBondContact O-N 3.36Å; R83-L85 VanDerWaalsContact C-N 3.33Å; R83-C86 WeakPolarHBondContact O-CB 3.34Å; R83-C86 PolarHBondContact O-N 3.12Å; R83-C87 PolarHBondContact O-N 2.96Å; R83-C87 VanDerWaalsContact O-N 3.1Å; R83-C87 PolarHBondContact O-SG 3.38Å; R83-C87 VanDerWaalsContact O-SG 3.4Å |
| 84 | E | 98.7 | Very high | 98.7 | Very high | 111 Ų | 111 | 98.1 Ų | 98.1 | 52% | 0.519 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.1 | -42.3 | 175.4 | -64.7 | -171.8 | 116.2 | 0 | 0 | 111.5 | H80 E81 C86 C87 F88 | H80-E84 IonicContact CD2-OE2 3.26Å; H80-E84 IonicContact NE2-OE1 2.65Å; H80-E84 PolarHBondContact O-N 3.35Å; E81-E84 PolarHBondContact O-N 2.89Å; E84-C86 PolarHBondContact O-N 3.42Å; E84-C87 WeakPolarHBondContact O-CB 3.37Å; E84-C87 PolarHBondContact O-N 3.18Å; E84-F88 PolarHBondContact O-N 2.95Å |
| 85 | L | 98.8 | Very high | 98.6 | Very high | 88 Ų | 88 | 98.4 Ų | 98.4 | 46% | 0.461 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.2 | -42.2 | 175.8 | -177.9 | 62.2 | 0 | 0 | 0 | 112 | E81 R83 C87 F88 L89 | E81-L85 WeakPolarHBondContact O-CB 3.47Å; E81-L85 PolarHBondContact O-N 3.01Å; R83-L85 VanDerWaalsContact C-N 3.33Å; L85-C87 VanDerWaalsContact C-N 3.33Å; L85-C87 PolarHBondContact O-N 2.96Å; L85-F88 HydrophobicContact CD1-CD1 4.39Å; L85-F88 PolarHBondContact O-N 2.91Å; L85-L89 HydrophobicContact CD1-CD1 4.34Å; L85-L89 HydrophobicContact CD1-CG 4.21Å; L85-L89 HydrophobicContact CG-CD1 4.08Å; L85-L89 HydrophobicContact CG-CG 4.37Å; L85-L89 WeakPolarHBondContact O-CG 3.29Å; L85-L89 PolarHBondContact O-N 3.49Å |
| 86 | C | 98.6 | Very high | 98.6 | Very high | 76 Ų | 76 | 95.5 Ų | 95.5 | 51% | 0.514 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -57.7 | -45.6 | 174.2 | -76.4 | 0 | 0 | 0 | 0 | 111.6 | L82 R83 E84 F88 L89 D90 | L82-C86 PolarHBondContact O-N 3.27Å; L82-C86 PolarHBondContact O-SG 3.08Å; R83-C86 WeakPolarHBondContact O-CB 3.34Å; R83-C86 PolarHBondContact O-N 3.12Å; E84-C86 PolarHBondContact O-N 3.42Å; C86-F88 PolarHBondContact O-N 3.48Å; C86-L89 PolarHBondContact O-N 3.17Å; C86-D90 PolarHBondContact O-N 3.46Å |
| 87 | C | 98.6 | Very high | 98.5 | Very high | 81 Ų | 81 | 96.4 Ų | 96.4 | 55% | 0.547 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.2 | -47.2 | 175.7 | -66.9 | 0 | 0 | 0 | 0 | 111.8 | R83 E84 L85 L89 D90 D91 | R83-C87 PolarHBondContact O-N 2.96Å; R83-C87 VanDerWaalsContact O-N 3.1Å; R83-C87 PolarHBondContact O-SG 3.38Å; R83-C87 VanDerWaalsContact O-SG 3.4Å; E84-C87 WeakPolarHBondContact O-CB 3.37Å; E84-C87 PolarHBondContact O-N 3.18Å; L85-C87 VanDerWaalsContact C-N 3.33Å; L85-C87 PolarHBondContact O-N 2.96Å; C87-L89 PolarHBondContact O-N 3.37Å; C87-D90 PolarHBondContact O-N 3.39Å; C87-D91 PolarHBondContact O-N 3.35Å |
| 88 | F | 98.5 | Very high | 98.5 | Very high | 107 Ų | 107 | 99.2 Ų | 99.2 | 47% | 0.469 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.3 | -45.7 | 178.1 | 173.6 | -95.3 | 0 | 0 | 0 | 112.5 | E84 L85 C86 D90 D91 D92 | E84-F88 PolarHBondContact O-N 2.95Å; L85-F88 HydrophobicContact CD1-CD1 4.39Å; L85-F88 PolarHBondContact O-N 2.91Å; C86-F88 PolarHBondContact O-N 3.48Å; F88-D90 VanDerWaalsContact C-N 3.31Å; F88-D90 PolarHBondContact O-N 2.89Å; F88-D91 PolarHBondContact O-N 3.42Å; F88-D92 WeakPolarHBondContact CZ-OD2 3.27Å; F88-D92 PolarHBondContact O-N 3.38Å |
| 89 | L | 98.6 | Very high | 98.5 | Very high | 98 Ų | 98 | 102 Ų | 102 | 51% | 0.513 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.3 | -34.3 | 179 | -70 | 175.1 | 0 | 0 | 0 | 112.1 | L85 C86 C87 D92 R93 | L85-L89 HydrophobicContact CD1-CD1 4.34Å; L85-L89 HydrophobicContact CD1-CG 4.21Å; L85-L89 HydrophobicContact CG-CD1 4.08Å; L85-L89 HydrophobicContact CG-CG 4.37Å; L85-L89 WeakPolarHBondContact O-CG 3.29Å; L85-L89 PolarHBondContact O-N 3.49Å; C86-L89 PolarHBondContact O-N 3.17Å; C87-L89 PolarHBondContact O-N 3.37Å; L89-D92 PolarHBondContact O-N 3Å; L89-R93 VanDerWaalsContact O-CB 3.25Å; L89-R93 WeakPolarHBondContact O-CB 3.33Å; L89-R93 PolarHBondContact O-N 3.23Å |
| 90 | D | 98.4 | Very high | 98.4 | Very high | 77 Ų | 77 | 101.2 Ų | 101.2 | 41% | 0.412 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.8 | -40.1 | 174.2 | -96 | -36.1 | 0 | 0 | 0 | 112.4 | C86 C87 F88 R93 Q94 | C86-D90 PolarHBondContact O-N 3.46Å; C87-D90 PolarHBondContact O-N 3.39Å; F88-D90 VanDerWaalsContact C-N 3.31Å; F88-D90 PolarHBondContact O-N 2.89Å; D90-R93 WeakPolarHBondContact O-CB 3.24Å; D90-R93 PolarHBondContact O-N 3.04Å; D90-R93 IonicContact OD1-CZ 2.86Å; D90-R93 IonicContact OD1-NE 3.65Å; D90-R93 PolarHBondContact OD1-NE 3.44Å; D90-R93 IonicContact OD1-NH2 3.63Å; D90-R93 PolarHBondContact OD1-NH2 3Å; D90-Q94 VanDerWaalsContact O-CG 3.25Å; D90-Q94 WeakPolarHBondContact O-CG 3.45Å; D90-Q94 PolarHBondContact O-N 3.33Å |
| 91 | D | 98.5 | Very high | 98.3 | Very high | 96 Ų | 96 | 102.8 Ų | 102.8 | 51% | 0.513 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.8 | -44.8 | 174 | -77.7 | -18.4 | 0 | 0 | 0 | 111.7 | C87 F88 Q94 K95 | C87-D91 PolarHBondContact O-N 3.35Å; F88-D91 PolarHBondContact O-N 3.42Å; D91-Q94 WeakPolarHBondContact O-CB 3.48Å; D91-Q94 PolarHBondContact O-N 3.48Å; D91-K95 WeakPolarHBondContact O-CG 3.48Å; D91-K95 PolarHBondContact O-N 2.92Å |
| 92 | D | 98.4 | Very high | 98.3 | Very high | 65 Ų | 65 | 101.7 Ų | 101.7 | 35% | 0.348 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.5 | -38 | 177.3 | -89.2 | 9.5 | 0 | 0 | 0 | 112.1 | F88 L89 Q94 K95 G96 | F88-D92 WeakPolarHBondContact CZ-OD2 3.27Å; F88-D92 PolarHBondContact O-N 3.38Å; L89-D92 PolarHBondContact O-N 3Å; D92-Q94 VanDerWaalsContact C-N 3.31Å; D92-Q94 PolarHBondContact O-N 3.37Å; D92-K95 PolarHBondContact O-N 2.95Å; D92-K95 IonicContact OD1-NZ 3.34Å; D92-K95 PolarHBondContact OD1-NZ 3.34Å; D92-G96 PolarHBondContact O-N 3.03Å |
| 93 | R | 98.6 | Very high | 98.2 | Very high | 127 Ų | 127 | 105.5 Ų | 105.5 | 48% | 0.479 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.4 | -42.7 | 170.9 | -176.5 | 179.2 | 67.2 | 96 | 2.1 | 111.4 | L89 D90 G96 K97 | L89-R93 VanDerWaalsContact O-CB 3.25Å; L89-R93 WeakPolarHBondContact O-CB 3.33Å; L89-R93 PolarHBondContact O-N 3.23Å; D90-R93 WeakPolarHBondContact O-CB 3.24Å; D90-R93 PolarHBondContact O-N 3.04Å; D90-R93 IonicContact OD1-CZ 2.86Å; D90-R93 IonicContact OD1-NE 3.65Å; D90-R93 PolarHBondContact OD1-NE 3.44Å; D90-R93 IonicContact OD1-NH2 3.63Å; D90-R93 PolarHBondContact OD1-NH2 3Å; R93-G96 PolarHBondContact O-N 2.85Å; R93-K97 PolarHBondContact O-N 3.01Å |
| 94 | Q | 98.5 | Very high | 98.1 | Very high | 106 Ų | 106 | 103 Ų | 103 | 50% | 0.495 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64 | -42.8 | 175.5 | -71 | -122.9 | 8.7 | 0 | 0 | 112.2 | D90 D91 D92 G96 K97 K98 | D90-Q94 VanDerWaalsContact O-CG 3.25Å; D90-Q94 WeakPolarHBondContact O-CG 3.45Å; D90-Q94 PolarHBondContact O-N 3.33Å; D91-Q94 WeakPolarHBondContact O-CB 3.48Å; D91-Q94 PolarHBondContact O-N 3.48Å; D92-Q94 VanDerWaalsContact C-N 3.31Å; D92-Q94 PolarHBondContact O-N 3.37Å; Q94-G96 VanDerWaalsContact C-N 3.34Å; Q94-G96 PolarHBondContact O-N 3.37Å; Q94-K97 PolarHBondContact O-N 2.93Å; Q94-K98 WeakPolarHBondContact O-CG 3.38Å; Q94-K98 PolarHBondContact O-N 3.2Å |
| 95 | K | 98.3 | Very high | 98 | Very high | 120 Ų | 120 | 103.8 Ų | 103.8 | 52% | 0.522 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.7 | -43.6 | 174.7 | -68.2 | 170.9 | -157.9 | 156.3 | 0 | 111.3 | D91 D92 K97 K98 L99 | D91-K95 WeakPolarHBondContact O-CG 3.48Å; D91-K95 PolarHBondContact O-N 2.92Å; D92-K95 PolarHBondContact O-N 2.95Å; D92-K95 IonicContact OD1-NZ 3.34Å; D92-K95 PolarHBondContact OD1-NZ 3.34Å; K95-K97 PolarHBondContact O-N 2.84Å; K95-K98 PolarHBondContact O-N 3.42Å; K95-L99 WeakPolarHBondContact O-CB 3.49Å; K95-L99 PolarHBondContact O-N 3.37Å |
| 96 | G | 97.6 | Very high | 97.9 | Very high | 40 Ų | 40 | 105 Ų | 105 | 41% | 0.412 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.8 | -43.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | D92 R93 Q94 L99 S100 | D92-G96 PolarHBondContact O-N 3.03Å; R93-G96 PolarHBondContact O-N 2.85Å; Q94-G96 VanDerWaalsContact C-N 3.34Å; Q94-G96 PolarHBondContact O-N 3.37Å; G96-L99 PolarHBondContact O-N 3.37Å; G96-S100 PolarHBondContact O-N 3.19Å |
| 97 | K | 98.3 | Very high | 97.7 | Very high | 122 Ų | 122 | 103.1 Ų | 103.1 | 53% | 0.53 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.9 | -44.8 | 174.2 | -74.2 | -174 | 174.5 | -167.3 | 0 | 112.6 | R93 Q94 K95 S100 R101 | R93-K97 PolarHBondContact O-N 3.01Å; Q94-K97 PolarHBondContact O-N 2.93Å; K95-K97 PolarHBondContact O-N 2.84Å; K97-S100 PolarHBondContact O-N 3.49Å; K97-R101 WeakPolarHBondContact O-CG 3.38Å; K97-R101 PolarHBondContact O-N 2.88Å; K97-R101 VanDerWaalsContact O-N 3.1Å |
| 98 | K | 98.2 | Very high | 97.6 | Very high | 137 Ų | 137 | 106.2 Ų | 106.2 | 60% | 0.596 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.6 | -46.7 | 176.8 | -72.5 | 177.1 | -177.9 | 176.3 | 0 | 111.2 | Q94 K95 S100 R101 E102 | Q94-K98 WeakPolarHBondContact O-CG 3.38Å; Q94-K98 PolarHBondContact O-N 3.2Å; K95-K98 PolarHBondContact O-N 3.42Å; K98-S100 VanDerWaalsContact C-N 3.35Å; K98-S100 PolarHBondContact O-N 3.01Å; K98-R101 PolarHBondContact O-N 2.93Å; K98-E102 PolarHBondContact O-N 3.39Å |
| 99 | L | 98.2 | Very high | 97.5 | Very high | 122 Ų | 122 | 109.1 Ų | 109.1 | 64% | 0.639 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.2 | -44.1 | 178.2 | -178.6 | 61.8 | 0 | 0 | 0 | 111.9 | K95 G96 R101 E102 W103 | K95-L99 WeakPolarHBondContact O-CB 3.49Å; K95-L99 PolarHBondContact O-N 3.37Å; G96-L99 PolarHBondContact O-N 3.37Å; L99-R101 VanDerWaalsContact C-N 3.33Å; L99-R101 PolarHBondContact O-N 3.43Å; L99-E102 PolarHBondContact O-N 3.41Å; L99-W103 WeakPolarHBondContact O-CB 3.3Å; L99-W103 PolarHBondContact O-N 3.1Å |
| 100 | S | 96.6 | Very high | 97.4 | Very high | 62 Ų | 62 | 107 Ų | 107 | 43% | 0.434 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.3 | -44 | 175.9 | -178.5 | 0 | 0 | 0 | 0 | 112 | G96 K97 K98 W103 Q104 | G96-S100 PolarHBondContact O-N 3.19Å; K97-S100 PolarHBondContact O-N 3.49Å; K98-S100 VanDerWaalsContact C-N 3.35Å; K98-S100 PolarHBondContact O-N 3.01Å; S100-W103 WeakPolarHBondContact O-CB 3.45Å; S100-W103 PolarHBondContact O-N 2.93Å; S100-Q104 WeakPolarHBondContact O-CG 3.33Å; S100-Q104 PolarHBondContact O-N 2.88Å |
| 101 | R | 97.6 | Very high | 97.1 | Very high | 143 Ų | 143 | 105.4 Ų | 105.4 | 54% | 0.54 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.3 | -45 | 176.9 | -70.2 | 177.1 | 178.4 | -162.2 | -3 | 112.3 | K97 K98 L99 W103 Q104 R105 | K97-R101 WeakPolarHBondContact O-CG 3.38Å; K97-R101 PolarHBondContact O-N 2.88Å; K97-R101 VanDerWaalsContact O-N 3.1Å; K98-R101 PolarHBondContact O-N 2.93Å; L99-R101 VanDerWaalsContact C-N 3.33Å; L99-R101 PolarHBondContact O-N 3.43Å; R101-W103 VanDerWaalsContact C-N 3.31Å; R101-W103 PolarHBondContact O-N 3.41Å; R101-Q104 PolarHBondContact O-N 3.3Å; R101-R105 WeakPolarHBondContact O-CG 3.28Å; R101-R105 PolarHBondContact O-N 3.25Å |
| 102 | E | 98.1 | Very high | 97 | Very high | 98 Ų | 98 | 103.9 Ų | 103.9 | 46% | 0.458 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.8 | -39.7 | 175.5 | -67.5 | -56.1 | 147.2 | 0 | 0 | 111.5 | K98 L99 Q104 R105 F106 | K98-E102 PolarHBondContact O-N 3.39Å; L99-E102 PolarHBondContact O-N 3.41Å; E102-Q104 PolarHBondContact O-N 2.92Å; E102-R105 VanDerWaalsContact CD-NH1 3.29Å; E102-R105 PolarHBondContact O-N 3.43Å; E102-R105 IonicContact OE1-CZ 2.67Å; E102-R105 VanDerWaalsContact OE1-CZ 3.26Å; E102-R105 IonicContact OE1-NH1 2.75Å; E102-R105 PolarHBondContact OE1-NH1 3.02Å; E102-R105 IonicContact OE1-NH2 3.11Å; E102-R105 PolarHBondContact OE1-NH2 3.26Å; E102-R105 IonicContact OE2-CZ 2.88Å; E102-R105 IonicContact OE2-NH1 2.82Å; E102-R105 PolarHBondContact OE2-NH1 3.29Å; E102-F106 WeakPolarHBondContact O-CB 3.5Å; E102-F106 PolarHBondContact O-N 3.21Å |
| 103 | W | 97.1 | Very high | 96.8 | Very high | 182 Ų | 182 | 102.2 Ų | 102.2 | 69% | 0.689 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.3 | -43.2 | 176.8 | -170.5 | -102.2 | 0 | 0 | 0 | 112.3 | L99 S100 R101 F106 G107 | L99-W103 WeakPolarHBondContact O-CB 3.3Å; L99-W103 PolarHBondContact O-N 3.1Å; S100-W103 WeakPolarHBondContact O-CB 3.45Å; S100-W103 PolarHBondContact O-N 2.93Å; R101-W103 VanDerWaalsContact C-N 3.31Å; R101-W103 PolarHBondContact O-N 3.41Å; W103-F106 PolarHBondContact O-N 3.04Å; W103-G107 PolarHBondContact O-N 2.83Å |
| 104 | Q | 95.6 | Very high | 96.8 | Very high | 105 Ų | 105 | 100.5 Ų | 100.5 | 49% | 0.491 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.6 | -43.1 | 174.4 | -71.4 | 177.4 | 3.1 | 0 | 0 | 112 | S100 R101 E102 G107 R108 | S100-Q104 WeakPolarHBondContact O-CG 3.33Å; S100-Q104 PolarHBondContact O-N 2.88Å; R101-Q104 PolarHBondContact O-N 3.3Å; E102-Q104 PolarHBondContact O-N 2.92Å; Q104-G107 PolarHBondContact O-N 2.88Å; Q104-R108 PolarHBondContact O-N 3.35Å |
| 105 | R | 97.1 | Very high | 96.5 | Very high | 128 Ų | 128 | 101.5 Ų | 101.5 | 48% | 0.483 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.6 | -45.6 | 175.6 | -71.6 | -173.5 | -147.6 | 147.3 | 10.1 | 111.6 | R101 E102 G107 R108 Y109 | R101-R105 WeakPolarHBondContact O-CG 3.28Å; R101-R105 PolarHBondContact O-N 3.25Å; E102-R105 VanDerWaalsContact CD-NH1 3.29Å; E102-R105 PolarHBondContact O-N 3.43Å; E102-R105 IonicContact OE1-CZ 2.67Å; E102-R105 VanDerWaalsContact OE1-CZ 3.26Å; E102-R105 IonicContact OE1-NH1 2.75Å; E102-R105 PolarHBondContact OE1-NH1 3.02Å; E102-R105 IonicContact OE1-NH2 3.11Å; E102-R105 PolarHBondContact OE1-NH2 3.26Å; E102-R105 IonicContact OE2-CZ 2.88Å; E102-R105 IonicContact OE2-NH1 2.82Å; E102-R105 PolarHBondContact OE2-NH1 3.29Å; R105-G107 VanDerWaalsContact C-N 3.32Å; R105-G107 PolarHBondContact O-N 2.88Å; R105-R108 PolarHBondContact O-N 3.35Å; R105-Y109 WeakPolarHBondContact O-CB 3.25Å; R105-Y109 PolarHBondContact O-N 3.25Å |
| 106 | F | 96.6 | Very high | 96.5 | Very high | 113 Ų | 113 | 103.5 Ų | 103.5 | 50% | 0.496 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -57.9 | -46.4 | 175.6 | 174.6 | -100.8 | 0 | 0 | 0 | 111.2 | E102 W103 R108 Y109 T110 | E102-F106 WeakPolarHBondContact O-CB 3.5Å; E102-F106 PolarHBondContact O-N 3.21Å; W103-F106 PolarHBondContact O-N 3.04Å; F106-R108 PolarHBondContact O-N 2.64Å; F106-Y109 PolarHBondContact O-N 2.85Å; F106-T110 WeakPolarHBondContact CE2-OG1 3.32Å; F106-T110 WeakPolarHBondContact CZ-OG1 3.46Å; F106-T110 WeakPolarHBondContact O-CB 3.45Å; F106-T110 PolarHBondContact O-N 3.26Å; F106-T110 PolarHBondContact O-OG1 3.2Å |
| 107 | G | 94.8 | Very high | 96.5 | Very high | 36 Ų | 36 | 106.2 Ų | 106.2 | 37% | 0.371 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -56.9 | -49 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | W103 Q104 R105 Y109 A111 | W103-G107 PolarHBondContact O-N 2.83Å; Q104-G107 PolarHBondContact O-N 2.88Å; R105-G107 VanDerWaalsContact C-N 3.32Å; R105-G107 PolarHBondContact O-N 2.88Å; G107-Y109 PolarHBondContact O-N 3.39Å; G107-A111 WeakPolarHBondContact O-CB 3.03Å; G107-A111 PolarHBondContact O-N 2.92Å |
| 108 | R | 95.1 | Very high | 96.5 | Very high | 146 Ų | 146 | 104 Ų | 104 | 55% | 0.551 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.8 | -43.5 | 176.9 | -71.3 | -166.6 | -65.3 | -89.5 | 8.6 | 112.3 | Q104 R105 F106 S112 | Q104-R108 PolarHBondContact O-N 3.35Å; R105-R108 PolarHBondContact O-N 3.35Å; F106-R108 PolarHBondContact O-N 2.64Å; R108-S112 VanDerWaalsContact O-CB 3.31Å; R108-S112 WeakPolarHBondContact O-CB 3.23Å; R108-S112 PolarHBondContact O-N 3.05Å; R108-S112 PolarHBondContact O-OG 3.5Å |
| 109 | Y | 97.8 | Very high | 96.4 | Very high | 168 Ų | 168 | 99 Ų | 99 | 66% | 0.659 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62 | -52.1 | 178.5 | 172.9 | -96.5 | 0 | 0 | 0 | 111.6 | R105 F106 G107 A111 S112 A113 | R105-Y109 WeakPolarHBondContact O-CB 3.25Å; R105-Y109 PolarHBondContact O-N 3.25Å; F106-Y109 PolarHBondContact O-N 2.85Å; G107-Y109 PolarHBondContact O-N 3.39Å; Y109-A111 PolarHBondContact O-N 2.88Å; Y109-S112 PolarHBondContact O-N 3.37Å; Y109-A113 WeakPolarHBondContact O-CB 3.49Å; Y109-A113 PolarHBondContact O-N 3.45Å |
| 110 | T | 96.8 | Very high | 96.4 | Very high | 54 Ų | 54 | 96 Ų | 96 | 33% | 0.331 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.3 | -42.3 | -178.3 | -61.9 | 0 | 0 | 0 | 0 | 111.2 | F106 A113 M114 | F106-T110 WeakPolarHBondContact CE2-OG1 3.32Å; F106-T110 WeakPolarHBondContact CZ-OG1 3.46Å; F106-T110 WeakPolarHBondContact O-CB 3.45Å; F106-T110 PolarHBondContact O-N 3.26Å; F106-T110 PolarHBondContact O-OG1 3.2Å; T110-A113 PolarHBondContact O-N 3.31Å; T110-M114 VanDerWaalsContact O-CG 3.25Å; T110-M114 WeakPolarHBondContact O-CG 3.48Å; T110-M114 PolarHBondContact O-N 3.22Å |
| 111 | A | 92.3 | Very high | 96.5 | Very high | 44 Ų | 44 | 100.9 Ų | 100.9 | 36% | 0.364 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -57.4 | -54.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | G107 Y109 A113 M114 W115 | G107-A111 WeakPolarHBondContact O-CB 3.03Å; G107-A111 PolarHBondContact O-N 2.92Å; Y109-A111 PolarHBondContact O-N 2.88Å; A111-A113 VanDerWaalsContact C-N 3.28Å; A111-A113 PolarHBondContact O-N 3.25Å; A111-M114 PolarHBondContact O-N 3.1Å; A111-W115 PolarHBondContact O-N 3.47Å |
| 112 | S | 94.8 | Very high | 96.5 | Very high | 63 Ų | 63 | 97 Ų | 97 | 44% | 0.441 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -58 | -38.1 | -179.2 | -60.2 | 0 | 0 | 0 | 0 | 113.2 | R108 Y109 K116 | R108-S112 VanDerWaalsContact O-CB 3.31Å; R108-S112 WeakPolarHBondContact O-CB 3.23Å; R108-S112 PolarHBondContact O-N 3.05Å; R108-S112 PolarHBondContact O-OG 3.5Å; Y109-S112 PolarHBondContact O-N 3.37Å; S112-K116 WeakPolarHBondContact O-CG 3.33Å; S112-K116 PolarHBondContact O-N 2.92Å |
| 113 | A | 96 | Very high | 96.5 | Very high | 30 Ų | 30 | 97.7 Ų | 97.7 | 25% | 0.248 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -63.5 | -47.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y109 T110 A111 W115 K116 E117 | Y109-A113 WeakPolarHBondContact O-CB 3.49Å; Y109-A113 PolarHBondContact O-N 3.45Å; T110-A113 PolarHBondContact O-N 3.31Å; A111-A113 VanDerWaalsContact C-N 3.28Å; A111-A113 PolarHBondContact O-N 3.25Å; A113-W115 VanDerWaalsContact C-N 3.34Å; A113-W115 PolarHBondContact O-N 3.3Å; A113-K116 PolarHBondContact O-N 3.27Å; A113-E117 PolarHBondContact O-N 3.05Å |
| 114 | M | 96.6 | Very high | 96.6 | Very high | 92 Ų | 92 | 93.6 Ų | 93.6 | 45% | 0.453 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.5 | -40 | 179.3 | -67.8 | -85.7 | 60 | 0 | 0 | 112.9 | T110 A111 K116 E117 V118 | T110-M114 VanDerWaalsContact O-CG 3.25Å; T110-M114 WeakPolarHBondContact O-CG 3.48Å; T110-M114 PolarHBondContact O-N 3.22Å; A111-M114 PolarHBondContact O-N 3.1Å; M114-K116 VanDerWaalsContact C-N 3.33Å; M114-K116 PolarHBondContact O-N 3.37Å; M114-E117 HydrophobicContact CE-CB 4.12Å; M114-E117 HydrophobicContact CE-CG 4.49Å; M114-E117 WeakPolarHBondContact CE-OE2 3.28Å; M114-E117 PolarHBondContact O-N 3.49Å; M114-V118 WeakPolarHBondContact O-CB 3.48Å; M114-V118 WeakPolarHBondContact O-CG2 3.33Å; M114-V118 PolarHBondContact O-N 2.99Å |
| 115 | W | 92.9 | Very high | 96.8 | Very high | 126 Ų | 126 | 93.3 Ų | 93.3 | 48% | 0.477 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -57 | -45.1 | 173.7 | -75.7 | 118.3 | 0 | 0 | 0 | 113.1 | A111 A113 G119 L346 | A111-W115 PolarHBondContact O-N 3.47Å; A113-W115 VanDerWaalsContact C-N 3.34Å; A113-W115 PolarHBondContact O-N 3.3Å; W115-G119 PolarHBondContact O-N 3.01Å; W115-L346 HydrophobicContact CE3-CD1 4.31Å; W115-L346 HydrophobicContact CH2-CB 3.3Å; W115-L346 HydrophobicContact CH2-CD1 3.62Å; W115-L346 HydrophobicContact CH2-CD2 2.9Å; W115-L346 HydrophobicContact CH2-CG 3.2Å; W115-L346 HydrophobicContact CZ2-CD2 3.57Å; W115-L346 HydrophobicContact CZ2-CG 4.31Å; W115-L346 HydrophobicContact CZ3-CB 3.52Å; W115-L346 HydrophobicContact CZ3-CD1 3.26Å; W115-L346 HydrophobicContact CZ3-CD2 3.58Å; W115-L346 HydrophobicContact CZ3-CG 3.42Å; W115-L346 VanDerWaalsContact CZ3-CG 3.42Å |
| 116 | K | 97.9 | Very high | 96.8 | Very high | 162 Ų | 162 | 91.3 Ų | 91.3 | 70% | 0.704 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -64.9 | -43.9 | 177.7 | -72.6 | 174.4 | -178 | 178.6 | 0 | 111.6 | S112 A113 M114 G119 A120 | S112-K116 WeakPolarHBondContact O-CG 3.33Å; S112-K116 PolarHBondContact O-N 2.92Å; A113-K116 PolarHBondContact O-N 3.27Å; M114-K116 VanDerWaalsContact C-N 3.33Å; M114-K116 PolarHBondContact O-N 3.37Å; K116-G119 PolarHBondContact O-N 3.01Å; K116-A120 WeakPolarHBondContact O-CB 3.35Å; K116-A120 PolarHBondContact O-N 3.48Å |
| 117 | E | 97.9 | Very high | 96.9 | Very high | 98 Ų | 98 | 90.3 Ų | 90.3 | 46% | 0.458 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -66 | -46.8 | 179.7 | -72 | -176.9 | -175.3 | 0 | 0 | 112.1 | A113 M114 G119 A120 Y121 | A113-E117 PolarHBondContact O-N 3.05Å; M114-E117 HydrophobicContact CE-CB 4.12Å; M114-E117 HydrophobicContact CE-CG 4.49Å; M114-E117 WeakPolarHBondContact CE-OE2 3.28Å; M114-E117 PolarHBondContact O-N 3.49Å; E117-G119 VanDerWaalsContact C-N 3.32Å; E117-G119 PolarHBondContact O-N 3.4Å; E117-A120 WeakPolarHBondContact O-CB 3.48Å; E117-A120 PolarHBondContact O-N 2.97Å; E117-A120 VanDerWaalsContact O-N 3.15Å; E117-Y121 HydrophobicContact CB-CE2 4.33Å; E117-Y121 WeakPolarHBondContact O-CD2 3.38Å; E117-Y121 PolarHBondContact O-N 2.79Å |
| 118 | V | 98 | Very high | 97.1 | Very high | 76 Ų | 76 | 93.1 Ų | 93.1 | 46% | 0.461 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60.5 | -44.1 | 175.2 | 172.6 | 0 | 0 | 0 | 0 | 110.8 | M114 A120 Y121 M122 | M114-V118 WeakPolarHBondContact O-CB 3.48Å; M114-V118 WeakPolarHBondContact O-CG2 3.33Å; M114-V118 PolarHBondContact O-N 2.99Å; V118-A120 VanDerWaalsContact C-N 3.31Å; V118-A120 PolarHBondContact O-N 2.82Å; V118-Y121 PolarHBondContact O-N 2.74Å; V118-M122 HydrophobicContact CG1-CG 4.42Å; V118-M122 HydrophobicContact CG1-SD 4.14Å; V118-M122 WeakPolarHBondContact O-CG 3.48Å; V118-M122 PolarHBondContact O-N 3.31Å |
| 119 | G | 97.4 | Very high | 97.3 | Very high | 30 Ų | 30 | 90.2 Ų | 90.2 | 31% | 0.309 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -58.2 | -42.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | W115 K116 E117 M122 M123 | W115-G119 PolarHBondContact O-N 3.01Å; K116-G119 PolarHBondContact O-N 3.01Å; E117-G119 VanDerWaalsContact C-N 3.32Å; E117-G119 PolarHBondContact O-N 3.4Å; G119-M122 PolarHBondContact O-N 2.95Å; G119-M123 WeakPolarHBondContact O-CG 3.25Å; G119-M123 PolarHBondContact O-N 2.86Å |
| 120 | A | 98.3 | Very high | 97.3 | Very high | 60 Ų | 60 | 84.7 Ų | 84.7 | 50% | 0.496 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -64.1 | -44.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | K116 E117 V118 M122 M123 K124 | K116-A120 WeakPolarHBondContact O-CB 3.35Å; K116-A120 PolarHBondContact O-N 3.48Å; E117-A120 WeakPolarHBondContact O-CB 3.48Å; E117-A120 PolarHBondContact O-N 2.97Å; E117-A120 VanDerWaalsContact O-N 3.15Å; V118-A120 VanDerWaalsContact C-N 3.31Å; V118-A120 PolarHBondContact O-N 2.82Å; A120-M122 PolarHBondContact O-N 3.28Å; A120-M123 PolarHBondContact O-N 3.25Å; A120-K124 PolarHBondContact O-N 3.43Å |
| 121 | Y | 98.4 | Very high | 97.4 | Very high | 165 Ų | 165 | 86 Ų | 86 | 65% | 0.647 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -63 | -41.3 | 175.6 | -68.2 | -50.9 | 0 | 0 | 0 | 112.3 | E117 V118 M123 K124 L125 | E117-Y121 HydrophobicContact CB-CE2 4.33Å; E117-Y121 WeakPolarHBondContact O-CD2 3.38Å; E117-Y121 PolarHBondContact O-N 2.79Å; V118-Y121 PolarHBondContact O-N 2.74Å; Y121-M123 VanDerWaalsContact C-N 3.34Å; Y121-M123 PolarHBondContact O-N 2.95Å; Y121-K124 PolarHBondContact O-N 2.92Å; Y121-L125 WeakPolarHBondContact O-CB 3.48Å; Y121-L125 PolarHBondContact O-N 3.48Å |
| 122 | M | 97.9 | Very high | 97.7 | Very high | 61 Ų | 61 | 89.9 Ų | 89.9 | 30% | 0.3 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.6 | -39.3 | 175.6 | -74.3 | 178.6 | 70.7 | 0 | 0 | 112.4 | V118 G119 A120 K126 M343 | V118-M122 HydrophobicContact CG1-CG 4.42Å; V118-M122 HydrophobicContact CG1-SD 4.14Å; V118-M122 WeakPolarHBondContact O-CG 3.48Å; V118-M122 PolarHBondContact O-N 3.31Å; G119-M122 PolarHBondContact O-N 2.95Å; A120-M122 PolarHBondContact O-N 3.28Å; M122-K126 WeakPolarHBondContact O-CG 3.37Å; M122-K126 PolarHBondContact O-N 3.25Å; M122-M343 HydrophobicContact CE-CG 4.12Å; M122-M343 HydrophobicContact CE-SD 3.68Å |
| 123 | M | 98.3 | Very high | 97.9 | Very high | 112 Ų | 112 | 92.7 Ų | 92.7 | 55% | 0.552 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -66.3 | -42.3 | 174.5 | -71.3 | -60.1 | 134.9 | 0 | 0 | 111.6 | G119 A120 Y121 L125 K126 E127 | G119-M123 WeakPolarHBondContact O-CG 3.25Å; G119-M123 PolarHBondContact O-N 2.86Å; A120-M123 PolarHBondContact O-N 3.25Å; Y121-M123 VanDerWaalsContact C-N 3.34Å; Y121-M123 PolarHBondContact O-N 2.95Å; M123-L125 VanDerWaalsContact C-N 3.3Å; M123-L125 PolarHBondContact O-N 3.01Å; M123-K126 HydrophobicContact CE-CD 4.43Å; M123-K126 PolarHBondContact O-N 3.45Å; M123-K126 HydrophobicContact SD-CD 4.4Å; M123-E127 PolarHBondContact O-N 3.29Å |
| 124 | K | 98.6 | Very high | 98 | Very high | 97 Ų | 97 | 93 Ų | 93 | 42% | 0.422 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.4 | -37.3 | 177.9 | -170.3 | 59.5 | -177.1 | 175.2 | 0 | 112.2 | A120 Y121 E127 L128 | A120-K124 PolarHBondContact O-N 3.43Å; Y121-K124 PolarHBondContact O-N 2.92Å; K124-E127 VanDerWaalsContact CD-OE2 3.29Å; K124-E127 WeakPolarHBondContact CD-OE2 3.25Å; K124-E127 IonicContact NZ-OE1 3.95Å; K124-E127 PolarHBondContact NZ-OE1 3.38Å; K124-E127 IonicContact NZ-OE2 3.01Å; K124-E127 PolarHBondContact NZ-OE2 3.49Å; K124-E127 PolarHBondContact O-N 2.88Å; K124-L128 HydrophobicContact CG-CD1 4.4Å; K124-L128 WeakPolarHBondContact O-CG 3.43Å; K124-L128 PolarHBondContact O-N 2.97Å |
| 125 | L | 98.6 | Very high | 98.1 | Very high | 99 Ų | 99 | 92.2 Ų | 92.2 | 52% | 0.518 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.3 | -47.2 | 175.3 | -172.8 | 66.7 | 0 | 0 | 0 | 111.3 | Y121 M123 E127 L128 E129 | Y121-L125 WeakPolarHBondContact O-CB 3.48Å; Y121-L125 PolarHBondContact O-N 3.48Å; M123-L125 VanDerWaalsContact C-N 3.3Å; M123-L125 PolarHBondContact O-N 3.01Å; L125-E127 VanDerWaalsContact C-N 3.32Å; L125-E127 PolarHBondContact O-N 3.45Å; L125-L128 PolarHBondContact O-N 3.02Å; L125-E129 WeakPolarHBondContact O-CG 3.47Å; L125-E129 PolarHBondContact O-N 3.31Å |
| 126 | K | 98.4 | Very high | 98.3 | Very high | 85 Ų | 85 | 91.3 Ų | 91.3 | 37% | 0.37 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -59.9 | -40.1 | 176.2 | -71.6 | 177 | -175.3 | 178.3 | 0 | 112.8 | M122 M123 E129 A130 | M122-K126 WeakPolarHBondContact O-CG 3.37Å; M122-K126 PolarHBondContact O-N 3.25Å; M123-K126 HydrophobicContact CE-CD 4.43Å; M123-K126 PolarHBondContact O-N 3.45Å; M123-K126 HydrophobicContact SD-CD 4.4Å; K126-E129 PolarHBondContact O-N 3.05Å; K126-A130 WeakPolarHBondContact O-CB 3.32Å; K126-A130 PolarHBondContact O-N 3.35Å |
| 127 | E | 98.6 | Very high | 98.4 | Very high | 93 Ų | 93 | 90.5 Ų | 90.5 | 44% | 0.435 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.8 | -44.1 | 176.2 | -170.8 | -160.6 | 143.6 | 0 | 0 | 111.1 | M123 K124 L125 A130 N131 | M123-E127 PolarHBondContact O-N 3.29Å; K124-E127 VanDerWaalsContact CD-OE2 3.29Å; K124-E127 WeakPolarHBondContact CD-OE2 3.25Å; K124-E127 IonicContact NZ-OE1 3.95Å; K124-E127 PolarHBondContact NZ-OE1 3.38Å; K124-E127 IonicContact NZ-OE2 3.01Å; K124-E127 PolarHBondContact NZ-OE2 3.49Å; K124-E127 PolarHBondContact O-N 2.88Å; L125-E127 VanDerWaalsContact C-N 3.32Å; L125-E127 PolarHBondContact O-N 3.45Å; E127-A130 PolarHBondContact O-N 2.98Å; E127-N131 WeakPolarHBondContact O-CB 3.28Å; E127-N131 PolarHBondContact O-N 3.22Å; E127-N131 PolarHBondContact O-ND2 3.45Å |
| 128 | L | 98.6 | Very high | 98.4 | Very high | 94 Ų | 94 | 90.6 Ų | 90.6 | 49% | 0.492 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -65.7 | -40 | 177.3 | -70.7 | 172.3 | 0 | 0 | 0 | 112.4 | K124 L125 N131 Q132 | K124-L128 HydrophobicContact CG-CD1 4.4Å; K124-L128 WeakPolarHBondContact O-CG 3.43Å; K124-L128 PolarHBondContact O-N 2.97Å; L125-L128 PolarHBondContact O-N 3.02Å; L128-N131 PolarHBondContact O-N 3.21Å; L128-Q132 WeakPolarHBondContact O-CB 3.43Å; L128-Q132 PolarHBondContact O-N 2.87Å |
| 129 | E | 98.5 | Very high | 98.4 | Very high | 86 Ų | 86 | 90.5 Ų | 90.5 | 40% | 0.402 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -59.1 | -48.3 | 173.3 | -72.5 | 171.5 | 163.6 | 0 | 0 | 111 | L125 K126 N131 Q132 E133 | L125-E129 WeakPolarHBondContact O-CG 3.47Å; L125-E129 PolarHBondContact O-N 3.31Å; K126-E129 PolarHBondContact O-N 3.05Å; E129-N131 PolarHBondContact O-N 2.92Å; E129-Q132 WeakPolarHBondContact O-CB 3.27Å; E129-Q132 PolarHBondContact O-N 3.16Å; E129-E133 WeakPolarHBondContact O-CG 3.43Å; E129-E133 PolarHBondContact O-N 3.19Å |
| 130 | A | 98.6 | Very high | 98.4 | Very high | 51 Ų | 51 | 92.1 Ų | 92.1 | 42% | 0.421 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.6 | -40.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | K126 E127 E133 S134 | K126-A130 WeakPolarHBondContact O-CB 3.32Å; K126-A130 PolarHBondContact O-N 3.35Å; E127-A130 PolarHBondContact O-N 2.98Å; A130-E133 PolarHBondContact O-N 2.91Å; A130-S134 PolarHBondContact O-N 2.89Å |
| 131 | N | 98.6 | Very high | 98.4 | Very high | 81 Ų | 81 | 94.4 Ų | 94.4 | 43% | 0.433 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64.2 | -41.8 | 175.5 | -70.9 | -19.7 | 0 | 0 | 0 | 111.3 | E127 L128 E129 E133 S134 V135 | E127-N131 WeakPolarHBondContact O-CB 3.28Å; E127-N131 PolarHBondContact O-N 3.22Å; E127-N131 PolarHBondContact O-ND2 3.45Å; L128-N131 PolarHBondContact O-N 3.21Å; E129-N131 PolarHBondContact O-N 2.92Å; N131-E133 VanDerWaalsContact C-N 3.34Å; N131-E133 PolarHBondContact O-N 3.37Å; N131-S134 PolarHBondContact O-N 3.39Å; N131-V135 WeakPolarHBondContact O-CG2 3.32Å; N131-V135 PolarHBondContact O-N 2.94Å |
| 132 | Q | 98.5 | Very high | 98.4 | Very high | 127 Ų | 127 | 91.2 Ų | 91.2 | 59% | 0.593 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -60.8 | -43.1 | 175.6 | -179.2 | 178.4 | -12.1 | 0 | 0 | 111.4 | L128 E129 V135 L136 | L128-Q132 WeakPolarHBondContact O-CB 3.43Å; L128-Q132 PolarHBondContact O-N 2.87Å; E129-Q132 WeakPolarHBondContact O-CB 3.27Å; E129-Q132 PolarHBondContact O-N 3.16Å; Q132-V135 PolarHBondContact O-N 2.94Å; Q132-L136 HydrophobicContact CG-CD1 4.27Å; Q132-L136 WeakPolarHBondContact O-CB 3.48Å; Q132-L136 VanDerWaalsContact O-CG 3.3Å; Q132-L136 WeakPolarHBondContact O-CG 3.35Å; Q132-L136 PolarHBondContact O-N 3.45Å |
| 133 | E | 98.4 | Very high | 98.3 | Very high | 122 Ų | 122 | 95.3 Ų | 95.3 | 57% | 0.57 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -61.8 | -41.8 | 174.6 | -72 | 176.8 | -175.9 | 0 | 0 | 112.3 | E129 A130 N131 L136 R137 | E129-E133 WeakPolarHBondContact O-CG 3.43Å; E129-E133 PolarHBondContact O-N 3.19Å; A130-E133 PolarHBondContact O-N 2.91Å; N131-E133 VanDerWaalsContact C-N 3.34Å; N131-E133 PolarHBondContact O-N 3.37Å; E133-L136 PolarHBondContact O-N 2.82Å; E133-R137 WeakPolarHBondContact O-CG 3.25Å; E133-R137 PolarHBondContact O-N 3.33Å |
| 134 | S | 98.5 | Very high | 98.3 | Very high | 36 Ų | 36 | 95.8 Ų | 95.8 | 25% | 0.252 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.5 | -49.4 | 176.1 | -161.1 | 0 | 0 | 0 | 0 | 111.6 | A130 N131 L136 R137 E138 | A130-S134 PolarHBondContact O-N 2.89Å; N131-S134 PolarHBondContact O-N 3.39Å; S134-L136 VanDerWaalsContact C-N 3.27Å; S134-L136 PolarHBondContact O-N 3.1Å; S134-R137 WeakPolarHBondContact O-CB 3.46Å; S134-R137 PolarHBondContact O-N 2.96Å; S134-R137 VanDerWaalsContact O-N 3.1Å; S134-E138 WeakPolarHBondContact O-CG 3.36Å; S134-E138 PolarHBondContact O-N 3.39Å; S134-E138 PolarHBondContact OG-OE1 2.86Å; S134-E138 VanDerWaalsContact OG-OE1 3.1Å |
| 135 | V | 98.6 | Very high | 98.2 | Very high | 75 Ų | 75 | 95 Ų | 95 | 46% | 0.455 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.6 | -37.1 | 178.5 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | N131 Q132 N139 | N131-V135 WeakPolarHBondContact O-CG2 3.32Å; N131-V135 PolarHBondContact O-N 2.94Å; Q132-V135 PolarHBondContact O-N 2.94Å; V135-N139 WeakPolarHBondContact CG1-ND2 3.5Å; V135-N139 WeakPolarHBondContact O-CB 3.44Å; V135-N139 PolarHBondContact O-N 3.3Å; V135-N139 PolarHBondContact O-ND2 3.42Å |
| 136 | L | 98.4 | Very high | 98 | Very high | 107 Ų | 107 | 94.9 Ų | 94.9 | 56% | 0.56 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -65.5 | -40.7 | 175 | -75.9 | 172.9 | 0 | 0 | 0 | 112.1 | Q132 E133 S134 N139 S140 | Q132-L136 HydrophobicContact CG-CD1 4.27Å; Q132-L136 WeakPolarHBondContact O-CB 3.48Å; Q132-L136 VanDerWaalsContact O-CG 3.3Å; Q132-L136 WeakPolarHBondContact O-CG 3.35Å; Q132-L136 PolarHBondContact O-N 3.45Å; E133-L136 PolarHBondContact O-N 2.82Å; S134-L136 VanDerWaalsContact C-N 3.27Å; S134-L136 PolarHBondContact O-N 3.1Å; L136-N139 PolarHBondContact O-N 2.85Å; L136-S140 PolarHBondContact O-N 3.23Å |
| 137 | R | 98.5 | Very high | 97.8 | Very high | 146 Ų | 146 | 95.5 Ų | 95.5 | 55% | 0.551 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -63.9 | -50.8 | 174.9 | -74.1 | -169.7 | -59.6 | -144.6 | -2.1 | 111.9 | E133 S134 N139 S140 E141 | E133-R137 WeakPolarHBondContact O-CG 3.25Å; E133-R137 PolarHBondContact O-N 3.33Å; S134-R137 WeakPolarHBondContact O-CB 3.46Å; S134-R137 PolarHBondContact O-N 2.96Å; S134-R137 VanDerWaalsContact O-N 3.1Å; R137-N139 VanDerWaalsContact C-N 3.26Å; R137-N139 PolarHBondContact O-N 3.44Å; R137-S140 WeakPolarHBondContact CA-OG 3.38Å; R137-S140 WeakPolarHBondContact O-CA 3.29Å; R137-S140 WeakPolarHBondContact O-CB 3.21Å; R137-S140 PolarHBondContact O-N 3.4Å; R137-S140 PolarHBondContact O-OG 3.5Å; R137-E141 WeakPolarHBondContact O-CG 3.42Å; R137-E141 PolarHBondContact O-N 3.39Å |
| 138 | E | 98.1 | Very high | 97.6 | Very high | 100 Ų | 100 | 95.4 Ų | 95.4 | 47% | 0.467 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -57.3 | -41.4 | 177.4 | -70.7 | 166.2 | -149.2 | 0 | 0 | 111.1 | S134 S140 E141 L142 | S134-E138 WeakPolarHBondContact O-CG 3.36Å; S134-E138 PolarHBondContact O-N 3.39Å; S134-E138 PolarHBondContact OG-OE1 2.86Å; S134-E138 VanDerWaalsContact OG-OE1 3.1Å; E138-S140 VanDerWaalsContact C-N 3.34Å; E138-S140 PolarHBondContact O-N 2.9Å; E138-E141 PolarHBondContact O-N 3.22Å; E138-L142 WeakPolarHBondContact O-CB 3.38Å; E138-L142 VanDerWaalsContact O-CG 3.28Å; E138-L142 WeakPolarHBondContact O-CG 3.29Å; E138-L142 PolarHBondContact O-N 2.9Å |
| 139 | N | 97.9 | Very high | 97.3 | Very high | 73 Ų | 73 | 95.6 Ų | 95.6 | 39% | 0.39 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.1 | -35.1 | 173.7 | -87.4 | -69.2 | 0 | 0 | 0 | 113.4 | V135 L136 R137 K143 | V135-N139 WeakPolarHBondContact CG1-ND2 3.5Å; V135-N139 WeakPolarHBondContact O-CB 3.44Å; V135-N139 PolarHBondContact O-N 3.3Å; V135-N139 PolarHBondContact O-ND2 3.42Å; L136-N139 PolarHBondContact O-N 2.85Å; R137-N139 VanDerWaalsContact C-N 3.26Å; R137-N139 PolarHBondContact O-N 3.44Å; N139-K143 VanDerWaalsContact O-CG 3.25Å; N139-K143 WeakPolarHBondContact O-CG 3.49Å; N139-K143 PolarHBondContact O-N 2.79Å; N139-K143 VanDerWaalsContact O-N 3.09Å |
| 140 | S | 98.1 | Very high | 96.9 | Very high | 65 Ų | 65 | 94.5 Ų | 94.5 | 46% | 0.455 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -69.2 | -41.3 | 175.5 | 62.3 | 0 | 0 | 0 | 0 | 112.2 | L136 R137 E138 K143 E144 | L136-S140 PolarHBondContact O-N 3.23Å; R137-S140 WeakPolarHBondContact CA-OG 3.38Å; R137-S140 WeakPolarHBondContact O-CA 3.29Å; R137-S140 WeakPolarHBondContact O-CB 3.21Å; R137-S140 PolarHBondContact O-N 3.4Å; R137-S140 PolarHBondContact O-OG 3.5Å; E138-S140 VanDerWaalsContact C-N 3.34Å; E138-S140 PolarHBondContact O-N 2.9Å; S140-K143 WeakPolarHBondContact O-CB 3.49Å; S140-K143 PolarHBondContact O-N 3.2Å; S140-E144 PolarHBondContact O-N 3.36Å |
| 141 | E | 97.9 | Very high | 96.5 | Very high | 108 Ų | 108 | 97.7 Ų | 97.7 | 51% | 0.505 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.3 | -43.5 | 175.1 | -68 | 171.1 | -168.9 | 0 | 0 | 111 | R137 E138 K143 E144 I145 | R137-E141 WeakPolarHBondContact O-CG 3.42Å; R137-E141 PolarHBondContact O-N 3.39Å; E138-E141 PolarHBondContact O-N 3.22Å; E141-K143 VanDerWaalsContact C-N 3.32Å; E141-K143 PolarHBondContact O-N 3.38Å; E141-E144 WeakPolarHBondContact O-CB 3.37Å; E141-E144 PolarHBondContact O-N 2.95Å; E141-I145 WeakPolarHBondContact O-CG1 3.43Å; E141-I145 PolarHBondContact O-N 3.44Å |
| 142 | L | 98.1 | Very high | 95.8 | Very high | 97 Ų | 97 | 100.8 Ų | 100.8 | 51% | 0.508 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.1 | -39.9 | 175 | -73.6 | 173.1 | 0 | 0 | 0 | 112.3 | E138 E144 I145 I146 | E138-L142 WeakPolarHBondContact O-CB 3.38Å; E138-L142 VanDerWaalsContact O-CG 3.28Å; E138-L142 WeakPolarHBondContact O-CG 3.29Å; E138-L142 PolarHBondContact O-N 2.9Å; L142-E144 VanDerWaalsContact C-N 3.33Å; L142-I145 PolarHBondContact O-N 2.96Å; L142-I146 VanDerWaalsContact O-CG1 3.27Å; L142-I146 WeakPolarHBondContact O-CG1 3.33Å; L142-I146 PolarHBondContact O-N 3.49Å |
| 143 | K | 97.4 | Very high | 95.1 | Very high | 147 Ų | 147 | 102.2 Ų | 102.2 | 64% | 0.639 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.6 | -39.5 | 175.4 | -76 | 169.8 | -176.4 | 176.1 | 0 | 111.9 | N139 S140 E141 I146 L147 | N139-K143 VanDerWaalsContact O-CG 3.25Å; N139-K143 WeakPolarHBondContact O-CG 3.49Å; N139-K143 PolarHBondContact O-N 2.79Å; N139-K143 VanDerWaalsContact O-N 3.09Å; S140-K143 WeakPolarHBondContact O-CB 3.49Å; S140-K143 PolarHBondContact O-N 3.2Å; E141-K143 VanDerWaalsContact C-N 3.32Å; E141-K143 PolarHBondContact O-N 3.38Å; K143-I146 PolarHBondContact O-N 2.93Å; K143-L147 PolarHBondContact O-N 2.96Å |
| 144 | E | 97.1 | Very high | 93.6 | Very high | 123 Ų | 123 | 101.5 Ų | 101.5 | 58% | 0.575 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.2 | -44.2 | 175.6 | -173.8 | 176.5 | -172.9 | 0 | 0 | 111.5 | S140 E141 L142 I146 L147 M148 | S140-E144 PolarHBondContact O-N 3.36Å; E141-E144 WeakPolarHBondContact O-CB 3.37Å; E141-E144 PolarHBondContact O-N 2.95Å; L142-E144 VanDerWaalsContact C-N 3.33Å; E144-I146 PolarHBondContact O-N 3.05Å; E144-L147 WeakPolarHBondContact O-CB 3.47Å; E144-L147 PolarHBondContact O-N 3.07Å; E144-M148 WeakPolarHBondContact O-CG 3.28Å; E144-M148 PolarHBondContact O-N 3.37Å |
| 145 | I | 96.3 | Very high | 92 | Very high | 80 Ų | 80 | 102 Ų | 102 | 41% | 0.41 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.4 | -45.7 | 175.2 | -67.2 | 166.2 | 0 | 0 | 0 | 111.2 | E141 L142 L147 M148 L149 | E141-I145 WeakPolarHBondContact O-CG1 3.43Å; E141-I145 PolarHBondContact O-N 3.44Å; L142-I145 PolarHBondContact O-N 2.96Å; I145-L147 VanDerWaalsContact C-N 3.3Å; I145-L147 PolarHBondContact O-N 3.37Å; I145-M148 HydrophobicContact CB-CE 4.5Å; I145-M148 HydrophobicContact CG1-CE 4.14Å; I145-M148 PolarHBondContact O-N 3.2Å; I145-L149 HydrophobicContact CG2-CD1 3.94Å; I145-L149 HydrophobicContact CG2-CG 4.37Å; I145-L149 WeakPolarHBondContact O-CG 3.4Å; I145-L149 PolarHBondContact O-N 3.08Å |
| 146 | I | 95 | Very high | 90.1 | Very high | 96 Ų | 96 | 104 Ų | 104 | 49% | 0.492 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59.7 | -43.2 | 177.3 | -70.4 | 165.3 | 0 | 0 | 0 | 110.7 | L142 K143 E144 L149 D150 | L142-I146 VanDerWaalsContact O-CG1 3.27Å; L142-I146 WeakPolarHBondContact O-CG1 3.33Å; L142-I146 PolarHBondContact O-N 3.49Å; K143-I146 PolarHBondContact O-N 2.93Å; E144-I146 PolarHBondContact O-N 3.05Å; I146-L149 PolarHBondContact O-N 3.36Å; I146-D150 WeakPolarHBondContact O-CB 3.37Å; I146-D150 PolarHBondContact O-N 2.78Å |
| 147 | L | 94.6 | Very high | 88.1 | Confident | 98 Ų | 98 | 101.8 Ų | 101.8 | 51% | 0.513 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.7 | -45.1 | 178.5 | -173.5 | 124.5 | 0 | 0 | 0 | 111.6 | K143 E144 I145 L149 D150 E151 | K143-L147 PolarHBondContact O-N 2.96Å; E144-L147 WeakPolarHBondContact O-CB 3.47Å; E144-L147 PolarHBondContact O-N 3.07Å; I145-L147 VanDerWaalsContact C-N 3.3Å; I145-L147 PolarHBondContact O-N 3.37Å; L147-L149 PolarHBondContact O-N 2.95Å; L147-D150 PolarHBondContact O-N 3.48Å; L147-E151 VanDerWaalsContact CD2-OE1 3.32Å; L147-E151 WeakPolarHBondContact CD2-OE1 3.24Å; L147-E151 WeakPolarHBondContact O-CG 3.49Å; L147-E151 PolarHBondContact O-N 2.99Å |
| 148 | M | 93.3 | Very high | 85.7 | Confident | 91 Ų | 91 | 98.9 Ų | 98.9 | 45% | 0.448 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.9 | -43.7 | 175 | -68.3 | -172.1 | -67.8 | 0 | 0 | 112.2 | E144 I145 D150 E151 E152 | E144-M148 WeakPolarHBondContact O-CG 3.28Å; E144-M148 PolarHBondContact O-N 3.37Å; I145-M148 HydrophobicContact CB-CE 4.5Å; I145-M148 HydrophobicContact CG1-CE 4.14Å; I145-M148 PolarHBondContact O-N 3.2Å; M148-D150 VanDerWaalsContact C-N 3.33Å; M148-D150 PolarHBondContact O-N 3.1Å; M148-E151 PolarHBondContact O-N 3.02Å; M148-E152 WeakPolarHBondContact O-CG 3.35Å; M148-E152 PolarHBondContact O-N 3.3Å |
| 149 | L | 93.1 | Very high | 83.7 | Confident | 98 Ų | 98 | 105.1 Ų | 105.1 | 51% | 0.513 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.5 | -35.6 | 177.4 | -69.8 | 173 | 0 | 0 | 0 | 112.5 | I145 I146 L147 R153 | I145-L149 HydrophobicContact CG2-CD1 3.94Å; I145-L149 HydrophobicContact CG2-CG 4.37Å; I145-L149 WeakPolarHBondContact O-CG 3.4Å; I145-L149 PolarHBondContact O-N 3.08Å; I146-L149 PolarHBondContact O-N 3.36Å; L147-L149 PolarHBondContact O-N 2.95Å; L149-R153 PolarHBondContact O-N 3.08Å; L149-R153 VanDerWaalsContact O-N 3.09Å |
| 150 | D | 90.9 | Very high | 81.6 | Confident | 63 Ų | 63 | 107.4 Ų | 107.4 | 34% | 0.337 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -67.9 | -40.7 | 173.8 | -78.2 | -22.4 | 0 | 0 | 0 | 111.3 | I146 L147 M148 R153 N154 | I146-D150 WeakPolarHBondContact O-CB 3.37Å; I146-D150 PolarHBondContact O-N 2.78Å; L147-D150 PolarHBondContact O-N 3.48Å; M148-D150 VanDerWaalsContact C-N 3.33Å; M148-D150 PolarHBondContact O-N 3.1Å; D150-R153 PolarHBondContact O-N 3.46Å; D150-R153 IonicContact OD1-CZ 3.98Å; D150-R153 IonicContact OD1-NH1 2.79Å; D150-R153 PolarHBondContact OD1-NH1 3.42Å; D150-R153 IonicContact OD1-NH2 3.82Å; D150-R153 PolarHBondContact OD1-NH2 3.04Å; D150-N154 VanDerWaalsContact O-CB 3.29Å; D150-N154 WeakPolarHBondContact O-CB 3.45Å; D150-N154 VanDerWaalsContact O-CG 3.31Å; D150-N154 PolarHBondContact O-N 3.36Å; D150-N154 PolarHBondContact O-OD1 3.25Å |
| 151 | E | 89 | Confident | 79.4 | Confident | 118 Ų | 118 | 109.6 Ų | 109.6 | 55% | 0.551 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -62.9 | -41.5 | 174.7 | -74.2 | 176.3 | 179.1 | 0 | 0 | 112.2 | L147 M148 N154 G155 | L147-E151 VanDerWaalsContact CD2-OE1 3.32Å; L147-E151 WeakPolarHBondContact CD2-OE1 3.24Å; L147-E151 WeakPolarHBondContact O-CG 3.49Å; L147-E151 PolarHBondContact O-N 2.99Å; M148-E151 PolarHBondContact O-N 3.02Å; E151-N154 CarbonylContact O-C 3.54Å; E151-N154 PolarHBondContact O-N 3.04Å; E151-G155 WeakPolarHBondContact O-CA 3.41Å; E151-G155 PolarHBondContact O-N 3.11Å |
| 152 | E | 84.8 | Confident | 77.2 | Confident | 147 Ų | 147 | 112.2 Ų | 112.2 | 69% | 0.687 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -65.2 | -36.1 | 174.2 | -73 | -178.3 | 171.7 | 0 | 0 | 112.6 | M148 N154 | M148-E152 WeakPolarHBondContact O-CG 3.35Å; M148-E152 PolarHBondContact O-N 3.3Å; E152-N154 VanDerWaalsContact C-N 3.29Å; E152-N154 PolarHBondContact O-N 2.94Å |
| 153 | R | 82.6 | Confident | 74.9 | Confident | 157 Ų | 157 | 113.5 Ų | 113.5 | 59% | 0.592 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -68.5 | -30.3 | 174 | -170.6 | 176 | 68.7 | -116.4 | -3.1 | 112.1 | L149 D150 | L149-R153 PolarHBondContact O-N 3.08Å; L149-R153 VanDerWaalsContact O-N 3.09Å; D150-R153 PolarHBondContact O-N 3.46Å; D150-R153 IonicContact OD1-CZ 3.98Å; D150-R153 IonicContact OD1-NH1 2.79Å; D150-R153 PolarHBondContact OD1-NH1 3.42Å; D150-R153 IonicContact OD1-NH2 3.82Å; D150-R153 PolarHBondContact OD1-NH2 3.04Å |
| 154 | N | 67.9 | Low | 72.7 | Confident | 107 Ų | 107 | 112.1 Ų | 112.1 | 57% | 0.572 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -98.5 | -16.7 | -174.3 | -73 | 50.2 | 0 | 0 | 0 | 113.8 | D150 E151 E152 | D150-N154 VanDerWaalsContact O-CB 3.29Å; D150-N154 WeakPolarHBondContact O-CB 3.45Å; D150-N154 VanDerWaalsContact O-CG 3.31Å; D150-N154 PolarHBondContact O-N 3.36Å; D150-N154 PolarHBondContact O-OD1 3.25Å; E151-N154 CarbonylContact O-C 3.54Å; E151-N154 PolarHBondContact O-N 3.04Å; E152-N154 VanDerWaalsContact C-N 3.29Å; E152-N154 PolarHBondContact O-N 2.94Å |
| 155 | G | 64.8 | Low | 70.6 | Confident | 45 Ų | 45 | 115.1 Ų | 115.1 | 46% | 0.464 | 64% | 0.641 | S | S | . | * | S | Bend | trans | -105.2 | 120.8 | 180 | 0 | 0 | 0 | 0 | 0 | 112.7 | E151 | E151-G155 WeakPolarHBondContact O-CA 3.41Å; E151-G155 PolarHBondContact O-N 3.11Å |
| 156 | A | 58.1 | Low | 68.1 | Low | 117 Ų | 117 | 116.5 Ų | 116.5 | 97% | 0.967 | 66% | 0.658 | S | S | * | * | S | Bend | trans | 61.8 | 49.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 157 | G | 56.2 | Low | 65.9 | Low | 61 Ų | 61 | 116.9 Ų | 116.9 | 63% | 0.629 | 67% | 0.669 | S | S | * | * | trans | 168.2 | 17.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 118 | R159 | G157-R159 VanDerWaalsContact C-N 3.25Å; G157-R159 PolarHBondContact O-N 3.08Å | ||
| 158 | S | 48.7 | Very low | 63.7 | Low | 86 Ų | 86 | 120 Ų | 120 | 60% | 0.601 | 69% | 0.686 | S | S | * | * | trans | -65.2 | 83.3 | 175.9 | -58.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 159 | R | 56.4 | Low | 61.4 | Low | 231 Ų | 231 | 121.8 Ų | 121.8 | 87% | 0.872 | 71% | 0.707 | S | S | * | * | trans | -96.7 | 88.3 | 156.9 | -61.7 | -178.8 | 84.9 | -156.4 | 6.4 | 106.5 | G157 S161 | G157-R159 VanDerWaalsContact C-N 3.25Å; G157-R159 PolarHBondContact O-N 3.08Å; R159-S161 VanDerWaalsContact C-N 3.31Å; R159-S161 PolarHBondContact O-N 3.28Å | ||
| 160 | S | 52.4 | Low | 59 | Low | 120 Ų | 120 | 124 Ų | 124 | 84% | 0.839 | 72% | 0.719 | S | S | * | * | trans | -57.6 | 95.7 | 158.1 | 48.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 161 | S | 52.3 | Low | 56.9 | Low | 112 Ų | 112 | 128.4 Ų | 128.4 | 78% | 0.783 | 74% | 0.742 | S | S | * | * | trans | -92.2 | 103.9 | 166.5 | 62.3 | 0 | 0 | 0 | 0 | 109.1 | R159 | R159-S161 VanDerWaalsContact C-N 3.31Å; R159-S161 PolarHBondContact O-N 3.28Å | ||
| 162 | I | 52.5 | Low | 54.5 | Low | 162 Ų | 162 | 131 Ų | 131 | 83% | 0.831 | 76% | 0.76 | S | S | * | * | trans | -45.9 | 152.3 | 161 | -153.5 | 154.4 | 0 | 0 | 0 | 111.8 | ||||
| 163 | D | 50 | Low | 52.3 | Low | 125 Ų | 125 | 127.2 Ų | 127.2 | 67% | 0.668 | 76% | 0.76 | S | S | * | * | trans | 82.2 | 100.6 | 164.3 | -162.9 | 10.2 | 0 | 0 | 0 | 119.5 | Q165 | D163-Q165 PolarHBondContact OD1-N 3.24Å; D163-Q165 VanDerWaalsContact OD1-N 3.11Å | ||
| 164 | S | 50.4 | Low | 50.2 | Low | 117 Ų | 117 | 125.6 Ų | 125.6 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | -148.6 | 66.4 | 129.5 | -71.9 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 165 | Q | 52.6 | Low | 49.1 | Very low | 186 Ų | 186 | 125.3 Ų | 125.3 | 87% | 0.869 | 79% | 0.785 | S | S | * | * | trans | -97.4 | 87.1 | 153.7 | -76.6 | -151.1 | -11.7 | 0 | 0 | 107.3 | D163 | D163-Q165 PolarHBondContact OD1-N 3.24Å; D163-Q165 VanDerWaalsContact OD1-N 3.11Å | ||
| 166 | S | 44.9 | Very low | 48 | Very low | 110 Ų | 110 | 126.4 Ų | 126.4 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | trans | -123.5 | 104.4 | 167.3 | 26.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 167 | S | 48.2 | Very low | 47.3 | Very low | 104 Ų | 104 | 127 Ų | 127 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | -61.3 | 143.8 | 175.8 | -48.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 168 | L | 49.7 | Very low | 46.9 | Very low | 164 Ų | 164 | 129.8 Ų | 129.8 | 86% | 0.859 | 79% | 0.793 | S | S | * | * | trans | 33.1 | 113.1 | 132.5 | -55.7 | 172.9 | 0 | 0 | 0 | 118.2 | ||||
| 169 | S | 44.3 | Very low | 47.1 | Very low | 128 Ų | 128 | 137.1 Ų | 137.1 | 90% | 0.895 | 81% | 0.807 | S | S | * | * | trans | -163.9 | 95.9 | 149.4 | -76.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 170 | N | 43 | Very low | 46.8 | Very low | 145 Ų | 145 | 133 Ų | 133 | 78% | 0.775 | 80% | 0.802 | S | S | * | * | trans | 10.3 | 133.9 | 147.1 | -77.2 | 9.2 | 0 | 0 | 0 | 123.5 | ||||
| 171 | L | 47 | Very low | 46.7 | Very low | 154 Ų | 154 | 133.5 Ų | 133.5 | 81% | 0.806 | 80% | 0.801 | S | S | * | * | 61.3 | 119.2 | 129.6 | -57.4 | 170.4 | 0 | 0 | 0 | 120.5 | |||||
| 172 | N | 38.3 | Very low | 46.7 | Very low | 173 Ų | 173 | 131.2 Ų | 131.2 | 93% | 0.925 | 79% | 0.794 | S | S | * | * | 145 | 128.6 | 114.4 | -163.7 | 49.7 | 0 | 0 | 0 | 112.5 | |||||
| 173 | G | 38.3 | Very low | 46.9 | Very low | 67 Ų | 67 | 131.6 Ų | 131.6 | 69% | 0.691 | 80% | 0.798 | S | S | * | * | trans | 129.4 | 72.9 | 153.8 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 174 | S | 38.3 | Very low | 46.4 | Very low | 124 Ų | 124 | 128.9 Ų | 128.9 | 87% | 0.867 | 80% | 0.8 | S | S | * | * | 48.3 | 122.8 | 129.5 | -124.3 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 175 | A | 45.7 | Very low | 46.1 | Very low | 100 Ų | 100 | 128.6 Ų | 128.6 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | 92.6 | 124.2 | 125 | 0 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 176 | G | 40.8 | Very low | 45.9 | Very low | 69 Ų | 69 | 125.1 Ų | 125.1 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | trans | 101.2 | 132.5 | 146.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 177 | T | 43.8 | Very low | 45.6 | Very low | 129 Ų | 129 | 127 Ų | 127 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | cis | -177.5 | 140.8 | 13.1 | 33.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 178 | V | 46.4 | Very low | 45.2 | Very low | 120 Ų | 120 | 126.8 Ų | 126.8 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | 74.4 | 113.5 | 129.9 | 178.5 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 179 | R | 54.8 | Low | 45 | Very low | 239 Ų | 239 | 124 Ų | 124 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | 173.6 | 118.4 | 121.7 | -89.2 | 155.5 | -160.7 | -163.4 | 5 | 108 | |||||
| 180 | D | 50 | Low | 44.7 | Very low | 144 Ų | 144 | 124.6 Ų | 124.6 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | cis | 123.6 | 142.9 | 27.7 | -172.8 | 34 | 0 | 0 | 0 | 107.6 | ||||
| 181 | V | 49.9 | Very low | 44.4 | Very low | 132 Ų | 132 | 121.4 Ų | 121.4 | 80% | 0.8 | 79% | 0.794 | S | S | * | * | trans | -82.1 | 172.3 | -162.2 | -78.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 182 | G | 51.3 | Low | 44.2 | Very low | 63 Ų | 63 | 120.3 Ų | 120.3 | 65% | 0.649 | 80% | 0.799 | S | S | * | * | trans | 118.4 | 106.4 | 150.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 183 | D | 57.4 | Low | 44.2 | Very low | 170 Ų | 170 | 117 Ų | 117 | 91% | 0.909 | 80% | 0.796 | S | S | * | * | 91.6 | 145.3 | 79.8 | 96 | -5.6 | 0 | 0 | 0 | 112.8 | |||||
| 184 | G | 38.9 | Very low | 43.9 | Very low | 69 Ų | 69 | 117.8 Ų | 117.8 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | trans | 157.1 | 48 | -179.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 185 | S | 44.4 | Very low | 43.9 | Very low | 111 Ų | 111 | 117.6 Ų | 117.6 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | trans | 34.5 | 122.1 | 143.4 | -59.4 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 186 | S | 47.9 | Very low | 44.5 | Very low | 112 Ų | 112 | 117.7 Ų | 117.7 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | 50.6 | 129.2 | 113 | -48.5 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 187 | T | 38.2 | Very low | 44.3 | Very low | 150 Ų | 150 | 120.8 Ų | 120.8 | 92% | 0.92 | 80% | 0.795 | S | S | * | * | trans | -129.7 | 136.4 | 135.3 | 54.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 188 | S | 41.4 | Very low | 44 | Very low | 100 Ų | 100 | 121.9 Ų | 121.9 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | trans | -111.2 | 161.5 | -152.1 | 41.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 189 | S | 45.2 | Very low | 43.6 | Very low | 106 Ų | 106 | 124.8 Ų | 124.8 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | trans | 66.8 | 141.3 | 136.7 | 57.4 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 190 | T | 37.4 | Very low | 42.7 | Very low | 140 Ų | 140 | 119.9 Ų | 119.9 | 86% | 0.859 | 79% | 0.788 | S | S | * | * | cis | -156.5 | 162.7 | 31.4 | 48.4 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 191 | G | 36.1 | Very low | 42.1 | Very low | 78 Ų | 78 | 121 Ų | 121 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | cis | 167.6 | 135.4 | 31.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 192 | S | 42.9 | Very low | 41.2 | Very low | 130 Ų | 130 | 120.9 Ų | 120.9 | 91% | 0.909 | 78% | 0.783 | S | S | * | * | trans | -73.5 | 148.3 | 172 | -68.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 193 | A | 39.2 | Very low | 40.4 | Very low | 104 Ų | 104 | 125.6 Ų | 125.6 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | 175.6 | 133.6 | 126.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 194 | G | 31.4 | Very low | 39.2 | Very low | 83 Ų | 83 | 122.1 Ų | 122.1 | 86% | 0.856 | 77% | 0.772 | S | S | * | * | trans | 94.2 | 103 | 134 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 195 | S | 38.2 | Very low | 38.8 | Very low | 120 Ų | 120 | 127.1 Ų | 127.1 | 84% | 0.839 | 78% | 0.777 | S | S | * | * | trans | -84.1 | 176.2 | 149.2 | -139.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 196 | P | 58.7 | Low | 38.2 | Very low | 102 Ų | 102 | 131.2 Ų | 131.2 | 66% | 0.662 | 78% | 0.781 | S | S | * | * | cis | -145 | 176.9 | 4.2 | 39.7 | -17.6 | 0 | 0 | 0 | 117.7 | ||||
| 197 | D | 37 | Very low | 38 | Very low | 135 Ų | 135 | 131.4 Ų | 131.4 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | trans | 62.4 | 134.2 | 142.4 | -75.5 | -27.5 | 0 | 0 | 0 | 128.1 | ||||
| 198 | H | 37.7 | Very low | 37.5 | Very low | 151 Ų | 151 | 129 Ų | 129 | 70% | 0.699 | 77% | 0.769 | S | S | * | * | trans | 65.6 | 113.5 | 147.1 | -67.9 | -56.5 | 0 | 0 | 0 | 123.5 | ||||
| 199 | H | 37.5 | Very low | 36.9 | Very low | 182 Ų | 182 | 132.6 Ų | 132.6 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | 172.8 | 129.2 | 106.3 | -89.3 | -25.8 | 0 | 0 | 0 | 115.4 | |||||
| 200 | N | 35.3 | Very low | 36.1 | Very low | 136 Ų | 136 | 134.6 Ų | 134.6 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | trans | 8.8 | 123.2 | 139.8 | -151.3 | 47.6 | 0 | 0 | 0 | 120.9 | ||||
| 201 | H | 37.3 | Very low | 35.7 | Very low | 167 Ų | 167 | 131.8 Ų | 131.8 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | -177.2 | 139.9 | 119.4 | -125.5 | -60.3 | 0 | 0 | 0 | 114.5 | |||||
| 202 | N | 31.6 | Very low | 35.4 | Very low | 130 Ų | 130 | 137.5 Ų | 137.5 | 70% | 0.695 | 77% | 0.765 | S | S | * | * | trans | -39.4 | 150.1 | 163.7 | -65.5 | -16.2 | 0 | 0 | 0 | 115.7 | ||||
| 203 | H | 33.9 | Very low | 35.1 | Very low | 162 Ų | 162 | 139.4 Ų | 139.4 | 75% | 0.75 | 76% | 0.762 | S | S | * | * | 167.2 | 123.3 | 101.7 | -140.8 | -81.2 | 0 | 0 | 0 | 112.5 | |||||
| 204 | V | 32.2 | Very low | 34.9 | Very low | 96 Ų | 96 | 140 Ų | 140 | 58% | 0.582 | 76% | 0.757 | S | S | * | * | trans | 22.1 | 124.9 | 140.7 | -162.1 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 205 | H | 32 | Very low | 35.1 | Very low | 175 Ų | 175 | 141.6 Ų | 141.6 | 81% | 0.81 | 75% | 0.75 | S | S | * | * | 168.2 | 141.8 | 112.3 | -95.4 | -77.4 | 0 | 0 | 0 | 112.8 | |||||
| 206 | K | 30.9 | Very low | 34.9 | Very low | 197 Ų | 197 | 145.1 Ų | 145.1 | 86% | 0.857 | 76% | 0.756 | S | S | * | * | trans | -57.8 | -167.6 | 173 | -69.9 | 178.1 | 167.6 | 178.4 | 0 | 113.7 | ||||
| 207 | P | 44.6 | Very low | 33.8 | Very low | 115 Ų | 115 | 151.2 Ų | 151.2 | 75% | 0.747 | 77% | 0.766 | S | S | * | * | -127.5 | 162 | -60.3 | 35 | -19.7 | 0 | 0 | 0 | 111 | |||||
| 208 | S | 27.6 | Very low | 33.9 | Very low | 101 Ų | 101 | 156.6 Ų | 156.6 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | trans | -174.1 | 133 | 139.7 | -141.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 209 | E | 28.2 | Very low | 33.6 | Very low | 174 Ų | 174 | 155 Ų | 155 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | trans | 44.9 | 112.2 | 134.7 | -71.8 | -179.9 | 151.4 | 0 | 0 | 121.9 | ||||
| 210 | N | 28.3 | Very low | 33.9 | Very low | 148 Ų | 148 | 153.9 Ų | 153.9 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | 85.4 | 138.5 | 112.4 | -149.1 | 49.7 | 0 | 0 | 0 | 118.6 | |||||
| 211 | S | 28.9 | Very low | 34 | Very low | 81 Ų | 81 | 154.4 Ų | 154.4 | 57% | 0.566 | 78% | 0.782 | S | S | * | * | trans | 81.7 | 102.7 | 153.1 | -77.2 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 212 | K | 31.2 | Very low | 34 | Very low | 198 Ų | 198 | 152.3 Ų | 152.3 | 86% | 0.861 | 78% | 0.776 | S | S | * | * | 132.3 | 126.7 | 118.1 | -75.6 | 157.7 | -176 | -178.1 | 0 | 114.7 | |||||
| 213 | M | 36.1 | Very low | 34.3 | Very low | 170 Ų | 170 | 152.7 Ų | 152.7 | 84% | 0.837 | 78% | 0.777 | S | S | * | * | trans | -45.1 | 158.1 | 162.5 | -78.6 | -96.5 | -82.1 | 0 | 0 | 113.7 | ||||
| 214 | P | 35 | Very low | 34.4 | Very low | 118 Ų | 118 | 149.9 Ų | 149.9 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | -132.6 | 124.1 | 125.5 | 32.4 | -18.3 | 0 | 0 | 0 | 113.7 | |||||
| 215 | T | 34.1 | Very low | 34.6 | Very low | 115 Ų | 115 | 150.1 Ų | 150.1 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | trans | -2.6 | 122.2 | 139.7 | -37.7 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 216 | M | 34.3 | Very low | 35.3 | Very low | 195 Ų | 195 | 147.2 Ų | 147.2 | 96% | 0.961 | 79% | 0.785 | S | S | * | * | trans | -118 | 116.7 | 156 | -153.5 | 180 | -102.5 | 0 | 0 | 109.4 | ||||
| 217 | R | 36.3 | Very low | 35.4 | Very low | 229 Ų | 229 | 147.2 Ų | 147.2 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | trans | -77.6 | 142.1 | 173.7 | -81.5 | -175.4 | 165.8 | -173.4 | -2.8 | 110.3 | ||||
| 218 | R | 38.9 | Very low | 35.1 | Very low | 248 Ų | 248 | 149.8 Ų | 149.8 | 94% | 0.936 | 79% | 0.789 | S | S | * | * | trans | -9.4 | 140 | 156.4 | -64 | 175.7 | 168.5 | 162.1 | -4 | 118 | ||||
| 219 | S | 32.4 | Very low | 35.7 | Very low | 118 Ų | 118 | 153.1 Ų | 153.1 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | -160.1 | 138.6 | 109.6 | -151.5 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 220 | M | 43.8 | Very low | 35.9 | Very low | 158 Ų | 158 | 156.4 Ų | 156.4 | 78% | 0.778 | 80% | 0.798 | S | S | * | * | trans | -119.4 | 133.4 | 178.4 | -178.1 | -160 | 104.7 | 0 | 0 | 105.8 | ||||
| 221 | D | 36.2 | Very low | 36.7 | Very low | 148 Ų | 148 | 154.9 Ų | 154.9 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | trans | 175.7 | 146.4 | 163 | -81.6 | -33.9 | 0 | 0 | 0 | 107.2 | ||||
| 222 | D | 37.7 | Very low | 37.3 | Very low | 123 Ų | 123 | 157.5 Ų | 157.5 | 66% | 0.658 | 81% | 0.805 | S | S | * | * | cis | -169.3 | 152.8 | -22.8 | -159.6 | 23.3 | 0 | 0 | 0 | 109.4 | ||||
| 223 | L | 38.8 | Very low | 38 | Very low | 137 Ų | 137 | 154.1 Ų | 154.1 | 72% | 0.717 | 80% | 0.804 | S | S | * | * | trans | 49.2 | 114.8 | 155.2 | -67.6 | 169.4 | 0 | 0 | 0 | 126.9 | ||||
| 224 | S | 35.9 | Very low | 38.3 | Very low | 103 Ų | 103 | 151.6 Ų | 151.6 | 72% | 0.72 | 79% | 0.794 | S | S | * | * | 39.5 | 117.2 | 127.4 | 64.1 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 225 | A | 35.4 | Very low | 39.2 | Very low | 101 Ų | 101 | 149.1 Ų | 149.1 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | 163.6 | 157.8 | 118.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 226 | P | 47.8 | Very low | 40.1 | Very low | 114 Ų | 114 | 150.9 Ų | 150.9 | 74% | 0.74 | 79% | 0.794 | S | S | * | * | trans | -106.1 | 140.9 | -152.6 | 36.9 | -27.7 | 0 | 0 | 0 | 115.3 | ||||
| 227 | H | 33 | Very low | 41.1 | Very low | 198 Ų | 198 | 146.5 Ų | 146.5 | 92% | 0.917 | 77% | 0.774 | S | S | * | * | trans | -148.7 | 133.7 | 159.8 | -107.3 | 16.5 | 0 | 0 | 0 | 113.9 | ||||
| 228 | H | 38.2 | Very low | 42.3 | Very low | 168 Ų | 168 | 140.3 Ų | 140.3 | 78% | 0.778 | 76% | 0.758 | S | S | * | * | trans | -65 | 149.8 | 179.5 | -73.1 | -89.3 | 0 | 0 | 0 | 113.2 | ||||
| 229 | H | 39.5 | Very low | 44 | Very low | 172 Ų | 172 | 132.9 Ų | 132.9 | 80% | 0.796 | 74% | 0.744 | S | S | * | * | trans | 57.9 | 97.6 | 155.7 | -67.3 | -67.1 | 0 | 0 | 0 | 118.8 | ||||
| 230 | R | 33.2 | Very low | 45.7 | Very low | 242 Ų | 242 | 130.4 Ų | 130.4 | 91% | 0.913 | 73% | 0.727 | S | S | * | * | -155.2 | 118.1 | 129.4 | -154.1 | 163.2 | -174.6 | 165.6 | 0.3 | 112.3 | |||||
| 231 | S | 44 | Very low | 47.5 | Very low | 117 Ų | 117 | 124.5 Ų | 124.5 | 82% | 0.818 | 70% | 0.701 | S | S | * | * | trans | -66 | 128.8 | 176.3 | -43.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 232 | I | 41.4 | Very low | 49.7 | Very low | 135 Ų | 135 | 121.4 Ų | 121.4 | 69% | 0.692 | 69% | 0.685 | S | S | * | * | trans | -133.5 | 132.5 | 161.5 | -58.5 | -80.4 | 0 | 0 | 0 | 105.8 | N234 | I232-N234 PolarHBondContact O-N 3.49Š| ||
| 233 | P | 46.3 | Very low | 51.8 | Low | 127 Ų | 127 | 122.5 Ų | 122.5 | 83% | 0.825 | 68% | 0.68 | S | S | * | * | trans | -79.3 | 104.8 | -168.6 | 30.2 | -30.5 | 0 | 0 | 0 | 111.3 | G235 | P233-G235 PolarHBondContact O-N 3.01Š| ||
| 234 | N | 42.2 | Very low | 54.2 | Low | 118 Ų | 118 | 120.2 Ų | 120.2 | 63% | 0.631 | 67% | 0.668 | S | S | * | * | trans | -93.7 | 90.9 | 175.1 | -109.5 | 28.8 | 0 | 0 | 0 | 110.3 | I232 L236 N237 | I232-N234 PolarHBondContact O-N 3.49Å; N234-L236 PolarHBondContact O-N 3.45Å; N234-N237 PolarHBondContact O-N 3.36Å | ||
| 235 | G | 52.8 | Low | 56.8 | Low | 65 Ų | 65 | 122.4 Ų | 122.4 | 67% | 0.67 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.3 | 0.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | P233 | P233-G235 PolarHBondContact O-N 3.01Š|
| 236 | L | 53.6 | Low | 59.4 | Low | 153 Ų | 153 | 124 Ų | 124 | 80% | 0.801 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | -22.9 | 172.7 | -76.4 | 160.7 | 0 | 0 | 0 | 112.8 | N234 | N234-L236 PolarHBondContact O-N 3.45Š|
| 237 | N | 55.5 | Low | 61.4 | Low | 103 Ų | 103 | 122.2 Ų | 122.2 | 55% | 0.551 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -83.8 | -20.1 | -176.5 | -154.1 | 44.8 | 0 | 0 | 0 | 112.6 | N234 S241 | N234-N237 PolarHBondContact O-N 3.36Å; N237-S241 VanDerWaalsContact O-CB 3.25Å; N237-S241 WeakPolarHBondContact O-CB 3.46Å; N237-S241 PolarHBondContact O-N 3.13Å; N237-S241 PolarHBondContact O-OG 3.1Å |
| 238 | D | 62.5 | Low | 64.1 | Low | 99 Ų | 99 | 117.9 Ų | 117.9 | 53% | 0.529 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -71.7 | -35.2 | 179.6 | -76.7 | -35.7 | 0 | 0 | 0 | 112.9 | S241 N242 | D238-S241 PolarHBondContact O-N 3.04Å; D238-N242 VanDerWaalsContact O-CB 3.24Å; D238-N242 WeakPolarHBondContact O-CB 3.29Å; D238-N242 VanDerWaalsContact O-CG 3.28Å; D238-N242 PolarHBondContact O-N 2.78Å; D238-N242 PolarHBondContact O-ND2 2.98Å |
| 239 | S | 73.1 | Confident | 66.7 | Low | 91 Ų | 91 | 113.1 Ų | 113.1 | 64% | 0.636 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -64.6 | -46.3 | 176.4 | -92.2 | 0 | 0 | 0 | 0 | 112 | N242 Y243 | S239-N242 PolarHBondContact O-N 2.89Å; S239-Y243 WeakPolarHBondContact O-CB 3.49Å; S239-Y243 PolarHBondContact O-N 3.49Å |
| 240 | S | 69.6 | Low | 69.1 | Low | 66 Ų | 66 | 111.5 Ų | 111.5 | 46% | 0.462 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -64.7 | -41.7 | 176.2 | -52.5 | 0 | 0 | 0 | 0 | 111.3 | N242 Y243 I244 | S240-N242 PolarHBondContact O-N 3.37Å; S240-Y243 PolarHBondContact O-N 2.83Å; S240-I244 WeakPolarHBondContact O-CB 3.28Å; S240-I244 WeakPolarHBondContact O-CD1 3.41Å; S240-I244 WeakPolarHBondContact O-CG1 3.31Å; S240-I244 PolarHBondContact O-N 2.87Å |
| 241 | S | 80.2 | Confident | 72 | Confident | 35 Ų | 35 | 103.4 Ų | 103.4 | 25% | 0.245 | 57% | 0.566 | C | S | . | * | H | α-helix | trans | -67.8 | -33.8 | 178 | -60 | 0 | 0 | 0 | 0 | 113 | N237 D238 R245 | N237-S241 VanDerWaalsContact O-CB 3.25Å; N237-S241 WeakPolarHBondContact O-CB 3.46Å; N237-S241 PolarHBondContact O-N 3.13Å; N237-S241 PolarHBondContact O-OG 3.1Å; D238-S241 PolarHBondContact O-N 3.04Å; S241-R245 WeakPolarHBondContact O-CB 3.35Å; S241-R245 PolarHBondContact O-N 3.15Å; S241-R245 VanDerWaalsContact O-N 3.16Å |
| 242 | N | 83.4 | Confident | 74.3 | Confident | 83 Ų | 83 | 105 Ų | 105 | 44% | 0.444 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -72.4 | -39 | 173.8 | -80.2 | -56.2 | 0 | 0 | 0 | 111.7 | D238 S239 S240 R245 Q246 | D238-N242 VanDerWaalsContact O-CB 3.24Å; D238-N242 WeakPolarHBondContact O-CB 3.29Å; D238-N242 VanDerWaalsContact O-CG 3.28Å; D238-N242 PolarHBondContact O-N 2.78Å; D238-N242 PolarHBondContact O-ND2 2.98Å; S239-N242 PolarHBondContact O-N 2.89Å; S240-N242 PolarHBondContact O-N 3.37Å; N242-R245 PolarHBondContact O-N 3.28Å; N242-Q246 WeakPolarHBondContact O-CG 3.34Å; N242-Q246 PolarHBondContact O-N 2.87Å |
| 243 | Y | 82.1 | Confident | 76.7 | Confident | 145 Ų | 145 | 102.9 Ų | 102.9 | 57% | 0.569 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64.4 | -43.6 | 175.7 | -175.9 | -112.7 | 0 | 0 | 0 | 111.9 | S239 S240 R245 Q246 L247 | S239-Y243 WeakPolarHBondContact O-CB 3.49Å; S239-Y243 PolarHBondContact O-N 3.49Å; S240-Y243 PolarHBondContact O-N 2.83Å; Y243-R245 VanDerWaalsContact C-N 3.34Å; Y243-R245 PolarHBondContact O-N 3.46Å; Y243-Q246 PolarHBondContact O-N 3.37Å; Y243-L247 HydrophobicContact CD1-CD1 3.94Å; Y243-L247 HydrophobicContact CE1-CD1 3.48Å; Y243-L247 VanDerWaalsContact CE1-CD1 3.48Å; Y243-L247 HydrophobicContact CE1-CG 4.21Å; Y243-L247 HydrophobicContact CE2-CG 4.47Å; Y243-L247 WeakPolarHBondContact O-CG 3.39Å; Y243-L247 PolarHBondContact O-N 3.49Å |
| 244 | I | 89.3 | Confident | 78.8 | Confident | 89 Ų | 89 | 102 Ų | 102 | 46% | 0.456 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -58.5 | -47.1 | 173.8 | -69.1 | 162.4 | 0 | 0 | 0 | 110.4 | S240 Q246 L247 E248 | S240-I244 WeakPolarHBondContact O-CB 3.28Å; S240-I244 WeakPolarHBondContact O-CD1 3.41Å; S240-I244 WeakPolarHBondContact O-CG1 3.31Å; S240-I244 PolarHBondContact O-N 2.87Å; I244-Q246 VanDerWaalsContact C-N 3.32Å; I244-Q246 PolarHBondContact O-N 3.47Å; I244-L247 PolarHBondContact O-N 3.31Å; I244-L247 VanDerWaalsContact O-N 3.14Å; I244-E248 HydrophobicContact CG2-CG 4.39Å; I244-E248 WeakPolarHBondContact O-CG 3.37Å; I244-E248 PolarHBondContact O-N 3.28Å |
| 245 | R | 90.1 | Very high | 81 | Confident | 150 Ų | 150 | 101.6 Ų | 101.6 | 57% | 0.566 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.4 | -35.7 | 178.8 | -139.3 | 177.6 | -57.2 | -143.7 | 2.1 | 113.1 | S241 N242 Y243 T249 | S241-R245 WeakPolarHBondContact O-CB 3.35Å; S241-R245 PolarHBondContact O-N 3.15Å; S241-R245 VanDerWaalsContact O-N 3.16Å; N242-R245 PolarHBondContact O-N 3.28Å; Y243-R245 VanDerWaalsContact C-N 3.34Å; Y243-R245 PolarHBondContact O-N 3.46Å; R245-T249 WeakPolarHBondContact O-CB 3.32Å; R245-T249 PolarHBondContact O-N 2.78Å; R245-T249 PolarHBondContact O-OG1 2.84Å |
| 246 | Q | 89.4 | Confident | 82.6 | Confident | 134 Ų | 134 | 102.3 Ų | 102.3 | 63% | 0.626 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.6 | -41.9 | 173.7 | -79.2 | 179.7 | 18.8 | 0 | 0 | 111.7 | N242 Y243 I244 T249 K250 | N242-Q246 WeakPolarHBondContact O-CG 3.34Å; N242-Q246 PolarHBondContact O-N 2.87Å; Y243-Q246 PolarHBondContact O-N 3.37Å; I244-Q246 VanDerWaalsContact C-N 3.32Å; I244-Q246 PolarHBondContact O-N 3.47Å; Q246-T249 PolarHBondContact O-N 2.96Å; Q246-K250 WeakPolarHBondContact O-CB 3.25Å; Q246-K250 PolarHBondContact O-N 2.9Å |
| 247 | L | 90.4 | Very high | 84.2 | Confident | 76 Ų | 76 | 98.7 Ų | 98.7 | 40% | 0.398 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.5 | -45.5 | 175.7 | -72.2 | 176 | 0 | 0 | 0 | 111.6 | Y243 I244 T249 K250 V251 | Y243-L247 HydrophobicContact CD1-CD1 3.94Å; Y243-L247 HydrophobicContact CE1-CD1 3.48Å; Y243-L247 VanDerWaalsContact CE1-CD1 3.48Å; Y243-L247 HydrophobicContact CE1-CG 4.21Å; Y243-L247 HydrophobicContact CE2-CG 4.47Å; Y243-L247 WeakPolarHBondContact O-CG 3.39Å; Y243-L247 PolarHBondContact O-N 3.49Å; I244-L247 PolarHBondContact O-N 3.31Å; I244-L247 VanDerWaalsContact O-N 3.14Å; L247-T249 VanDerWaalsContact C-N 3.31Å; L247-T249 PolarHBondContact O-N 3.31Å; L247-K250 PolarHBondContact O-N 3.24Å; L247-K250 VanDerWaalsContact O-N 3.17Å; L247-V251 WeakPolarHBondContact O-CG2 3.42Å; L247-V251 PolarHBondContact O-N 3.04Å |
| 248 | E | 90.1 | Very high | 85.5 | Confident | 107 Ų | 107 | 98.2 Ų | 98.2 | 50% | 0.5 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59 | -42.2 | 175.9 | -71.7 | 171.9 | 169 | 0 | 0 | 111.9 | I244 R252 | I244-E248 HydrophobicContact CG2-CG 4.39Å; I244-E248 WeakPolarHBondContact O-CG 3.37Å; I244-E248 PolarHBondContact O-N 3.28Å; E248-R252 WeakPolarHBondContact O-CB 3.45Å; E248-R252 PolarHBondContact O-N 2.99Å |
| 249 | T | 91.8 | Very high | 86.6 | Confident | 68 Ų | 68 | 98 Ų | 98 | 42% | 0.417 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.8 | -41.2 | 176.8 | -56.1 | 0 | 0 | 0 | 0 | 111.1 | R245 Q246 L247 R252 I253 | R245-T249 WeakPolarHBondContact O-CB 3.32Å; R245-T249 PolarHBondContact O-N 2.78Å; R245-T249 PolarHBondContact O-OG1 2.84Å; Q246-T249 PolarHBondContact O-N 2.96Å; L247-T249 VanDerWaalsContact C-N 3.31Å; L247-T249 PolarHBondContact O-N 3.31Å; T249-R252 PolarHBondContact O-N 2.98Å; T249-I253 HydrophobicContact CG2-CD1 4.04Å; T249-I253 VanDerWaalsContact O-CG1 3.28Å; T249-I253 WeakPolarHBondContact O-CG1 3.45Å; T249-I253 PolarHBondContact O-N 3.41Å |
| 250 | K | 91.1 | Very high | 87 | Confident | 138 Ų | 138 | 100.1 Ų | 100.1 | 60% | 0.6 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -68 | -40.2 | 179.1 | -167.4 | 174.9 | -177.6 | 179.5 | 0 | 112.1 | Q246 L247 I253 L254 | Q246-K250 WeakPolarHBondContact O-CB 3.25Å; Q246-K250 PolarHBondContact O-N 2.9Å; L247-K250 PolarHBondContact O-N 3.24Å; L247-K250 VanDerWaalsContact O-N 3.17Å; K250-I253 PolarHBondContact O-N 2.66Å; K250-L254 HydrophobicContact CG-CD1 4.38Å; K250-L254 VanDerWaalsContact O-CG 3.28Å; K250-L254 WeakPolarHBondContact O-CG 3.39Å; K250-L254 PolarHBondContact O-N 2.98Å |
| 251 | V | 92.9 | Very high | 87.2 | Confident | 73 Ų | 73 | 102.2 Ų | 102.2 | 44% | 0.442 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.8 | -47.3 | 173.4 | 169 | 0 | 0 | 0 | 0 | 110.1 | L247 I253 L254 E255 | L247-V251 WeakPolarHBondContact O-CG2 3.42Å; L247-V251 PolarHBondContact O-N 3.04Å; V251-I253 VanDerWaalsContact C-N 3.34Å; V251-I253 PolarHBondContact O-N 2.65Å; V251-L254 PolarHBondContact O-N 2.84Å; V251-L254 VanDerWaalsContact O-N 3.13Å; V251-E255 HydrophobicContact CG1-CG 4.19Å; V251-E255 WeakPolarHBondContact O-CB 3.42Å; V251-E255 WeakPolarHBondContact O-CG 3.4Å; V251-E255 PolarHBondContact O-N 3.17Å |
| 252 | R | 93.3 | Very high | 86.8 | Confident | 150 Ų | 150 | 105.2 Ų | 105.2 | 57% | 0.566 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -58 | -43.9 | 177.6 | -171.9 | -177.9 | -60.3 | 159.4 | 4 | 112.7 | E248 T249 E255 D256 | E248-R252 WeakPolarHBondContact O-CB 3.45Å; E248-R252 PolarHBondContact O-N 2.99Å; T249-R252 PolarHBondContact O-N 2.98Å; R252-E255 PolarHBondContact O-N 3.23Å; R252-D256 WeakPolarHBondContact O-CB 3.34Å; R252-D256 PolarHBondContact O-N 3.29Å |
| 253 | I | 91.4 | Very high | 86.2 | Confident | 91 Ų | 91 | 104.5 Ų | 104.5 | 47% | 0.467 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.1 | -44.1 | 176.9 | -67.9 | 164.5 | 0 | 0 | 0 | 110.7 | T249 K250 V251 E255 D256 D257 | T249-I253 HydrophobicContact CG2-CD1 4.04Å; T249-I253 VanDerWaalsContact O-CG1 3.28Å; T249-I253 WeakPolarHBondContact O-CG1 3.45Å; T249-I253 PolarHBondContact O-N 3.41Å; K250-I253 PolarHBondContact O-N 2.66Å; V251-I253 VanDerWaalsContact C-N 3.34Å; V251-I253 PolarHBondContact O-N 2.65Å; I253-E255 VanDerWaalsContact C-N 3.34Å; I253-E255 PolarHBondContact O-N 3.4Å; I253-D256 PolarHBondContact O-N 3.42Å; I253-D257 WeakPolarHBondContact O-CB 3.12Å; I253-D257 PolarHBondContact O-N 2.88Å |
| 254 | L | 89.7 | Confident | 85.2 | Confident | 107 Ų | 107 | 103.4 Ų | 103.4 | 56% | 0.56 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.9 | -36.8 | 178.5 | -71.1 | 171.1 | 0 | 0 | 0 | 112.3 | K250 V251 N258 | K250-L254 HydrophobicContact CG-CD1 4.38Å; K250-L254 VanDerWaalsContact O-CG 3.28Å; K250-L254 WeakPolarHBondContact O-CG 3.39Å; K250-L254 PolarHBondContact O-N 2.98Å; V251-L254 PolarHBondContact O-N 2.84Å; V251-L254 VanDerWaalsContact O-N 3.13Å; L254-N258 VanDerWaalsContact O-CB 3.25Å; L254-N258 WeakPolarHBondContact O-CB 2.97Å; L254-N258 PolarHBondContact O-N 3.06Å |
| 255 | E | 88.3 | Confident | 83.6 | Confident | 111 Ų | 111 | 101.1 Ų | 101.1 | 52% | 0.519 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.7 | -42.6 | 174.5 | -73 | 174.3 | 160.8 | 0 | 0 | 111.7 | V251 R252 I253 N258 N259 | V251-E255 HydrophobicContact CG1-CG 4.19Å; V251-E255 WeakPolarHBondContact O-CB 3.42Å; V251-E255 WeakPolarHBondContact O-CG 3.4Å; V251-E255 PolarHBondContact O-N 3.17Å; R252-E255 PolarHBondContact O-N 3.23Å; I253-E255 VanDerWaalsContact C-N 3.34Å; I253-E255 PolarHBondContact O-N 3.4Å; E255-N258 PolarHBondContact O-N 2.93Å; E255-N259 WeakPolarHBondContact O-CB 3.44Å; E255-N259 PolarHBondContact O-N 3Å; E255-N259 PolarHBondContact O-ND2 3.4Å |
| 256 | D | 87.9 | Confident | 81.8 | Confident | 80 Ų | 80 | 101.2 Ų | 101.2 | 43% | 0.428 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.2 | -42.3 | 175.4 | -78.1 | -16.6 | 0 | 0 | 0 | 111.6 | R252 I253 N259 K260 | R252-D256 WeakPolarHBondContact O-CB 3.34Å; R252-D256 PolarHBondContact O-N 3.29Å; I253-D256 PolarHBondContact O-N 3.42Å; D256-N259 PolarHBondContact O-N 3.46Å; D256-K260 WeakPolarHBondContact O-CB 3.42Å; D256-K260 VanDerWaalsContact O-CG 3.28Å; D256-K260 WeakPolarHBondContact O-CG 3.44Å; D256-K260 PolarHBondContact O-N 2.92Å |
| 257 | D | 86.3 | Confident | 79.9 | Confident | 76 Ų | 76 | 100.4 Ų | 100.4 | 41% | 0.406 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.7 | -39.4 | 177.3 | -74.1 | -15.2 | 0 | 0 | 0 | 111.7 | I253 K260 L261 | I253-D257 WeakPolarHBondContact O-CB 3.12Å; I253-D257 PolarHBondContact O-N 2.88Å; D257-K260 PolarHBondContact O-N 3.21Å; D257-K260 IonicContact OD1-NZ 2.83Å; D257-L261 WeakPolarHBondContact O-CG 3.45Å; D257-L261 PolarHBondContact O-N 2.91Å |
| 258 | N | 82.5 | Confident | 78 | Confident | 94 Ų | 94 | 106 Ų | 106 | 50% | 0.503 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.6 | -41.7 | 174.4 | -163.8 | 14.3 | 0 | 0 | 0 | 111.6 | L254 E255 K260 L261 L262 | L254-N258 VanDerWaalsContact O-CB 3.25Å; L254-N258 WeakPolarHBondContact O-CB 2.97Å; L254-N258 PolarHBondContact O-N 3.06Å; E255-N258 PolarHBondContact O-N 2.93Å; N258-K260 PolarHBondContact O-N 3.2Å; N258-L261 PolarHBondContact O-N 3.42Å; N258-L262 WeakPolarHBondContact O-CG 3.45Å; N258-L262 PolarHBondContact O-N 3.27Å |
| 259 | N | 85.1 | Confident | 75.7 | Confident | 94 Ų | 94 | 109.9 Ų | 109.9 | 50% | 0.503 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.8 | -37 | 174.7 | -80.5 | -34.7 | 0 | 0 | 0 | 112.6 | E255 D256 S263 | E255-N259 WeakPolarHBondContact O-CB 3.44Å; E255-N259 PolarHBondContact O-N 3Å; E255-N259 PolarHBondContact O-ND2 3.4Å; D256-N259 PolarHBondContact O-N 3.46Å; N259-S263 VanDerWaalsContact O-CB 3.28Å; N259-S263 WeakPolarHBondContact O-CB 3.5Å; N259-S263 PolarHBondContact O-N 3.22Å; N259-S263 PolarHBondContact O-OG 3.01Å |
| 260 | K | 81.9 | Confident | 73.3 | Confident | 135 Ų | 135 | 110.3 Ų | 110.3 | 59% | 0.587 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64.9 | -42.7 | 172.8 | -76.1 | 170.5 | -170.5 | 165 | 0 | 111.8 | D256 D257 N258 S263 Q264 | D256-K260 WeakPolarHBondContact O-CB 3.42Å; D256-K260 VanDerWaalsContact O-CG 3.28Å; D256-K260 WeakPolarHBondContact O-CG 3.44Å; D256-K260 PolarHBondContact O-N 2.92Å; D257-K260 PolarHBondContact O-N 3.21Å; D257-K260 IonicContact OD1-NZ 2.83Å; N258-K260 PolarHBondContact O-N 3.2Å; K260-S263 PolarHBondContact O-N 2.75Å; K260-Q264 WeakPolarHBondContact O-CB 3.4Å; K260-Q264 PolarHBondContact O-N 3.43Å |
| 261 | L | 73.8 | Confident | 70.9 | Confident | 111 Ų | 111 | 110.3 Ų | 110.3 | 58% | 0.581 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.5 | -42.6 | 176.8 | -71.6 | 171.9 | 0 | 0 | 0 | 111.9 | D257 N258 Q264 A265 | D257-L261 WeakPolarHBondContact O-CG 3.45Å; D257-L261 PolarHBondContact O-N 2.91Å; N258-L261 PolarHBondContact O-N 3.42Å; L261-Q264 PolarHBondContact O-N 3.4Å; L261-A265 PolarHBondContact O-N 2.89Å |
| 262 | L | 71.4 | Confident | 68.5 | Low | 97 Ų | 97 | 110.4 Ų | 110.4 | 51% | 0.508 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66.1 | -38.9 | 175.8 | -71 | 169 | 0 | 0 | 0 | 112.4 | N258 A265 H266 | N258-L262 WeakPolarHBondContact O-CG 3.45Å; N258-L262 PolarHBondContact O-N 3.27Å; L262-A265 WeakPolarHBondContact O-CB 3.43Å; L262-A265 PolarHBondContact O-N 2.84Å; L262-H266 PolarHBondContact O-N 3.36Å; L262-H266 VanDerWaalsContact O-N 3.1Å |
| 263 | S | 70.7 | Confident | 65.8 | Low | 68 Ų | 68 | 111.5 Ų | 111.5 | 48% | 0.476 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -69.6 | -34.4 | 176.4 | -59.4 | 0 | 0 | 0 | 0 | 112.4 | N259 K260 A265 H266 N267 | N259-S263 VanDerWaalsContact O-CB 3.28Å; N259-S263 WeakPolarHBondContact O-CB 3.5Å; N259-S263 PolarHBondContact O-N 3.22Å; N259-S263 PolarHBondContact O-OG 3.01Å; K260-S263 PolarHBondContact O-N 2.75Å; S263-A265 VanDerWaalsContact C-N 3.33Å; S263-H266 PolarHBondContact O-N 2.96Å; S263-N267 PolarHBondContact O-N 2.93Å; S263-N267 PolarHBondContact O-ND2 2.88Å |
| 264 | Q | 61.8 | Low | 63.4 | Low | 122 Ų | 122 | 113.8 Ų | 113.8 | 57% | 0.57 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -70.9 | -30.7 | 175.1 | -157.3 | 178.6 | 37 | 0 | 0 | 111.8 | K260 L261 R268 | K260-Q264 WeakPolarHBondContact O-CB 3.4Å; K260-Q264 PolarHBondContact O-N 3.43Å; L261-Q264 PolarHBondContact O-N 3.4Å; Q264-R268 PolarHBondContact O-N 3.5Å |
| 265 | A | 55.8 | Low | 60.9 | Low | 42 Ų | 42 | 117.3 Ų | 117.3 | 35% | 0.347 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -67.6 | -44.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L261 L262 S263 N267 R268 Y269 | L261-A265 PolarHBondContact O-N 2.89Å; L262-A265 WeakPolarHBondContact O-CB 3.43Å; L262-A265 PolarHBondContact O-N 2.84Å; S263-A265 VanDerWaalsContact C-N 3.33Å; A265-N267 PolarHBondContact O-N 3.48Å; A265-R268 PolarHBondContact O-N 3.14Å; A265-Y269 WeakPolarHBondContact O-CD2 3.2Å; A265-Y269 PolarHBondContact O-N 3.4Å |
| 266 | H | 52.3 | Low | 58.5 | Low | 151 Ų | 151 | 120.3 Ų | 120.3 | 70% | 0.699 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -62.7 | -37 | 178.7 | -99.3 | 72.7 | 0 | 0 | 0 | 113.7 | L262 S263 R268 Y269 S270 | L262-H266 PolarHBondContact O-N 3.36Å; L262-H266 VanDerWaalsContact O-N 3.1Å; S263-H266 PolarHBondContact O-N 2.96Å; H266-R268 VanDerWaalsContact C-N 3.32Å; H266-R268 PolarHBondContact O-N 3.25Å; H266-Y269 PolarHBondContact O-N 3.25Å; H266-S270 PolarHBondContact O-N 2.88Å |
| 267 | N | 49.8 | Very low | 56.2 | Low | 117 Ų | 117 | 126.2 Ų | 126.2 | 63% | 0.626 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -69.6 | -26.5 | 177.2 | -78.4 | -70.1 | 0 | 0 | 0 | 113.4 | S263 A265 | S263-N267 PolarHBondContact O-N 2.93Å; S263-N267 PolarHBondContact O-ND2 2.88Å; A265-N267 PolarHBondContact O-N 3.48Å |
| 268 | R | 49.6 | Very low | 53.9 | Low | 193 Ų | 193 | 131.5 Ų | 131.5 | 73% | 0.728 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -77.4 | -25.6 | 175.2 | -77.2 | -151.6 | -89.9 | 178.5 | -8.8 | 113.9 | Q264 A265 H266 | Q264-R268 PolarHBondContact O-N 3.5Å; A265-R268 PolarHBondContact O-N 3.14Å; H266-R268 VanDerWaalsContact C-N 3.32Å; H266-R268 PolarHBondContact O-N 3.25Å |
| 269 | Y | 42.8 | Very low | 51.6 | Low | 189 Ų | 189 | 135.5 Ų | 135.5 | 74% | 0.741 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -85.5 | -21.3 | 176 | -80.1 | -80.8 | 0 | 0 | 0 | 113.8 | A265 H266 S272 | A265-Y269 WeakPolarHBondContact O-CD2 3.2Å; A265-Y269 PolarHBondContact O-N 3.4Å; H266-Y269 PolarHBondContact O-N 3.25Å; Y269-S272 PolarHBondContact O-OG 3.45Å; Y269-S272 VanDerWaalsContact O-OG 3.12Å |
| 270 | S | 41.7 | Very low | 48.9 | Very low | 78 Ų | 78 | 137.6 Ų | 137.6 | 55% | 0.545 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -78.2 | -30.8 | 179.1 | -165.8 | 0 | 0 | 0 | 0 | 113.2 | H266 S272 | H266-S270 PolarHBondContact O-N 2.88Å; S270-S272 PolarHBondContact O-N 3.25Å |
| 271 | L | 39.8 | Very low | 46.5 | Very low | 138 Ų | 138 | 139 Ų | 139 | 72% | 0.723 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -77.9 | -19.1 | -177.8 | -136.7 | 81 | 0 | 0 | 0 | 114.2 | ||
| 272 | S | 42.7 | Very low | 44.6 | Very low | 75 Ų | 75 | 139.7 Ų | 139.7 | 52% | 0.524 | 71% | 0.708 | S | S | . | * | G | 310 helix | trans | -80.6 | -13.4 | -179.2 | 56.5 | 0 | 0 | 0 | 0 | 113.8 | Y269 S270 | Y269-S272 PolarHBondContact O-OG 3.45Å; Y269-S272 VanDerWaalsContact O-OG 3.12Å; S270-S272 PolarHBondContact O-N 3.25Å |
| 273 | Q | 37.2 | Very low | 43.1 | Very low | 172 Ų | 172 | 138.2 Ų | 138.2 | 80% | 0.804 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -83.6 | -13.1 | 177.5 | -103.9 | 179.7 | 13 | 0 | 0 | 114.5 | ||
| 274 | I | 40.5 | Very low | 41.4 | Very low | 140 Ų | 140 | 142.2 Ų | 142.2 | 72% | 0.718 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -90.8 | -11.5 | -173.6 | -64.7 | 174.8 | 0 | 0 | 0 | 113 | ||
| 275 | Q | 37.1 | Very low | 40.1 | Very low | 180 Ų | 180 | 145 Ų | 145 | 84% | 0.841 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -101.8 | -4.8 | -176.7 | -94.8 | -179.3 | -16.8 | 0 | 0 | 116.9 | ||
| 276 | M | 37 | Very low | 39.4 | Very low | 175 Ų | 175 | 154.7 Ų | 154.7 | 86% | 0.862 | 78% | 0.778 | S | S | * | * | trans | -100.5 | 25.4 | -174.3 | -69.4 | -65.9 | -176.4 | 0 | 0 | 115.1 | ||||
| 277 | K | 41 | Very low | 38.5 | Very low | 204 Ų | 204 | 151.7 Ų | 151.7 | 89% | 0.887 | 78% | 0.78 | S | S | * | * | trans | -115.1 | 67.3 | 175.9 | -149.8 | 174.8 | -172.6 | 176.9 | 0 | 111.8 | ||||
| 278 | K | 37.5 | Very low | 37.7 | Very low | 187 Ų | 187 | 154.7 Ų | 154.7 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -155.9 | 114.6 | 156.4 | -128.9 | 174.7 | -178.6 | 179.1 | 0 | 112.2 | ||
| 279 | Q | 34.9 | Very low | 36.9 | Very low | 177 Ų | 177 | 156.7 Ų | 156.7 | 83% | 0.827 | 80% | 0.802 | S | S | * | * | trans | 62.8 | 106.1 | 158.6 | -68.4 | 177.5 | 7.4 | 0 | 0 | 119.1 | ||||
| 280 | C | 28 | Very low | 36.6 | Very low | 138 Ų | 138 | 157.9 Ų | 157.9 | 93% | 0.932 | 81% | 0.811 | S | S | * | * | -161.8 | 135.4 | 127.5 | -105.9 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 281 | N | 30.9 | Very low | 36 | Very low | 164 Ų | 164 | 157.4 Ų | 157.4 | 88% | 0.877 | 82% | 0.818 | S | S | * | * | trans | -82.3 | 148.4 | -173.3 | -135.5 | 12.5 | 0 | 0 | 0 | 111 | ||||
| 282 | P | 34.8 | Very low | 35.5 | Very low | 126 Ų | 126 | 159.5 Ų | 159.5 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | trans | -96.2 | 111 | -178.4 | 34.6 | -25.5 | 0 | 0 | 0 | 110.5 | ||||
| 283 | G | 38.8 | Very low | 34.9 | Very low | 67 Ų | 67 | 161.5 Ų | 161.5 | 69% | 0.691 | 84% | 0.836 | S | S | * | * | trans | -176.9 | 63.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 284 | D | 35.3 | Very low | 34.6 | Very low | 151 Ų | 151 | 160.7 Ų | 160.7 | 81% | 0.807 | 84% | 0.836 | S | S | * | * | trans | -177.6 | 91.1 | 144.2 | -114.5 | -21.5 | 0 | 0 | 0 | 111.5 | ||||
| 285 | L | 34.8 | Very low | 34.1 | Very low | 182 Ų | 182 | 164.8 Ų | 164.8 | 95% | 0.953 | 84% | 0.844 | S | S | * | * | trans | -145.3 | 67.9 | 156.2 | -75.7 | -178 | 0 | 0 | 0 | 108.7 | ||||
| 286 | R | 40.7 | Very low | 33.8 | Very low | 244 Ų | 244 | 162.9 Ų | 162.9 | 92% | 0.921 | 84% | 0.835 | S | S | * | * | trans | -116.3 | 82.1 | 157.3 | -75.8 | -171.1 | -148.3 | -139.5 | 2.4 | 109.1 | ||||
| 287 | A | 34.2 | Very low | 33.4 | Very low | 89 Ų | 89 | 160.7 Ų | 160.7 | 74% | 0.736 | 84% | 0.837 | S | S | * | * | trans | -176.3 | 92.8 | 154.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 288 | L | 32.3 | Very low | 32.9 | Very low | 180 Ų | 180 | 158.3 Ų | 158.3 | 94% | 0.942 | 83% | 0.829 | S | S | * | * | 176.1 | 94.6 | 120.9 | -117.4 | 77.3 | 0 | 0 | 0 | 108.3 | |||||
| 289 | R | 34 | Very low | 32.5 | Very low | 235 Ų | 235 | 154.5 Ų | 154.5 | 89% | 0.887 | 83% | 0.826 | S | S | * | * | trans | -113.8 | 116.2 | 159.6 | 175.2 | -171.6 | -79.6 | -149.3 | -2.1 | 105.4 | ||||
| 290 | K | 35 | Very low | 32.3 | Very low | 214 Ų | 214 | 153.6 Ų | 153.6 | 93% | 0.93 | 82% | 0.822 | S | S | * | * | trans | 171.2 | 133.7 | 140.5 | -94.7 | 163.6 | -176.2 | -172.5 | 0 | 112.7 | ||||
| 291 | G | 29.9 | Very low | 32.2 | Very low | 67 Ų | 67 | 153.8 Ų | 153.8 | 69% | 0.691 | 81% | 0.813 | S | S | * | * | trans | 118.7 | 76.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 292 | M | 28.5 | Very low | 32.2 | Very low | 183 Ų | 183 | 150.7 Ų | 150.7 | 90% | 0.901 | 80% | 0.804 | S | S | * | * | 55.2 | 122.5 | 86.8 | -64.5 | -159.9 | 74 | 0 | 0 | 112.2 | |||||
| 293 | T | 31.4 | Very low | 31.9 | Very low | 116 Ų | 116 | 150.3 Ų | 150.3 | 71% | 0.712 | 80% | 0.804 | S | S | * | * | cis | -157.3 | 133.8 | 25.8 | 46.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 294 | L | 30.3 | Very low | 31.5 | Very low | 156 Ų | 156 | 154.2 Ų | 154.2 | 82% | 0.817 | 81% | 0.809 | S | S | * | * | trans | -106.4 | 118 | 164.5 | -169.3 | 79.6 | 0 | 0 | 0 | 107.7 | H296 | L294-H296 PolarHBondContact O-N 2.92Š| ||
| 295 | Y | 30.6 | Very low | 31.7 | Very low | 226 Ų | 226 | 152.9 Ų | 152.9 | 89% | 0.886 | 81% | 0.808 | S | S | * | * | trans | -72.8 | 124.1 | 167.6 | -106.3 | -93.6 | 0 | 0 | 0 | 108.8 | ||||
| 296 | H | 29.9 | Very low | 31.9 | Very low | 139 Ų | 139 | 152.6 Ų | 152.6 | 64% | 0.644 | 80% | 0.802 | S | S | * | * | trans | -99 | 143.2 | 177.2 | -131.5 | 31.9 | 0 | 0 | 0 | 108.7 | L294 | L294-H296 PolarHBondContact O-N 2.92Š| ||
| 297 | S | 29.4 | Very low | 31.2 | Very low | 129 Ų | 129 | 151.4 Ų | 151.4 | 90% | 0.902 | 80% | 0.798 | S | S | * | * | trans | -147 | 85.6 | 153.3 | -67.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 298 | E | 30.2 | Very low | 30.8 | Very low | 154 Ų | 154 | 155.3 Ų | 155.3 | 72% | 0.72 | 80% | 0.801 | S | S | * | * | trans | -91 | 139.6 | 162 | -79 | -102.9 | 132 | 0 | 0 | 108.7 | ||||
| 299 | S | 29.2 | Very low | 30.5 | Very low | 108 Ų | 108 | 154.9 Ų | 154.9 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | trans | -160.4 | 130.2 | 156.8 | -85.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 300 | Q | 29.2 | Very low | 30.2 | Very low | 158 Ų | 158 | 147.9 Ų | 147.9 | 74% | 0.738 | 79% | 0.786 | S | S | * | * | cis | -159.4 | 137.2 | -10.2 | -86 | -154.8 | 1.1 | 0 | 0 | 107.5 | ||||
| 301 | L | 26.8 | Very low | 29.9 | Very low | 141 Ų | 141 | 145.4 Ų | 145.4 | 74% | 0.738 | 78% | 0.78 | S | S | * | * | trans | 66.6 | 109 | 135.2 | -56.6 | 173.8 | 0 | 0 | 0 | 122.3 | ||||
| 302 | S | 30.7 | Very low | 29.8 | Very low | 99 Ų | 99 | 149.7 Ų | 149.7 | 69% | 0.692 | 78% | 0.781 | S | S | * | * | trans | -19 | 141.2 | 132 | 50.2 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 303 | S | 28.4 | Very low | 29.7 | Very low | 118 Ų | 118 | 149.7 Ų | 149.7 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | 160.7 | 137.6 | 105.3 | 51.1 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 304 | L | 31.4 | Very low | 29.6 | Very low | 150 Ų | 150 | 146.9 Ų | 146.9 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | trans | -65.7 | 160.6 | 170 | -150 | 83.2 | 0 | 0 | 0 | 110.4 | ||||
| 305 | P | 38.8 | Very low | 29.5 | Very low | 122 Ų | 122 | 145.4 Ų | 145.4 | 79% | 0.792 | 77% | 0.773 | S | S | * | * | -150.5 | 158.5 | 86.1 | 35.8 | -15.6 | 0 | 0 | 0 | 116.9 | |||||
| 306 | Q | 38.7 | Very low | 29.3 | Very low | 177 Ų | 177 | 142.3 Ų | 142.3 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | trans | -62.2 | 133.6 | 163.9 | -179.9 | 161.1 | -1.3 | 0 | 0 | 112.4 | ||||
| 307 | R | 25.9 | Very low | 29.4 | Very low | 219 Ų | 219 | 147.1 Ų | 147.1 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | trans | -152.6 | 130.4 | 157.6 | -140.7 | -174.1 | -159.7 | -108.4 | 5.7 | 112.5 | E309 | R307-E309 IonicContact NH1-OE2 2.66Š| ||
| 308 | Q | 27.1 | Very low | 29.4 | Very low | 171 Ų | 171 | 148.6 Ų | 148.6 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | trans | -86.9 | 140.5 | 167.2 | 179.3 | 164.3 | 6.1 | 0 | 0 | 108.6 | ||||
| 309 | E | 24.2 | Very low | 30.2 | Very low | 171 Ų | 171 | 145.6 Ų | 145.6 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | trans | 171.8 | 141.8 | 133.5 | -96.6 | 170.4 | 168.8 | 0 | 0 | 112.9 | R307 | R307-E309 IonicContact NH1-OE2 2.66Š| ||
| 310 | A | 27.8 | Very low | 30.1 | Very low | 87 Ų | 87 | 146.5 Ų | 146.5 | 72% | 0.719 | 78% | 0.776 | S | S | * | * | trans | -77.1 | 163.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 311 | M | 28.7 | Very low | 30.1 | Very low | 163 Ų | 163 | 143.7 Ų | 143.7 | 80% | 0.803 | 77% | 0.774 | S | S | * | * | 171.8 | 126.3 | 115.8 | -79.4 | -128.9 | 177.7 | 0 | 0 | 112.8 | |||||
| 312 | H | 29.3 | Very low | 30.2 | Very low | 157 Ų | 157 | 145.8 Ų | 145.8 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | 62.7 | 123.1 | 134.3 | -70.5 | 96.5 | 0 | 0 | 0 | 123.4 | ||||
| 313 | M | 26 | Very low | 30.2 | Very low | 182 Ų | 182 | 146.8 Ų | 146.8 | 90% | 0.897 | 79% | 0.787 | S | S | * | * | 168.3 | 135.2 | 105.5 | -82.5 | -67.6 | -85.8 | 0 | 0 | 107.6 | |||||
| 314 | G | 28.9 | Very low | 30.4 | Very low | 58 Ų | 58 | 146.6 Ų | 146.6 | 60% | 0.598 | 79% | 0.786 | S | S | * | * | cis | -178.5 | 143.4 | -3.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 315 | T | 28.7 | Very low | 31.5 | Very low | 125 Ų | 125 | 145.5 Ų | 145.5 | 77% | 0.767 | 79% | 0.788 | S | S | * | * | trans | 69.4 | 107.6 | 140.3 | -20.9 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 316 | N | 27.1 | Very low | 31.1 | Very low | 161 Ų | 161 | 144.5 Ų | 144.5 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | -166.8 | 147 | 107.3 | -92 | -6.2 | 0 | 0 | 0 | 112.7 | |||||
| 317 | R | 30.6 | Very low | 31 | Very low | 239 Ų | 239 | 142.7 Ų | 142.7 | 90% | 0.902 | 79% | 0.791 | S | S | * | * | trans | -77.4 | 146.3 | -162.2 | -74.6 | 174.7 | 168.7 | -147.4 | -1.6 | 116.2 | ||||
| 318 | L | 29.5 | Very low | 31.3 | Very low | 161 Ų | 161 | 135.8 Ų | 135.8 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | trans | -0.9 | 165.3 | 136 | -115.2 | 73.2 | 0 | 0 | 0 | 119.8 | ||||
| 319 | P | 46.3 | Very low | 32.1 | Very low | 90 Ų | 90 | 138.3 Ų | 138.3 | 58% | 0.584 | 79% | 0.792 | S | S | * | * | cis | -148.8 | 173.6 | 15.7 | 37.1 | -13.6 | 0 | 0 | 0 | 121.4 | ||||
| 320 | T | 27.2 | Very low | 32.7 | Very low | 127 Ų | 127 | 138.4 Ų | 138.4 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | trans | 65 | 147.1 | 145.7 | 50.7 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 321 | S | 30.4 | Very low | 33 | Very low | 100 Ų | 100 | 139 Ų | 139 | 70% | 0.699 | 80% | 0.796 | S | S | * | * | cis | -173.1 | 151.7 | -5.3 | -93.5 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 322 | E | 29 | Very low | 33.7 | Very low | 185 Ų | 185 | 137 Ų | 137 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | trans | 63.3 | 144.7 | 151 | -65.6 | -164.5 | 159.3 | 0 | 0 | 124 | ||||
| 323 | S | 30.6 | Very low | 34.7 | Very low | 120 Ų | 120 | 136.7 Ų | 136.7 | 84% | 0.839 | 80% | 0.8 | S | S | * | * | trans | 93 | 119.6 | 157.1 | 73.9 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 324 | S | 31.5 | Very low | 35.7 | Very low | 114 Ų | 114 | 136.5 Ų | 136.5 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | trans | -76.3 | -173.7 | 162.1 | -51.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 325 | P | 54.8 | Low | 36.9 | Very low | 126 Ų | 126 | 140.3 Ų | 140.3 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | -120.3 | 158.1 | -64.3 | 33.5 | -18.6 | 0 | 0 | 0 | 110.7 | |||||
| 326 | A | 30.2 | Very low | 38.7 | Very low | 102 Ų | 102 | 138.5 Ų | 138.5 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | trans | -151.8 | 130.2 | 164.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 327 | T | 37.5 | Very low | 40.5 | Very low | 138 Ų | 138 | 138 Ų | 138 | 85% | 0.847 | 78% | 0.78 | S | S | * | * | trans | -34.6 | 129.5 | 166.7 | -47.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 328 | G | 31.5 | Very low | 42.3 | Very low | 74 Ų | 74 | 130 Ų | 130 | 76% | 0.763 | 77% | 0.765 | S | S | * | * | trans | -150.2 | 96.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110 | L330 | G328-L330 PolarHBondContact O-N 3.4Š| ||
| 329 | Y | 44.1 | Very low | 44.2 | Very low | 224 Ų | 224 | 125.2 Ų | 125.2 | 88% | 0.878 | 74% | 0.742 | S | S | * | * | trans | -55.4 | 129.5 | 159.9 | -92.7 | -106 | 0 | 0 | 0 | 108.5 | ||||
| 330 | L | 37.3 | Very low | 45.6 | Very low | 174 Ų | 174 | 124.7 Ų | 124.7 | 91% | 0.911 | 74% | 0.737 | S | S | * | * | trans | -174 | 128.6 | 138.1 | -96.2 | 171.3 | 0 | 0 | 0 | 111.9 | G328 | G328-L330 PolarHBondContact O-N 3.4Š| ||
| 331 | S | 34.4 | Very low | 47.8 | Very low | 99 Ų | 99 | 123.9 Ų | 123.9 | 69% | 0.692 | 73% | 0.725 | S | S | * | * | trans | 82.4 | 81.8 | 150.9 | -143.2 | 0 | 0 | 0 | 0 | 121 | ||||
| 332 | S | 42.6 | Very low | 49.7 | Very low | 122 Ų | 122 | 121.4 Ų | 121.4 | 85% | 0.853 | 71% | 0.71 | S | S | * | * | trans | -74.9 | 104.8 | 156.3 | 175.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 333 | I | 50.7 | Low | 51.9 | Low | 149 Ų | 149 | 117.1 Ų | 117.1 | 76% | 0.764 | 69% | 0.691 | S | S | * | * | trans | -134.4 | -0.8 | 167.6 | -73.8 | -176.6 | 0 | 0 | 0 | 113.6 | ||||
| 334 | Q | 47.3 | Very low | 54 | Low | 179 Ų | 179 | 118 Ų | 118 | 84% | 0.836 | 68% | 0.68 | S | S | * | * | trans | -115.5 | 108.4 | 175.2 | -77.2 | -179.8 | -26.5 | 0 | 0 | 110.6 | ||||
| 335 | K | 53.1 | Low | 56.1 | Low | 138 Ų | 138 | 116.2 Ų | 116.2 | 60% | 0.6 | 66% | 0.664 | S | S | * | * | trans | -48.1 | 131.9 | 156 | -77 | 175.4 | 177.1 | 162.8 | 0 | 107 | E337 V340 | K335-E337 PolarHBondContact O-N 3.43Å; K335-E337 VanDerWaalsContact O-N 3.1Å; K335-V340 HydrophobicContact CB-CG2 4.5Å | ||
| 336 | P | 67.7 | Low | 56.7 | Low | 86 Ų | 86 | 113.3 Ų | 113.3 | 56% | 0.558 | 64% | 0.641 | S | S | * | * | trans | -54.9 | 126.2 | -179.6 | -18.3 | 27.5 | 0 | 0 | 0 | 107.8 | A338 V339 | P336-A338 PolarHBondContact O-N 2.91Å; P336-V339 HydrophobicContact CB-CG2 4.31Å; P336-V339 HydrophobicContact CG-CG2 4.27Å; P336-V339 PolarHBondContact O-N 3.15Å | ||
| 337 | E | 64.3 | Low | 58.9 | Low | 150 Ų | 150 | 113.8 Ų | 113.8 | 70% | 0.701 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -47.1 | -33.4 | -179 | -145.1 | 177.3 | -176 | 0 | 0 | 111.2 | K335 V339 V340 H341 | K335-E337 PolarHBondContact O-N 3.43Å; K335-E337 VanDerWaalsContact O-N 3.1Å; E337-V339 VanDerWaalsContact C-N 3.34Å; E337-V339 PolarHBondContact O-N 3.01Å; E337-V340 PolarHBondContact O-N 3.29Å; E337-H341 WeakPolarHBondContact O-CB 3.37Å; E337-H341 PolarHBondContact O-CD2 3.34Å; E337-H341 PolarHBondContact O-N 3.45Å |
| 338 | A | 68 | Low | 60.5 | Low | 71 Ų | 71 | 111 Ų | 111 | 59% | 0.587 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -55.4 | -36.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | P336 A342 | P336-A338 PolarHBondContact O-N 2.91Å; A338-A342 VanDerWaalsContact O-CB 3.24Å; A338-A342 WeakPolarHBondContact O-CB 3.43Å; A338-A342 PolarHBondContact O-N 2.93Å |
| 339 | V | 69.5 | Low | 62.1 | Low | 62 Ų | 62 | 112.7 Ų | 112.7 | 38% | 0.376 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -74.9 | -37.4 | 179.5 | 179.7 | 0 | 0 | 0 | 0 | 110.7 | P336 E337 A342 M343 | P336-V339 HydrophobicContact CB-CG2 4.31Å; P336-V339 HydrophobicContact CG-CG2 4.27Å; P336-V339 PolarHBondContact O-N 3.15Å; E337-V339 VanDerWaalsContact C-N 3.34Å; E337-V339 PolarHBondContact O-N 3.01Å; V339-A342 PolarHBondContact O-N 3.49Å; V339-M343 WeakPolarHBondContact O-CB 3.45Å; V339-M343 WeakPolarHBondContact O-CG 3.49Å; V339-M343 PolarHBondContact O-N 3.43Å |
| 340 | V | 76 | Confident | 63 | Low | 78 Ų | 78 | 107 Ų | 107 | 47% | 0.473 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -69 | -42.7 | 174.7 | 180 | 0 | 0 | 0 | 0 | 110.2 | K335 E337 M343 K344 | K335-V340 HydrophobicContact CB-CG2 4.5Å; E337-V340 PolarHBondContact O-N 3.29Å; V340-M343 PolarHBondContact O-N 3.03Å; V340-K344 WeakPolarHBondContact O-CB 3.37Å; V340-K344 PolarHBondContact O-N 3.16Å |
| 341 | H | 72.5 | Confident | 64.3 | Low | 111 Ų | 111 | 102.6 Ų | 102.6 | 51% | 0.514 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -61.9 | -42.6 | 173 | -81.8 | -66.7 | 0 | 0 | 0 | 112 | E337 K344 V345 | E337-H341 WeakPolarHBondContact O-CB 3.37Å; E337-H341 PolarHBondContact O-CD2 3.34Å; E337-H341 PolarHBondContact O-N 3.45Å; H341-K344 PolarHBondContact O-N 2.94Å; H341-V345 VanDerWaalsContact O-CG2 3.29Å; H341-V345 WeakPolarHBondContact O-CG2 3.4Å; H341-V345 PolarHBondContact O-N 3.45Å |
| 342 | A | 71.4 | Confident | 65.6 | Low | 47 Ų | 47 | 103.3 Ų | 103.3 | 39% | 0.388 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -57.6 | -59.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | A338 V339 K344 V345 L346 | A338-A342 VanDerWaalsContact O-CB 3.24Å; A338-A342 WeakPolarHBondContact O-CB 3.43Å; A338-A342 PolarHBondContact O-N 2.93Å; V339-A342 PolarHBondContact O-N 3.49Å; A342-K344 PolarHBondContact O-N 3.38Å; A342-V345 WeakPolarHBondContact O-CA 3.25Å; A342-V345 WeakPolarHBondContact O-CB 3.24Å; A342-V345 PolarHBondContact O-N 2.99Å; A342-L346 WeakPolarHBondContact O-CG 3.47Å; A342-L346 PolarHBondContact O-N 3.18Å |
| 343 | M | 74.4 | Confident | 66.1 | Low | 96 Ų | 96 | 103.8 Ų | 103.8 | 47% | 0.473 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -51.1 | -38.2 | 179.2 | -75.5 | -179.4 | 64.9 | 0 | 0 | 113.7 | M122 V339 V340 L346 E347 | M122-M343 HydrophobicContact CE-CG 4.12Å; M122-M343 HydrophobicContact CE-SD 3.68Å; V339-M343 WeakPolarHBondContact O-CB 3.45Å; V339-M343 WeakPolarHBondContact O-CG 3.49Å; V339-M343 PolarHBondContact O-N 3.43Å; V340-M343 PolarHBondContact O-N 3.03Å; M343-L346 WeakPolarHBondContact O-CB 3.3Å; M343-L346 PolarHBondContact O-N 3.01Å; M343-E347 PolarHBondContact O-N 3.33Å |
| 344 | K | 74.6 | Confident | 66.5 | Low | 138 Ų | 138 | 103.6 Ų | 103.6 | 60% | 0.6 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -72.3 | -36.5 | 178.4 | -157.5 | 165.8 | -171.3 | 172.9 | 0 | 113.2 | V340 H341 A342 L346 E347 V348 | V340-K344 WeakPolarHBondContact O-CB 3.37Å; V340-K344 PolarHBondContact O-N 3.16Å; H341-K344 PolarHBondContact O-N 2.94Å; A342-K344 PolarHBondContact O-N 3.38Å; K344-L346 VanDerWaalsContact C-N 3.29Å; K344-E347 PolarHBondContact O-N 3.02Å; K344-V348 VanDerWaalsContact O-CG2 3.29Å; K344-V348 WeakPolarHBondContact O-CG2 3.49Å; K344-V348 PolarHBondContact O-N 3.24Å; K344-V348 VanDerWaalsContact O-N 3.08Å |
| 345 | V | 76.9 | Confident | 66.5 | Low | 76 Ų | 76 | 102.6 Ų | 102.6 | 46% | 0.461 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.5 | -39.6 | 171.3 | 169.4 | 0 | 0 | 0 | 0 | 110.4 | H341 A342 V348 H349 | H341-V345 VanDerWaalsContact O-CG2 3.29Å; H341-V345 WeakPolarHBondContact O-CG2 3.4Å; H341-V345 PolarHBondContact O-N 3.45Å; A342-V345 WeakPolarHBondContact O-CA 3.25Å; A342-V345 WeakPolarHBondContact O-CB 3.24Å; A342-V345 PolarHBondContact O-N 2.99Å; V345-V348 PolarHBondContact O-N 3.47Å; V345-H349 PolarHBondContact O-N 2.9Å; V345-H349 VanDerWaalsContact O-N 3.07Å; V345-H349 PolarHBondContact O-ND1 3.42Å |
| 346 | L | 67 | Low | 66.1 | Low | 65 Ų | 65 | 98.8 Ų | 98.8 | 34% | 0.34 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.9 | -41 | 179.3 | -60.1 | 174.7 | 0 | 0 | 0 | 111.7 | W115 A342 M343 K344 H349 E350 | W115-L346 HydrophobicContact CE3-CD1 4.31Å; W115-L346 HydrophobicContact CH2-CB 3.3Å; W115-L346 HydrophobicContact CH2-CD1 3.62Å; W115-L346 HydrophobicContact CH2-CD2 2.9Å; W115-L346 HydrophobicContact CH2-CG 3.2Å; W115-L346 HydrophobicContact CZ2-CD2 3.57Å; W115-L346 HydrophobicContact CZ2-CG 4.31Å; W115-L346 HydrophobicContact CZ3-CB 3.52Å; W115-L346 HydrophobicContact CZ3-CD1 3.26Å; W115-L346 HydrophobicContact CZ3-CD2 3.58Å; W115-L346 HydrophobicContact CZ3-CG 3.42Å; W115-L346 VanDerWaalsContact CZ3-CG 3.42Å; A342-L346 WeakPolarHBondContact O-CG 3.47Å; A342-L346 PolarHBondContact O-N 3.18Å; M343-L346 WeakPolarHBondContact O-CB 3.3Å; M343-L346 PolarHBondContact O-N 3.01Å; K344-L346 VanDerWaalsContact C-N 3.29Å; L346-H349 PolarHBondContact O-N 3.17Å; L346-E350 PolarHBondContact O-N 3.35Å |
| 347 | E | 75.1 | Confident | 65.1 | Low | 113 Ų | 113 | 99.5 Ų | 99.5 | 53% | 0.528 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.2 | -35.2 | 174.1 | -173.3 | 175.5 | -162.9 | 0 | 0 | 112.8 | M343 K344 H349 E350 N351 | M343-E347 PolarHBondContact O-N 3.33Å; K344-E347 PolarHBondContact O-N 3.02Å; E347-H349 VanDerWaalsContact C-N 3.35Å; E347-E350 PolarHBondContact O-N 3.05Å; E347-N351 PolarHBondContact O-N 2.72Å; E347-N351 PolarHBondContact O-ND2 3.28Å; E347-N351 VanDerWaalsContact O-ND2 3.11Å |
| 348 | V | 72.6 | Confident | 64.4 | Low | 78 Ų | 78 | 101.7 Ų | 101.7 | 47% | 0.473 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.8 | -38.1 | 172.8 | 170 | 0 | 0 | 0 | 0 | 111.3 | K344 V345 N351 L352 | K344-V348 VanDerWaalsContact O-CG2 3.29Å; K344-V348 WeakPolarHBondContact O-CG2 3.49Å; K344-V348 PolarHBondContact O-N 3.24Å; K344-V348 VanDerWaalsContact O-N 3.08Å; V345-V348 PolarHBondContact O-N 3.47Å; V348-N351 PolarHBondContact O-N 3.01Å; V348-L352 HydrophobicContact CG1-CD1 3.91Å; V348-L352 WeakPolarHBondContact O-CD1 3.5Å; V348-L352 WeakPolarHBondContact O-CG 3.46Å; V348-L352 PolarHBondContact O-N 2.77Å; V348-L352 VanDerWaalsContact O-N 3.08Å |
| 349 | H | 64.3 | Low | 63.5 | Low | 111 Ų | 111 | 105.3 Ų | 105.3 | 51% | 0.514 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66.4 | -39.5 | 174.4 | -76.6 | 71.4 | 0 | 0 | 0 | 111.6 | V345 L346 E347 N351 L352 D353 | V345-H349 PolarHBondContact O-N 2.9Å; V345-H349 VanDerWaalsContact O-N 3.07Å; V345-H349 PolarHBondContact O-ND1 3.42Å; L346-H349 PolarHBondContact O-N 3.17Å; E347-H349 VanDerWaalsContact C-N 3.35Å; H349-N351 PolarHBondContact O-N 3.42Å; H349-L352 PolarHBondContact O-N 3.39Å; H349-D353 WeakPolarHBondContact O-CB 3.43Å; H349-D353 PolarHBondContact O-N 3.39Å |
| 350 | E | 63.9 | Low | 62.3 | Low | 103 Ų | 103 | 112 Ų | 112 | 48% | 0.481 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -62.7 | -38.8 | 175.2 | -168.8 | -173.1 | 164.6 | 0 | 0 | 112.6 | L346 E347 K354 | L346-E350 PolarHBondContact O-N 3.35Å; E347-E350 PolarHBondContact O-N 3.05Å; E350-K354 WeakPolarHBondContact O-CG 3.5Å; E350-K354 PolarHBondContact O-N 2.96Å; E350-K354 VanDerWaalsContact O-N 3.08Å; E350-K354 VanDerWaalsContact OE1-CE 3.29Å; E350-K354 WeakPolarHBondContact OE1-CE 3.4Å; E350-K354 IonicContact OE1-NZ 2.82Å; E350-K354 PolarHBondContact OE1-NZ 2.63Å |
| 351 | N | 65 | Low | 61.1 | Low | 82 Ų | 82 | 116.9 Ų | 116.9 | 44% | 0.439 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -75.5 | -23.7 | 178.1 | -73.7 | -40.2 | 0 | 0 | 0 | 113.9 | E347 V348 H349 Q355 | E347-N351 PolarHBondContact O-N 2.72Å; E347-N351 PolarHBondContact O-ND2 3.28Å; E347-N351 VanDerWaalsContact O-ND2 3.11Å; V348-N351 PolarHBondContact O-N 3.01Å; H349-N351 PolarHBondContact O-N 3.42Å; N351-Q355 PolarHBondContact O-NE2 3.1Å; N351-Q355 VanDerWaalsContact O-NE2 3.16Å |
| 352 | L | 59.8 | Low | 60 | Low | 114 Ų | 114 | 118.5 Ų | 118.5 | 60% | 0.597 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -79.4 | -38 | 171.5 | -75.7 | 163 | 0 | 0 | 0 | 111.4 | V348 H349 Q355 | V348-L352 HydrophobicContact CG1-CD1 3.91Å; V348-L352 WeakPolarHBondContact O-CD1 3.5Å; V348-L352 WeakPolarHBondContact O-CG 3.46Å; V348-L352 PolarHBondContact O-N 2.77Å; V348-L352 VanDerWaalsContact O-N 3.08Å; H349-L352 PolarHBondContact O-N 3.39Å; L352-Q355 PolarHBondContact O-N 2.82Å |
| 353 | D | 54.9 | Low | 59.5 | Low | 132 Ų | 132 | 122 Ų | 122 | 71% | 0.706 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -68.5 | -38.9 | 176.9 | -111.5 | 6.5 | 0 | 0 | 0 | 112.3 | H349 Q355 A356 | H349-D353 WeakPolarHBondContact O-CB 3.43Å; H349-D353 PolarHBondContact O-N 3.39Å; D353-Q355 PolarHBondContact O-N 2.97Å; D353-A356 WeakPolarHBondContact O-CB 3.45Å; D353-A356 PolarHBondContact O-N 3.48Å |
| 354 | K | 58.7 | Low | 59.5 | Low | 146 Ų | 146 | 121.6 Ų | 121.6 | 64% | 0.635 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | -18.4 | 175.8 | -74.4 | 175.5 | -173.5 | 167.4 | 0 | 114.1 | E350 | E350-K354 WeakPolarHBondContact O-CG 3.5Å; E350-K354 PolarHBondContact O-N 2.96Å; E350-K354 VanDerWaalsContact O-N 3.08Å; E350-K354 VanDerWaalsContact OE1-CE 3.29Å; E350-K354 WeakPolarHBondContact OE1-CE 3.4Å; E350-K354 IonicContact OE1-NZ 2.82Å; E350-K354 PolarHBondContact OE1-NZ 2.63Å |
| 355 | Q | 47.5 | Very low | 59.7 | Low | 158 Ų | 158 | 117.7 Ų | 117.7 | 74% | 0.738 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | -3.7 | 175.9 | -83.5 | 179.9 | 78.3 | 0 | 0 | 113.3 | N351 L352 D353 P357 | N351-Q355 PolarHBondContact O-NE2 3.1Å; N351-Q355 VanDerWaalsContact O-NE2 3.16Å; L352-Q355 PolarHBondContact O-N 2.82Å; D353-Q355 PolarHBondContact O-N 2.97Å; Q355-P357 VanDerWaalsContact O-CD 3.27Å; Q355-P357 WeakPolarHBondContact O-CD 3.39Å |
| 356 | A | 43.4 | Very low | 59.8 | Low | 58 Ų | 58 | 120.2 Ų | 120.2 | 48% | 0.479 | 61% | 0.609 | S | S | . | * | S | Bend | trans | -77.2 | 114.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109 | D353 E358 | D353-A356 WeakPolarHBondContact O-CB 3.45Å; D353-A356 PolarHBondContact O-N 3.48Å; A356-E358 PolarHBondContact O-N 3Å |
| 357 | P | 46.5 | Very low | 60.4 | Low | 101 Ų | 101 | 124.8 Ų | 124.8 | 66% | 0.656 | 63% | 0.626 | S | S | * | * | trans | -66.7 | 121.8 | 173.3 | -9.4 | 25.9 | 0 | 0 | 0 | 108.3 | Q355 D359 | Q355-P357 VanDerWaalsContact O-CD 3.27Å; Q355-P357 WeakPolarHBondContact O-CD 3.39Å; P357-D359 PolarHBondContact O-N 3.31Å | ||
| 358 | E | 50.6 | Low | 60.8 | Low | 195 Ų | 195 | 123.9 Ų | 123.9 | 91% | 0.911 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -69.2 | 17 | 178.8 | -98 | -108.2 | 150.6 | 0 | 0 | 114.5 | A356 | A356-E358 PolarHBondContact O-N 3Š|
| 359 | D | 48.8 | Very low | 61.3 | Low | 147 Ų | 147 | 123 Ų | 123 | 79% | 0.786 | 61% | 0.612 | S | S | * | * | trans | -133.4 | 85.3 | 178.8 | -90.6 | -33.9 | 0 | 0 | 0 | 110.2 | P357 | P357-D359 PolarHBondContact O-N 3.31Š| ||
| 360 | Y | 44.4 | Very low | 62.3 | Low | 204 Ų | 204 | 120.1 Ų | 120.1 | 80% | 0.8 | 61% | 0.607 | S | S | * | * | trans | -138.9 | 103.7 | 153.5 | -91.4 | -82.6 | 0 | 0 | 0 | 109 | D362 | Y360-D362 PolarHBondContact O-N 2.95Š| ||
| 361 | E | 50 | Low | 63.4 | Low | 180 Ų | 180 | 119.5 Ų | 119.5 | 84% | 0.841 | 61% | 0.606 | S | S | * | * | trans | -42.1 | 120.7 | 150.6 | -90.8 | -77.7 | 133.7 | 0 | 0 | 108.6 | D363 | E361-D363 PolarHBondContact O-N 3.34Š| ||
| 362 | D | 50.2 | Low | 64.5 | Low | 144 Ų | 144 | 119 Ų | 119 | 77% | 0.77 | 61% | 0.606 | S | S | * | * | trans | -76.2 | 57.3 | -170.3 | -149.5 | 11.9 | 0 | 0 | 0 | 110.5 | Y360 L364 | Y360-D362 PolarHBondContact O-N 2.95Å; D362-L364 PolarHBondContact O-N 3.43Å | ||
| 363 | D | 60.9 | Low | 65.7 | Low | 122 Ų | 122 | 121 Ų | 121 | 65% | 0.652 | 61% | 0.605 | S | S | * | * | trans | -84.4 | 105.6 | 171.4 | -153.6 | -2.1 | 0 | 0 | 0 | 106.4 | E361 S365 K369 | E361-D363 PolarHBondContact O-N 3.34Å; D363-S365 PolarHBondContact O-N 3.24Å; D363-K369 IonicContact OD1-NZ 2.74Å; D363-K369 PolarHBondContact OD1-NZ 3.07Å; D363-K369 IonicContact OD2-NZ 3.14Å | ||
| 364 | L | 73.9 | Confident | 67.4 | Low | 87 Ų | 87 | 119.6 Ų | 119.6 | 46% | 0.455 | 60% | 0.595 | S | S | . | * | trans | -37.2 | 128.8 | -176 | -69.9 | 162 | 0 | 0 | 0 | 110.8 | D362 E368 K369 | D362-L364 PolarHBondContact O-N 3.43Å; L364-E368 HydrophobicContact CB-CB 4.29Å; L364-E368 HydrophobicContact CD2-CB 4.18Å; L364-K369 HydrophobicContact CB-CD 4.39Å; L364-K369 HydrophobicContact CB-CG 3.74Å; L364-K369 VanDerWaalsContact O-CD 3.23Å; L364-K369 WeakPolarHBondContact O-CD 3.29Å; L364-K369 WeakPolarHBondContact O-CE 3.32Å; L364-K369 PolarHBondContact O-NZ 2.99Å | ||
| 365 | S | 79.6 | Confident | 68.6 | Low | 55 Ų | 55 | 118.7 Ų | 118.7 | 39% | 0.385 | 59% | 0.594 | S | S | . | * | trans | -57.9 | 151.9 | 179.7 | 68.2 | 0 | 0 | 0 | 0 | 110 | D363 K367 E368 K369 | D363-S365 PolarHBondContact O-N 3.24Å; S365-K367 PolarHBondContact O-N 3.48Å; S365-E368 VanDerWaalsContact CB-OE2 3.25Å; S365-E368 WeakPolarHBondContact CB-OE2 3.44Å; S365-E368 PolarHBondContact N-OE2 2.94Å; S365-E368 CarbonylContact O-C 3.59Å; S365-E368 WeakPolarHBondContact O-CA 3.47Å; S365-E368 WeakPolarHBondContact O-CB 3.25Å; S365-E368 PolarHBondContact O-N 2.91Å; S365-E368 VanDerWaalsContact OG-CG 3.28Å; S365-E368 WeakPolarHBondContact OG-CG 3.48Å; S365-E368 PolarHBondContact OG-N 3.32Å; S365-E368 PolarHBondContact OG-OE2 2.82Å; S365-K369 PolarHBondContact O-N 2.88Å | ||
| 366 | E | 77.7 | Confident | 70.4 | Confident | 130 Ų | 130 | 114.8 Ų | 114.8 | 61% | 0.607 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -54.2 | -30.8 | -179.1 | -169 | 59.8 | -148.8 | 0 | 0 | 112 | A370 | E366-A370 WeakPolarHBondContact O-CB 3.47Å; E366-A370 PolarHBondContact O-N 3Å |
| 367 | K | 80.3 | Confident | 72.5 | Confident | 161 Ų | 161 | 115.6 Ų | 115.6 | 70% | 0.7 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -67.4 | -43 | 173.8 | -172.3 | 178.5 | 179.2 | -176.2 | 0 | 112.5 | S365 A370 I371 | S365-K367 PolarHBondContact O-N 3.48Å; K367-A370 PolarHBondContact O-N 3.35Å; K367-I371 HydrophobicContact CG-CD1 4.47Å; K367-I371 VanDerWaalsContact O-CG1 3.29Å; K367-I371 WeakPolarHBondContact O-CG1 3.36Å; K367-I371 PolarHBondContact O-N 3.05Å |
| 368 | E | 84.6 | Confident | 74.5 | Confident | 94 Ų | 94 | 114.1 Ų | 114.1 | 44% | 0.439 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -70.9 | -38.4 | 176.2 | -69 | 161.4 | 138.5 | 0 | 0 | 111.5 | L364 S365 A370 I371 V372 | L364-E368 HydrophobicContact CB-CB 4.29Å; L364-E368 HydrophobicContact CD2-CB 4.18Å; S365-E368 VanDerWaalsContact CB-OE2 3.25Å; S365-E368 WeakPolarHBondContact CB-OE2 3.44Å; S365-E368 PolarHBondContact N-OE2 2.94Å; S365-E368 CarbonylContact O-C 3.59Å; S365-E368 WeakPolarHBondContact O-CA 3.47Å; S365-E368 WeakPolarHBondContact O-CB 3.25Å; S365-E368 PolarHBondContact O-N 2.91Å; S365-E368 VanDerWaalsContact OG-CG 3.28Å; S365-E368 WeakPolarHBondContact OG-CG 3.48Å; S365-E368 PolarHBondContact OG-N 3.32Å; S365-E368 PolarHBondContact OG-OE2 2.82Å; E368-A370 VanDerWaalsContact C-N 3.29Å; E368-A370 PolarHBondContact O-N 3.39Å; E368-I371 PolarHBondContact O-N 3.48Å; E368-V372 WeakPolarHBondContact O-CG2 3.49Å; E368-V372 PolarHBondContact O-N 3.09Å |
| 369 | K | 81.6 | Confident | 76.1 | Confident | 59 Ų | 59 | 108.7 Ų | 108.7 | 26% | 0.257 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -59.4 | -40.1 | 170.9 | -72.6 | 173.7 | 173.3 | 157.4 | 0 | 111 | D363 L364 S365 R373 | D363-K369 IonicContact OD1-NZ 2.74Å; D363-K369 PolarHBondContact OD1-NZ 3.07Å; D363-K369 IonicContact OD2-NZ 3.14Å; L364-K369 HydrophobicContact CB-CD 4.39Å; L364-K369 HydrophobicContact CB-CG 3.74Å; L364-K369 VanDerWaalsContact O-CD 3.23Å; L364-K369 WeakPolarHBondContact O-CD 3.29Å; L364-K369 WeakPolarHBondContact O-CE 3.32Å; L364-K369 PolarHBondContact O-NZ 2.99Å; S365-K369 PolarHBondContact O-N 2.88Å; K369-R373 WeakPolarHBondContact O-CB 3.28Å; K369-R373 VanDerWaalsContact O-CG 3.27Å; K369-R373 WeakPolarHBondContact O-CG 3.33Å; K369-R373 PolarHBondContact O-N 3.26Å |
| 370 | A | 85 | Confident | 77.9 | Confident | 50 Ų | 50 | 111.4 Ų | 111.4 | 41% | 0.413 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.8 | -41.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | E366 K367 E368 R373 E374 | E366-A370 WeakPolarHBondContact O-CB 3.47Å; E366-A370 PolarHBondContact O-N 3Å; K367-A370 PolarHBondContact O-N 3.35Å; E368-A370 VanDerWaalsContact C-N 3.29Å; E368-A370 PolarHBondContact O-N 3.39Å; A370-R373 PolarHBondContact O-N 2.94Å; A370-E374 PolarHBondContact O-N 3.19Å |
| 371 | I | 88 | Confident | 79.7 | Confident | 91 Ų | 91 | 108.2 Ų | 108.2 | 47% | 0.467 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.5 | -46.5 | 176 | -67.7 | 163.3 | 0 | 0 | 0 | 110.6 | K367 E368 R373 E374 M375 | K367-I371 HydrophobicContact CG-CD1 4.47Å; K367-I371 VanDerWaalsContact O-CG1 3.29Å; K367-I371 WeakPolarHBondContact O-CG1 3.36Å; K367-I371 PolarHBondContact O-N 3.05Å; E368-I371 PolarHBondContact O-N 3.48Å; I371-R373 VanDerWaalsContact C-N 3.34Å; I371-R373 PolarHBondContact O-N 2.84Å; I371-E374 PolarHBondContact O-N 3.04Å; I371-M375 HydrophobicContact CG2-CG 4.39Å; I371-M375 HydrophobicContact CG2-SD 4.1Å; I371-M375 WeakPolarHBondContact O-CG 3.44Å; I371-M375 PolarHBondContact O-N 3.44Å |
| 372 | V | 87.3 | Confident | 81.2 | Confident | 70 Ų | 70 | 107.1 Ų | 107.1 | 42% | 0.424 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.4 | -41.7 | 178.7 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | E368 E374 M375 C376 | E368-V372 WeakPolarHBondContact O-CG2 3.49Å; E368-V372 PolarHBondContact O-N 3.09Å; V372-E374 PolarHBondContact O-N 2.91Å; V372-M375 PolarHBondContact O-N 3.29Å; V372-C376 WeakPolarHBondContact O-CB 3.45Å; V372-C376 PolarHBondContact O-N 2.97Å; V372-C376 PolarHBondContact O-SG 3.41Å; V372-C376 VanDerWaalsContact O-SG 3.33Å |
| 373 | R | 86.1 | Confident | 82.5 | Confident | 156 Ų | 156 | 105.5 Ų | 105.5 | 59% | 0.589 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.7 | -43.9 | 175 | -74.5 | 176.1 | -169.5 | -176 | 8.2 | 111.8 | K369 A370 I371 C376 N377 | K369-R373 WeakPolarHBondContact O-CB 3.28Å; K369-R373 VanDerWaalsContact O-CG 3.27Å; K369-R373 WeakPolarHBondContact O-CG 3.33Å; K369-R373 PolarHBondContact O-N 3.26Å; A370-R373 PolarHBondContact O-N 2.94Å; I371-R373 VanDerWaalsContact C-N 3.34Å; I371-R373 PolarHBondContact O-N 2.84Å; R373-C376 PolarHBondContact O-N 2.91Å; R373-N377 WeakPolarHBondContact O-CB 3.48Å; R373-N377 PolarHBondContact O-N 3.1Å; R373-N377 PolarHBondContact O-ND2 3.18Å |
| 374 | E | 90.5 | Very high | 83.1 | Confident | 104 Ų | 104 | 101.8 Ų | 101.8 | 49% | 0.486 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.8 | -40 | 177 | -85.9 | -54.5 | 115.3 | 0 | 0 | 112.9 | A370 I371 V372 C376 N377 V378 | A370-E374 PolarHBondContact O-N 3.19Å; I371-E374 PolarHBondContact O-N 3.04Å; V372-E374 PolarHBondContact O-N 2.91Å; E374-C376 VanDerWaalsContact C-N 3.34Å; E374-C376 PolarHBondContact O-N 2.93Å; E374-N377 PolarHBondContact O-N 2.93Å; E374-N377 PolarHBondContact OE1-ND2 2.93Å; E374-N377 VanDerWaalsContact OE1-ND2 3.11Å; E374-V378 WeakPolarHBondContact O-CG2 3.37Å; E374-V378 PolarHBondContact O-N 3.37Å |
| 375 | M | 84.6 | Confident | 82.6 | Confident | 126 Ų | 126 | 103.3 Ų | 103.3 | 62% | 0.621 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.4 | -44.4 | 174.1 | -70.8 | -177.4 | 78.7 | 0 | 0 | 111.5 | I371 V372 V378 V379 | I371-M375 HydrophobicContact CG2-CG 4.39Å; I371-M375 HydrophobicContact CG2-SD 4.1Å; I371-M375 WeakPolarHBondContact O-CG 3.44Å; I371-M375 PolarHBondContact O-N 3.44Å; V372-M375 PolarHBondContact O-N 3.29Å; M375-V378 PolarHBondContact O-N 3.5Å; M375-V379 WeakPolarHBondContact O-CG2 3.42Å; M375-V379 PolarHBondContact O-N 3.28Å |
| 376 | C | 85.3 | Confident | 81.5 | Confident | 76 Ų | 76 | 103.8 Ų | 103.8 | 51% | 0.514 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.6 | -41.7 | 174.9 | -71.7 | 0 | 0 | 0 | 0 | 112.1 | V372 R373 E374 V378 V379 W380 | V372-C376 WeakPolarHBondContact O-CB 3.45Å; V372-C376 PolarHBondContact O-N 2.97Å; V372-C376 PolarHBondContact O-SG 3.41Å; V372-C376 VanDerWaalsContact O-SG 3.33Å; R373-C376 PolarHBondContact O-N 2.91Å; E374-C376 VanDerWaalsContact C-N 3.34Å; E374-C376 PolarHBondContact O-N 2.93Å; C376-V378 VanDerWaalsContact C-N 3.33Å; C376-V378 PolarHBondContact O-N 2.91Å; C376-V379 PolarHBondContact O-N 3.48Å; C376-W380 VanDerWaalsContact O-CB 3.3Å; C376-W380 WeakPolarHBondContact O-CB 3.45Å; C376-W380 PolarHBondContact O-N 3.19Å |
| 377 | N | 86.1 | Confident | 80.4 | Confident | 76 Ų | 76 | 101.7 Ų | 101.7 | 41% | 0.406 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.3 | -37.4 | 177.4 | -72 | -19.7 | 0 | 0 | 0 | 112.5 | R373 E374 R381 | R373-N377 WeakPolarHBondContact O-CB 3.48Å; R373-N377 PolarHBondContact O-N 3.1Å; R373-N377 PolarHBondContact O-ND2 3.18Å; E374-N377 PolarHBondContact O-N 2.93Å; E374-N377 PolarHBondContact OE1-ND2 2.93Å; E374-N377 VanDerWaalsContact OE1-ND2 3.11Å; N377-R381 PolarHBondContact O-N 2.86Å; N377-R381 VanDerWaalsContact O-N 3.09Å; N377-R381 PolarHBondContact O-NE 3.31Å |
| 378 | V | 88.8 | Confident | 78.9 | Confident | 69 Ų | 69 | 97.2 Ų | 97.2 | 42% | 0.418 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68.1 | -45.7 | 176 | 170.2 | 0 | 0 | 0 | 0 | 110.8 | E374 M375 C376 R381 K382 | E374-V378 WeakPolarHBondContact O-CG2 3.37Å; E374-V378 PolarHBondContact O-N 3.37Å; M375-V378 PolarHBondContact O-N 3.5Å; C376-V378 VanDerWaalsContact C-N 3.33Å; C376-V378 PolarHBondContact O-N 2.91Å; V378-R381 PolarHBondContact O-N 3.27Å; V378-K382 WeakPolarHBondContact O-CB 3.27Å; V378-K382 PolarHBondContact O-N 2.98Å |
| 379 | V | 83.9 | Confident | 77.2 | Confident | 82 Ų | 82 | 97 Ų | 97 | 50% | 0.497 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.8 | -44.5 | 177.4 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | M375 C376 R381 K382 L383 | M375-V379 WeakPolarHBondContact O-CG2 3.42Å; M375-V379 PolarHBondContact O-N 3.28Å; C376-V379 PolarHBondContact O-N 3.48Å; V379-R381 PolarHBondContact O-N 3.42Å; V379-K382 PolarHBondContact O-N 3.44Å; V379-L383 HydrophobicContact CG1-CD1 3.83Å; V379-L383 HydrophobicContact CG1-CG 4.34Å; V379-L383 WeakPolarHBondContact O-CB 3.49Å; V379-L383 WeakPolarHBondContact O-CG 3.33Å; V379-L383 PolarHBondContact O-N 2.97Å |
| 380 | W | 86.7 | Confident | 75.8 | Confident | 203 Ų | 203 | 104.1 Ų | 104.1 | 77% | 0.769 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -61.3 | -44.3 | 178.8 | -170.5 | -97.2 | 0 | 0 | 0 | 112.4 | C376 L383 G384 | C376-W380 VanDerWaalsContact O-CB 3.3Å; C376-W380 WeakPolarHBondContact O-CB 3.45Å; C376-W380 PolarHBondContact O-N 3.19Å; W380-L383 PolarHBondContact O-N 2.97Å; W380-G384 PolarHBondContact O-N 3.39Å |
| 381 | R | 82.8 | Confident | 73.5 | Confident | 137 Ų | 137 | 110 Ų | 110 | 52% | 0.517 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -62.4 | -45.5 | 173 | -86.5 | 179.1 | -77 | 140.5 | -8.7 | 112 | N377 V378 V379 L383 G384 D385 | N377-R381 PolarHBondContact O-N 2.86Å; N377-R381 VanDerWaalsContact O-N 3.09Å; N377-R381 PolarHBondContact O-NE 3.31Å; V378-R381 PolarHBondContact O-N 3.27Å; V379-R381 PolarHBondContact O-N 3.42Å; R381-L383 VanDerWaalsContact C-N 3.29Å; R381-L383 PolarHBondContact O-N 3.29Å; R381-G384 PolarHBondContact O-N 2.96Å; R381-G384 VanDerWaalsContact O-N 3.13Å; R381-D385 WeakPolarHBondContact O-CB 3.29Å; R381-D385 VanDerWaalsContact O-CG 3.24Å; R381-D385 PolarHBondContact O-N 2.75Å |
| 382 | K | 82.3 | Confident | 71.3 | Confident | 157 Ų | 157 | 110.2 Ų | 110.2 | 68% | 0.683 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -60.5 | -37.2 | 177.8 | -114.3 | 179.2 | 174.7 | -170.8 | 0 | 112.9 | V378 V379 A386 | V378-K382 WeakPolarHBondContact O-CB 3.27Å; V378-K382 PolarHBondContact O-N 2.98Å; V379-K382 PolarHBondContact O-N 3.44Å; K382-A386 WeakPolarHBondContact O-CB 3.49Å; K382-A386 PolarHBondContact O-N 2.76Å; K382-A386 VanDerWaalsContact O-N 3.08Å |
| 383 | L | 77.4 | Confident | 69.3 | Low | 111 Ų | 111 | 114.9 Ų | 114.9 | 58% | 0.581 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -72.5 | -37.9 | 175.5 | -70.6 | 171.7 | 0 | 0 | 0 | 111.8 | V379 W380 R381 A386 A387 | V379-L383 HydrophobicContact CG1-CD1 3.83Å; V379-L383 HydrophobicContact CG1-CG 4.34Å; V379-L383 WeakPolarHBondContact O-CB 3.49Å; V379-L383 WeakPolarHBondContact O-CG 3.33Å; V379-L383 PolarHBondContact O-N 2.97Å; W380-L383 PolarHBondContact O-N 2.97Å; R381-L383 VanDerWaalsContact C-N 3.29Å; R381-L383 PolarHBondContact O-N 3.29Å; L383-A386 PolarHBondContact O-N 3.49Å; L383-A387 PolarHBondContact O-N 3.21Å |
| 384 | G | 72 | Confident | 67.2 | Low | 44 Ų | 44 | 117.3 Ų | 117.3 | 45% | 0.454 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -62.7 | -42.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113 | W380 R381 A387 G388 | W380-G384 PolarHBondContact O-N 3.39Å; R381-G384 PolarHBondContact O-N 2.96Å; R381-G384 VanDerWaalsContact O-N 3.13Å; G384-A387 PolarHBondContact O-N 3Å; G384-G388 PolarHBondContact O-N 3.29Å |
| 385 | D | 64.4 | Low | 65 | Low | 118 Ų | 118 | 120.8 Ų | 120.8 | 63% | 0.631 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -69.3 | -34.8 | 177.8 | -66.1 | -24.5 | 0 | 0 | 0 | 112 | R381 G388 | R381-D385 WeakPolarHBondContact O-CB 3.29Å; R381-D385 VanDerWaalsContact O-CG 3.24Å; R381-D385 PolarHBondContact O-N 2.75Å; D385-G388 PolarHBondContact O-N 2.67Å |
| 386 | A | 56 | Low | 62.9 | Low | 65 Ų | 65 | 123 Ų | 123 | 54% | 0.537 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -69.4 | -30.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | K382 L383 G388 | K382-A386 WeakPolarHBondContact O-CB 3.49Å; K382-A386 PolarHBondContact O-N 2.76Å; K382-A386 VanDerWaalsContact O-N 3.08Å; L383-A386 PolarHBondContact O-N 3.49Å; A386-G388 VanDerWaalsContact C-N 3.35Å |
| 387 | A | 53.9 | Low | 60.8 | Low | 86 Ų | 86 | 127.9 Ų | 127.9 | 71% | 0.711 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -74.4 | -23.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | L383 G384 | L383-A387 PolarHBondContact O-N 3.21Å; G384-A387 PolarHBondContact O-N 3Å |
| 388 | G | 50.3 | Low | 58.8 | Low | 68 Ų | 68 | 130 Ų | 130 | 70% | 0.701 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -77.7 | -21.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | G384 D385 A386 | G384-G388 PolarHBondContact O-N 3.29Å; D385-G388 PolarHBondContact O-N 2.67Å; A386-G388 VanDerWaalsContact C-N 3.35Å |
| 389 | S | 48.6 | Very low | 56.5 | Low | 89 Ų | 89 | 130 Ų | 130 | 62% | 0.622 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -101.1 | 98.2 | 177.2 | -63.7 | 0 | 0 | 0 | 0 | 109.9 | M391 | S389-M391 PolarHBondContact O-N 3.09Š|
| 390 | K | 50.9 | Low | 54.3 | Low | 209 Ų | 209 | 133 Ų | 133 | 91% | 0.909 | 72% | 0.722 | S | S | * | * | trans | -51.1 | 97.9 | 176 | -74.3 | -179.1 | 177.8 | 176.7 | 0 | 111.9 | ||||
| 391 | M | 37.6 | Very low | 52.1 | Low | 174 Ų | 174 | 132.9 Ų | 132.9 | 86% | 0.857 | 73% | 0.73 | S | S | * | * | trans | -131 | 109.8 | 148.1 | -82.8 | -164.7 | 66 | 0 | 0 | 108.8 | S389 I393 | S389-M391 PolarHBondContact O-N 3.09Å; M391-I393 PolarHBondContact O-N 2.97Å; M391-I393 VanDerWaalsContact O-N 3.16Å | ||
| 392 | S | 41.3 | Very low | 49.8 | Very low | 94 Ų | 94 | 135.7 Ų | 135.7 | 66% | 0.657 | 75% | 0.746 | S | S | * | * | trans | -58.6 | 109.2 | 179.9 | -179.5 | 0 | 0 | 0 | 0 | 111.1 | R394 | S392-R394 PolarHBondContact O-N 3.47Å; S392-R394 VanDerWaalsContact O-N 3.08Å; S392-R394 VanDerWaalsContact OG-CB 3.32Å; S392-R394 WeakPolarHBondContact OG-CB 3.47Å; S392-R394 PolarHBondContact OG-N 2.73Å | ||
| 393 | I | 46.4 | Very low | 47.9 | Very low | 169 Ų | 169 | 138.1 Ų | 138.1 | 87% | 0.867 | 76% | 0.757 | S | S | * | * | G | 310 helix | trans | -70.1 | 8.4 | 168.5 | -64.5 | 168.3 | 0 | 0 | 0 | 111.1 | M391 Q395 | M391-I393 PolarHBondContact O-N 2.97Å; M391-I393 VanDerWaalsContact O-N 3.16Å; I393-Q395 PolarHBondContact O-N 2.94Å |
| 394 | R | 41.7 | Very low | 46 | Very low | 207 Ų | 207 | 136 Ų | 136 | 78% | 0.781 | 76% | 0.762 | S | S | * | * | G | 310 helix | trans | -83.7 | -1.2 | -176 | -146.2 | -176.9 | -167.9 | -150.2 | 5.5 | 115.1 | S392 | S392-R394 PolarHBondContact O-N 3.47Å; S392-R394 VanDerWaalsContact O-N 3.08Å; S392-R394 VanDerWaalsContact OG-CB 3.32Å; S392-R394 WeakPolarHBondContact OG-CB 3.47Å; S392-R394 PolarHBondContact OG-N 2.73Å |
| 395 | Q | 43 | Very low | 45 | Very low | 177 Ų | 177 | 140.3 Ų | 140.3 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | G | 310 helix | trans | -104.2 | -0.6 | -173.6 | -90.9 | -175.7 | -12.1 | 0 | 0 | 116.5 | I393 | I393-Q395 PolarHBondContact O-N 2.94Š|
| 396 | H | 41.5 | Very low | 43.8 | Very low | 172 Ų | 172 | 146.6 Ų | 146.6 | 80% | 0.796 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -101.9 | 2.2 | -173.6 | -103.1 | -91.6 | 0 | 0 | 0 | 116.9 | ||
| 397 | L | 41 | Very low | 43.2 | Very low | 178 Ų | 178 | 150.7 Ų | 150.7 | 93% | 0.932 | 83% | 0.828 | S | S | * | * | S | Bend | trans | -131.7 | 20.2 | -175.7 | -67.8 | 173.5 | 0 | 0 | 0 | 116 | ||
| 398 | S | 44.2 | Very low | 42.6 | Very low | 122 Ų | 122 | 154.1 Ų | 154.1 | 85% | 0.853 | 83% | 0.834 | S | S | * | * | trans | -122.3 | 90.9 | 171.1 | -174.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 399 | G | 40.3 | Very low | 42.2 | Very low | 67 Ų | 67 | 158.9 Ų | 158.9 | 69% | 0.691 | 84% | 0.842 | S | S | * | * | trans | -175.3 | 50.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 400 | N | 38.7 | Very low | 41.8 | Very low | 147 Ų | 147 | 163 Ų | 163 | 79% | 0.786 | 86% | 0.855 | S | S | * | * | trans | -147 | 83.8 | 161.3 | -96.9 | -0.8 | 0 | 0 | 0 | 108.8 | ||||
| 401 | Q | 39.4 | Very low | 41.2 | Very low | 199 Ų | 199 | 160.1 Ų | 160.1 | 93% | 0.93 | 85% | 0.851 | S | S | * | * | trans | -99.8 | 103 | 158.1 | -78.4 | -172.7 | 66.8 | 0 | 0 | 107.4 | K403 | Q401-K403 PolarHBondContact O-N 3.11Š| ||
| 402 | F | 35.4 | Very low | 41.5 | Very low | 197 Ų | 197 | 159.2 Ų | 159.2 | 86% | 0.864 | 85% | 0.851 | S | S | * | * | trans | -68.1 | 122.9 | 168.4 | -103.6 | -99.5 | 0 | 0 | 0 | 109 | ||||
| 403 | K | 41.7 | Very low | 41.5 | Very low | 207 Ų | 207 | 163.9 Ų | 163.9 | 90% | 0.9 | 87% | 0.865 | S | S | * | * | trans | -105.6 | 117.8 | 166.2 | -129.2 | 177.2 | -176.5 | -179.4 | 0 | 107.2 | Q401 | Q401-K403 PolarHBondContact O-N 3.11Š| ||
| 404 | G | 37.2 | Very low | 41.1 | Very low | 68 Ų | 68 | 163.5 Ų | 163.5 | 70% | 0.701 | 87% | 0.865 | S | S | * | * | trans | -73.7 | 156.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 405 | P | 51.3 | Low | 41.1 | Very low | 134 Ų | 134 | 159.8 Ų | 159.8 | 87% | 0.87 | 87% | 0.872 | S | S | * | * | trans | -86.5 | 146.3 | -178.5 | 32.2 | -27.1 | 0 | 0 | 0 | 112.4 | ||||
| 406 | L | 39.3 | Very low | 40.9 | Very low | 250 Ų | 250 | 158.3 Ų | 158.3 | 100% | 1.309 | 88% | 0.876 | S | S | * | * | trans | -73.6 | 0 | 164.9 | -86.7 | 156.5 | 0 | 0 | 0 | 111.1 |
Retrieved 406 of 406 residues in 173.5 ms
(Link to these results)