| 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 | 33.9 | Very low | 38.1 | Very low | 249 Ų | 249 | 147.3 Ų | 147.3 | 100% | 1.227 | 82% | 0.82 | S | S | * | * | 0 | 123.1 | 0 | -169.9 | 165.4 | 174.2 | 0 | 0 | 106.5 | |||||
| 2 | M | 29.4 | Very low | 38.9 | Very low | 187 Ų | 187 | 148 Ų | 148 | 92% | 0.921 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 138 | -173.4 | -67.4 | -94.2 | -82.6 | 0 | 0 | 109.9 | ||
| 3 | A | 36.6 | Very low | 39.4 | Very low | 104 Ų | 104 | 147.2 Ų | 147.2 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 123.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 4 | Q | 38.5 | Very low | 40.1 | Very low | 198 Ų | 198 | 142.7 Ų | 142.7 | 93% | 0.925 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 137.8 | 165.2 | -81.9 | -178.7 | -41.2 | 0 | 0 | 109.7 | ||
| 5 | K | 37 | Very low | 40.9 | Very low | 204 Ų | 204 | 135.8 Ų | 135.8 | 89% | 0.887 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -101.3 | 128.1 | 177.1 | -155.6 | 177.1 | -174.1 | -176.4 | 0 | 107.9 | Q7 | K5-Q7 PolarHBondContact O-N 3.13Š|
| 6 | S | 36 | Very low | 41.6 | Very low | 121 Ų | 121 | 134.9 Ų | 134.9 | 85% | 0.846 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 125.9 | -175.5 | 36.1 | 0 | 0 | 0 | 0 | 112 | ||
| 7 | Q | 43.3 | Very low | 42.4 | Very low | 175 Ų | 175 | 132.2 Ų | 132.2 | 82% | 0.818 | 72% | 0.721 | S | S | * | * | trans | -90.9 | 115 | 168.4 | -69.5 | 178.9 | -96.4 | 0 | 0 | 109.1 | K5 | K5-Q7 PolarHBondContact O-N 3.13Š| ||
| 8 | G | 36 | Very low | 43.1 | Very low | 67 Ų | 67 | 130.1 Ų | 130.1 | 69% | 0.691 | 70% | 0.704 | S | S | * | * | trans | -140.6 | -19 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 9 | S | 42.3 | Very low | 43.9 | Very low | 95 Ų | 95 | 126.7 Ų | 126.7 | 66% | 0.664 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -85.2 | -24.6 | -171.2 | -160.7 | 0 | 0 | 0 | 0 | 114.7 | N11 | S9-N11 PolarHBondContact O-N 3.45Š|
| 10 | D | 42 | Very low | 44.8 | Very low | 99 Ų | 99 | 126.1 Ų | 126.1 | 53% | 0.529 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -74.4 | -31.5 | -161.3 | -50.8 | -42 | 0 | 0 | 0 | 113.5 | L12 E14 | D10-L12 PolarHBondContact O-N 3.23Å; D10-E14 PolarHBondContact O-N 3.3Å |
| 11 | N | 44.3 | Very low | 45.7 | Very low | 121 Ų | 121 | 125.4 Ų | 125.4 | 65% | 0.647 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -69.1 | -35.4 | -171.6 | -77.7 | -81.6 | 0 | 0 | 0 | 114 | S9 G15 | S9-N11 PolarHBondContact O-N 3.45Å; N11-G15 PolarHBondContact O-N 2.84Å; N11-G15 VanDerWaalsContact O-N 3.11Å |
| 12 | L | 47.6 | Very low | 46.8 | Very low | 156 Ų | 156 | 117.9 Ų | 117.9 | 82% | 0.817 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -69.4 | -41.6 | -175.4 | -150.5 | 80.9 | 0 | 0 | 0 | 111.2 | D10 G15 Q16 | D10-L12 PolarHBondContact O-N 3.23Å; L12-G15 PolarHBondContact O-N 3.16Å; L12-Q16 PolarHBondContact O-N 3.43Å |
| 13 | Q | 46 | Very low | 48.3 | Very low | 137 Ų | 137 | 113.8 Ų | 113.8 | 64% | 0.64 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -71.5 | -37.7 | 178.6 | -170.8 | 162.4 | -17.4 | 0 | 0 | 111.6 | G15 Q16 E17 | Q13-G15 VanDerWaalsContact C-N 3.32Å; Q13-G15 PolarHBondContact O-N 3.36Å; Q13-Q16 PolarHBondContact O-N 2.95Å; Q13-E17 PolarHBondContact O-N 3.29Å |
| 14 | E | 48.6 | Very low | 48.9 | Very low | 85 Ų | 85 | 114.5 Ų | 114.5 | 40% | 0.397 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -62.6 | -38 | 174.3 | -154.8 | -152.5 | 174.8 | 0 | 0 | 112 | D10 E17 K18 | D10-E14 PolarHBondContact O-N 3.3Å; E14-E17 PolarHBondContact O-N 3.35Å; E14-K18 HydrophobicContact CG-CD 4.45Å; E14-K18 WeakPolarHBondContact O-CB 3.37Å; E14-K18 WeakPolarHBondContact O-CD 3.37Å; E14-K18 VanDerWaalsContact O-CG 3.24Å; E14-K18 WeakPolarHBondContact O-CG 3.35Å; E14-K18 PolarHBondContact O-N 3.46Å; E14-K18 WeakPolarHBondContact OE1-CE 3.43Å; E14-K18 IonicContact OE1-NZ 2.68Å; E14-K18 PolarHBondContact OE1-NZ 3.11Å; E14-K18 IonicContact OE2-NZ 3.59Å; E14-K18 PolarHBondContact OE2-NZ 3.35Å |
| 15 | G | 52.3 | Low | 49.3 | Very low | 39 Ų | 39 | 110.6 Ų | 110.6 | 40% | 0.402 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -62.3 | -44.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113 | N11 L12 Q13 K18 S19 | N11-G15 PolarHBondContact O-N 2.84Å; N11-G15 VanDerWaalsContact O-N 3.11Å; L12-G15 PolarHBondContact O-N 3.16Å; Q13-G15 VanDerWaalsContact C-N 3.32Å; Q13-G15 PolarHBondContact O-N 3.36Å; G15-K18 PolarHBondContact O-N 2.73Å; G15-S19 PolarHBondContact O-N 3.33Å |
| 16 | Q | 51.2 | Low | 49.6 | Very low | 122 Ų | 122 | 104.9 Ų | 104.9 | 57% | 0.57 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -68.8 | -36.2 | 178.6 | -142.1 | -162.6 | 57.2 | 0 | 0 | 112.3 | L12 Q13 K20 | L12-Q16 PolarHBondContact O-N 3.43Å; Q13-Q16 PolarHBondContact O-N 2.95Å; Q16-K20 WeakPolarHBondContact O-CD 3.22Å; Q16-K20 WeakPolarHBondContact O-CG 3.48Å; Q16-K20 PolarHBondContact O-N 2.87Å; Q16-K20 VanDerWaalsContact O-N 3.13Å |
| 17 | E | 55.7 | Low | 50.2 | Low | 88 Ų | 88 | 102.6 Ų | 102.6 | 41% | 0.411 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68.5 | -37 | 171.4 | -72.1 | -152.5 | 139.3 | 0 | 0 | 113.1 | Q13 E14 K20 R21 | Q13-E17 PolarHBondContact O-N 3.29Å; E14-E17 PolarHBondContact O-N 3.35Å; E17-K20 PolarHBondContact O-N 3.3Å; E17-R21 VanDerWaalsContact CB-NH2 3.29Å; E17-R21 WeakPolarHBondContact O-CB 3.29Å; E17-R21 WeakPolarHBondContact O-CG 3.33Å; E17-R21 PolarHBondContact O-N 3.03Å; E17-R21 IonicContact OE1-NH1 3.86Å; E17-R21 IonicContact OE2-CZ 3.22Å; E17-R21 IonicContact OE2-NH1 3.82Å; E17-R21 PolarHBondContact OE2-NH1 3Å; E17-R21 IonicContact OE2-NH2 2.73Å; E17-R21 PolarHBondContact OE2-NH2 3.18Å |
| 18 | K | 55.9 | Low | 50.3 | Low | 95 Ų | 95 | 101.3 Ų | 101.3 | 41% | 0.413 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -59.9 | -47.2 | 174.3 | -79.4 | 164.5 | 178.9 | 166.3 | 0 | 110.6 | E14 G15 K20 R21 E22 | E14-K18 HydrophobicContact CG-CD 4.45Å; E14-K18 WeakPolarHBondContact O-CB 3.37Å; E14-K18 WeakPolarHBondContact O-CD 3.37Å; E14-K18 VanDerWaalsContact O-CG 3.24Å; E14-K18 WeakPolarHBondContact O-CG 3.35Å; E14-K18 PolarHBondContact O-N 3.46Å; E14-K18 WeakPolarHBondContact OE1-CE 3.43Å; E14-K18 IonicContact OE1-NZ 2.68Å; E14-K18 PolarHBondContact OE1-NZ 3.11Å; E14-K18 IonicContact OE2-NZ 3.59Å; E14-K18 PolarHBondContact OE2-NZ 3.35Å; G15-K18 PolarHBondContact O-N 2.73Å; K18-K20 PolarHBondContact O-N 2.92Å; K18-R21 PolarHBondContact O-N 3.49Å; K18-E22 PolarHBondContact O-N 2.89Å |
| 19 | S | 57.8 | Low | 50.6 | Low | 66 Ų | 66 | 102 Ų | 102 | 46% | 0.462 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -55.3 | -51.4 | 173.3 | 177.5 | 0 | 0 | 0 | 0 | 112.1 | G15 R21 E22 I23 | G15-S19 PolarHBondContact O-N 3.33Å; S19-R21 VanDerWaalsContact C-N 3.31Å; S19-R21 PolarHBondContact O-N 3.09Å; S19-E22 PolarHBondContact O-N 3Å; S19-I23 WeakPolarHBondContact O-CG1 3.46Å; S19-I23 PolarHBondContact O-N 3.22Å |
| 20 | K | 62 | Low | 50.7 | Low | 114 Ų | 114 | 101.1 Ų | 101.1 | 50% | 0.496 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -58.2 | -39.5 | 176.4 | -71.3 | 163.9 | 176.9 | 168.6 | 0 | 112.5 | Q16 E17 K18 L24 | Q16-K20 WeakPolarHBondContact O-CD 3.22Å; Q16-K20 WeakPolarHBondContact O-CG 3.48Å; Q16-K20 PolarHBondContact O-N 2.87Å; Q16-K20 VanDerWaalsContact O-N 3.13Å; E17-K20 PolarHBondContact O-N 3.3Å; K18-K20 PolarHBondContact O-N 2.92Å; K20-L24 VanDerWaalsContact O-CG 3.28Å; K20-L24 WeakPolarHBondContact O-CG 2.93Å; K20-L24 PolarHBondContact O-N 3.47Å; K20-L24 VanDerWaalsContact O-N 3.13Å |
| 21 | R | 63.9 | Low | 50.5 | Low | 112 Ų | 112 | 106.1 Ų | 106.1 | 42% | 0.423 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -70.8 | -36.5 | 177.7 | -77.4 | -171.3 | -82.9 | -98.5 | 4.8 | 113.3 | E17 K18 S19 K25 | E17-R21 VanDerWaalsContact CB-NH2 3.29Å; E17-R21 WeakPolarHBondContact O-CB 3.29Å; E17-R21 WeakPolarHBondContact O-CG 3.33Å; E17-R21 PolarHBondContact O-N 3.03Å; E17-R21 IonicContact OE1-NH1 3.86Å; E17-R21 IonicContact OE2-CZ 3.22Å; E17-R21 IonicContact OE2-NH1 3.82Å; E17-R21 PolarHBondContact OE2-NH1 3Å; E17-R21 IonicContact OE2-NH2 2.73Å; E17-R21 PolarHBondContact OE2-NH2 3.18Å; K18-R21 PolarHBondContact O-N 3.49Å; S19-R21 VanDerWaalsContact C-N 3.31Å; S19-R21 PolarHBondContact O-N 3.09Å; R21-K25 WeakPolarHBondContact O-CG 3.42Å; R21-K25 PolarHBondContact O-N 2.78Å; R21-K25 VanDerWaalsContact O-N 3.08Å |
| 22 | E | 55.5 | Low | 50 | Low | 91 Ų | 91 | 105.6 Ų | 105.6 | 43% | 0.425 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -70.8 | -39.8 | 173.6 | -61.2 | -40.4 | 122.6 | 0 | 0 | 112.1 | K18 S19 L24 K25 C26 | K18-E22 PolarHBondContact O-N 2.89Å; S19-E22 PolarHBondContact O-N 3Å; E22-L24 VanDerWaalsContact C-N 3.31Å; E22-L24 PolarHBondContact O-N 2.93Å; E22-K25 WeakPolarHBondContact O-CB 3.36Å; E22-K25 PolarHBondContact O-N 2.92Å; E22-K25 VanDerWaalsContact O-N 3.13Å; E22-K25 IonicContact OE1-NZ 3.53Å; E22-K25 PolarHBondContact OE1-NZ 3.15Å; E22-K25 WeakPolarHBondContact OE2-CD 3.2Å; E22-K25 IonicContact OE2-NZ 3.67Å; E22-K25 PolarHBondContact OE2-NZ 2.91Å; E22-C26 PolarHBondContact O-N 3.18Å; E22-C26 PolarHBondContact O-SG 3.23Å; E22-C26 VanDerWaalsContact O-SG 3.41Å |
| 23 | I | 60.8 | Low | 49.5 | Very low | 101 Ų | 101 | 103.4 Ų | 103.4 | 52% | 0.518 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -57.4 | -46.2 | 173.7 | -67.5 | 164.4 | 0 | 0 | 0 | 110.5 | S19 K25 C26 T27 | S19-I23 WeakPolarHBondContact O-CG1 3.46Å; S19-I23 PolarHBondContact O-N 3.22Å; I23-K25 VanDerWaalsContact C-N 3.34Å; I23-K25 PolarHBondContact O-N 2.99Å; I23-C26 PolarHBondContact O-N 3.45Å; I23-T27 PolarHBondContact O-N 2.89Å; I23-T27 PolarHBondContact O-OG1 3.29Å; I23-T27 VanDerWaalsContact O-OG1 3.1Å |
| 24 | L | 50.8 | Low | 49 | Very low | 118 Ų | 118 | 105.6 Ų | 105.6 | 62% | 0.618 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.4 | -34.2 | 177.3 | -72 | 168.8 | 0 | 0 | 0 | 113.2 | K20 E22 T27 K28 | K20-L24 VanDerWaalsContact O-CG 3.28Å; K20-L24 WeakPolarHBondContact O-CG 2.93Å; K20-L24 PolarHBondContact O-N 3.47Å; K20-L24 VanDerWaalsContact O-N 3.13Å; E22-L24 VanDerWaalsContact C-N 3.31Å; E22-L24 PolarHBondContact O-N 2.93Å; L24-T27 WeakPolarHBondContact CA-OG1 3.49Å; L24-T27 PolarHBondContact O-OG1 3.39Å; L24-K28 WeakPolarHBondContact O-CB 3.34Å; L24-K28 PolarHBondContact O-N 2.71Å |
| 25 | K | 45.6 | Very low | 48.4 | Very low | 116 Ų | 116 | 108.3 Ų | 108.3 | 50% | 0.504 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -68 | -47.4 | 172.4 | -75.4 | 161.5 | 167.1 | -179.7 | 0 | 111.9 | R21 E22 I23 T27 K28 S29 | R21-K25 WeakPolarHBondContact O-CG 3.42Å; R21-K25 PolarHBondContact O-N 2.78Å; R21-K25 VanDerWaalsContact O-N 3.08Å; E22-K25 WeakPolarHBondContact O-CB 3.36Å; E22-K25 PolarHBondContact O-N 2.92Å; E22-K25 VanDerWaalsContact O-N 3.13Å; E22-K25 IonicContact OE1-NZ 3.53Å; E22-K25 PolarHBondContact OE1-NZ 3.15Å; E22-K25 WeakPolarHBondContact OE2-CD 3.2Å; E22-K25 IonicContact OE2-NZ 3.67Å; E22-K25 PolarHBondContact OE2-NZ 2.91Å; I23-K25 VanDerWaalsContact C-N 3.34Å; I23-K25 PolarHBondContact O-N 2.99Å; K25-T27 VanDerWaalsContact C-N 3.31Å; K25-T27 PolarHBondContact O-N 2.93Å; K25-K28 WeakPolarHBondContact O-CA 3.4Å; K25-K28 WeakPolarHBondContact O-CB 3.2Å; K25-K28 PolarHBondContact O-N 2.94Å; K25-S29 PolarHBondContact O-N 3.45Å; K25-S29 PolarHBondContact O-OG 2.88Å |
| 26 | C | 43.6 | Very low | 47.9 | Very low | 85 Ų | 85 | 115 Ų | 115 | 57% | 0.574 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -60.1 | -41.1 | 179 | -71.3 | 0 | 0 | 0 | 0 | 111.7 | E22 I23 S29 A30 | E22-C26 PolarHBondContact O-N 3.18Å; E22-C26 PolarHBondContact O-SG 3.23Å; E22-C26 VanDerWaalsContact O-SG 3.41Å; I23-C26 PolarHBondContact O-N 3.45Å; C26-S29 WeakPolarHBondContact CA-OG 3.41Å; C26-S29 PolarHBondContact O-OG 3.42Å; C26-A30 PolarHBondContact O-N 2.96Å |
| 27 | T | 48.3 | Very low | 46.9 | Very low | 73 Ų | 73 | 120.5 Ų | 120.5 | 45% | 0.448 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -65.3 | -37.1 | 171.1 | 47 | 0 | 0 | 0 | 0 | 112.4 | I23 L24 K25 A30 | I23-T27 PolarHBondContact O-N 2.89Å; I23-T27 PolarHBondContact O-OG1 3.29Å; I23-T27 VanDerWaalsContact O-OG1 3.1Å; L24-T27 WeakPolarHBondContact CA-OG1 3.49Å; L24-T27 PolarHBondContact O-OG1 3.39Å; K25-T27 VanDerWaalsContact C-N 3.31Å; K25-T27 PolarHBondContact O-N 2.93Å; T27-A30 WeakPolarHBondContact O-CB 3.42Å; T27-A30 PolarHBondContact O-N 3.16Å |
| 28 | K | 46.6 | Very low | 46 | Very low | 148 Ų | 148 | 124.7 Ų | 124.7 | 64% | 0.643 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -62.7 | -45.8 | 177 | -175 | -176.3 | 173.2 | -172.2 | 0 | 111.8 | L24 K25 A30 W31 | L24-K28 WeakPolarHBondContact O-CB 3.34Å; L24-K28 PolarHBondContact O-N 2.71Å; K25-K28 WeakPolarHBondContact O-CA 3.4Å; K25-K28 WeakPolarHBondContact O-CB 3.2Å; K25-K28 PolarHBondContact O-N 2.94Å; K28-A30 PolarHBondContact O-N 3.02Å; K28-A30 VanDerWaalsContact O-N 3.15Å; K28-W31 PolarHBondContact O-N 2.86Å |
| 29 | S | 42.1 | Very low | 44.9 | Very low | 81 Ų | 81 | 124.9 Ų | 124.9 | 57% | 0.566 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -65.2 | -13.1 | 177.8 | 46.3 | 0 | 0 | 0 | 0 | 114.3 | K25 C26 W31 | K25-S29 PolarHBondContact O-N 3.45Å; K25-S29 PolarHBondContact O-OG 2.88Å; C26-S29 WeakPolarHBondContact CA-OG 3.41Å; C26-S29 PolarHBondContact O-OG 3.42Å; S29-W31 VanDerWaalsContact C-N 3.32Å |
| 30 | A | 43.7 | Very low | 43.7 | Very low | 77 Ų | 77 | 127.9 Ų | 127.9 | 64% | 0.636 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -2.6 | 173 | 0 | 0 | 0 | 0 | 0 | 113.7 | C26 T27 K28 | C26-A30 PolarHBondContact O-N 2.96Å; T27-A30 WeakPolarHBondContact O-CB 3.42Å; T27-A30 PolarHBondContact O-N 3.16Å; K28-A30 PolarHBondContact O-N 3.02Å; K28-A30 VanDerWaalsContact O-N 3.15Å |
| 31 | W | 37.2 | Very low | 42 | Very low | 203 Ų | 203 | 129.7 Ų | 129.7 | 77% | 0.769 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -122.1 | 3.5 | -178.8 | -66.2 | 109.4 | 0 | 0 | 0 | 114.5 | K28 S29 | K28-W31 PolarHBondContact O-N 2.86Å; S29-W31 VanDerWaalsContact C-N 3.32Å |
| 32 | D | 35.6 | Very low | 41.5 | Very low | 110 Ų | 110 | 129.1 Ų | 129.1 | 59% | 0.588 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -71.2 | 130.1 | 170.7 | -75.6 | -44.6 | 0 | 0 | 0 | 109.6 | L34 | D32-L34 PolarHBondContact O-N 3.45Š|
| 33 | P | 36.4 | Very low | 40.2 | Very low | 111 Ų | 111 | 134 Ų | 134 | 72% | 0.721 | 71% | 0.705 | S | S | * | * | trans | -69 | 121.9 | -174.3 | -21 | 33.2 | 0 | 0 | 0 | 113.1 | D35 | P33-D35 PolarHBondContact O-N 2.84Å; P33-D35 VanDerWaalsContact O-N 3.12Å | ||
| 34 | L | 34.6 | Very low | 38.9 | Very low | 182 Ų | 182 | 138.1 Ų | 138.1 | 95% | 0.953 | 72% | 0.722 | S | S | * | * | trans | -85.8 | 63.9 | 170.2 | -146.8 | 83.6 | 0 | 0 | 0 | 110.8 | D32 | D32-L34 PolarHBondContact O-N 3.45Š| ||
| 35 | D | 36.1 | Very low | 37.8 | Very low | 143 Ų | 143 | 140.5 Ų | 140.5 | 77% | 0.765 | 73% | 0.73 | S | S | * | * | trans | -77.3 | 154.9 | 166.5 | -103.7 | -43.5 | 0 | 0 | 0 | 110.6 | P33 | P33-D35 PolarHBondContact O-N 2.84Å; P33-D35 VanDerWaalsContact O-N 3.12Å | ||
| 36 | E | 42.8 | Very low | 37 | Very low | 178 Ų | 178 | 139.8 Ų | 139.8 | 83% | 0.832 | 74% | 0.74 | S | S | * | * | trans | 56.5 | 90.7 | -175.2 | -61.1 | -164.9 | 125.5 | 0 | 0 | 116.2 | ||||
| 37 | W | 29.5 | Very low | 36.3 | Very low | 239 Ų | 239 | 144.1 Ų | 144.1 | 91% | 0.905 | 75% | 0.752 | S | S | * | * | -167.5 | 118.6 | 108.3 | -111.7 | 57.9 | 0 | 0 | 0 | 110.9 | |||||
| 38 | L | 36.4 | Very low | 35.2 | Very low | 175 Ų | 175 | 145.3 Ų | 145.3 | 92% | 0.916 | 76% | 0.763 | S | S | * | * | trans | -111 | 112.6 | 172.9 | -84.4 | 169.6 | 0 | 0 | 0 | 110.4 | ||||
| 39 | P | 33.4 | Very low | 34.3 | Very low | 99 Ų | 99 | 146.9 Ų | 146.9 | 64% | 0.643 | 78% | 0.777 | S | S | * | * | trans | -79.6 | 158.6 | 156.7 | -9.6 | 28.3 | 0 | 0 | 0 | 111.1 | ||||
| 40 | P | 33.1 | Very low | 33.6 | Very low | 130 Ų | 130 | 148.7 Ų | 148.7 | 84% | 0.844 | 79% | 0.785 | S | S | * | * | trans | -83.8 | 166.6 | 179.7 | 35.6 | -36.5 | 0 | 0 | 0 | 113.5 | ||||
| 41 | D | 25.4 | Very low | 32.9 | Very low | 151 Ų | 151 | 152.6 Ų | 152.6 | 81% | 0.807 | 79% | 0.794 | S | S | * | * | trans | -148.1 | 152.3 | -179.1 | -173.5 | 62.4 | 0 | 0 | 0 | 108.3 | ||||
| 42 | P | 53.7 | Low | 32.7 | Very low | 101 Ų | 101 | 148.8 Ų | 148.8 | 66% | 0.656 | 80% | 0.795 | S | S | * | * | cis | -119.2 | 173.2 | -25.2 | 30.3 | -13.5 | 0 | 0 | 0 | 112.8 | ||||
| 43 | E | 28.1 | Very low | 32.5 | Very low | 194 Ų | 194 | 149.7 Ų | 149.7 | 91% | 0.907 | 80% | 0.797 | S | S | * | * | trans | -138.5 | 154.3 | 148 | -77.8 | -161.3 | 159.1 | 0 | 0 | 110.6 | ||||
| 44 | E | 33.3 | Very low | 32.6 | Very low | 186 Ų | 186 | 152.4 Ų | 152.4 | 87% | 0.869 | 81% | 0.805 | S | S | * | * | trans | -81.1 | 172.8 | -172.6 | -52.4 | 174.8 | 115.6 | 0 | 0 | 111.3 | ||||
| 45 | E | 28.3 | Very low | 32.9 | Very low | 169 Ų | 169 | 149.5 Ų | 149.5 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | cis | -157 | 164.8 | 27.5 | -65.2 | -179.5 | 97 | 0 | 0 | 111.7 | ||||
| 46 | S | 29.2 | Very low | 33.2 | Very low | 101 Ų | 101 | 147.6 Ų | 147.6 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | trans | 70 | 144.7 | 150.7 | 79.7 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 47 | Q | 28.3 | Very low | 33.2 | Very low | 176 Ų | 176 | 143.8 Ų | 143.8 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | cis | -153.4 | 128.3 | -3.3 | -127.5 | 162.7 | 45.5 | 0 | 0 | 112 | ||||
| 48 | S | 26.3 | Very low | 33.8 | Very low | 97 Ų | 97 | 140.4 Ų | 140.4 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | trans | 22.3 | 122.7 | 154.6 | 61 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 49 | L | 26.5 | Very low | 34.3 | Very low | 181 Ų | 181 | 138.8 Ų | 138.8 | 95% | 0.948 | 75% | 0.749 | S | S | * | * | -150.8 | 127.9 | 124 | -115.7 | 167.3 | 0 | 0 | 0 | 109.6 | |||||
| 50 | T | 28.4 | Very low | 34.7 | Very low | 119 Ų | 119 | 140.3 Ų | 140.3 | 73% | 0.73 | 75% | 0.747 | S | S | * | * | trans | -126.6 | 138.1 | -165.3 | -50.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 51 | I | 27.4 | Very low | 35.2 | Very low | 160 Ų | 160 | 137.6 Ų | 137.6 | 82% | 0.821 | 73% | 0.732 | S | S | * | * | trans | -125.4 | 133.3 | 164.4 | -61 | 178.7 | 0 | 0 | 0 | 106.3 | ||||
| 52 | P | 34.8 | Very low | 36.3 | Very low | 123 Ų | 123 | 135.2 Ų | 135.2 | 80% | 0.799 | 72% | 0.718 | S | S | * | * | trans | -79.6 | 161.2 | -165.2 | 31.3 | -36.5 | 0 | 0 | 0 | 114.8 | ||||
| 53 | M | 30.2 | Very low | 35.8 | Very low | 128 Ų | 128 | 135 Ų | 135 | 63% | 0.631 | 71% | 0.708 | S | S | * | * | trans | -82.5 | 161.8 | -174.1 | -62.9 | -118.6 | 64 | 0 | 0 | 114.4 | E55 | M53-E55 HydrophobicContact CE-CB 3.98Å; M53-E55 HydrophobicContact CE-CG 4.17Å; M53-E55 VanDerWaalsContact CE-OE2 3.28Å; M53-E55 WeakPolarHBondContact CE-OE2 3.42Å | ||
| 54 | L | 37.8 | Very low | 36.5 | Very low | 168 Ų | 168 | 132.4 Ų | 132.4 | 88% | 0.88 | 70% | 0.696 | S | S | * | * | trans | -140.5 | 39.8 | 159.9 | -165.8 | 64.6 | 0 | 0 | 0 | 111.1 | ||||
| 55 | E | 41.4 | Very low | 36.9 | Very low | 121 Ų | 121 | 133.3 Ų | 133.3 | 57% | 0.565 | 69% | 0.691 | S | S | * | * | trans | -99.7 | -21.7 | -175.1 | -110.1 | 62.9 | -140.4 | 0 | 0 | 114 | M53 S57 K58 | M53-E55 HydrophobicContact CE-CB 3.98Å; M53-E55 HydrophobicContact CE-CG 4.17Å; M53-E55 VanDerWaalsContact CE-OE2 3.28Å; M53-E55 WeakPolarHBondContact CE-OE2 3.42Å; E55-S57 VanDerWaalsContact C-N 3.29Å; E55-S57 PolarHBondContact O-N 3.23Å; E55-S57 VanDerWaalsContact O-N 3.11Å; E55-K58 PolarHBondContact O-N 2.74Å; E55-K58 VanDerWaalsContact O-N 3.12Å | ||
| 56 | D | 42.7 | Very low | 37.7 | Very low | 103 Ų | 103 | 130.9 Ų | 130.9 | 55% | 0.551 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -59.5 | -34.7 | -160.2 | -55.2 | -49.6 | 0 | 0 | 0 | 114 | K58 Q59 E60 | D56-K58 PolarHBondContact O-N 3.45Å; D56-K58 VanDerWaalsContact O-N 3.14Å; D56-Q59 PolarHBondContact O-N 3.28Å; D56-E60 PolarHBondContact O-N 3.48Å |
| 57 | S | 42.9 | Very low | 38.2 | Very low | 99 Ų | 99 | 131.7 Ų | 131.7 | 69% | 0.692 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -58.9 | -27.4 | -179.6 | 175 | 0 | 0 | 0 | 0 | 114.1 | E55 | E55-S57 VanDerWaalsContact C-N 3.29Å; E55-S57 PolarHBondContact O-N 3.23Å; E55-S57 VanDerWaalsContact O-N 3.11Å |
| 58 | K | 43.3 | Very low | 39 | Very low | 168 Ų | 168 | 127 Ų | 127 | 73% | 0.73 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -84.9 | -33.5 | 175.7 | -74.6 | 178.8 | 179.2 | 170 | 0 | 111.9 | E55 D56 I62 | E55-K58 PolarHBondContact O-N 2.74Å; E55-K58 VanDerWaalsContact O-N 3.12Å; D56-K58 PolarHBondContact O-N 3.45Å; D56-K58 VanDerWaalsContact O-N 3.14Å; K58-I62 WeakPolarHBondContact O-CG1 3.5Å; K58-I62 PolarHBondContact O-N 3.41Å |
| 59 | Q | 45.3 | Very low | 39.8 | Very low | 140 Ų | 140 | 124.8 Ų | 124.8 | 65% | 0.654 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -69.8 | -45.8 | -179.7 | -160.4 | 76.1 | -15.5 | 0 | 0 | 111.1 | D56 S61 I62 Q63 | D56-Q59 PolarHBondContact O-N 3.28Å; Q59-S61 VanDerWaalsContact C-N 3.35Å; Q59-S61 PolarHBondContact O-N 3.37Å; Q59-I62 PolarHBondContact O-N 2.89Å; Q59-Q63 PolarHBondContact O-N 2.71Å |
| 60 | E | 42.5 | Very low | 40.4 | Very low | 131 Ų | 131 | 125.3 Ų | 125.3 | 61% | 0.612 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -63.3 | -38.6 | 176.4 | -70.8 | -165.7 | 128.2 | 0 | 0 | 112.4 | D56 I62 Q63 Q64 | D56-E60 PolarHBondContact O-N 3.48Å; E60-I62 VanDerWaalsContact C-N 3.3Å; E60-I62 PolarHBondContact O-N 2.97Å; E60-Q63 PolarHBondContact O-N 3.41Å; E60-Q64 WeakPolarHBondContact O-CB 3.28Å; E60-Q64 WeakPolarHBondContact O-CG 3.21Å; E60-Q64 PolarHBondContact O-N 3.22Å |
| 61 | S | 43.8 | Very low | 40.9 | Very low | 74 Ų | 74 | 129.5 Ų | 129.5 | 52% | 0.517 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -64 | -34.5 | 177.7 | -175.1 | 0 | 0 | 0 | 0 | 112.6 | Q59 W65 | Q59-S61 VanDerWaalsContact C-N 3.35Å; Q59-S61 PolarHBondContact O-N 3.37Å; S61-W65 PolarHBondContact O-N 3.17Å |
| 62 | I | 48.8 | Very low | 41.2 | Very low | 101 Ų | 101 | 128.1 Ų | 128.1 | 52% | 0.518 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -72.7 | -42 | 175 | -67.9 | 166.2 | 0 | 0 | 0 | 110.1 | K58 Q59 E60 W65 L66 | K58-I62 WeakPolarHBondContact O-CG1 3.5Å; K58-I62 PolarHBondContact O-N 3.41Å; Q59-I62 PolarHBondContact O-N 2.89Å; E60-I62 VanDerWaalsContact C-N 3.3Å; E60-I62 PolarHBondContact O-N 2.97Å; I62-W65 WeakPolarHBondContact O-CB 3.46Å; I62-W65 PolarHBondContact O-N 3.46Å; I62-L66 HydrophobicContact CG2-CD1 4.34Å; I62-L66 WeakPolarHBondContact O-CG 3.38Å; I62-L66 PolarHBondContact O-N 2.81Å; I62-L66 VanDerWaalsContact O-N 3.14Å |
| 63 | Q | 42.3 | Very low | 41.4 | Very low | 95 Ų | 95 | 125.8 Ų | 125.8 | 44% | 0.444 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -66.2 | -43.6 | 180 | -170.2 | 56.1 | 46.1 | 0 | 0 | 112.1 | Q59 E60 W65 L66 D67 | Q59-Q63 PolarHBondContact O-N 2.71Å; E60-Q63 PolarHBondContact O-N 3.41Å; Q63-W65 PolarHBondContact O-N 3.17Å; Q63-L66 PolarHBondContact O-N 2.82Å; Q63-L66 VanDerWaalsContact O-N 3.12Å; Q63-D67 WeakPolarHBondContact CG-OD2 3.36Å; Q63-D67 PolarHBondContact NE2-OD1 3.24Å; Q63-D67 VanDerWaalsContact NE2-OD1 3.1Å; Q63-D67 PolarHBondContact NE2-OD2 2.87Å; Q63-D67 PolarHBondContact O-N 3.2Å |
| 64 | Q | 42.2 | Very low | 41.7 | Very low | 141 Ų | 141 | 123 Ų | 123 | 66% | 0.659 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -59.1 | -32.2 | 172.5 | -74.6 | -175.7 | 2.2 | 0 | 0 | 112.8 | E60 S68 | E60-Q64 WeakPolarHBondContact O-CB 3.28Å; E60-Q64 WeakPolarHBondContact O-CG 3.21Å; E60-Q64 PolarHBondContact O-N 3.22Å; Q64-S68 WeakPolarHBondContact O-CB 3.24Å; Q64-S68 PolarHBondContact O-N 3.15Å; Q64-S68 VanDerWaalsContact O-N 3.14Å |
| 65 | W | 42.6 | Very low | 42 | Very low | 204 Ų | 204 | 121.9 Ų | 121.9 | 77% | 0.773 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -71.1 | -36.7 | 176.7 | -140.5 | 81.9 | 0 | 0 | 0 | 112.1 | S61 I62 Q63 S68 | S61-W65 PolarHBondContact O-N 3.17Å; I62-W65 WeakPolarHBondContact O-CB 3.46Å; I62-W65 PolarHBondContact O-N 3.46Å; Q63-W65 PolarHBondContact O-N 3.17Å; W65-S68 PolarHBondContact O-OG 2.75Å |
| 66 | L | 45.4 | Very low | 41.9 | Very low | 118 Ų | 118 | 123.5 Ų | 123.5 | 62% | 0.618 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -71.1 | -41.8 | 174.6 | -66 | 170.6 | 0 | 0 | 0 | 112 | I62 Q63 S68 | I62-L66 HydrophobicContact CG2-CD1 4.34Å; I62-L66 WeakPolarHBondContact O-CG 3.38Å; I62-L66 PolarHBondContact O-N 2.81Å; I62-L66 VanDerWaalsContact O-N 3.14Å; Q63-L66 PolarHBondContact O-N 2.82Å; Q63-L66 VanDerWaalsContact O-N 3.12Å; L66-S68 PolarHBondContact O-N 2.97Å |
| 67 | D | 39.4 | Very low | 41.8 | Very low | 118 Ų | 118 | 123.5 Ų | 123.5 | 63% | 0.631 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -77.6 | -7.3 | -179.2 | -64.8 | -31.2 | 0 | 0 | 0 | 113.3 | Q63 G69 | Q63-D67 WeakPolarHBondContact CG-OD2 3.36Å; Q63-D67 PolarHBondContact NE2-OD1 3.24Å; Q63-D67 VanDerWaalsContact NE2-OD1 3.1Å; Q63-D67 PolarHBondContact NE2-OD2 2.87Å; Q63-D67 PolarHBondContact O-N 3.2Å; D67-G69 PolarHBondContact O-N 3.09Å; D67-G69 VanDerWaalsContact O-N 3.15Å |
| 68 | S | 45.5 | Very low | 41.5 | Very low | 77 Ų | 77 | 125.6 Ų | 125.6 | 54% | 0.538 | 65% | 0.645 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.7 | -3.3 | 178.5 | 74.2 | 0 | 0 | 0 | 0 | 115.1 | Q64 W65 L66 F70 | Q64-S68 WeakPolarHBondContact O-CB 3.24Å; Q64-S68 PolarHBondContact O-N 3.15Å; Q64-S68 VanDerWaalsContact O-N 3.14Å; W65-S68 PolarHBondContact O-OG 2.75Å; L66-S68 PolarHBondContact O-N 2.97Å; S68-F70 PolarHBondContact O-N 3.08Å |
| 69 | G | 41.7 | Very low | 41.6 | Very low | 52 Ų | 52 | 123.1 Ų | 123.1 | 54% | 0.536 | 64% | 0.636 | S | S | . | * | trans | 76.3 | 11.2 | 166.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | D67 F71 | D67-G69 PolarHBondContact O-N 3.09Å; D67-G69 VanDerWaalsContact O-N 3.15Å; G69-F71 PolarHBondContact O-N 3.11Å | ||
| 70 | F | 39.6 | Very low | 41.4 | Very low | 191 Ų | 191 | 122.4 Ų | 122.4 | 84% | 0.838 | 63% | 0.633 | S | S | * | * | trans | -73.7 | 27.8 | -178.8 | -156.2 | -101.5 | 0 | 0 | 0 | 114.8 | S68 | S68-F70 PolarHBondContact O-N 3.08Š| ||
| 71 | F | 39.6 | Very low | 41.4 | Very low | 208 Ų | 208 | 119.9 Ų | 119.9 | 91% | 0.912 | 63% | 0.626 | S | S | * | * | trans | -124.6 | 68.2 | 172.9 | -94.3 | -83.2 | 0 | 0 | 0 | 111 | G69 | G69-F71 PolarHBondContact O-N 3.11Š| ||
| 72 | V | 34.3 | Very low | 41.7 | Very low | 130 Ų | 130 | 120.4 Ų | 120.4 | 79% | 0.788 | 62% | 0.622 | S | S | * | * | trans | -74.1 | 137.1 | 163.1 | 177.7 | 0 | 0 | 0 | 0 | 108.7 | A74 | V72-A74 PolarHBondContact O-N 3.11Š| ||
| 73 | S | 38.4 | Very low | 41.1 | Very low | 74 Ų | 74 | 120.1 Ų | 120.1 | 52% | 0.517 | 62% | 0.622 | S | S | . | * | trans | -50.2 | 107.4 | -171.2 | -177.1 | 0 | 0 | 0 | 0 | 113.9 | N75 | S73-N75 PolarHBondContact O-N 3.45Å; S73-N75 PolarHBondContact OG-N 3.31Å | ||
| 74 | A | 37.1 | Very low | 40.9 | Very low | 71 Ų | 71 | 124 Ų | 124 | 59% | 0.587 | 63% | 0.632 | S | S | * | * | trans | -83.2 | 7.9 | 170 | 0 | 0 | 0 | 0 | 0 | 112.9 | V72 F78 | V72-A74 PolarHBondContact O-N 3.11Å; A74-F78 WeakPolarHBondContact O-CD2 3.14Å; A74-F78 VanDerWaalsContact O-CE2 3.3Å; A74-F78 WeakPolarHBondContact O-CE2 3.26Å | ||
| 75 | N | 42.6 | Very low | 40.9 | Very low | 144 Ų | 144 | 121 Ų | 121 | 77% | 0.77 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -94.2 | -18.7 | -171.1 | -165.4 | 63.9 | 0 | 0 | 0 | 114.5 | S73 | S73-N75 PolarHBondContact O-N 3.45Å; S73-N75 PolarHBondContact OG-N 3.31Å |
| 76 | E | 40.7 | Very low | 40.9 | Very low | 154 Ų | 154 | 115.8 Ų | 115.8 | 72% | 0.72 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -99 | -16.3 | -173.3 | -62.6 | -175.2 | 155.8 | 0 | 0 | 113.9 | ||
| 77 | N | 39 | Very low | 40.7 | Very low | 103 Ų | 103 | 113.3 Ų | 113.3 | 55% | 0.551 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -92 | -27 | -170.6 | -148.7 | -4.7 | 0 | 0 | 0 | 113.7 | Q79 Q80 V81 | N77-Q79 PolarHBondContact O-N 2.89Å; N77-Q80 PolarHBondContact O-N 3.3Å; N77-V81 WeakPolarHBondContact O-CG2 3.5Å; N77-V81 PolarHBondContact O-N 3.36Å; N77-V81 VanDerWaalsContact O-N 3.1Å |
| 78 | F | 38 | Very low | 40.6 | Very low | 143 Ų | 143 | 113.2 Ų | 113.2 | 63% | 0.627 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -62.1 | -43.8 | -176.9 | -79.2 | -76.8 | 0 | 0 | 0 | 113.4 | A74 Q80 V81 I82 | A74-F78 WeakPolarHBondContact O-CD2 3.14Å; A74-F78 VanDerWaalsContact O-CE2 3.3Å; A74-F78 WeakPolarHBondContact O-CE2 3.26Å; F78-Q80 VanDerWaalsContact C-N 3.3Å; F78-Q80 PolarHBondContact O-N 2.95Å; F78-V81 PolarHBondContact O-N 3.43Å; F78-I82 WeakPolarHBondContact O-CG1 3.45Å; F78-I82 PolarHBondContact O-N 2.78Å |
| 79 | Q | 44.1 | Very low | 40.4 | Very low | 117 Ų | 117 | 118.1 Ų | 118.1 | 55% | 0.547 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -61.2 | -41.4 | 177.9 | -167.7 | 63 | 57.4 | 0 | 0 | 111.5 | N77 V81 I82 D83 | N77-Q79 PolarHBondContact O-N 2.89Å; Q79-V81 VanDerWaalsContact C-N 3.28Å; Q79-V81 PolarHBondContact O-N 3.45Å; Q79-I82 PolarHBondContact O-N 2.87Å; Q79-D83 PolarHBondContact NE2-OD1 3.16Å; Q79-D83 PolarHBondContact O-N 3.12Å |
| 80 | Q | 42.7 | Very low | 40.4 | Very low | 125 Ų | 125 | 124.2 Ų | 124.2 | 58% | 0.584 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -72.3 | -20.3 | -178.5 | -154.7 | 174.2 | 111.2 | 0 | 0 | 113.4 | N77 F78 | N77-Q80 PolarHBondContact O-N 3.3Å; F78-Q80 VanDerWaalsContact C-N 3.3Å; F78-Q80 PolarHBondContact O-N 2.95Å |
| 81 | V | 41.5 | Very low | 40.5 | Very low | 77 Ų | 77 | 122.4 Ų | 122.4 | 47% | 0.467 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -78.9 | -43.8 | 168.7 | 171.3 | 0 | 0 | 0 | 0 | 111 | N77 F78 Q79 R84 T85 | N77-V81 WeakPolarHBondContact O-CG2 3.5Å; N77-V81 PolarHBondContact O-N 3.36Å; N77-V81 VanDerWaalsContact O-N 3.1Å; F78-V81 PolarHBondContact O-N 3.43Å; Q79-V81 VanDerWaalsContact C-N 3.28Å; Q79-V81 PolarHBondContact O-N 3.45Å; V81-R84 WeakPolarHBondContact O-CB 3.45Å; V81-R84 PolarHBondContact O-N 2.69Å; V81-T85 PolarHBondContact O-N 3.24Å; V81-T85 PolarHBondContact O-OG1 3.12Å |
| 82 | I | 49.3 | Very low | 40.8 | Very low | 85 Ų | 85 | 115.7 Ų | 115.7 | 44% | 0.436 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -61.1 | -48.4 | 178.2 | -68.7 | 163.5 | 0 | 0 | 0 | 111 | F78 Q79 R84 T85 V86 | F78-I82 WeakPolarHBondContact O-CG1 3.45Å; F78-I82 PolarHBondContact O-N 2.78Å; Q79-I82 PolarHBondContact O-N 2.87Å; I82-R84 PolarHBondContact O-N 3.14Å; I82-T85 PolarHBondContact O-N 2.89Å; I82-T85 PolarHBondContact O-OG1 2.76Å; I82-T85 VanDerWaalsContact O-OG1 3.1Å; I82-V86 HydrophobicContact CG2-CG2 4.48Å; I82-V86 WeakPolarHBondContact O-CG2 3.47Å; I82-V86 PolarHBondContact O-N 3.41Å |
| 83 | D | 37.6 | Very low | 41.1 | Very low | 96 Ų | 96 | 117.1 Ų | 117.1 | 51% | 0.513 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -61.9 | -28.4 | 179.3 | -60.4 | -10.4 | 0 | 0 | 0 | 111.4 | Q79 S87 | Q79-D83 PolarHBondContact NE2-OD1 3.16Å; Q79-D83 PolarHBondContact O-N 3.12Å; D83-S87 PolarHBondContact O-N 2.91Å |
| 84 | R | 37.5 | Very low | 41.6 | Very low | 177 Ų | 177 | 120 Ų | 120 | 67% | 0.668 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -74.9 | -46.5 | 173.9 | -103.7 | 178.3 | 168.6 | 156.4 | -2.3 | 113.2 | V81 I82 V86 S87 L88 | V81-R84 WeakPolarHBondContact O-CB 3.45Å; V81-R84 PolarHBondContact O-N 2.69Å; I82-R84 PolarHBondContact O-N 3.14Å; R84-V86 VanDerWaalsContact C-N 3.32Å; R84-V86 PolarHBondContact O-N 2.9Å; R84-S87 PolarHBondContact O-N 3.21Å; R84-S87 PolarHBondContact O-OG 2.72Å; R84-L88 PolarHBondContact O-N 3.02Å |
| 85 | T | 43 | Very low | 42.1 | Very low | 78 Ų | 78 | 122.9 Ų | 122.9 | 48% | 0.479 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -67.2 | -34.6 | 179.9 | 49.1 | 0 | 0 | 0 | 0 | 112 | V81 I82 L88 | V81-T85 PolarHBondContact O-N 3.24Å; V81-T85 PolarHBondContact O-OG1 3.12Å; I82-T85 PolarHBondContact O-N 2.89Å; I82-T85 PolarHBondContact O-OG1 2.76Å; I82-T85 VanDerWaalsContact O-OG1 3.1Å; T85-L88 PolarHBondContact O-N 3.48Å |
| 86 | V | 42.5 | Very low | 42.8 | Very low | 93 Ų | 93 | 121.8 Ų | 121.8 | 56% | 0.564 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -61 | -45.5 | 170.7 | 173.7 | 0 | 0 | 0 | 0 | 111 | I82 R84 L88 Y89 | I82-V86 HydrophobicContact CG2-CG2 4.48Å; I82-V86 WeakPolarHBondContact O-CG2 3.47Å; I82-V86 PolarHBondContact O-N 3.41Å; R84-V86 VanDerWaalsContact C-N 3.32Å; R84-V86 PolarHBondContact O-N 2.9Å; V86-L88 VanDerWaalsContact C-N 3.26Å; V86-L88 PolarHBondContact O-N 3.45Å; V86-Y89 PolarHBondContact O-N 3.46Å; V86-Y89 VanDerWaalsContact O-N 3.14Å |
| 87 | S | 40.3 | Very low | 44 | Very low | 66 Ų | 66 | 116.4 Ų | 116.4 | 46% | 0.462 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -63.1 | -27.6 | 179.3 | 75.7 | 0 | 0 | 0 | 0 | 114.4 | D83 R84 | D83-S87 PolarHBondContact O-N 2.91Å; R84-S87 PolarHBondContact O-N 3.21Å; R84-S87 PolarHBondContact O-OG 2.72Å |
| 88 | L | 37.1 | Very low | 44.8 | Very low | 116 Ų | 116 | 115 Ų | 115 | 61% | 0.607 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -74.9 | -24.2 | 177.6 | -75.7 | 167.1 | 0 | 0 | 0 | 112.9 | R84 T85 V86 Q91 | R84-L88 PolarHBondContact O-N 3.02Å; T85-L88 PolarHBondContact O-N 3.48Å; V86-L88 VanDerWaalsContact C-N 3.26Å; V86-L88 PolarHBondContact O-N 3.45Å; L88-Q91 PolarHBondContact O-N 3.29Å |
| 89 | Y | 42 | Very low | 45.9 | Very low | 181 Ų | 181 | 111.2 Ų | 111.2 | 71% | 0.71 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -76.5 | -22.3 | -178.9 | -121.1 | -79.6 | 0 | 0 | 0 | 113.6 | V86 Q95 | V86-Y89 PolarHBondContact O-N 3.46Å; V86-Y89 VanDerWaalsContact O-N 3.14Å; Y89-Q95 PolarHBondContact OH-NE2 3.4Å |
| 90 | E | 41.3 | Very low | 46.8 | Very low | 179 Ų | 179 | 108.2 Ų | 108.2 | 84% | 0.836 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -82 | -18.1 | 172.2 | -68.9 | -166.8 | 123 | 0 | 0 | 113.2 | G92 | E90-G92 PolarHBondContact O-N 3.17Š|
| 91 | Q | 41.5 | Very low | 47.8 | Very low | 154 Ų | 154 | 108.8 Ų | 108.8 | 72% | 0.72 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -83.9 | 40.2 | -170.7 | -163.8 | 71.6 | 82.1 | 0 | 0 | 113.7 | L88 M93 | L88-Q91 PolarHBondContact O-N 3.29Å; Q91-M93 VanDerWaalsContact C-N 3.32Å; Q91-M93 PolarHBondContact O-N 3.29Å |
| 92 | G | 47.3 | Very low | 48.6 | Very low | 67 Ų | 67 | 108.3 Ų | 108.3 | 69% | 0.691 | 55% | 0.554 | S | S | * | * | trans | 58.9 | 28.6 | 157.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | E90 V94 | E90-G92 PolarHBondContact O-N 3.17Å; G92-V94 PolarHBondContact O-N 3.26Å | ||
| 93 | M | 39.8 | Very low | 49.4 | Very low | 159 Ų | 159 | 109.3 Ų | 109.3 | 78% | 0.783 | 55% | 0.552 | S | S | * | * | trans | -75.1 | 114.2 | 173.4 | -65.1 | -91.5 | 69 | 0 | 0 | 109.7 | Q91 Q95 | Q91-M93 VanDerWaalsContact C-N 3.32Å; Q91-M93 PolarHBondContact O-N 3.29Å; M93-Q95 PolarHBondContact O-N 2.96Å | ||
| 94 | V | 48.4 | Very low | 50.4 | Low | 134 Ų | 134 | 106.8 Ų | 106.8 | 81% | 0.812 | 54% | 0.542 | S | S | * | . | trans | -68.2 | 105.1 | 168.9 | 179 | 0 | 0 | 0 | 0 | 107.7 | G92 M96 | G92-V94 PolarHBondContact O-N 3.26Å; V94-M96 PolarHBondContact O-N 3.38Å | ||
| 95 | Q | 47.8 | Very low | 51.3 | Low | 132 Ų | 132 | 102.1 Ų | 102.1 | 62% | 0.617 | 53% | 0.529 | S | S | * | . | trans | -66.5 | 105.2 | 172.6 | -73.4 | 179.4 | -8.5 | 0 | 0 | 108.8 | Y89 M93 T97 | Y89-Q95 PolarHBondContact OH-NE2 3.4Å; M93-Q95 PolarHBondContact O-N 2.96Å; Q95-T97 PolarHBondContact O-N 2.87Å | ||
| 96 | M | 56.7 | Low | 51.7 | Low | 122 Ų | 122 | 102 Ų | 102 | 60% | 0.601 | 52% | 0.523 | S | S | * | . | trans | -77 | 108.8 | 163.4 | -166.4 | 77.5 | 73.4 | 0 | 0 | 106.5 | V94 D100 | V94-M96 PolarHBondContact O-N 3.38Å; M96-D100 HydrophobicContact CG-CB 4.02Å; M96-D100 HydrophobicContact SD-CB 3.63Å | ||
| 97 | T | 66 | Low | 52 | Low | 41 Ų | 41 | 104.7 Ų | 104.7 | 25% | 0.252 | 53% | 0.53 | S | S | . | . | trans | -65.5 | 163.1 | 178.2 | 67.6 | 0 | 0 | 0 | 0 | 110.4 | Q95 K99 D100 Y101 | Q95-T97 PolarHBondContact O-N 2.87Å; T97-K99 PolarHBondContact O-N 3.45Å; T97-K99 PolarHBondContact OG1-N 3.33Å; T97-D100 PolarHBondContact O-N 2.99Å; T97-D100 PolarHBondContact OG1-N 3.3Å; T97-D100 PolarHBondContact OG1-OD2 2.94Å; T97-Y101 PolarHBondContact O-N 3.07Å | ||
| 98 | V | 56.7 | Low | 51.9 | Low | 72 Ų | 72 | 109.2 Ų | 109.2 | 44% | 0.436 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -58.4 | -37.9 | 173 | 179.3 | 0 | 0 | 0 | 0 | 110.6 | D100 Y101 M102 | V98-D100 VanDerWaalsContact C-N 3.35Å; V98-D100 PolarHBondContact O-N 2.72Å; V98-Y101 PolarHBondContact O-N 3.02Å; V98-M102 HydrophobicContact CG1-CG 4.34Å; V98-M102 WeakPolarHBondContact O-CB 3.46Å; V98-M102 VanDerWaalsContact O-CG 3.25Å; V98-M102 WeakPolarHBondContact O-CG 3.43Å; V98-M102 PolarHBondContact O-N 2.97Å |
| 99 | K | 60.9 | Low | 52.1 | Low | 64 Ų | 64 | 107.7 Ų | 107.7 | 28% | 0.278 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -59.7 | -39.4 | 173.5 | -179.8 | 157.8 | -167.3 | 152.5 | 0 | 112.6 | T97 R103 E146 L149 | T97-K99 PolarHBondContact O-N 3.45Å; T97-K99 PolarHBondContact OG1-N 3.33Å; K99-R103 PolarHBondContact O-N 3.39Å; K99-R103 VanDerWaalsContact O-N 3.16Å; K99-E146 IonicContact NZ-OE2 2.89Å; K99-L149 HydrophobicContact CB-CD2 3.94Å; K99-L149 HydrophobicContact CD-CD1 4.41Å; K99-L149 HydrophobicContact CD-CD2 3.85Å; K99-L149 HydrophobicContact CG-CD1 4.13Å; K99-L149 HydrophobicContact CG-CD2 3.73Å |
| 100 | D | 62.8 | Low | 51.9 | Low | 55 Ų | 55 | 106.9 Ų | 106.9 | 29% | 0.294 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -77.7 | -33.7 | 178.2 | -58.2 | -46 | 0 | 0 | 0 | 112.9 | M96 T97 V98 R103 S104 | M96-D100 HydrophobicContact CG-CB 4.02Å; M96-D100 HydrophobicContact SD-CB 3.63Å; T97-D100 PolarHBondContact O-N 2.99Å; T97-D100 PolarHBondContact OG1-N 3.3Å; T97-D100 PolarHBondContact OG1-OD2 2.94Å; V98-D100 VanDerWaalsContact C-N 3.35Å; V98-D100 PolarHBondContact O-N 2.72Å; D100-R103 IonicContact OD1-CZ 2.69Å; D100-R103 IonicContact OD1-NH1 2.9Å; D100-R103 PolarHBondContact OD1-NH1 3.4Å; D100-S104 VanDerWaalsContact O-CB 3.28Å; D100-S104 WeakPolarHBondContact O-CB 3.37Å; D100-S104 PolarHBondContact O-N 3.04Å |
| 101 | Y | 63.8 | Low | 51.5 | Low | 136 Ų | 136 | 103.8 Ų | 103.8 | 53% | 0.533 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.4 | -44.4 | 172.3 | 177.2 | -105.2 | 0 | 0 | 0 | 111.9 | T97 V98 S104 L105 | T97-Y101 PolarHBondContact O-N 3.07Å; V98-Y101 PolarHBondContact O-N 3.02Å; Y101-S104 WeakPolarHBondContact O-CB 3.47Å; Y101-S104 PolarHBondContact O-N 3.02Å; Y101-L105 HydrophobicContact CD1-CD1 4.09Å; Y101-L105 HydrophobicContact CE1-CD1 3.53Å; Y101-L105 HydrophobicContact CE1-CG 4.21Å; Y101-L105 HydrophobicContact CE2-CG 4.48Å; Y101-L105 PolarHBondContact O-N 3.28Å |
| 102 | M | 59.5 | Low | 51.2 | Low | 68 Ų | 68 | 102 Ų | 102 | 34% | 0.335 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -59.8 | -45.9 | 174.6 | -72.3 | -67.8 | -70.5 | 0 | 0 | 111.6 | V98 S104 L105 H106 V145 | V98-M102 HydrophobicContact CG1-CG 4.34Å; V98-M102 WeakPolarHBondContact O-CB 3.46Å; V98-M102 VanDerWaalsContact O-CG 3.25Å; V98-M102 WeakPolarHBondContact O-CG 3.43Å; V98-M102 PolarHBondContact O-N 2.97Å; M102-S104 VanDerWaalsContact C-N 3.32Å; M102-S104 PolarHBondContact O-N 3.32Å; M102-L105 PolarHBondContact O-N 2.9Å; M102-H106 PolarHBondContact O-N 3.19Å; M102-V145 HydrophobicContact CB-CG1 4.33Å; M102-V145 HydrophobicContact CE-CG1 4Å; M102-V145 HydrophobicContact CE-CG2 4.21Å |
| 103 | R | 65 | Low | 50.5 | Low | 106 Ų | 106 | 106.8 Ų | 106.8 | 40% | 0.4 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.5 | -37.1 | 175.3 | -163.2 | -178.3 | -55.8 | 103.2 | 3.6 | 112.6 | K99 D100 H106 Q107 E146 | K99-R103 PolarHBondContact O-N 3.39Å; K99-R103 VanDerWaalsContact O-N 3.16Å; D100-R103 IonicContact OD1-CZ 2.69Å; D100-R103 IonicContact OD1-NH1 2.9Å; D100-R103 PolarHBondContact OD1-NH1 3.4Å; R103-H106 PolarHBondContact O-N 2.94Å; R103-Q107 PolarHBondContact O-N 2.92Å; R103-E146 IonicContact NE-OE1 2.75Å; R103-E146 IonicContact NH2-OE1 2.74Å |
| 104 | S | 59.3 | Low | 50.2 | Low | 43 Ų | 43 | 106.7 Ų | 106.7 | 30% | 0.301 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.5 | -35.6 | 175.2 | -171.1 | 0 | 0 | 0 | 0 | 112.4 | D100 Y101 M102 Q107 F108 | D100-S104 VanDerWaalsContact O-CB 3.28Å; D100-S104 WeakPolarHBondContact O-CB 3.37Å; D100-S104 PolarHBondContact O-N 3.04Å; Y101-S104 WeakPolarHBondContact O-CB 3.47Å; Y101-S104 PolarHBondContact O-N 3.02Å; M102-S104 VanDerWaalsContact C-N 3.32Å; M102-S104 PolarHBondContact O-N 3.32Å; S104-Q107 WeakPolarHBondContact O-CB 3.36Å; S104-Q107 PolarHBondContact O-N 3.36Å; S104-F108 WeakPolarHBondContact O-CD2 3.32Å |
| 105 | L | 55.6 | Low | 49.5 | Very low | 78 Ų | 78 | 106.3 Ų | 106.3 | 41% | 0.408 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.1 | -40.8 | 175.4 | -76.6 | 172.6 | 0 | 0 | 0 | 112.7 | Y101 M102 Q107 F108 | Y101-L105 HydrophobicContact CD1-CD1 4.09Å; Y101-L105 HydrophobicContact CE1-CD1 3.53Å; Y101-L105 HydrophobicContact CE1-CG 4.21Å; Y101-L105 HydrophobicContact CE2-CG 4.48Å; Y101-L105 PolarHBondContact O-N 3.28Å; M102-L105 PolarHBondContact O-N 2.9Å; L105-Q107 PolarHBondContact O-N 2.94Å; L105-F108 PolarHBondContact O-N 2.86Å |
| 106 | H | 50.8 | Low | 48.9 | Very low | 75 Ų | 75 | 112 Ų | 112 | 35% | 0.347 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.1 | -28 | 174.5 | -81.1 | -148 | 0 | 0 | 0 | 112 | M102 R103 F108 S109 D143 V145 | M102-H106 PolarHBondContact O-N 3.19Å; R103-H106 PolarHBondContact O-N 2.94Å; H106-F108 PolarHBondContact O-N 2.81Å; H106-S109 PolarHBondContact O-N 2.7Å; H106-S109 PolarHBondContact O-OG 2.97Å; H106-D143 IonicContact CE1-OD1 2.72Å; H106-D143 PolarHBondContact CE1-OD1 2.84Å; H106-D143 IonicContact CE1-OD2 2.73Å; H106-D143 PolarHBondContact CE1-OD2 3.29Å; H106-D143 VanDerWaalsContact CE1-OD2 3.25Å; H106-D143 IonicContact ND1-OD1 3.64Å; H106-D143 IonicContact ND1-OD2 3.81Å; H106-D143 PolarHBondContact ND1-OD2 3.02Å; H106-V145 VanDerWaalsContact CE1-CG2 3.44Å; H106-V145 WeakPolarHBondContact CE1-CG2 3.15Å; H106-V145 WeakPolarHBondContact NE2-CG2 3.44Å |
| 107 | Q | 49.2 | Very low | 47.7 | Very low | 151 Ų | 151 | 109.3 Ų | 109.3 | 71% | 0.706 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | 0.2 | 173.5 | -164.7 | 142.7 | 70.6 | 0 | 0 | 114.3 | R103 S104 L105 | R103-Q107 PolarHBondContact O-N 2.92Å; S104-Q107 WeakPolarHBondContact O-CB 3.36Å; S104-Q107 PolarHBondContact O-N 3.36Å; L105-Q107 PolarHBondContact O-N 2.94Å |
| 108 | F | 39.4 | Very low | 46.2 | Very low | 161 Ų | 161 | 113.8 Ų | 113.8 | 71% | 0.706 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.1 | -5.2 | 172.1 | -67.1 | -67.4 | 0 | 0 | 0 | 114.5 | S104 L105 H106 | S104-F108 WeakPolarHBondContact O-CD2 3.32Å; L105-F108 PolarHBondContact O-N 2.86Å; H106-F108 PolarHBondContact O-N 2.81Å |
| 109 | S | 39.8 | Very low | 45.1 | Very low | 83 Ų | 83 | 115.7 Ų | 115.7 | 58% | 0.58 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | -17.6 | 175.9 | 57.5 | 0 | 0 | 0 | 0 | 113.6 | H106 T111 | H106-S109 PolarHBondContact O-N 2.7Å; H106-S109 PolarHBondContact O-OG 2.97Å; S109-T111 VanDerWaalsContact C-N 3.28Å; S109-T111 PolarHBondContact O-N 3.37Å |
| 110 | E | 39.3 | Very low | 44 | Very low | 164 Ų | 164 | 122.7 Ų | 122.7 | 77% | 0.766 | 65% | 0.646 | S | S | * | * | trans | -66.4 | 79.3 | 170.3 | -71.6 | -164.2 | 134.9 | 0 | 0 | 112.1 | P112 | E110-P112 WeakPolarHBondContact O-CD 3.26Š| ||
| 111 | T | 31.4 | Very low | 42.8 | Very low | 114 Ų | 114 | 127.6 Ų | 127.6 | 70% | 0.699 | 67% | 0.672 | S | S | * | * | trans | -67 | 123.9 | 166.5 | 61.1 | 0 | 0 | 0 | 0 | 109.6 | S109 I113 | S109-T111 VanDerWaalsContact C-N 3.28Å; S109-T111 PolarHBondContact O-N 3.37Å; T111-I113 PolarHBondContact O-N 2.85Å; T111-I113 VanDerWaalsContact O-N 3.11Å | ||
| 112 | P | 35.6 | Very low | 41.3 | Very low | 118 Ų | 118 | 126 Ų | 126 | 77% | 0.766 | 68% | 0.681 | S | S | * | * | trans | -76.4 | 107.7 | -167 | 27.9 | -35 | 0 | 0 | 0 | 111.9 | E110 L114 | E110-P112 WeakPolarHBondContact O-CD 3.26Å; P112-L114 PolarHBondContact O-N 3.44Å | ||
| 113 | I | 32.1 | Very low | 40.1 | Very low | 166 Ų | 166 | 128.1 Ų | 128.1 | 85% | 0.851 | 70% | 0.701 | S | S | * | * | trans | -72.4 | 80.4 | 173.1 | -53 | -178.2 | 0 | 0 | 0 | 109.8 | T111 | T111-I113 PolarHBondContact O-N 2.85Å; T111-I113 VanDerWaalsContact O-N 3.11Å | ||
| 114 | L | 33.9 | Very low | 39 | Very low | 158 Ų | 158 | 133.7 Ų | 133.7 | 83% | 0.827 | 72% | 0.724 | S | S | * | * | trans | 23.8 | 95.6 | 165.7 | -65 | 178.3 | 0 | 0 | 0 | 117.2 | P112 R116 | P112-L114 PolarHBondContact O-N 3.44Å; L114-R116 PolarHBondContact O-N 3.39Å | ||
| 115 | S | 34.4 | Very low | 37.8 | Very low | 125 Ų | 125 | 137 Ų | 137 | 87% | 0.874 | 75% | 0.746 | S | S | * | * | trans | -56.5 | 107.3 | 171 | -43.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 116 | R | 34.7 | Very low | 36.9 | Very low | 252 Ų | 252 | 139.5 Ų | 139.5 | 95% | 0.951 | 77% | 0.765 | S | S | * | * | trans | -101.3 | 60.6 | 161.9 | -167.7 | 176.2 | 177.7 | 138.2 | -0.2 | 109.8 | L114 | L114-R116 PolarHBondContact O-N 3.39Š| ||
| 117 | G | 31.3 | Very low | 36.7 | Very low | 66 Ų | 66 | 140.2 Ų | 140.2 | 68% | 0.68 | 78% | 0.784 | S | S | * | * | trans | -84.7 | 172.1 | -160.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 118 | T | 34.1 | Very low | 36.8 | Very low | 134 Ų | 134 | 137 Ų | 137 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | trans | -136.8 | 144.2 | 160.9 | 45 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 119 | S | 33.3 | Very low | 37.8 | Very low | 112 Ų | 112 | 134.3 Ų | 134.3 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | trans | 52.4 | 105.5 | 165.1 | 53.8 | 0 | 0 | 0 | 0 | 119.5 | N121 | S119-N121 PolarHBondContact O-N 2.91Š| ||
| 120 | F | 39.1 | Very low | 38.8 | Very low | 211 Ų | 211 | 130.9 Ų | 130.9 | 93% | 0.925 | 75% | 0.751 | S | S | * | * | trans | -63.8 | 104.8 | 146.8 | -85 | -107.3 | 0 | 0 | 0 | 109.6 | ||||
| 121 | N | 36.2 | Very low | 40.1 | Very low | 159 Ų | 159 | 131.7 Ų | 131.7 | 85% | 0.85 | 75% | 0.754 | S | S | * | * | trans | 176.3 | 97.7 | 145.4 | -103.1 | -8.7 | 0 | 0 | 0 | 112.6 | S119 | S119-N121 PolarHBondContact O-N 2.91Š| ||
| 122 | S | 32.8 | Very low | 41.7 | Very low | 102 Ų | 102 | 128.9 Ų | 128.9 | 71% | 0.713 | 74% | 0.74 | S | S | * | * | trans | 175.2 | 109.8 | 135.1 | 53.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 123 | C | 34.6 | Very low | 43.1 | Very low | 113 Ų | 113 | 129.5 Ų | 129.5 | 76% | 0.764 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -73.3 | 150.8 | 155.6 | -60.3 | 0 | 0 | 0 | 0 | 108.7 | ||
| 124 | Y | 41.4 | Very low | 44.9 | Very low | 223 Ų | 223 | 125.9 Ų | 125.9 | 88% | 0.875 | 72% | 0.722 | S | S | * | * | trans | 65.1 | 105.6 | -178 | -47.8 | -78.4 | 0 | 0 | 0 | 114.9 | ||||
| 125 | S | 35.8 | Very low | 46.5 | Very low | 111 Ų | 111 | 121.9 Ų | 121.9 | 78% | 0.776 | 70% | 0.699 | S | S | * | * | trans | -136 | 142.3 | 148.7 | -77.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 126 | T | 36.7 | Very low | 48.1 | Very low | 132 Ų | 132 | 121.1 Ų | 121.1 | 81% | 0.81 | 68% | 0.677 | S | S | * | * | trans | -63 | 147.9 | -174.7 | 46.7 | 0 | 0 | 0 | 0 | 111.5 | S128 | T126-S128 PolarHBondContact O-N 3.49Š| ||
| 127 | A | 45.8 | Very low | 49.5 | Very low | 89 Ų | 89 | 114.9 Ų | 114.9 | 74% | 0.736 | 66% | 0.662 | S | S | * | * | trans | -50.9 | 108.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 128 | S | 51.8 | Low | 51.1 | Low | 83 Ų | 83 | 118.4 Ų | 118.4 | 58% | 0.58 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 130.3 | 172.9 | 43.9 | 0 | 0 | 0 | 0 | 108.7 | T126 P130 | T126-S128 PolarHBondContact O-N 3.49Å; S128-P130 WeakPolarHBondContact O-CD 3.35Å |
| 129 | V | 60.5 | Low | 52.5 | Low | 105 Ų | 105 | 118.4 Ų | 118.4 | 64% | 0.636 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 124.5 | 170.9 | -178.7 | 0 | 0 | 0 | 0 | 108.3 | Q131 W136 | V129-Q131 PolarHBondContact O-N 3.36Å; V129-W136 HydrophobicContact CG1-CH2 4.36Å; V129-W136 HydrophobicContact CG1-CZ2 3.68Å |
| 130 | P | 60.5 | Low | 53.6 | Low | 12 Ų | 12 | 121.4 Ų | 121.4 | 8% | 0.078 | 64% | 0.644 | C | S | . | * | P | Polyproline II helix | trans | -56.8 | 135.2 | -179.5 | -25.9 | 34.3 | 0 | 0 | 0 | 111.4 | S128 E135 W136 F139 | S128-P130 WeakPolarHBondContact O-CD 3.35Å; P130-E135 HydrophobicContact CB-CB 4.08Å; P130-E135 HydrophobicContact CB-CG 3.87Å; P130-W136 HydrophobicContact CB-CB 4.44Å; P130-W136 HydrophobicContact CB-CD2 3.95Å; P130-W136 HydrophobicContact CB-CG 3.79Å; P130-W136 HydrophobicContact CG-CD2 3.99Å; P130-W136 HydrophobicContact CG-CE3 4.3Å; P130-W136 HydrophobicContact CG-CG 4.27Å; P130-W136 PolarHBondContact O-NE1 3.02Å; P130-F139 HydrophobicContact CG-CB 4.07Å; P130-F139 HydrophobicContact CG-CD2 4.26Å; P130-F139 HydrophobicContact CG-CG 4.11Å |
| 131 | Q | 66.3 | Low | 54.8 | Low | 180 Ų | 180 | 118.8 Ų | 118.8 | 84% | 0.841 | 64% | 0.635 | S | S | * | * | trans | -99.5 | -7.6 | -172.8 | -58.7 | -169.7 | 12.4 | 0 | 0 | 112.5 | V129 E135 | V129-Q131 PolarHBondContact O-N 3.36Å; Q131-E135 PolarHBondContact N-OE2 3.33Å | ||
| 132 | S | 65.1 | Low | 56.1 | Low | 56 Ų | 56 | 116.4 Ų | 116.4 | 39% | 0.392 | 62% | 0.621 | S | S | . | * | S | Bend | trans | -134.3 | 156.1 | 176.6 | 72.3 | 0 | 0 | 0 | 0 | 112.7 | E135 W136 | S132-E135 PolarHBondContact N-OE2 3.2Å; S132-E135 PolarHBondContact O-N 3.45Å; S132-E135 WeakPolarHBondContact OG-CB 3.27Å; S132-E135 PolarHBondContact OG-N 2.91Å; S132-W136 VanDerWaalsContact O-CD1 3.32Å; S132-W136 PolarHBondContact O-N 3.17Å |
| 133 | I | 64.5 | Low | 57.9 | Low | 130 Ų | 130 | 114.3 Ų | 114.3 | 67% | 0.667 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -62.3 | -41 | 179.8 | -64.3 | 171.2 | 0 | 0 | 0 | 112.6 | E135 W136 L137 | I133-E135 VanDerWaalsContact C-N 3.34Å; I133-E135 PolarHBondContact O-N 2.91Å; I133-W136 WeakPolarHBondContact O-CB 3.23Å; I133-W136 PolarHBondContact O-N 3.47Å; I133-L137 HydrophobicContact CG2-CD1 4.13Å; I133-L137 HydrophobicContact CG2-CG 4.46Å; I133-L137 WeakPolarHBondContact O-CG 3.28Å; I133-L137 PolarHBondContact O-N 2.83Å |
| 134 | P | 71.1 | Confident | 59.4 | Low | 90 Ų | 90 | 113.1 Ų | 113.1 | 58% | 0.584 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -60.2 | -42.2 | 173.8 | -24.9 | 35.8 | 0 | 0 | 0 | 112.8 | W136 L137 E138 | P134-W136 VanDerWaalsContact C-N 3.31Å; P134-W136 PolarHBondContact O-N 2.93Å; P134-L137 WeakPolarHBondContact O-CB 3.24Å; P134-L137 PolarHBondContact O-N 3.44Å; P134-E138 WeakPolarHBondContact O-CB 3.32Å; P134-E138 PolarHBondContact O-N 3.3Å |
| 135 | E | 67.6 | Low | 60.7 | Low | 75 Ų | 75 | 103.5 Ų | 103.5 | 35% | 0.35 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -68.3 | -29.2 | 178.2 | -166.1 | -174.2 | -157.8 | 0 | 0 | 111.9 | P130 Q131 S132 I133 F139 | P130-E135 HydrophobicContact CB-CB 4.08Å; P130-E135 HydrophobicContact CB-CG 3.87Å; Q131-E135 PolarHBondContact N-OE2 3.33Å; S132-E135 PolarHBondContact N-OE2 3.2Å; S132-E135 PolarHBondContact O-N 3.45Å; S132-E135 WeakPolarHBondContact OG-CB 3.27Å; S132-E135 PolarHBondContact OG-N 2.91Å; I133-E135 VanDerWaalsContact C-N 3.34Å; I133-E135 PolarHBondContact O-N 2.91Å; E135-F139 VanDerWaalsContact O-CB 3.23Å; E135-F139 WeakPolarHBondContact O-CB 3.24Å; E135-F139 PolarHBondContact O-N 2.79Å; E135-F139 VanDerWaalsContact O-N 3.07Å |
| 136 | W | 66 | Low | 62.5 | Low | 109 Ų | 109 | 101.3 Ų | 101.3 | 41% | 0.413 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -69 | -41.7 | 165.7 | -86.2 | 101.2 | 0 | 0 | 0 | 112.1 | V129 P130 S132 I133 P134 F139 W140 | V129-W136 HydrophobicContact CG1-CH2 4.36Å; V129-W136 HydrophobicContact CG1-CZ2 3.68Å; P130-W136 HydrophobicContact CB-CB 4.44Å; P130-W136 HydrophobicContact CB-CD2 3.95Å; P130-W136 HydrophobicContact CB-CG 3.79Å; P130-W136 HydrophobicContact CG-CD2 3.99Å; P130-W136 HydrophobicContact CG-CE3 4.3Å; P130-W136 HydrophobicContact CG-CG 4.27Å; P130-W136 PolarHBondContact O-NE1 3.02Å; S132-W136 VanDerWaalsContact O-CD1 3.32Å; S132-W136 PolarHBondContact O-N 3.17Å; I133-W136 WeakPolarHBondContact O-CB 3.23Å; I133-W136 PolarHBondContact O-N 3.47Å; P134-W136 VanDerWaalsContact C-N 3.31Å; P134-W136 PolarHBondContact O-N 2.93Å; W136-F139 PolarHBondContact O-N 3.46Å; W136-W140 AromaticContact CE3-CD1 3.77Å; W136-W140 AromaticContact CE3-NE1 3.44Å; W136-W140 AromaticContact CZ3-NE1 3.52Å; W136-W140 VanDerWaalsContact O-CD1 3.22Å; W136-W140 PolarHBondContact O-N 3.38Å |
| 137 | L | 65.9 | Low | 64.3 | Low | 120 Ų | 120 | 98.5 Ų | 98.5 | 63% | 0.628 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.8 | -41.6 | 179.1 | -71.3 | 167.9 | 0 | 0 | 0 | 111.4 | I133 P134 W140 E141 | I133-L137 HydrophobicContact CG2-CD1 4.13Å; I133-L137 HydrophobicContact CG2-CG 4.46Å; I133-L137 WeakPolarHBondContact O-CG 3.28Å; I133-L137 PolarHBondContact O-N 2.83Å; P134-L137 WeakPolarHBondContact O-CB 3.24Å; P134-L137 PolarHBondContact O-N 3.44Å; L137-W140 CarbonylContact O-C 3.57Å; L137-W140 VanDerWaalsContact O-C 3.25Å; L137-W140 PolarHBondContact O-N 2.97Å; L137-W140 VanDerWaalsContact O-N 3.15Å; L137-E141 PolarHBondContact O-N 3.17Å |
| 138 | E | 64.3 | Low | 65.7 | Low | 141 Ų | 141 | 98.1 Ų | 98.1 | 66% | 0.659 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.5 | -38.5 | 174 | -170 | 173 | -162.5 | 0 | 0 | 111.5 | P134 W140 E141 | P134-E138 WeakPolarHBondContact O-CB 3.32Å; P134-E138 PolarHBondContact O-N 3.3Å; E138-W140 PolarHBondContact O-N 3.47Å; E138-E141 PolarHBondContact O-N 3.49Å |
| 139 | F | 62.5 | Low | 66.8 | Low | 133 Ų | 133 | 95 Ų | 95 | 58% | 0.583 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -71.1 | -16.5 | 173.7 | -160.6 | -86.3 | 0 | 0 | 0 | 113.8 | P130 E135 W136 | P130-F139 HydrophobicContact CG-CB 4.07Å; P130-F139 HydrophobicContact CG-CD2 4.26Å; P130-F139 HydrophobicContact CG-CG 4.11Å; E135-F139 VanDerWaalsContact O-CB 3.23Å; E135-F139 WeakPolarHBondContact O-CB 3.24Å; E135-F139 PolarHBondContact O-N 2.79Å; E135-F139 VanDerWaalsContact O-N 3.07Å; W136-F139 PolarHBondContact O-N 3.46Å |
| 140 | W | 57 | Low | 67.5 | Low | 175 Ų | 175 | 96.6 Ų | 96.6 | 66% | 0.663 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.8 | 13.8 | 173.9 | -73.9 | 79.3 | 0 | 0 | 0 | 112.6 | W136 L137 E138 I142 | W136-W140 AromaticContact CE3-CD1 3.77Å; W136-W140 AromaticContact CE3-NE1 3.44Å; W136-W140 AromaticContact CZ3-NE1 3.52Å; W136-W140 VanDerWaalsContact O-CD1 3.22Å; W136-W140 PolarHBondContact O-N 3.38Å; L137-W140 CarbonylContact O-C 3.57Å; L137-W140 VanDerWaalsContact O-C 3.25Å; L137-W140 PolarHBondContact O-N 2.97Å; L137-W140 VanDerWaalsContact O-N 3.15Å; E138-W140 PolarHBondContact O-N 3.47Å; W140-I142 VanDerWaalsContact C-N 3.28Å; W140-I142 PolarHBondContact O-N 2.82Å |
| 141 | E | 64.4 | Low | 68.2 | Low | 156 Ų | 156 | 101.8 Ų | 101.8 | 73% | 0.729 | 51% | 0.507 | S | S | * | . | trans | -79.7 | 81.7 | 173.3 | -170.2 | 161.4 | -164.9 | 0 | 0 | 108.4 | L137 E138 D143 | L137-E141 PolarHBondContact O-N 3.17Å; E138-E141 PolarHBondContact O-N 3.49Å; E141-D143 PolarHBondContact O-N 2.91Å | ||
| 142 | I | 63.5 | Low | 68.2 | Low | 110 Ų | 110 | 95.4 Ų | 95.4 | 56% | 0.564 | 49% | 0.489 | S | S | * | . | trans | -67.8 | 114.5 | -179.4 | -47.8 | 176 | 0 | 0 | 0 | 108.2 | W140 I147 | W140-I142 VanDerWaalsContact C-N 3.28Å; W140-I142 PolarHBondContact O-N 2.82Å; I142-I147 HydrophobicContact CB-CD1 4.07Å; I142-I147 HydrophobicContact CB-CG1 4.21Å; I142-I147 HydrophobicContact CG2-CD1 3.96Å; I142-I147 HydrophobicContact CG2-CG1 3.52Å | ||
| 143 | D | 70.9 | Confident | 68 | Low | 58 Ų | 58 | 99 Ų | 99 | 31% | 0.31 | 50% | 0.498 | S | S | . | . | trans | -52.1 | 120.5 | 179.7 | -174.6 | -24.1 | 0 | 0 | 0 | 110 | H106 E141 V145 E146 I147 | H106-D143 IonicContact CE1-OD1 2.72Å; H106-D143 PolarHBondContact CE1-OD1 2.84Å; H106-D143 IonicContact CE1-OD2 2.73Å; H106-D143 PolarHBondContact CE1-OD2 3.29Å; H106-D143 VanDerWaalsContact CE1-OD2 3.25Å; H106-D143 IonicContact ND1-OD1 3.64Å; H106-D143 IonicContact ND1-OD2 3.81Å; H106-D143 PolarHBondContact ND1-OD2 3.02Å; E141-D143 PolarHBondContact O-N 2.91Å; D143-V145 PolarHBondContact O-N 3.03Å; D143-V145 WeakPolarHBondContact OD1-CB 3.24Å; D143-V145 PolarHBondContact OD1-N 3.16Å; D143-E146 PolarHBondContact O-N 2.77Å; D143-I147 PolarHBondContact O-N 3.15Å | ||
| 144 | P | 65.5 | Low | 68 | Low | 88 Ų | 88 | 94.4 Ų | 94.4 | 57% | 0.571 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -58.5 | -22.7 | -179.5 | 24.3 | -34.8 | 0 | 0 | 0 | 112.9 | L148 | P144-L148 WeakPolarHBondContact O-CB 3.44Å; P144-L148 WeakPolarHBondContact O-CD1 3.49Å; P144-L148 WeakPolarHBondContact O-CG 3.41Å; P144-L148 PolarHBondContact O-N 3.24Å |
| 145 | V | 69.8 | Low | 67.6 | Low | 20 Ų | 20 | 93.5 Ų | 93.5 | 12% | 0.121 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -71.2 | -43.3 | 174 | 176.9 | 0 | 0 | 0 | 0 | 111.6 | M102 H106 D143 L148 L149 | M102-V145 HydrophobicContact CB-CG1 4.33Å; M102-V145 HydrophobicContact CE-CG1 4Å; M102-V145 HydrophobicContact CE-CG2 4.21Å; H106-V145 VanDerWaalsContact CE1-CG2 3.44Å; H106-V145 WeakPolarHBondContact CE1-CG2 3.15Å; H106-V145 WeakPolarHBondContact NE2-CG2 3.44Å; D143-V145 PolarHBondContact O-N 3.03Å; D143-V145 WeakPolarHBondContact OD1-CB 3.24Å; D143-V145 PolarHBondContact OD1-N 3.16Å; V145-L148 PolarHBondContact O-N 3.2Å; V145-L149 HydrophobicContact CG1-CD1 3.78Å; V145-L149 HydrophobicContact CG1-CG 4.36Å; V145-L149 WeakPolarHBondContact O-CB 3.09Å; V145-L149 WeakPolarHBondContact O-CD1 3.22Å; V145-L149 WeakPolarHBondContact O-CG 3.46Å; V145-L149 PolarHBondContact O-N 2.9Å |
| 146 | E | 73.1 | Confident | 67.4 | Low | 65 Ų | 65 | 94.6 Ų | 94.6 | 30% | 0.304 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -72.4 | -30.2 | 175.2 | -67.6 | -71.1 | -178.8 | 0 | 0 | 111.5 | K99 R103 D143 L148 L149 D150 | K99-E146 IonicContact NZ-OE2 2.89Å; R103-E146 IonicContact NE-OE1 2.75Å; R103-E146 IonicContact NH2-OE1 2.74Å; D143-E146 PolarHBondContact O-N 2.77Å; E146-L148 PolarHBondContact O-N 3.25Å; E146-L149 PolarHBondContact O-N 3.06Å; E146-L149 WeakPolarHBondContact OE2-CD1 3.44Å; E146-D150 WeakPolarHBondContact O-CB 3.35Å; E146-D150 PolarHBondContact O-N 3.48Å |
| 147 | I | 74.8 | Confident | 67.2 | Low | 74 Ų | 74 | 97.7 Ų | 97.7 | 38% | 0.379 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -57.7 | -49 | 167.3 | -60.1 | 177.6 | 0 | 0 | 0 | 110.6 | I142 D143 L149 D150 L151 | I142-I147 HydrophobicContact CB-CD1 4.07Å; I142-I147 HydrophobicContact CB-CG1 4.21Å; I142-I147 HydrophobicContact CG2-CD1 3.96Å; I142-I147 HydrophobicContact CG2-CG1 3.52Å; D143-I147 PolarHBondContact O-N 3.15Å; I147-L149 VanDerWaalsContact C-N 3.33Å; I147-L149 PolarHBondContact O-N 2.92Å; I147-D150 PolarHBondContact O-N 3.36Å; I147-L151 HydrophobicContact CG2-CD1 3.88Å; I147-L151 HydrophobicContact CG2-CG 4.41Å; I147-L151 WeakPolarHBondContact O-CB 3.38Å; I147-L151 VanDerWaalsContact O-CG 3.28Å; I147-L151 WeakPolarHBondContact O-CG 3.45Å; I147-L151 PolarHBondContact O-N 3.18Å |
| 148 | L | 73.9 | Confident | 67.1 | Low | 81 Ų | 81 | 96 Ų | 96 | 42% | 0.424 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.7 | -39.4 | 179.4 | -75.7 | 167.2 | 0 | 0 | 0 | 111.7 | P144 V145 E146 L151 G152 F153 | P144-L148 WeakPolarHBondContact O-CB 3.44Å; P144-L148 WeakPolarHBondContact O-CD1 3.49Å; P144-L148 WeakPolarHBondContact O-CG 3.41Å; P144-L148 PolarHBondContact O-N 3.24Å; V145-L148 PolarHBondContact O-N 3.2Å; E146-L148 PolarHBondContact O-N 3.25Å; L148-L151 CarbonylContact O-C 3.25Å; L148-L151 PolarHBondContact O-N 2.95Å; L148-G152 PolarHBondContact O-N 3.43Å; L148-F153 HydrophobicContact CB-CB 4.25Å; L148-F153 HydrophobicContact CD2-CB 4.44Å; L148-F153 HydrophobicContact CD2-CD2 3.81Å; L148-F153 HydrophobicContact CD2-CE2 4.27Å; L148-F153 HydrophobicContact CD2-CG 4.14Å; L148-F153 WeakPolarHBondContact O-CB 3.39Å; L148-F153 PolarHBondContact O-N 3.38Å |
| 149 | L | 75.5 | Confident | 66.8 | Low | 18 Ų | 18 | 94.7 Ų | 94.7 | 9% | 0.094 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -68.9 | -34.3 | 178.3 | -69.6 | 164.7 | 0 | 0 | 0 | 112.9 | K99 V145 E146 I147 G152 F153 | K99-L149 HydrophobicContact CB-CD2 3.94Å; K99-L149 HydrophobicContact CD-CD1 4.41Å; K99-L149 HydrophobicContact CD-CD2 3.85Å; K99-L149 HydrophobicContact CG-CD1 4.13Å; K99-L149 HydrophobicContact CG-CD2 3.73Å; V145-L149 HydrophobicContact CG1-CD1 3.78Å; V145-L149 HydrophobicContact CG1-CG 4.36Å; V145-L149 WeakPolarHBondContact O-CB 3.09Å; V145-L149 WeakPolarHBondContact O-CD1 3.22Å; V145-L149 WeakPolarHBondContact O-CG 3.46Å; V145-L149 PolarHBondContact O-N 2.9Å; E146-L149 PolarHBondContact O-N 3.06Å; E146-L149 WeakPolarHBondContact OE2-CD1 3.44Å; I147-L149 VanDerWaalsContact C-N 3.33Å; I147-L149 PolarHBondContact O-N 2.92Å; L149-G152 PolarHBondContact O-N 2.94Å; L149-F153 WeakPolarHBondContact CD2-O 3.2Å |
| 150 | D | 75.6 | Confident | 66.6 | Low | 138 Ų | 138 | 94.1 Ų | 94.1 | 74% | 0.738 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -77 | -29.1 | 173.7 | -83.5 | -3.7 | 0 | 0 | 0 | 112.4 | E146 I147 G152 | E146-D150 WeakPolarHBondContact O-CB 3.35Å; E146-D150 PolarHBondContact O-N 3.48Å; I147-D150 PolarHBondContact O-N 3.36Å; D150-G152 PolarHBondContact O-N 3.45Å |
| 151 | L | 74.9 | Confident | 66.5 | Low | 121 Ų | 121 | 89.1 Ų | 89.1 | 63% | 0.634 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -0.6 | 166 | -69.3 | 174 | 0 | 0 | 0 | 113.3 | I147 L148 F153 | I147-L151 HydrophobicContact CG2-CD1 3.88Å; I147-L151 HydrophobicContact CG2-CG 4.41Å; I147-L151 WeakPolarHBondContact O-CB 3.38Å; I147-L151 VanDerWaalsContact O-CG 3.28Å; I147-L151 WeakPolarHBondContact O-CG 3.45Å; I147-L151 PolarHBondContact O-N 3.18Å; L148-L151 CarbonylContact O-C 3.25Å; L148-L151 PolarHBondContact O-N 2.95Å; L151-F153 HydrophobicContact CB-CD2 3.84Å; L151-F153 HydrophobicContact CB-CE2 3.96Å |
| 152 | G | 65.9 | Low | 66.4 | Low | 45 Ų | 45 | 89.3 Ų | 89.3 | 46% | 0.464 | 50% | 0.499 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.5 | 2.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | L148 L149 D150 | L148-G152 PolarHBondContact O-N 3.43Å; L149-G152 PolarHBondContact O-N 2.94Å; D150-G152 PolarHBondContact O-N 3.45Å |
| 153 | F | 61.7 | Low | 66.2 | Low | 132 Ų | 132 | 90.9 Ų | 90.9 | 58% | 0.579 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | 133.3 | 173.5 | -64.2 | -91.9 | 0 | 0 | 0 | 110.1 | L148 L149 L151 A155 | L148-F153 HydrophobicContact CB-CB 4.25Å; L148-F153 HydrophobicContact CD2-CB 4.44Å; L148-F153 HydrophobicContact CD2-CD2 3.81Å; L148-F153 HydrophobicContact CD2-CE2 4.27Å; L148-F153 HydrophobicContact CD2-CG 4.14Å; L148-F153 WeakPolarHBondContact O-CB 3.39Å; L148-F153 PolarHBondContact O-N 3.38Å; L149-F153 WeakPolarHBondContact CD2-O 3.2Å; L151-F153 HydrophobicContact CB-CD2 3.84Å; L151-F153 HydrophobicContact CB-CE2 3.96Å; F153-A155 VanDerWaalsContact C-N 3.3Å; F153-A155 PolarHBondContact O-N 2.95Å |
| 154 | G | 63.3 | Low | 66 | Low | 33 Ų | 33 | 91.4 Ų | 91.4 | 34% | 0.34 | 51% | 0.506 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.4 | 9.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 155 | A | 64.3 | Low | 66.2 | Low | 72 Ų | 72 | 89.9 Ų | 89.9 | 60% | 0.595 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -70.9 | 139.4 | 155.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | F153 E157 | F153-A155 VanDerWaalsContact C-N 3.3Å; F153-A155 PolarHBondContact O-N 2.95Å; A155-E157 PolarHBondContact O-N 2.76Å |
| 156 | D | 63.4 | Low | 65.8 | Low | 97 Ų | 97 | 92.5 Ų | 92.5 | 52% | 0.519 | 52% | 0.521 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 120.7 | 177 | -60.8 | -56.2 | 0 | 0 | 0 | 109.7 | ||
| 157 | E | 61.6 | Low | 65.5 | Low | 174 Ų | 174 | 97.5 Ų | 97.5 | 81% | 0.813 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -63.9 | 128.8 | -178.2 | -170.3 | 175.2 | -173.9 | 0 | 0 | 110 | A155 D159 | A155-E157 PolarHBondContact O-N 2.76Å; E157-D159 PolarHBondContact O-N 2.8Å; E157-D159 VanDerWaalsContact O-N 3.11Å |
| 158 | P | 62.2 | Low | 64.8 | Low | 84 Ų | 84 | 100.1 Ų | 100.1 | 55% | 0.545 | 55% | 0.546 | S | S | . | . | P | Polyproline II helix | trans | -66 | 117.7 | -174.4 | 25.6 | -34.1 | 0 | 0 | 0 | 110.6 | I160 | P158-I160 PolarHBondContact O-N 2.93Š|
| 159 | D | 59.1 | Low | 64.5 | Low | 115 Ų | 115 | 101.7 Ų | 101.7 | 62% | 0.615 | 55% | 0.554 | S | S | * | * | trans | -41.4 | 133.5 | -176 | -154.7 | -12.2 | 0 | 0 | 0 | 112.4 | E157 C161 M162 | E157-D159 PolarHBondContact O-N 2.8Å; E157-D159 VanDerWaalsContact O-N 3.11Å; D159-C161 PolarHBondContact O-N 2.78Å; D159-M162 WeakPolarHBondContact O-CA 3.49Å; D159-M162 WeakPolarHBondContact O-CB 3.36Å; D159-M162 PolarHBondContact O-N 2.75Å | ||
| 160 | I | 58.9 | Low | 63.9 | Low | 120 Ų | 120 | 104.1 Ų | 104.1 | 62% | 0.615 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -56.1 | -27.4 | -169.3 | 50.1 | 172.5 | 0 | 0 | 0 | 113.2 | P158 M162 Q163 I164 | P158-I160 PolarHBondContact O-N 2.93Å; I160-M162 VanDerWaalsContact C-N 3.28Å; I160-M162 PolarHBondContact O-N 2.63Å; I160-Q163 PolarHBondContact O-N 3.13Å; I160-I164 WeakPolarHBondContact O-CG1 3.32Å; I160-I164 PolarHBondContact O-N 3.25Å; I160-I164 VanDerWaalsContact O-N 3.15Å |
| 161 | C | 55 | Low | 63.3 | Low | 71 Ų | 71 | 101.7 Ų | 101.7 | 48% | 0.48 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -65.5 | -24.2 | 173.9 | -65.3 | 0 | 0 | 0 | 0 | 114.2 | D159 | D159-C161 PolarHBondContact O-N 2.78Å |
| 162 | M | 60.6 | Low | 62.7 | Low | 159 Ų | 159 | 99.8 Ų | 99.8 | 78% | 0.783 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -81.6 | -28.1 | 173.2 | -65.6 | -64.2 | -68.2 | 0 | 0 | 112.4 | D159 I160 | D159-M162 WeakPolarHBondContact O-CA 3.49Å; D159-M162 WeakPolarHBondContact O-CB 3.36Å; D159-M162 PolarHBondContact O-N 2.75Å; I160-M162 VanDerWaalsContact C-N 3.28Å; I160-M162 PolarHBondContact O-N 2.63Å |
| 163 | Q | 60.6 | Low | 62.8 | Low | 143 Ų | 143 | 102.6 Ų | 102.6 | 67% | 0.668 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -71.7 | -33 | 171.6 | -108.4 | -171.3 | 30.2 | 0 | 0 | 112.2 | I160 P165 | I160-Q163 PolarHBondContact O-N 3.13Å; Q163-P165 WeakPolarHBondContact O-CD 3.41Å |
| 164 | I | 66.2 | Low | 63 | Low | 69 Ų | 69 | 101.4 Ų | 101.4 | 35% | 0.354 | 61% | 0.613 | S | S | . | * | S | Bend | trans | -73.2 | 115 | 177.4 | -66.6 | 165.5 | 0 | 0 | 0 | 109.6 | I160 A166 F168 L169 | I160-I164 WeakPolarHBondContact O-CG1 3.32Å; I160-I164 PolarHBondContact O-N 3.25Å; I160-I164 VanDerWaalsContact O-N 3.15Å; I164-A166 PolarHBondContact O-N 2.83Å; I164-F168 HydrophobicContact CG2-CB 3.84Å; I164-F168 HydrophobicContact CG2-CD2 4.19Å; I164-F168 HydrophobicContact CG2-CG 4.46Å; I164-L169 HydrophobicContact CG2-CD2 4.38Å; I164-L169 HydrophobicContact CG2-CG 4.21Å |
| 165 | P | 70.7 | Confident | 63 | Low | 56 Ų | 56 | 103.4 Ų | 103.4 | 36% | 0.364 | 63% | 0.626 | S | S | . | * | trans | -62.6 | 130.7 | -179.8 | -25.1 | 36.5 | 0 | 0 | 0 | 111.6 | Q163 R167 F168 | Q163-P165 WeakPolarHBondContact O-CD 3.41Å; P165-R167 HydrophobicContact CB-CG 4.24Å; P165-R167 PolarHBondContact O-N 3.36Å; P165-F168 HydrophobicContact CB-CD2 4.38Å; P165-F168 HydrophobicContact CG-CE2 4.4Å; P165-F168 WeakPolarHBondContact O-CD2 3.5Å; P165-F168 PolarHBondContact O-N 2.9Å | ||
| 166 | A | 61.2 | Low | 63.2 | Low | 76 Ų | 76 | 112 Ų | 112 | 63% | 0.628 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -50.3 | -22.5 | -169.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | I164 F168 L169 G170 | I164-A166 PolarHBondContact O-N 2.83Å; A166-F168 PolarHBondContact O-N 2.86Å; A166-F168 VanDerWaalsContact O-N 3.14Å; A166-L169 PolarHBondContact O-N 2.79Å; A166-G170 PolarHBondContact O-N 3.38Å |
| 167 | R | 65.6 | Low | 63.5 | Low | 169 Ų | 169 | 110.4 Ų | 110.4 | 64% | 0.638 | 65% | 0.65 | S | S | * | * | G | 310 helix | trans | -53.6 | -25.3 | 170.1 | 69 | -176.8 | -178.6 | -110.8 | 1.1 | 114.6 | P165 | P165-R167 HydrophobicContact CB-CG 4.24Å; P165-R167 PolarHBondContact O-N 3.36Å |
| 168 | F | 60.6 | Low | 64.2 | Low | 130 Ų | 130 | 108.3 Ų | 108.3 | 57% | 0.57 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -88.4 | -12.7 | 177.2 | -64.2 | -69 | 0 | 0 | 0 | 113.5 | I164 P165 A166 | I164-F168 HydrophobicContact CG2-CB 3.84Å; I164-F168 HydrophobicContact CG2-CD2 4.19Å; I164-F168 HydrophobicContact CG2-CG 4.46Å; P165-F168 HydrophobicContact CB-CD2 4.38Å; P165-F168 HydrophobicContact CG-CE2 4.4Å; P165-F168 WeakPolarHBondContact O-CD2 3.5Å; P165-F168 PolarHBondContact O-N 2.9Å; A166-F168 PolarHBondContact O-N 2.86Å; A166-F168 VanDerWaalsContact O-N 3.14Å |
| 169 | L | 66.7 | Low | 65.1 | Low | 113 Ų | 113 | 109 Ų | 109 | 59% | 0.592 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.5 | -33 | 178.7 | -58.4 | 176.6 | 0 | 0 | 0 | 111.6 | I164 A166 | I164-L169 HydrophobicContact CG2-CD2 4.38Å; I164-L169 HydrophobicContact CG2-CG 4.21Å; A166-L169 PolarHBondContact O-N 2.79Å |
| 170 | G | 63.2 | Low | 66.2 | Low | 70 Ų | 70 | 109.2 Ų | 109.2 | 72% | 0.722 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -83.3 | -6.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | A166 | A166-G170 PolarHBondContact O-N 3.38Š|
| 171 | C | 64.6 | Low | 67.2 | Low | 87 Ų | 87 | 113.5 Ų | 113.5 | 59% | 0.588 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -125.2 | 121.9 | 179.6 | -68.8 | 0 | 0 | 0 | 0 | 110.2 | S173 | C171-S173 PolarHBondContact O-N 3.02Š|
| 172 | G | 62.3 | Low | 68.5 | Low | 81 Ų | 81 | 113.4 Ų | 113.4 | 84% | 0.835 | 65% | 0.647 | S | S | * | * | trans | -59.5 | 129.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | A174 | G172-A174 PolarHBondContact O-N 3.36Š| ||
| 173 | S | 67.8 | Low | 69.7 | Low | 103 Ų | 103 | 110.4 Ų | 110.4 | 72% | 0.72 | 63% | 0.63 | S | S | * | * | trans | -66.6 | 125.6 | -175.6 | -174.1 | 0 | 0 | 0 | 0 | 111.7 | C171 A175 | C171-S173 PolarHBondContact O-N 3.02Å; S173-A175 PolarHBondContact O-N 3.11Å; S173-A175 WeakPolarHBondContact OG-CB 3.21Å; S173-A175 PolarHBondContact OG-N 2.98Å | ||
| 174 | A | 64.2 | Low | 71 | Confident | 107 Ų | 107 | 108.5 Ų | 108.5 | 88% | 0.884 | 62% | 0.624 | S | S | * | * | trans | -78.9 | -2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | G172 R176 | G172-A174 PolarHBondContact O-N 3.36Å; A174-R176 PolarHBondContact O-N 2.85Å | ||
| 175 | A | 64.8 | Low | 71.7 | Confident | 75 Ų | 75 | 110.8 Ų | 110.8 | 62% | 0.62 | 63% | 0.633 | S | S | * | * | trans | -69.5 | 118.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | S173 G177 | S173-A175 PolarHBondContact O-N 3.11Å; S173-A175 WeakPolarHBondContact OG-CB 3.21Å; S173-A175 PolarHBondContact OG-N 2.98Å; A175-G177 PolarHBondContact O-N 3.25Å | ||
| 176 | R | 68.8 | Low | 72.5 | Confident | 254 Ų | 254 | 110.3 Ų | 110.3 | 96% | 0.958 | 63% | 0.633 | S | S | * | * | trans | -76.3 | 30.6 | -172.8 | -147.3 | 177.6 | -172.2 | -142.6 | 3.3 | 114.1 | A174 | A174-R176 PolarHBondContact O-N 2.85Š| ||
| 177 | G | 68.8 | Low | 73.4 | Confident | 63 Ų | 63 | 110.3 Ų | 110.3 | 65% | 0.649 | 62% | 0.62 | S | S | * | * | trans | 78 | 166.5 | -165.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | A175 | A175-G177 PolarHBondContact O-N 3.25Š| ||
| 178 | I | 76.1 | Confident | 74.1 | Confident | 130 Ų | 130 | 108 Ų | 108 | 67% | 0.667 | 62% | 0.615 | S | S | * | * | trans | -88.6 | 128.3 | 168.6 | -61.9 | 174.2 | 0 | 0 | 0 | 107.5 | I180 F183 | I178-I180 PolarHBondContact O-N 3.41Å; I178-F183 HydrophobicContact CG2-CB 3.73Å; I178-F183 HydrophobicContact CG2-CD2 4.31Å; I178-F183 HydrophobicContact CG2-CG 4.13Å | ||
| 179 | N | 80.8 | Confident | 74.8 | Confident | 99 Ų | 99 | 107 Ų | 107 | 53% | 0.529 | 61% | 0.612 | S | S | . | * | trans | -71.4 | 99.9 | 168.6 | -176.6 | -19.5 | 0 | 0 | 0 | 108.8 | R181 V182 F183 | N179-R181 PolarHBondContact O-N 3.42Å; N179-R181 PolarHBondContact OD1-N 2.98Å; N179-V182 HydrophobicContact CB-CB 4.26Å; N179-V182 HydrophobicContact CB-CG2 4.25Å; N179-V182 PolarHBondContact O-N 2.95Å; N179-F183 PolarHBondContact O-N 3.39Å | ||
| 180 | I | 82.9 | Confident | 75.4 | Confident | 118 Ų | 118 | 107.6 Ų | 107.6 | 61% | 0.605 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -57 | -34 | -174 | -60.3 | 172.5 | 0 | 0 | 0 | 111.8 | I178 F183 L184 | I178-I180 PolarHBondContact O-N 3.41Å; I180-F183 PolarHBondContact O-N 3.4Å; I180-L184 HydrophobicContact CG2-CD1 3.75Å; I180-L184 HydrophobicContact CG2-CG 4.12Å; I180-L184 WeakPolarHBondContact O-CB 2.92Å; I180-L184 VanDerWaalsContact O-CG 3.26Å; I180-L184 WeakPolarHBondContact O-CG 3.22Å; I180-L184 PolarHBondContact O-N 2.94Å |
| 181 | R | 79.9 | Confident | 76 | Confident | 211 Ų | 211 | 109.2 Ų | 109.2 | 80% | 0.796 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -64.4 | -53 | 178 | -54.9 | -175.9 | -158.6 | -103.4 | 2.4 | 110.8 | N179 F183 L184 E185 | N179-R181 PolarHBondContact O-N 3.42Å; N179-R181 PolarHBondContact OD1-N 2.98Å; R181-F183 VanDerWaalsContact C-N 3.3Å; R181-F183 PolarHBondContact O-N 3.49Å; R181-L184 PolarHBondContact O-N 2.97Å; R181-E185 VanDerWaalsContact O-CB 3.3Å; R181-E185 WeakPolarHBondContact O-CB 3.39Å; R181-E185 PolarHBondContact O-N 3.34Å |
| 182 | V | 82.1 | Confident | 76.2 | Confident | 69 Ų | 69 | 107.9 Ų | 107.9 | 42% | 0.418 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -63.6 | -36.7 | 179.1 | 178.3 | 0 | 0 | 0 | 0 | 111.2 | N179 A186 | N179-V182 HydrophobicContact CB-CB 4.26Å; N179-V182 HydrophobicContact CB-CG2 4.25Å; N179-V182 PolarHBondContact O-N 2.95Å; V182-A186 VanDerWaalsContact O-CB 3.22Å; V182-A186 WeakPolarHBondContact O-CB 3.36Å; V182-A186 PolarHBondContact O-N 3.28Å |
| 183 | F | 85.9 | Confident | 76.7 | Confident | 95 Ų | 95 | 110.5 Ų | 110.5 | 42% | 0.417 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64.6 | -50.1 | 174.1 | 175.4 | -96.8 | 0 | 0 | 0 | 112.2 | I178 N179 I180 R181 E185 A186 Q187 | I178-F183 HydrophobicContact CG2-CB 3.73Å; I178-F183 HydrophobicContact CG2-CD2 4.31Å; I178-F183 HydrophobicContact CG2-CG 4.13Å; N179-F183 PolarHBondContact O-N 3.39Å; I180-F183 PolarHBondContact O-N 3.4Å; R181-F183 VanDerWaalsContact C-N 3.3Å; R181-F183 PolarHBondContact O-N 3.49Å; F183-E185 VanDerWaalsContact C-N 3.33Å; F183-E185 PolarHBondContact O-N 3.2Å; F183-A186 PolarHBondContact O-N 3.01Å; F183-Q187 HydrophobicContact CD1-CG 4.25Å; F183-Q187 HydrophobicContact CD2-CG 4.4Å; F183-Q187 HydrophobicContact CE1-CG 3.91Å; F183-Q187 HydrophobicContact CE2-CG 4.07Å; F183-Q187 HydrophobicContact CG-CG 4.49Å; F183-Q187 HydrophobicContact CZ-CG 3.82Å; F183-Q187 WeakPolarHBondContact O-CB 3.37Å; F183-Q187 VanDerWaalsContact O-CG 3.25Å; F183-Q187 WeakPolarHBondContact O-CG 3.43Å; F183-Q187 PolarHBondContact O-N 2.91Å |
| 184 | L | 88.4 | Confident | 76.9 | Confident | 104 Ų | 104 | 111.6 Ų | 111.6 | 55% | 0.545 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65.2 | -36.5 | 178.9 | -71 | 174.3 | 0 | 0 | 0 | 112 | I180 R181 Q187 K188 | I180-L184 HydrophobicContact CG2-CD1 3.75Å; I180-L184 HydrophobicContact CG2-CG 4.12Å; I180-L184 WeakPolarHBondContact O-CB 2.92Å; I180-L184 VanDerWaalsContact O-CG 3.26Å; I180-L184 WeakPolarHBondContact O-CG 3.22Å; I180-L184 PolarHBondContact O-N 2.94Å; R181-L184 PolarHBondContact O-N 2.97Å; L184-Q187 PolarHBondContact O-N 3.06Å; L184-K188 WeakPolarHBondContact O-CB 3.42Å; L184-K188 PolarHBondContact O-N 2.89Å |
| 185 | E | 81.3 | Confident | 76.6 | Confident | 117 Ų | 117 | 110.1 Ų | 110.1 | 55% | 0.547 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.8 | -44 | 175.2 | -175.1 | 165.8 | -153.5 | 0 | 0 | 111.8 | R181 F183 K188 Q189 | R181-E185 VanDerWaalsContact O-CB 3.3Å; R181-E185 WeakPolarHBondContact O-CB 3.39Å; R181-E185 PolarHBondContact O-N 3.34Å; F183-E185 VanDerWaalsContact C-N 3.33Å; F183-E185 PolarHBondContact O-N 3.2Å; E185-K188 PolarHBondContact O-N 3.33Å; E185-Q189 WeakPolarHBondContact O-CG 3.45Å; E185-Q189 PolarHBondContact O-N 3.48Å |
| 186 | A | 85.7 | Confident | 76.6 | Confident | 45 Ų | 45 | 111 Ų | 111 | 37% | 0.372 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.2 | -35.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | V182 F183 R190 | V182-A186 VanDerWaalsContact O-CB 3.22Å; V182-A186 WeakPolarHBondContact O-CB 3.36Å; V182-A186 PolarHBondContact O-N 3.28Å; F183-A186 PolarHBondContact O-N 3.01Å; A186-R190 VanDerWaalsContact O-CB 3.26Å; A186-R190 WeakPolarHBondContact O-CB 3.39Å; A186-R190 PolarHBondContact O-N 2.93Å |
| 187 | Q | 81.9 | Confident | 76.3 | Confident | 76 Ų | 76 | 102.9 Ų | 102.9 | 36% | 0.355 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -69.6 | -37.5 | 173.4 | -68.9 | -67.5 | 15.7 | 0 | 0 | 111.8 | F183 L184 R190 M191 | F183-Q187 HydrophobicContact CD1-CG 4.25Å; F183-Q187 HydrophobicContact CD2-CG 4.4Å; F183-Q187 HydrophobicContact CE1-CG 3.91Å; F183-Q187 HydrophobicContact CE2-CG 4.07Å; F183-Q187 HydrophobicContact CG-CG 4.49Å; F183-Q187 HydrophobicContact CZ-CG 3.82Å; F183-Q187 WeakPolarHBondContact O-CB 3.37Å; F183-Q187 VanDerWaalsContact O-CG 3.25Å; F183-Q187 WeakPolarHBondContact O-CG 3.43Å; F183-Q187 PolarHBondContact O-N 2.91Å; L184-Q187 PolarHBondContact O-N 3.06Å; Q187-R190 PolarHBondContact O-N 2.87Å; Q187-M191 VanDerWaalsContact O-CB 3.31Å; Q187-M191 WeakPolarHBondContact O-CB 3.5Å; Q187-M191 PolarHBondContact O-N 3.11Å |
| 188 | K | 80.4 | Confident | 76 | Confident | 121 Ų | 121 | 102.7 Ų | 102.7 | 53% | 0.526 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.4 | -52.5 | 172.4 | -172.9 | -163.9 | 168.2 | -169.4 | 0 | 110.7 | L184 E185 R190 M191 D192 | L184-K188 WeakPolarHBondContact O-CB 3.42Å; L184-K188 PolarHBondContact O-N 2.89Å; E185-K188 PolarHBondContact O-N 3.33Å; K188-R190 VanDerWaalsContact C-N 3.28Å; K188-R190 PolarHBondContact O-N 2.97Å; K188-M191 CarbonylContact O-C 3.52Å; K188-M191 PolarHBondContact O-N 3.11Å; K188-M191 VanDerWaalsContact O-N 3.08Å; K188-D192 WeakPolarHBondContact CE-OD2 3.48Å; K188-D192 WeakPolarHBondContact O-CB 3.35Å; K188-D192 VanDerWaalsContact O-CG 3.26Å; K188-D192 PolarHBondContact O-N 3.3Å |
| 189 | Q | 75.3 | Confident | 75.4 | Confident | 109 Ų | 109 | 102.4 Ų | 102.4 | 51% | 0.509 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58 | -41.2 | 177.6 | -71.8 | 176.9 | 8.7 | 0 | 0 | 111.8 | E185 D192 I193 | E185-Q189 WeakPolarHBondContact O-CG 3.45Å; E185-Q189 PolarHBondContact O-N 3.48Å; Q189-D192 PolarHBondContact O-N 3.47Å; Q189-I193 WeakPolarHBondContact O-CB 2.96Å; Q189-I193 WeakPolarHBondContact O-CD1 3.48Å; Q189-I193 WeakPolarHBondContact O-CG1 3.39Å; Q189-I193 PolarHBondContact O-N 2.95Å |
| 190 | R | 77.8 | Confident | 74.6 | Confident | 126 Ų | 126 | 99 Ų | 99 | 48% | 0.475 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.1 | -48.3 | 173.1 | 176.9 | 172.9 | -79.4 | 118 | 0.8 | 111.6 | A186 Q187 K188 D192 I193 E194 | A186-R190 VanDerWaalsContact O-CB 3.26Å; A186-R190 WeakPolarHBondContact O-CB 3.39Å; A186-R190 PolarHBondContact O-N 2.93Å; Q187-R190 PolarHBondContact O-N 2.87Å; K188-R190 VanDerWaalsContact C-N 3.28Å; K188-R190 PolarHBondContact O-N 2.97Å; R190-D192 PolarHBondContact O-N 2.98Å; R190-I193 PolarHBondContact O-N 2.85Å; R190-E194 VanDerWaalsContact CD-OE1 3.26Å; R190-E194 WeakPolarHBondContact CD-OE1 3.23Å; R190-E194 HydrophobicContact CG-CG 4.07Å; R190-E194 WeakPolarHBondContact CG-OE1 3.2Å; R190-E194 VanDerWaalsContact CG-OE2 3.29Å; R190-E194 WeakPolarHBondContact CG-OE2 3.31Å; R190-E194 IonicContact NE-OE1 2.64Å; R190-E194 PolarHBondContact NE-OE1 2.95Å; R190-E194 VanDerWaalsContact O-CB 3.31Å; R190-E194 WeakPolarHBondContact O-CB 3.31Å; R190-E194 WeakPolarHBondContact O-CG 3.49Å; R190-E194 PolarHBondContact O-N 3.47Å |
| 191 | M | 76.1 | Confident | 73.9 | Confident | 104 Ų | 104 | 99 Ų | 99 | 51% | 0.512 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.7 | -39 | 178.5 | -178 | 172.8 | 61.2 | 0 | 0 | 112.6 | Q187 K188 I193 N195 | Q187-M191 VanDerWaalsContact O-CB 3.31Å; Q187-M191 WeakPolarHBondContact O-CB 3.5Å; Q187-M191 PolarHBondContact O-N 3.11Å; K188-M191 CarbonylContact O-C 3.52Å; K188-M191 PolarHBondContact O-N 3.11Å; K188-M191 VanDerWaalsContact O-N 3.08Å; M191-I193 VanDerWaalsContact C-N 3.29Å; M191-I193 PolarHBondContact O-N 3.31Å; M191-N195 WeakPolarHBondContact O-CA 3.29Å; M191-N195 WeakPolarHBondContact O-CB 3.5Å; M191-N195 PolarHBondContact O-N 2.75Å |
| 192 | D | 68.6 | Low | 73.4 | Confident | 59 Ų | 59 | 95.3 Ų | 95.3 | 32% | 0.316 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.6 | -31.9 | 176.3 | -67.4 | -24.7 | 0 | 0 | 0 | 111.6 | K188 Q189 R190 | K188-D192 WeakPolarHBondContact CE-OD2 3.48Å; K188-D192 WeakPolarHBondContact O-CB 3.35Å; K188-D192 VanDerWaalsContact O-CG 3.26Å; K188-D192 PolarHBondContact O-N 3.3Å; Q189-D192 PolarHBondContact O-N 3.47Å; R190-D192 PolarHBondContact O-N 2.98Å |
| 193 | I | 72.4 | Confident | 73 | Confident | 135 Ų | 135 | 97.6 Ų | 97.6 | 69% | 0.692 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -84 | -40.7 | 177.7 | -68.2 | 165.8 | 0 | 0 | 0 | 112.3 | Q189 R190 M191 | Q189-I193 WeakPolarHBondContact O-CB 2.96Å; Q189-I193 WeakPolarHBondContact O-CD1 3.48Å; Q189-I193 WeakPolarHBondContact O-CG1 3.39Å; Q189-I193 PolarHBondContact O-N 2.95Å; R190-I193 PolarHBondContact O-N 2.85Å; M191-I193 VanDerWaalsContact C-N 3.29Å; M191-I193 PolarHBondContact O-N 3.31Å |
| 194 | E | 73.7 | Confident | 72.5 | Confident | 127 Ų | 127 | 99 Ų | 99 | 59% | 0.593 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -82.5 | -22.3 | -177.8 | -69.6 | 173.7 | -178 | 0 | 0 | 112.4 | R190 | R190-E194 VanDerWaalsContact CD-OE1 3.26Å; R190-E194 WeakPolarHBondContact CD-OE1 3.23Å; R190-E194 HydrophobicContact CG-CG 4.07Å; R190-E194 WeakPolarHBondContact CG-OE1 3.2Å; R190-E194 VanDerWaalsContact CG-OE2 3.29Å; R190-E194 WeakPolarHBondContact CG-OE2 3.31Å; R190-E194 IonicContact NE-OE1 2.64Å; R190-E194 PolarHBondContact NE-OE1 2.95Å; R190-E194 VanDerWaalsContact O-CB 3.31Å; R190-E194 WeakPolarHBondContact O-CB 3.31Å; R190-E194 WeakPolarHBondContact O-CG 3.49Å; R190-E194 PolarHBondContact O-N 3.47Å |
| 195 | N | 57.9 | Low | 72.3 | Confident | 75 Ų | 75 | 99 Ų | 99 | 40% | 0.401 | 48% | 0.477 | S | S | . | . | trans | -133.1 | 62.5 | 177.1 | -82.9 | -90.4 | 0 | 0 | 0 | 112.9 | M191 N197 L198 | M191-N195 WeakPolarHBondContact O-CA 3.29Å; M191-N195 WeakPolarHBondContact O-CB 3.5Å; M191-N195 PolarHBondContact O-N 2.75Å; N195-N197 PolarHBondContact O-N 2.69Å; N195-L198 HydrophobicContact CB-CB 4.17Å; N195-L198 HydrophobicContact CB-CD1 3.72Å; N195-L198 HydrophobicContact CB-CG 3.98Å; N195-L198 PolarHBondContact O-N 2.78Å | ||
| 196 | P | 63.3 | Low | 72.2 | Confident | 94 Ų | 94 | 98.7 Ų | 98.7 | 61% | 0.61 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -58 | -26.8 | -179.9 | 23.9 | -34.6 | 0 | 0 | 0 | 113.3 | G200 | P196-G200 PolarHBondContact O-N 2.9Å |
| 197 | N | 62.6 | Low | 72.2 | Confident | 84 Ų | 84 | 101.6 Ų | 101.6 | 45% | 0.449 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -81.3 | -10.9 | 178.6 | -159.2 | -6.6 | 0 | 0 | 0 | 113.7 | N195 R201 | N195-N197 PolarHBondContact O-N 2.69Å; N197-R201 WeakPolarHBondContact O-CB 3.18Å; N197-R201 WeakPolarHBondContact O-CG 3.49Å; N197-R201 PolarHBondContact O-N 3.13Å; N197-R201 PolarHBondContact O-NE 2.73Å |
| 198 | L | 62.6 | Low | 72.5 | Confident | 59 Ų | 59 | 102.8 Ų | 102.8 | 31% | 0.309 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -76.3 | -49.5 | 172.2 | -78.2 | 177.4 | 0 | 0 | 0 | 111.2 | N195 G200 R201 F202 | N195-L198 HydrophobicContact CB-CB 4.17Å; N195-L198 HydrophobicContact CB-CD1 3.72Å; N195-L198 HydrophobicContact CB-CG 3.98Å; N195-L198 PolarHBondContact O-N 2.78Å; L198-G200 VanDerWaalsContact C-N 3.27Å; L198-G200 PolarHBondContact O-N 2.98Å; L198-R201 PolarHBondContact O-N 2.72Å; L198-R201 VanDerWaalsContact O-N 3.15Å; L198-F202 VanDerWaalsContact O-CD2 3.23Å; L198-F202 WeakPolarHBondContact O-CD2 3.46Å; L198-F202 PolarHBondContact O-N 2.68Å |
| 199 | Y | 63.3 | Low | 72.8 | Confident | 124 Ų | 124 | 100.9 Ų | 100.9 | 49% | 0.486 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.4 | -34.7 | 177.1 | -176.1 | -120.2 | 0 | 0 | 0 | 112.1 | R203 | Y199-R203 VanDerWaalsContact CE1-CZ 3.46Å; Y199-R203 HydrophobicContact CE2-CG 4.2Å; Y199-R203 PolarHBondContact O-N 3.33Å; Y199-R203 VanDerWaalsContact O-N 3.08Å; Y199-R203 PolarHBondContact OH-NH1 2.82Å; Y199-R203 VanDerWaalsContact OH-NH1 3.15Å |
| 200 | G | 65.3 | Low | 73.3 | Confident | 27 Ų | 27 | 101.6 Ų | 101.6 | 28% | 0.278 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -56.5 | -53.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | P196 L198 R203 Q204 | P196-G200 PolarHBondContact O-N 2.9Å; L198-G200 VanDerWaalsContact C-N 3.27Å; L198-G200 PolarHBondContact O-N 2.98Å; G200-R203 PolarHBondContact O-N 3.01Å; G200-Q204 WeakPolarHBondContact O-CG 3.4Å; G200-Q204 PolarHBondContact O-N 3.11Å |
| 201 | R | 67.8 | Low | 73.9 | Confident | 117 Ų | 117 | 98.6 Ų | 98.6 | 44% | 0.442 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.5 | -35.4 | 180 | -75.6 | 178.4 | -68.9 | -179.7 | 1.3 | 113.9 | N197 L198 Q204 L205 | N197-R201 WeakPolarHBondContact O-CB 3.18Å; N197-R201 WeakPolarHBondContact O-CG 3.49Å; N197-R201 PolarHBondContact O-N 3.13Å; N197-R201 PolarHBondContact O-NE 2.73Å; L198-R201 PolarHBondContact O-N 2.72Å; L198-R201 VanDerWaalsContact O-N 3.15Å; R201-Q204 PolarHBondContact O-N 3.22Å; R201-L205 WeakPolarHBondContact O-CG 3.31Å; R201-L205 PolarHBondContact O-N 2.91Å |
| 202 | F | 68.5 | Low | 74.3 | Confident | 134 Ų | 134 | 97 Ų | 97 | 59% | 0.588 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -66 | -38.4 | 173 | -79.2 | -64.3 | 0 | 0 | 0 | 112.3 | L198 L205 E206 | L198-F202 VanDerWaalsContact O-CD2 3.23Å; L198-F202 WeakPolarHBondContact O-CD2 3.46Å; L198-F202 PolarHBondContact O-N 2.68Å; F202-L205 HydrophobicContact CD1-CD1 4.36Å; F202-L205 PolarHBondContact O-N 3.02Å; F202-E206 WeakPolarHBondContact O-CB 3.45Å; F202-E206 PolarHBondContact O-N 3.02Å |
| 203 | R | 73.8 | Confident | 75 | Confident | 117 Ų | 117 | 98.3 Ų | 98.3 | 44% | 0.442 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -70.6 | -32 | 171.4 | -71.3 | -158.4 | -59.8 | -153.6 | 5 | 113.3 | Y199 G200 L205 E206 I207 | Y199-R203 VanDerWaalsContact CE1-CZ 3.46Å; Y199-R203 HydrophobicContact CE2-CG 4.2Å; Y199-R203 PolarHBondContact O-N 3.33Å; Y199-R203 VanDerWaalsContact O-N 3.08Å; Y199-R203 PolarHBondContact OH-NH1 2.82Å; Y199-R203 VanDerWaalsContact OH-NH1 3.15Å; G200-R203 PolarHBondContact O-N 3.01Å; R203-L205 VanDerWaalsContact C-N 3.32Å; R203-E206 PolarHBondContact O-N 3.28Å; R203-I207 WeakPolarHBondContact O-CB 3.25Å; R203-I207 WeakPolarHBondContact O-CD1 3.32Å; R203-I207 WeakPolarHBondContact O-CG1 3.45Å; R203-I207 PolarHBondContact O-N 2.85Å |
| 204 | Q | 76.8 | Confident | 75.5 | Confident | 125 Ų | 125 | 94.3 Ų | 94.3 | 58% | 0.584 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -63 | -39.6 | 170.9 | -73.1 | 167.7 | -28.2 | 0 | 0 | 111.4 | G200 R201 L208 | G200-Q204 WeakPolarHBondContact O-CG 3.4Å; G200-Q204 PolarHBondContact O-N 3.11Å; R201-Q204 PolarHBondContact O-N 3.22Å; Q204-L208 WeakPolarHBondContact O-CB 3.42Å; Q204-L208 PolarHBondContact O-N 3.47Å |
| 205 | L | 82.6 | Confident | 75.9 | Confident | 103 Ų | 103 | 94.9 Ų | 94.9 | 54% | 0.539 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.9 | -42.2 | 172.8 | -75.5 | 163.4 | 0 | 0 | 0 | 112.6 | R201 F202 R203 L208 D209 | R201-L205 WeakPolarHBondContact O-CG 3.31Å; R201-L205 PolarHBondContact O-N 2.91Å; F202-L205 HydrophobicContact CD1-CD1 4.36Å; F202-L205 PolarHBondContact O-N 3.02Å; R203-L205 VanDerWaalsContact C-N 3.32Å; L205-L208 PolarHBondContact O-N 3.07Å; L205-D209 WeakPolarHBondContact O-CB 3.47Å; L205-D209 PolarHBondContact O-N 3.28Å |
| 206 | E | 80.3 | Confident | 76.9 | Confident | 112 Ų | 112 | 94.4 Ų | 94.4 | 52% | 0.523 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.8 | -42.1 | 176.1 | -175.2 | 174.9 | -144.4 | 0 | 0 | 111.9 | F202 R203 H210 | F202-E206 WeakPolarHBondContact O-CB 3.45Å; F202-E206 PolarHBondContact O-N 3.02Å; R203-E206 PolarHBondContact O-N 3.28Å; E206-H210 PolarHBondContact O-N 2.97Å; E206-H210 PolarHBondContact O-ND1 3.34Å |
| 207 | I | 85.9 | Confident | 77.6 | Confident | 106 Ų | 106 | 92.9 Ų | 92.9 | 54% | 0.544 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.3 | -43.1 | 173.1 | -69 | 163.7 | 0 | 0 | 0 | 110.6 | R203 D209 H210 V211 | R203-I207 WeakPolarHBondContact O-CB 3.25Å; R203-I207 WeakPolarHBondContact O-CD1 3.32Å; R203-I207 WeakPolarHBondContact O-CG1 3.45Å; R203-I207 PolarHBondContact O-N 2.85Å; I207-D209 VanDerWaalsContact C-N 3.33Å; I207-D209 PolarHBondContact O-N 2.85Å; I207-H210 PolarHBondContact O-N 3.46Å; I207-V211 HydrophobicContact CG2-CG2 4.27Å; I207-V211 WeakPolarHBondContact O-CB 3.34Å; I207-V211 VanDerWaalsContact O-CG2 3.26Å; I207-V211 WeakPolarHBondContact O-CG2 3.23Å; I207-V211 PolarHBondContact O-N 3.25Å |
| 208 | L | 88 | Confident | 78.3 | Confident | 100 Ų | 100 | 93.8 Ų | 93.8 | 52% | 0.524 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.5 | -37.2 | 178.3 | -178.8 | 62.4 | 0 | 0 | 0 | 111.8 | Q204 L205 T212 | Q204-L208 WeakPolarHBondContact O-CB 3.42Å; Q204-L208 PolarHBondContact O-N 3.47Å; L205-L208 PolarHBondContact O-N 3.07Å; L208-T212 WeakPolarHBondContact O-CB 3.41Å; L208-T212 PolarHBondContact O-N 3.08Å; L208-T212 PolarHBondContact O-OG1 3.03Å |
| 209 | D | 86.8 | Confident | 78.8 | Confident | 82 Ų | 82 | 96.9 Ų | 96.9 | 44% | 0.439 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.1 | -49.3 | 171.3 | 173.3 | 81.2 | 0 | 0 | 0 | 111.2 | L205 I207 V211 T212 N213 | L205-D209 WeakPolarHBondContact O-CB 3.47Å; L205-D209 PolarHBondContact O-N 3.28Å; I207-D209 VanDerWaalsContact C-N 3.33Å; I207-D209 PolarHBondContact O-N 2.85Å; D209-V211 VanDerWaalsContact C-N 3.31Å; D209-V211 PolarHBondContact O-N 2.88Å; D209-T212 PolarHBondContact O-N 2.61Å; D209-T212 VanDerWaalsContact O-N 3.13Å; D209-N213 WeakPolarHBondContact O-CB 3.35Å; D209-N213 PolarHBondContact O-N 3.14Å; D209-N213 PolarHBondContact O-ND2 3.07Å; D209-N213 VanDerWaalsContact O-ND2 3.07Å; D209-N213 PolarHBondContact OD1-ND2 3.24Å; D209-N213 PolarHBondContact OD2-ND2 3.06Å |
| 210 | H | 85.2 | Confident | 79 | Confident | 124 Ų | 124 | 93.5 Ų | 93.5 | 57% | 0.574 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -58.6 | -42.1 | 176.7 | -80.4 | 66 | 0 | 0 | 0 | 112.3 | E206 I207 A214 | E206-H210 PolarHBondContact O-N 2.97Å; E206-H210 PolarHBondContact O-ND1 3.34Å; I207-H210 PolarHBondContact O-N 3.46Å; H210-A214 VanDerWaalsContact O-CB 3.31Å; H210-A214 WeakPolarHBondContact O-CB 3.46Å; H210-A214 PolarHBondContact O-N 3.26Å |
| 211 | V | 89.6 | Confident | 79 | Confident | 63 Ų | 63 | 96.6 Ų | 96.6 | 38% | 0.382 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.4 | -42 | 175.6 | 167.2 | 0 | 0 | 0 | 0 | 111 | I207 D209 A214 F215 | I207-V211 HydrophobicContact CG2-CG2 4.27Å; I207-V211 WeakPolarHBondContact O-CB 3.34Å; I207-V211 VanDerWaalsContact O-CG2 3.26Å; I207-V211 WeakPolarHBondContact O-CG2 3.23Å; I207-V211 PolarHBondContact O-N 3.25Å; D209-V211 VanDerWaalsContact C-N 3.31Å; D209-V211 PolarHBondContact O-N 2.88Å; V211-A214 PolarHBondContact O-N 2.95Å; V211-F215 HydrophobicContact CG1-CD2 3.58Å; V211-F215 HydrophobicContact CG1-CE2 3.47Å; V211-F215 VanDerWaalsContact CG1-CE2 3.47Å; V211-F215 WeakPolarHBondContact O-CB 3.21Å; V211-F215 VanDerWaalsContact O-CD2 3.23Å; V211-F215 WeakPolarHBondContact O-CD2 3.15Å; V211-F215 PolarHBondContact O-N 2.74Å |
| 212 | T | 85.8 | Confident | 78.9 | Confident | 69 Ų | 69 | 95.7 Ų | 95.7 | 42% | 0.423 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.9 | -40.9 | 177.2 | -59.7 | 0 | 0 | 0 | 0 | 111.6 | L208 D209 S216 | L208-T212 WeakPolarHBondContact O-CB 3.41Å; L208-T212 PolarHBondContact O-N 3.08Å; L208-T212 PolarHBondContact O-OG1 3.03Å; D209-T212 PolarHBondContact O-N 2.61Å; D209-T212 VanDerWaalsContact O-N 3.13Å; T212-S216 VanDerWaalsContact O-CB 3.31Å; T212-S216 WeakPolarHBondContact O-CB 3.26Å; T212-S216 PolarHBondContact O-N 2.89Å; T212-S216 PolarHBondContact O-OG 3.04Å |
| 213 | N | 83.9 | Confident | 78.3 | Confident | 87 Ų | 87 | 92.3 Ų | 92.3 | 47% | 0.465 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.1 | -38.6 | 176.1 | -74 | -44.3 | 0 | 0 | 0 | 111.5 | D209 S216 S217 | D209-N213 WeakPolarHBondContact O-CB 3.35Å; D209-N213 PolarHBondContact O-N 3.14Å; D209-N213 PolarHBondContact O-ND2 3.07Å; D209-N213 VanDerWaalsContact O-ND2 3.07Å; D209-N213 PolarHBondContact OD1-ND2 3.24Å; D209-N213 PolarHBondContact OD2-ND2 3.06Å; N213-S216 PolarHBondContact O-N 3.42Å; N213-S217 PolarHBondContact O-N 3.29Å |
| 214 | A | 81.9 | Confident | 77.4 | Confident | 51 Ų | 51 | 90.7 Ų | 90.7 | 42% | 0.421 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.9 | -47.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | H210 V211 S216 S217 L218 | H210-A214 VanDerWaalsContact O-CB 3.31Å; H210-A214 WeakPolarHBondContact O-CB 3.46Å; H210-A214 PolarHBondContact O-N 3.26Å; V211-A214 PolarHBondContact O-N 2.95Å; A214-S216 VanDerWaalsContact C-N 3.31Å; A214-S216 PolarHBondContact O-N 3.42Å; A214-S217 WeakPolarHBondContact O-CB 3.35Å; A214-S217 PolarHBondContact O-N 3.07Å; A214-L218 WeakPolarHBondContact O-CG 3.24Å; A214-L218 PolarHBondContact O-N 3Å |
| 215 | F | 81.9 | Confident | 76.3 | Confident | 139 Ų | 139 | 91 Ų | 91 | 61% | 0.61 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.5 | -36.8 | 173.9 | -81.5 | -57.5 | 0 | 0 | 0 | 112.4 | V211 L218 L219 | V211-F215 HydrophobicContact CG1-CD2 3.58Å; V211-F215 HydrophobicContact CG1-CE2 3.47Å; V211-F215 VanDerWaalsContact CG1-CE2 3.47Å; V211-F215 WeakPolarHBondContact O-CB 3.21Å; V211-F215 VanDerWaalsContact O-CD2 3.23Å; V211-F215 WeakPolarHBondContact O-CD2 3.15Å; V211-F215 PolarHBondContact O-N 2.74Å; F215-L218 PolarHBondContact O-N 2.81Å; F215-L219 WeakPolarHBondContact O-CB 3.38Å; F215-L219 PolarHBondContact O-N 3.03Å |
| 216 | S | 79.8 | Confident | 74.6 | Confident | 65 Ų | 65 | 89.9 Ų | 89.9 | 46% | 0.455 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.6 | -39.5 | 175.2 | -61.4 | 0 | 0 | 0 | 0 | 111.9 | T212 N213 A214 S220 | T212-S216 VanDerWaalsContact O-CB 3.31Å; T212-S216 WeakPolarHBondContact O-CB 3.26Å; T212-S216 PolarHBondContact O-N 2.89Å; T212-S216 PolarHBondContact O-OG 3.04Å; N213-S216 PolarHBondContact O-N 3.42Å; A214-S216 VanDerWaalsContact C-N 3.31Å; A214-S216 PolarHBondContact O-N 3.42Å; S216-S220 WeakPolarHBondContact O-CB 3.33Å; S216-S220 PolarHBondContact O-N 2.89Å |
| 217 | S | 78.3 | Confident | 73.1 | Confident | 63 Ų | 63 | 90.8 Ų | 90.8 | 44% | 0.441 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.3 | -52.8 | 172.4 | -165.6 | 0 | 0 | 0 | 0 | 111 | N213 A214 L219 S220 D221 | N213-S217 PolarHBondContact O-N 3.29Å; A214-S217 WeakPolarHBondContact O-CB 3.35Å; A214-S217 PolarHBondContact O-N 3.07Å; S217-L219 VanDerWaalsContact C-N 3.33Å; S217-L219 PolarHBondContact O-N 3.38Å; S217-S220 WeakPolarHBondContact O-CA 3.4Å; S217-S220 WeakPolarHBondContact O-CB 3.47Å; S217-S220 PolarHBondContact O-N 3.19Å; S217-S220 PolarHBondContact O-OG 3.42Å; S217-D221 PolarHBondContact O-N 2.84Å |
| 218 | L | 76.9 | Confident | 71.3 | Confident | 102 Ų | 102 | 95.4 Ų | 95.4 | 53% | 0.534 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -58.8 | -42.2 | 179.6 | -71 | 168.4 | 0 | 0 | 0 | 112.2 | A214 F215 S220 D221 V222 | A214-L218 WeakPolarHBondContact O-CG 3.24Å; A214-L218 PolarHBondContact O-N 3Å; F215-L218 PolarHBondContact O-N 2.81Å; L218-S220 VanDerWaalsContact C-N 3.32Å; L218-S220 PolarHBondContact O-N 3.42Å; L218-D221 PolarHBondContact O-N 2.82Å; L218-V222 WeakPolarHBondContact O-CB 3.34Å; L218-V222 VanDerWaalsContact O-CG2 3.26Å; L218-V222 WeakPolarHBondContact O-CG2 3.44Å; L218-V222 PolarHBondContact O-N 2.97Å |
| 219 | L | 72.8 | Confident | 69.2 | Low | 125 Ų | 125 | 94.5 Ų | 94.5 | 65% | 0.654 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.5 | -34.8 | 175.9 | -171.4 | 65.3 | 0 | 0 | 0 | 111.5 | F215 S217 S223 | F215-L219 WeakPolarHBondContact O-CB 3.38Å; F215-L219 PolarHBondContact O-N 3.03Å; S217-L219 VanDerWaalsContact C-N 3.33Å; S217-L219 PolarHBondContact O-N 3.38Å; L219-S223 WeakPolarHBondContact O-CB 3.34Å; L219-S223 PolarHBondContact O-N 3.34Å |
| 220 | S | 67.6 | Low | 67.1 | Low | 53 Ų | 53 | 99.2 Ų | 99.2 | 37% | 0.371 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67.2 | -44.5 | 174 | 81.6 | 0 | 0 | 0 | 0 | 112 | S216 S217 L218 S223 I224 | S216-S220 WeakPolarHBondContact O-CB 3.33Å; S216-S220 PolarHBondContact O-N 2.89Å; S217-S220 WeakPolarHBondContact O-CA 3.4Å; S217-S220 WeakPolarHBondContact O-CB 3.47Å; S217-S220 PolarHBondContact O-N 3.19Å; S217-S220 PolarHBondContact O-OG 3.42Å; L218-S220 VanDerWaalsContact C-N 3.32Å; L218-S220 PolarHBondContact O-N 3.42Å; S220-S223 PolarHBondContact O-N 3.22Å; S220-S223 VanDerWaalsContact O-N 3.14Å; S220-S223 PolarHBondContact O-OG 3.37Å; S220-I224 WeakPolarHBondContact O-CG1 3.46Å; S220-I224 PolarHBondContact O-N 2.91Å; S220-I224 VanDerWaalsContact O-N 3.12Å |
| 221 | D | 65.4 | Low | 65.1 | Low | 92 Ų | 92 | 102 Ų | 102 | 49% | 0.492 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63 | -44.3 | 176 | -72.2 | -49.6 | 0 | 0 | 0 | 111.5 | S217 L218 S223 I224 L225 | S217-D221 PolarHBondContact O-N 2.84Å; L218-D221 PolarHBondContact O-N 2.82Å; D221-S223 VanDerWaalsContact C-N 3.29Å; D221-S223 PolarHBondContact O-N 2.83Å; D221-I224 PolarHBondContact O-N 3.34Å; D221-I224 VanDerWaalsContact O-N 3.16Å; D221-L225 PolarHBondContact O-N 2.94Å |
| 222 | V | 64.6 | Low | 62.9 | Low | 97 Ų | 97 | 109 Ų | 109 | 59% | 0.588 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -65 | -30.6 | 174.5 | 171.1 | 0 | 0 | 0 | 0 | 111.8 | L218 I224 P226 | L218-V222 WeakPolarHBondContact O-CB 3.34Å; L218-V222 VanDerWaalsContact O-CG2 3.26Å; L218-V222 WeakPolarHBondContact O-CG2 3.44Å; L218-V222 PolarHBondContact O-N 2.97Å; V222-I224 VanDerWaalsContact C-N 3.34Å; V222-P226 WeakPolarHBondContact O-CD 3.48Å |
| 223 | S | 56.5 | Low | 60.7 | Low | 63 Ų | 63 | 110.6 Ų | 110.6 | 44% | 0.441 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -72.8 | -24.9 | 174 | 80.3 | 0 | 0 | 0 | 0 | 113.6 | L219 S220 D221 N227 | L219-S223 WeakPolarHBondContact O-CB 3.34Å; L219-S223 PolarHBondContact O-N 3.34Å; S220-S223 PolarHBondContact O-N 3.22Å; S220-S223 VanDerWaalsContact O-N 3.14Å; S220-S223 PolarHBondContact O-OG 3.37Å; D221-S223 VanDerWaalsContact C-N 3.29Å; D221-S223 PolarHBondContact O-N 2.83Å; S223-N227 PolarHBondContact O-ND2 2.91Å |
| 224 | I | 54.8 | Low | 58.2 | Low | 83 Ų | 83 | 110.6 Ų | 110.6 | 43% | 0.426 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -81.7 | -27.7 | 179.2 | -69.7 | 164.7 | 0 | 0 | 0 | 111.6 | S220 D221 V222 | S220-I224 WeakPolarHBondContact O-CG1 3.46Å; S220-I224 PolarHBondContact O-N 2.91Å; S220-I224 VanDerWaalsContact O-N 3.12Å; D221-I224 PolarHBondContact O-N 3.34Å; D221-I224 VanDerWaalsContact O-N 3.16Å; V222-I224 VanDerWaalsContact C-N 3.34Å |
| 225 | L | 54.3 | Low | 55.7 | Low | 132 Ų | 132 | 111.9 Ų | 111.9 | 69% | 0.691 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | -49.3 | -176.6 | -163.9 | 63.6 | 0 | 0 | 0 | 115.5 | D221 N227 R228 | D221-L225 PolarHBondContact O-N 2.94Å; L225-N227 VanDerWaalsContact C-N 3.33Å; L225-N227 PolarHBondContact O-N 2.87Å; L225-R228 PolarHBondContact O-N 3.18Å |
| 226 | P | 46.4 | Very low | 53.1 | Low | 79 Ų | 79 | 113.1 Ų | 113.1 | 51% | 0.513 | 65% | 0.651 | S | S | . | * | G | 310 helix | trans | -66.4 | -36.9 | -179.8 | 26.3 | -34 | 0 | 0 | 0 | 111.8 | V222 R228 A229 | V222-P226 WeakPolarHBondContact O-CD 3.48Å; P226-R228 PolarHBondContact O-N 3.29Å; P226-A229 PolarHBondContact O-N 2.74Å; P226-A229 VanDerWaalsContact O-N 3.09Å |
| 227 | N | 48.3 | Very low | 50.9 | Low | 132 Ų | 132 | 115.1 Ų | 115.1 | 71% | 0.706 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -68.8 | 1.1 | 179.1 | -70.1 | -66.4 | 0 | 0 | 0 | 114.3 | S223 L225 | S223-N227 PolarHBondContact O-ND2 2.91Å; L225-N227 VanDerWaalsContact C-N 3.33Å; L225-N227 PolarHBondContact O-N 2.87Å |
| 228 | R | 47.8 | Very low | 48.8 | Very low | 203 Ų | 203 | 118.1 Ų | 118.1 | 77% | 0.766 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -112.7 | -0.8 | 172.7 | -75 | -175.8 | 169.1 | -180 | 0.3 | 114.4 | L225 P226 | L225-R228 PolarHBondContact O-N 3.18Å; P226-R228 PolarHBondContact O-N 3.29Å |
| 229 | A | 44 | Very low | 46.6 | Very low | 80 Ų | 80 | 120.7 Ų | 120.7 | 66% | 0.661 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | -33.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | P226 | P226-A229 PolarHBondContact O-N 2.74Å; P226-A229 VanDerWaalsContact O-N 3.09Å |
| 230 | E | 44.2 | Very low | 44.5 | Very low | 181 Ų | 181 | 126 Ų | 126 | 85% | 0.846 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -92.1 | -20.7 | -168.5 | -60.7 | -161.9 | 131.8 | 0 | 0 | 115.3 | K232 | E230-K232 VanDerWaalsContact C-N 3.28Å; E230-K232 PolarHBondContact O-N 3.07Å; E230-K232 VanDerWaalsContact O-N 3.11Å |
| 231 | E | 42.4 | Very low | 42.5 | Very low | 184 Ų | 184 | 128.2 Ų | 128.2 | 86% | 0.86 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | 26 | -173.1 | -146.8 | -167.6 | -170.6 | 0 | 0 | 115.2 | ||
| 232 | K | 43.8 | Very low | 40.7 | Very low | 208 Ų | 208 | 129 Ų | 129 | 90% | 0.904 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.3 | 28.6 | 178.5 | -86.5 | -150.6 | 172.5 | -174 | 0 | 117.8 | E230 | E230-K232 VanDerWaalsContact C-N 3.28Å; E230-K232 PolarHBondContact O-N 3.07Å; E230-K232 VanDerWaalsContact O-N 3.11Å |
| 233 | A | 40.1 | Very low | 38.9 | Very low | 103 Ų | 103 | 130.7 Ų | 130.7 | 85% | 0.851 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -143.9 | 87.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 234 | G | 30.8 | Very low | 37.5 | Very low | 87 Ų | 87 | 135.7 Ų | 135.7 | 90% | 0.897 | 75% | 0.752 | S | S | * | * | trans | 139.8 | 113.8 | 161.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 235 | G | 28.2 | Very low | 36.1 | Very low | 79 Ų | 79 | 136.9 Ų | 136.9 | 81% | 0.814 | 77% | 0.768 | S | S | * | * | trans | -165.3 | -19.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 236 | E | 28.3 | Very low | 34.8 | Very low | 165 Ų | 165 | 138.6 Ų | 138.6 | 77% | 0.771 | 77% | 0.77 | S | S | * | * | trans | -140.5 | 110.3 | 174.2 | -65.1 | -173.1 | -135.4 | 0 | 0 | 108.6 | ||||
| 237 | S | 33.3 | Very low | 34.3 | Very low | 107 Ų | 107 | 142.2 Ų | 142.2 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | 69.3 | 139.4 | 65.2 | 105.1 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 238 | V | 33.6 | Very low | 33.4 | Very low | 126 Ų | 126 | 145 Ų | 145 | 76% | 0.764 | 79% | 0.789 | S | S | * | * | cis | -159.5 | 150.7 | -12.8 | 101.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 239 | Q | 31.6 | Very low | 32.5 | Very low | 155 Ų | 155 | 143.3 Ų | 143.3 | 72% | 0.724 | 79% | 0.79 | S | S | * | * | trans | 40.4 | 126 | 151.6 | -160 | 178.4 | 15.9 | 0 | 0 | 123 | T241 | Q239-T241 HydrophobicContact CG-CG2 4.33Š| ||
| 240 | R | 29.2 | Very low | 31.8 | Very low | 237 Ų | 237 | 144.9 Ų | 144.9 | 89% | 0.894 | 79% | 0.791 | S | S | * | * | trans | -161.6 | 94.2 | 137 | -108.9 | -171.7 | -80.8 | 154.9 | -8.7 | 109.3 | ||||
| 241 | T | 25.7 | Very low | 31 | Very low | 100 Ų | 100 | 139.6 Ų | 139.6 | 61% | 0.613 | 79% | 0.785 | S | S | * | * | 95.8 | 106.8 | 79.7 | 49.8 | 0 | 0 | 0 | 0 | 114.7 | Q239 | Q239-T241 HydrophobicContact CG-CG2 4.33Š| |||
| 242 | S | 25.8 | Very low | 30.4 | Very low | 109 Ų | 109 | 138.8 Ų | 138.8 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | trans | 60.2 | 122.1 | 149.2 | -160.1 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 243 | V | 28.3 | Very low | 30.3 | Very low | 132 Ų | 132 | 133.9 Ų | 133.9 | 80% | 0.8 | 78% | 0.776 | S | S | * | * | -146.4 | 126.1 | 104.3 | 176.7 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 244 | Q | 27.1 | Very low | 29.7 | Very low | 168 Ų | 168 | 136.5 Ų | 136.5 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | -5.1 | 131.4 | 159 | -57.6 | 163.1 | -67.7 | 0 | 0 | 122.9 | ||||
| 245 | S | 25.4 | Very low | 29.6 | Very low | 108 Ų | 108 | 139.5 Ų | 139.5 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | -167.9 | 94.9 | 127.1 | 57.8 | 0 | 0 | 0 | 0 | 108 | |||||
| 246 | F | 27 | Very low | 29.6 | Very low | 168 Ų | 168 | 142.4 Ų | 142.4 | 74% | 0.737 | 77% | 0.765 | S | S | * | * | 64.8 | 123.3 | 73 | 127.8 | -65.6 | 0 | 0 | 0 | 112.9 | |||||
| 247 | E | 34.8 | Very low | 29.6 | Very low | 154 Ų | 154 | 139.9 Ų | 139.9 | 72% | 0.72 | 76% | 0.761 | S | S | * | * | cis | -98.1 | -124.2 | -10 | -58.6 | -73.1 | 40.5 | 0 | 0 | 111.4 | ||||
| 248 | E | 30.2 | Very low | 29.5 | Very low | 192 Ų | 192 | 140.7 Ų | 140.7 | 90% | 0.897 | 77% | 0.766 | S | S | * | * | cis | -149.4 | -164 | 0.2 | -149.3 | 166.2 | 118.1 | 0 | 0 | 110.7 | ||||
| 249 | E | 28.8 | Very low | 29.2 | Very low | 166 Ų | 166 | 137.7 Ų | 137.7 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | trans | -124.1 | 163.9 | -159.6 | -123.6 | -163.9 | 94.8 | 0 | 0 | 111.6 | ||||
| 250 | T | 29.4 | Very low | 29 | Very low | 114 Ų | 114 | 136.8 Ų | 136.8 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | cis | -152.2 | 153.5 | 2.4 | -33.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 251 | G | 26.3 | Very low | 29.2 | Very low | 69 Ų | 69 | 132.3 Ų | 132.3 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | trans | 91.7 | 108.8 | 141.4 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 252 | N | 31.5 | Very low | 29.4 | Very low | 167 Ų | 167 | 131.3 Ų | 131.3 | 89% | 0.893 | 77% | 0.774 | S | S | * | * | trans | -113.4 | 163.2 | 141.3 | -90.2 | -57.8 | 0 | 0 | 0 | 106.6 | ||||
| 253 | P | 40.3 | Very low | 29.9 | Very low | 105 Ų | 105 | 130.6 Ų | 130.6 | 68% | 0.682 | 78% | 0.775 | S | S | * | * | cis | -145.5 | -169 | 24.3 | 42.3 | -21.7 | 0 | 0 | 0 | 116.9 | ||||
| 254 | L | 28.4 | Very low | 30 | Very low | 158 Ų | 158 | 136.1 Ų | 136.1 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | trans | 86 | 109.4 | 153.1 | -69.5 | 173.9 | 0 | 0 | 0 | 121.9 | ||||
| 255 | D | 27.7 | Very low | 30.6 | Very low | 150 Ų | 150 | 134.3 Ų | 134.3 | 80% | 0.802 | 78% | 0.781 | S | S | * | * | 89.3 | 160 | 121.6 | -151.8 | 16.4 | 0 | 0 | 0 | 121.4 | |||||
| 256 | M | 28 | Very low | 30.9 | Very low | 141 Ų | 141 | 137.3 Ų | 137.3 | 70% | 0.695 | 79% | 0.789 | S | S | * | * | trans | 76.3 | 95.2 | 168.2 | -73.9 | -165.9 | 62.4 | 0 | 0 | 121.8 | ||||
| 257 | T | 28.1 | Very low | 31.3 | Very low | 112 Ų | 112 | 140.9 Ų | 140.9 | 69% | 0.687 | 80% | 0.798 | S | S | * | * | 72.7 | 146.5 | 127.6 | 65.6 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 258 | S | 31.6 | Very low | 31 | Very low | 123 Ų | 123 | 138 Ų | 138 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | trans | 75 | 125.3 | 152.5 | -56.2 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 259 | G | 27.1 | Very low | 31.2 | Very low | 63 Ų | 63 | 136.2 Ų | 136.2 | 65% | 0.649 | 80% | 0.796 | S | S | * | * | 115.4 | 70.9 | 118.7 | 0 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 260 | T | 28.5 | Very low | 31.5 | Very low | 137 Ų | 137 | 133.4 Ų | 133.4 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | trans | 72.6 | 151.5 | 132.3 | -41.3 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 261 | V | 33.3 | Very low | 31.6 | Very low | 143 Ų | 143 | 133.9 Ų | 133.9 | 87% | 0.867 | 80% | 0.801 | S | S | * | * | trans | 73.4 | 102.6 | 175.6 | -164.8 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 262 | G | 30.7 | Very low | 32 | Very low | 79 Ų | 79 | 138.9 Ų | 138.9 | 81% | 0.814 | 81% | 0.806 | S | S | * | * | trans | -164.8 | 62.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 263 | A | 35 | Very low | 32.1 | Very low | 93 Ų | 93 | 136.7 Ų | 136.7 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | trans | -75.4 | 131.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 264 | R | 30.3 | Very low | 31.6 | Very low | 249 Ų | 249 | 139 Ų | 139 | 94% | 0.94 | 81% | 0.81 | S | S | * | * | -149.5 | 168.6 | 117.6 | -61.6 | -156.3 | -170.2 | -89.8 | -12.4 | 108.9 | |||||
| 265 | V | 39.5 | Very low | 31.9 | Very low | 130 Ų | 130 | 137 Ų | 137 | 79% | 0.788 | 81% | 0.81 | S | S | * | * | trans | -90.2 | 141.3 | -178.9 | 173.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 266 | D | 31.7 | Very low | 32.5 | Very low | 171 Ų | 171 | 136.1 Ų | 136.1 | 91% | 0.914 | 82% | 0.815 | S | S | * | * | trans | -140 | 154.8 | 148.3 | -103.8 | -47.7 | 0 | 0 | 0 | 110.6 | ||||
| 267 | R | 35 | Very low | 32.7 | Very low | 243 Ų | 243 | 132.9 Ų | 132.9 | 92% | 0.917 | 82% | 0.819 | S | S | * | * | trans | -119.5 | 112.1 | -162.8 | 176.4 | -177.6 | 179.7 | 145.8 | -1.4 | 110.9 | ||||
| 268 | A | 30 | Very low | 32.6 | Very low | 92 Ų | 92 | 136.8 Ų | 136.8 | 76% | 0.76 | 83% | 0.826 | S | S | * | * | trans | -124.4 | 140.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 269 | N | 34.5 | Very low | 32.8 | Very low | 156 Ų | 156 | 139 Ų | 139 | 83% | 0.834 | 83% | 0.828 | S | S | * | * | trans | -69.2 | 138.8 | 174.1 | 48.6 | -25.5 | 0 | 0 | 0 | 112.7 | ||||
| 270 | S | 35.2 | Very low | 33 | Very low | 106 Ų | 106 | 144.5 Ų | 144.5 | 74% | 0.741 | 84% | 0.837 | S | S | * | * | trans | -148.4 | 122.5 | 154.5 | -165.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 271 | C | 30.7 | Very low | 33.2 | Very low | 124 Ų | 124 | 146.4 Ų | 146.4 | 84% | 0.838 | 84% | 0.836 | S | S | * | * | trans | -103.1 | 117.1 | 174.4 | -60.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 272 | Q | 34.3 | Very low | 33.3 | Very low | 175 Ų | 175 | 145.3 Ų | 145.3 | 82% | 0.818 | 83% | 0.832 | S | S | * | * | trans | -122.4 | 143.9 | 160.6 | -63.3 | -159.4 | -103.7 | 0 | 0 | 107.9 | ||||
| 273 | S | 34.5 | Very low | 33.2 | Very low | 121 Ų | 121 | 149.8 Ų | 149.8 | 85% | 0.846 | 84% | 0.836 | S | S | * | * | trans | -130.5 | 111.6 | -169.7 | -57 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 274 | D | 30 | Very low | 32.9 | Very low | 152 Ų | 152 | 154.1 Ų | 154.1 | 81% | 0.813 | 84% | 0.84 | S | S | * | * | trans | -146.7 | 158 | 170.4 | 40.4 | -29.2 | 0 | 0 | 0 | 110.4 | ||||
| 275 | S | 34.5 | Very low | 33.1 | Very low | 117 Ų | 117 | 148 Ų | 148 | 82% | 0.818 | 83% | 0.833 | S | S | * | * | trans | -108.3 | 173 | -139 | -56 | 0 | 0 | 0 | 0 | 116 | ||||
| 276 | S | 40.3 | Very low | 32.5 | Very low | 131 Ų | 131 | 150 Ų | 150 | 92% | 0.916 | 84% | 0.838 | S | S | * | * | trans | 84.6 | 139.8 | 162.4 | 77.9 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 277 | G | 31.3 | Very low | 32.7 | Very low | 74 Ų | 74 | 147.3 Ų | 147.3 | 76% | 0.763 | 83% | 0.83 | S | S | * | * | trans | -175.7 | 52.9 | -171.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 278 | F | 26.5 | Very low | 32.3 | Very low | 193 Ų | 193 | 142.9 Ų | 142.9 | 85% | 0.846 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 131.6 | 167.7 | -165.3 | -98.2 | 0 | 0 | 0 | 107.4 | ||
| 279 | L | 35.4 | Very low | 32.2 | Very low | 170 Ų | 170 | 146.7 Ų | 146.7 | 89% | 0.89 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 121.4 | 178.4 | -75.6 | 176.1 | 0 | 0 | 0 | 110 | ||
| 280 | E | 32.8 | Very low | 31.8 | Very low | 179 Ų | 179 | 146.8 Ų | 146.8 | 84% | 0.836 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -103.5 | 149.4 | 175.8 | -160.5 | 167.5 | 131.6 | 0 | 0 | 110.2 | ||
| 281 | E | 31.4 | Very low | 31.7 | Very low | 177 Ų | 177 | 147.2 Ų | 147.2 | 83% | 0.827 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 142.4 | -172 | -164.1 | 171.7 | -177 | 0 | 0 | 111.8 | ||
| 282 | P | 35 | Very low | 31.4 | Very low | 119 Ų | 119 | 146.1 Ų | 146.1 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 140.2 | -171.4 | 30.3 | -35.8 | 0 | 0 | 0 | 113.7 | ||
| 283 | L | 28.4 | Very low | 31.2 | Very low | 174 Ų | 174 | 145.8 Ų | 145.8 | 91% | 0.911 | 82% | 0.82 | S | S | * | * | trans | -123.3 | 142.8 | 168.4 | -69.3 | 176.8 | 0 | 0 | 0 | 111.7 | ||||
| 284 | E | 28.9 | Very low | 31.1 | Very low | 183 Ų | 183 | 145.8 Ų | 145.8 | 86% | 0.855 | 82% | 0.817 | S | S | * | * | trans | -81.5 | 156.1 | -175.7 | -71.9 | -171.6 | 113 | 0 | 0 | 113.9 | ||||
| 285 | P | 34.5 | Very low | 30.8 | Very low | 122 Ų | 122 | 145.9 Ų | 145.9 | 79% | 0.792 | 82% | 0.818 | S | S | * | * | trans | -89.6 | 141.5 | -167.2 | 33.8 | -35.9 | 0 | 0 | 0 | 115.5 | ||||
| 286 | L | 27.3 | Very low | 30.5 | Very low | 171 Ų | 171 | 144.9 Ų | 144.9 | 90% | 0.895 | 81% | 0.811 | S | S | * | * | trans | -108.7 | 134.9 | 162.5 | -82.6 | 86.5 | 0 | 0 | 0 | 111.8 | ||||
| 287 | P | 36.7 | Very low | 29.8 | Very low | 114 Ų | 114 | 148 Ų | 148 | 74% | 0.74 | 81% | 0.811 | S | S | * | * | trans | -113.4 | 168.5 | 174.6 | 39.4 | -32.1 | 0 | 0 | 0 | 115.3 | ||||
| 288 | L | 26.1 | Very low | 29.6 | Very low | 150 Ų | 150 | 149.6 Ų | 149.6 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | trans | 93.7 | 77.8 | 160 | -50.2 | -174.2 | 0 | 0 | 0 | 121.1 | ||||
| 289 | Q | 27 | Very low | 30.1 | Very low | 173 Ų | 173 | 146.4 Ų | 146.4 | 81% | 0.808 | 81% | 0.809 | S | S | * | * | 50.2 | 111.3 | 121.6 | -64.1 | -178.1 | -1.1 | 0 | 0 | 122.6 | |||||
| 290 | M | 28.1 | Very low | 29.6 | Very low | 158 Ų | 158 | 142.7 Ų | 142.7 | 78% | 0.778 | 80% | 0.803 | S | S | * | * | 52.9 | 142.2 | 113.9 | -62.7 | -54.4 | -80.5 | 0 | 0 | 121 | |||||
| 291 | P | 32.3 | Very low | 29.4 | Very low | 115 Ų | 115 | 142.6 Ų | 142.6 | 75% | 0.747 | 80% | 0.802 | S | S | * | * | -152.1 | 156.7 | 52.4 | 41.1 | -20.1 | 0 | 0 | 0 | 121.3 | |||||
| 292 | S | 25.2 | Very low | 29.3 | Very low | 101 Ų | 101 | 141 Ų | 141 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | trans | 43.5 | 126.4 | 139.2 | -52.9 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 293 | L | 29 | Very low | 28.9 | Very low | 168 Ų | 168 | 139.3 Ų | 139.3 | 88% | 0.88 | 80% | 0.804 | S | S | * | * | trans | -65.6 | 166.1 | 158.7 | -66 | 162.6 | 0 | 0 | 0 | 112.4 | ||||
| 294 | P | 33.2 | Very low | 28.8 | Very low | 121 Ų | 121 | 134.9 Ų | 134.9 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | -151.5 | 162.7 | 98.1 | 41 | -25.1 | 0 | 0 | 0 | 118.3 | |||||
| 295 | N | 22.1 | Very low | 28.9 | Very low | 154 Ų | 154 | 138 Ų | 138 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | trans | 83.3 | 157.4 | 147.1 | -145.5 | 36.2 | 0 | 0 | 0 | 120.9 | ||||
| 296 | S | 29.4 | Very low | 28.8 | Very low | 96 Ų | 96 | 140.9 Ų | 140.9 | 67% | 0.671 | 80% | 0.804 | S | S | * | * | trans | -131.1 | 147.8 | -171.3 | 55.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 297 | Q | 25.6 | Very low | 29.2 | Very low | 195 Ų | 195 | 138.3 Ų | 138.3 | 91% | 0.911 | 80% | 0.798 | S | S | * | * | trans | -171.4 | 156.3 | 155.3 | -109.1 | 159.5 | 24.1 | 0 | 0 | 112.1 | ||||
| 298 | S | 26.6 | Very low | 28.7 | Very low | 109 Ų | 109 | 142 Ų | 142 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | trans | -108.9 | 180 | 169.4 | 63.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 299 | P | 36.9 | Very low | 28.7 | Very low | 125 Ų | 125 | 139.3 Ų | 139.3 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | cis | -133.4 | -153.6 | 11.2 | 43.3 | -23.2 | 0 | 0 | 0 | 114.2 | ||||
| 300 | A | 25.9 | Very low | 28.7 | Very low | 92 Ų | 92 | 139 Ų | 139 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | trans | -88 | 162.4 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 301 | E | 28.7 | Very low | 28.7 | Very low | 177 Ų | 177 | 134.9 Ų | 134.9 | 83% | 0.827 | 77% | 0.769 | S | S | * | * | trans | -164.9 | 179.1 | 138.5 | -107.4 | -122.1 | 70.1 | 0 | 0 | 114.4 | ||||
| 302 | N | 28.3 | Very low | 28.5 | Very low | 143 Ų | 143 | 137.6 Ų | 137.6 | 77% | 0.765 | 77% | 0.771 | S | S | * | * | trans | -76.3 | 141.3 | -158.1 | -72.8 | -81.6 | 0 | 0 | 0 | 118.1 | ||||
| 303 | G | 26.7 | Very low | 28.4 | Very low | 84 Ų | 84 | 137.1 Ų | 137.1 | 87% | 0.866 | 77% | 0.768 | S | S | * | * | 76.4 | 110.5 | 118 | 0 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 304 | G | 25.9 | Very low | 28.3 | Very low | 81 Ų | 81 | 136.6 Ų | 136.6 | 84% | 0.835 | 77% | 0.765 | S | S | * | * | trans | -155.5 | 154.8 | 164.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 305 | R | 32.1 | Very low | 27.9 | Very low | 250 Ų | 250 | 136.3 Ų | 136.3 | 94% | 0.943 | 76% | 0.761 | S | S | * | * | trans | -119.7 | 141.2 | -171.9 | -65 | -176.7 | -175.9 | -114.1 | 1.4 | 114 | ||||
| 306 | K | 32.2 | Very low | 28.1 | Very low | 181 Ų | 181 | 134.1 Ų | 134.1 | 79% | 0.787 | 76% | 0.758 | S | S | * | * | trans | 15.8 | 149 | 138.8 | -94 | -176.6 | 178.3 | 176.4 | 0 | 120 | ||||
| 307 | P | 35.9 | Very low | 28 | Very low | 117 Ų | 117 | 134.4 Ų | 134.4 | 76% | 0.76 | 76% | 0.76 | S | S | * | * | cis | -128.7 | 172.9 | 49.8 | 37.5 | -19.4 | 0 | 0 | 0 | 113.7 | ||||
| 308 | R | 26 | Very low | 28 | Very low | 191 Ų | 191 | 134 Ų | 134 | 72% | 0.721 | 76% | 0.758 | S | S | * | * | 50.3 | 136.9 | 59.3 | -94.1 | -159 | 171.5 | -141 | 8.6 | 112.5 | |||||
| 309 | D | 26 | Very low | 27.9 | Very low | 94 Ų | 94 | 135.5 Ų | 135.5 | 50% | 0.503 | 76% | 0.757 | S | S | . | * | cis | -163.3 | 177 | 6.1 | -132.7 | -8.1 | 0 | 0 | 0 | 109.1 | ||||
| 310 | Q | 27.1 | Very low | 27.4 | Very low | 166 Ų | 166 | 134 Ų | 134 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | trans | 68.9 | 161.9 | 162 | -67.9 | 162 | 65.1 | 0 | 0 | 118.6 | ||||
| 311 | S | 28 | Very low | 27.4 | Very low | 73 Ų | 73 | 137 Ų | 137 | 51% | 0.51 | 75% | 0.747 | S | S | . | * | -175.1 | 177.5 | -58.5 | 40.5 | 0 | 0 | 0 | 0 | 111 | |||||
| 312 | H | 26.8 | Very low | 27.4 | Very low | 172 Ų | 172 | 135.2 Ų | 135.2 | 80% | 0.796 | 74% | 0.742 | S | S | * | * | trans | 75.3 | 159.6 | 171.1 | -30.6 | -76.8 | 0 | 0 | 0 | 115.1 | ||||
| 313 | S | 24.6 | Very low | 27.2 | Very low | 91 Ų | 91 | 137.1 Ų | 137.1 | 64% | 0.636 | 75% | 0.747 | S | S | * | * | cis | -158.7 | 150 | 3.5 | 92.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 314 | L | 26.7 | Very low | 27.2 | Very low | 156 Ų | 156 | 137.6 Ų | 137.6 | 82% | 0.817 | 74% | 0.737 | S | S | * | * | trans | 62.5 | 167.9 | 145.7 | -62.2 | 173 | 0 | 0 | 0 | 118.6 | ||||
| 315 | V | 23.5 | Very low | 27.2 | Very low | 116 Ų | 116 | 141.9 Ų | 141.9 | 70% | 0.703 | 74% | 0.741 | S | S | * | * | cis | -179.7 | 160.3 | -47.2 | 125.3 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 316 | S | 26.3 | Very low | 27.2 | Very low | 107 Ų | 107 | 132.4 Ų | 132.4 | 75% | 0.748 | 72% | 0.72 | S | S | * | * | trans | 70.2 | 160.4 | 172 | -83.8 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 317 | S | 27.9 | Very low | 28.1 | Very low | 102 Ų | 102 | 129.4 Ų | 129.4 | 71% | 0.713 | 72% | 0.719 | S | S | * | * | cis | 178.4 | -173.1 | -31.4 | 58.3 | 0 | 0 | 0 | 0 | 107 | ||||
| 318 | Q | 26.1 | Very low | 27.7 | Very low | 188 Ų | 188 | 129 Ų | 129 | 88% | 0.879 | 71% | 0.711 | S | S | * | * | trans | 79.3 | 124.1 | 172.6 | -152.3 | 157.1 | 50.6 | 0 | 0 | 113.9 | ||||
| 319 | D | 24.4 | Very low | 27.9 | Very low | 140 Ų | 140 | 125 Ų | 125 | 75% | 0.749 | 71% | 0.712 | S | S | * | * | cis | 132.2 | 149 | -6 | -176.4 | 26.2 | 0 | 0 | 0 | 109.8 | ||||
| 320 | C | 26 | Very low | 28 | Very low | 93 Ų | 93 | 128.9 Ų | 128.9 | 63% | 0.628 | 73% | 0.725 | S | S | * | * | trans | 67 | 147.5 | -178.8 | -65.8 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 321 | Q | 26.7 | Very low | 28 | Very low | 156 Ų | 156 | 126.4 Ų | 126.4 | 73% | 0.729 | 73% | 0.726 | S | S | * | * | cis | -165 | 149.6 | -11.6 | -118.8 | 179.4 | 21.3 | 0 | 0 | 111 | ||||
| 322 | L | 28.1 | Very low | 27.9 | Very low | 139 Ų | 139 | 133.8 Ų | 133.8 | 73% | 0.728 | 74% | 0.742 | S | S | * | * | trans | 58.2 | 160.4 | 150.3 | -64.4 | 167.4 | 0 | 0 | 0 | 118.1 | ||||
| 323 | E | 24.3 | Very low | 27.8 | Very low | 183 Ų | 183 | 129.9 Ų | 129.9 | 86% | 0.855 | 74% | 0.739 | S | S | * | * | cis | -131 | 149.2 | 10.7 | -156.1 | 158.9 | 125.4 | 0 | 0 | 112 | ||||
| 324 | S | 26.6 | Very low | 27.8 | Very low | 94 Ų | 94 | 131.5 Ų | 131.5 | 66% | 0.657 | 75% | 0.751 | S | S | * | * | trans | -93.4 | 149.2 | -176.7 | 170 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 325 | D | 25.4 | Very low | 27.7 | Very low | 171 Ų | 171 | 132.7 Ų | 132.7 | 91% | 0.914 | 76% | 0.755 | S | S | * | * | trans | -151.3 | 148.7 | 139.2 | -133.6 | -15.2 | 0 | 0 | 0 | 115.7 | ||||
| 326 | G | 32.2 | Very low | 27.9 | Very low | 50 Ų | 50 | 132 Ų | 132 | 52% | 0.515 | 76% | 0.755 | S | S | . | * | trans | 118.2 | 168.3 | -165.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 327 | P | 51.4 | Low | 27.8 | Very low | 118 Ų | 118 | 134.7 Ų | 134.7 | 77% | 0.766 | 75% | 0.754 | S | S | * | * | cis | -136.9 | -147.2 | 4.3 | 41.2 | -20 | 0 | 0 | 0 | 112.9 | ||||
| 328 | D | 27.7 | Very low | 27.8 | Very low | 108 Ų | 108 | 133.6 Ų | 133.6 | 58% | 0.578 | 75% | 0.746 | S | S | * | * | trans | 65.6 | 121.5 | 149.7 | -90.5 | 29.5 | 0 | 0 | 0 | 122.9 | K330 | D328-K330 IonicContact OD2-NZ 3.21Å; D328-K330 PolarHBondContact OD2-NZ 3.46Å | ||
| 329 | S | 31 | Very low | 27.8 | Very low | 108 Ų | 108 | 130.5 Ų | 130.5 | 76% | 0.755 | 75% | 0.745 | S | S | * | * | 172.5 | 127 | 110.1 | -77.1 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 330 | K | 28 | Very low | 28 | Very low | 175 Ų | 175 | 127.7 Ų | 127.7 | 76% | 0.761 | 73% | 0.727 | S | S | * | * | 69 | 94.6 | 65 | -74.4 | 177.6 | -179.6 | 129.5 | 0 | 116.4 | D328 | D328-K330 IonicContact OD2-NZ 3.21Å; D328-K330 PolarHBondContact OD2-NZ 3.46Å | |||
| 331 | S | 26.6 | Very low | 28.2 | Very low | 114 Ų | 114 | 128.5 Ų | 128.5 | 80% | 0.797 | 72% | 0.722 | S | S | * | * | trans | -170.3 | 123.3 | 139.7 | -167.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 332 | R | 25.2 | Very low | 28.1 | Very low | 229 Ų | 229 | 125.6 Ų | 125.6 | 86% | 0.864 | 71% | 0.714 | S | S | * | * | cis | 84.2 | 79.8 | 43.1 | -154.4 | -172.4 | 93.3 | 148 | 5.1 | 115.1 | ||||
| 333 | A | 24.6 | Very low | 27.9 | Very low | 89 Ų | 89 | 127.3 Ų | 127.3 | 74% | 0.736 | 72% | 0.724 | S | S | * | * | trans | 51.9 | 120.9 | 146 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 334 | S | 25.9 | Very low | 28.1 | Very low | 125 Ų | 125 | 122.3 Ų | 122.3 | 87% | 0.874 | 71% | 0.714 | S | S | * | * | 173.9 | 162 | 114 | -75.3 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 335 | M | 23.8 | Very low | 28.2 | Very low | 182 Ų | 182 | 125.5 Ų | 125.5 | 90% | 0.897 | 72% | 0.723 | S | S | * | * | trans | -89.5 | 149.7 | 178.6 | -45.6 | 171.1 | -162 | 0 | 0 | 112 | ||||
| 336 | S | 27 | Very low | 28.3 | Very low | 102 Ų | 102 | 124.3 Ų | 124.3 | 71% | 0.713 | 71% | 0.712 | S | S | * | * | 159.9 | 120.7 | 119.1 | -74.1 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 337 | F | 25.6 | Very low | 28.1 | Very low | 163 Ų | 163 | 129.1 Ų | 129.1 | 72% | 0.715 | 72% | 0.721 | S | S | * | * | trans | 43.8 | 122 | 138.9 | -59.1 | -64.5 | 0 | 0 | 0 | 124.5 | ||||
| 338 | S | 26.3 | Very low | 27 | Very low | 79 Ų | 79 | 135.1 Ų | 135.1 | 55% | 0.552 | 73% | 0.728 | S | S | * | * | 77.8 | 125.7 | 128 | -154.2 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 339 | S | 27.1 | Very low | 26.8 | Very low | 122 Ų | 122 | 134.6 Ų | 134.6 | 85% | 0.853 | 74% | 0.739 | S | S | * | * | -163.1 | 140.4 | 116.8 | -103.9 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 340 | Q | 28.6 | Very low | 26.9 | Very low | 82 Ų | 82 | 135.2 Ų | 135.2 | 38% | 0.383 | 74% | 0.744 | S | S | . | * | trans | -66.7 | 168.5 | 159.9 | -85.7 | 177.8 | -109.3 | 0 | 0 | 111.7 | T457 Q458 | Q340-T457 PolarHBondContact NE2-OG1 3.3Å; Q340-Q458 VanDerWaalsContact OE1-CG 3.3Å | ||
| 341 | E | 29.7 | Very low | 26.6 | Very low | 110 Ų | 110 | 134.1 Ų | 134.1 | 51% | 0.514 | 75% | 0.751 | S | S | . | * | cis | 179 | -177.2 | -18.6 | -168.4 | -161.3 | 146.7 | 0 | 0 | 107.2 | H456 | E341-H456 IonicContact OE1-CD2 2.76Å; E341-H456 IonicContact OE1-NE2 3.64Å; E341-H456 IonicContact OE2-CD2 3.17Å; E341-H456 PolarHBondContact OE2-CD2 3.47Å | ||
| 342 | V | 25 | Very low | 26.5 | Very low | 95 Ų | 95 | 133.8 Ų | 133.8 | 58% | 0.576 | 75% | 0.749 | S | S | * | * | trans | 57.6 | 123.8 | 161.5 | -141.9 | 0 | 0 | 0 | 0 | 119.4 | A344 | V342-A344 HydrophobicContact CG1-CB 4.36Š| ||
| 343 | N | 23.5 | Very low | 26.4 | Very low | 174 Ų | 174 | 129 Ų | 129 | 93% | 0.93 | 75% | 0.745 | S | S | * | * | -145.8 | 130.9 | 120.2 | -100.6 | -64.2 | 0 | 0 | 0 | 108.5 | |||||
| 344 | A | 28.9 | Very low | 26.7 | Very low | 78 Ų | 78 | 133 Ų | 133 | 65% | 0.645 | 75% | 0.75 | S | S | * | * | trans | -141.8 | 126.9 | -174 | 0 | 0 | 0 | 0 | 0 | 111.3 | V342 | V342-A344 HydrophobicContact CG1-CB 4.36Š| ||
| 345 | L | 28.5 | Very low | 26.8 | Very low | 161 Ų | 161 | 135.7 Ų | 135.7 | 84% | 0.843 | 75% | 0.749 | S | S | * | * | trans | -174.2 | 149.3 | 169.1 | -122.9 | 66.7 | 0 | 0 | 0 | 106.6 | ||||
| 346 | E | 27.8 | Very low | 27 | Very low | 146 Ų | 146 | 135.3 Ų | 135.3 | 68% | 0.682 | 75% | 0.745 | S | S | * | * | cis | -152.1 | 138 | -1.7 | -157.5 | 172.1 | 165.6 | 0 | 0 | 113.3 | ||||
| 347 | Q | 27.2 | Very low | 27.1 | Very low | 152 Ų | 152 | 138.7 Ų | 138.7 | 71% | 0.71 | 75% | 0.75 | S | S | * | * | trans | 3.8 | 130.2 | 156.5 | -50.5 | 171.2 | 29 | 0 | 0 | 121.8 | ||||
| 348 | R | 29.7 | Very low | 27 | Very low | 243 Ų | 243 | 140.3 Ų | 140.3 | 92% | 0.917 | 76% | 0.757 | S | S | * | * | -139.2 | 107.7 | 125.3 | -57.5 | -64.3 | 174 | -150.9 | -4.1 | 106.6 | |||||
| 349 | A | 23.5 | Very low | 27 | Very low | 97 Ų | 97 | 143.2 Ų | 143.2 | 80% | 0.802 | 77% | 0.765 | S | S | * | * | 74 | 109.7 | 86 | 0 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 350 | S | 32 | Very low | 27 | Very low | 122 Ų | 122 | 146.1 Ų | 146.1 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | trans | -102.1 | 160.6 | -175.6 | -40.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 351 | V | 21.5 | Very low | 26.8 | Very low | 152 Ų | 152 | 150.4 Ų | 150.4 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | trans | -135.9 | 147.9 | 162.9 | 177.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 352 | S | 24.6 | Very low | 26.8 | Very low | 106 Ų | 106 | 149.4 Ų | 149.4 | 74% | 0.741 | 80% | 0.801 | S | S | * | * | trans | -126 | 161.1 | -172.3 | 56.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 353 | V | 24.1 | Very low | 27 | Very low | 129 Ų | 129 | 153.8 Ų | 153.8 | 78% | 0.782 | 82% | 0.817 | S | S | * | * | trans | 172.6 | 121.5 | 157.9 | 139.2 | 0 | 0 | 0 | 0 | 104.1 | ||||
| 354 | M | 30.1 | Very low | 27.1 | Very low | 173 Ų | 173 | 155.1 Ų | 155.1 | 85% | 0.852 | 82% | 0.818 | S | S | * | * | cis | 72.2 | 94.6 | 32.8 | -165.3 | -158.6 | -65.1 | 0 | 0 | 114.9 | ||||
| 355 | E | 27.6 | Very low | 27.2 | Very low | 181 Ų | 181 | 154.2 Ų | 154.2 | 85% | 0.846 | 82% | 0.817 | S | S | * | * | trans | 173.1 | 154.7 | 154.8 | -100.4 | 167.1 | -150.9 | 0 | 0 | 106.8 | ||||
| 356 | E | 28.9 | Very low | 27.6 | Very low | 174 Ų | 174 | 152.2 Ų | 152.2 | 81% | 0.813 | 81% | 0.813 | S | S | * | * | cis | -152 | 168.9 | -41.6 | -149 | 177.5 | -151.3 | 0 | 0 | 107.7 | ||||
| 357 | E | 28.8 | Very low | 27.8 | Very low | 174 Ų | 174 | 151.8 Ų | 151.8 | 81% | 0.813 | 82% | 0.823 | S | S | * | * | trans | -87.3 | 135.2 | 177.2 | -176.8 | 173.4 | -148.3 | 0 | 0 | 110.6 | ||||
| 358 | F | 23.1 | Very low | 27.9 | Very low | 197 Ų | 197 | 153.2 Ų | 153.2 | 86% | 0.864 | 83% | 0.83 | S | S | * | * | trans | -139.2 | 132.2 | 170.3 | -124.3 | -85.5 | 0 | 0 | 0 | 113.2 | ||||
| 359 | L | 26.4 | Very low | 28.1 | Very low | 139 Ų | 139 | 149.4 Ų | 149.4 | 73% | 0.728 | 83% | 0.827 | S | S | * | * | trans | -80.1 | 147.3 | -172.5 | -67.6 | 148.1 | 0 | 0 | 0 | 113 | ||||
| 360 | L | 27.3 | Very low | 28.2 | Very low | 183 Ų | 183 | 155.7 Ų | 155.7 | 96% | 0.958 | 83% | 0.831 | S | S | * | * | trans | -142.6 | 118.8 | 135.5 | -97.3 | 179.2 | 0 | 0 | 0 | 109.8 | ||||
| 361 | E | 25.5 | Very low | 28.2 | Very low | 172 Ų | 172 | 156.5 Ų | 156.5 | 80% | 0.804 | 83% | 0.825 | S | S | * | * | trans | -119.6 | 113.3 | 175.8 | -179.9 | -175.5 | -172.7 | 0 | 0 | 109.4 | ||||
| 362 | A | 27.9 | Very low | 28.6 | Very low | 90 Ų | 90 | 155.4 Ų | 155.4 | 74% | 0.744 | 82% | 0.82 | S | S | * | * | trans | -174.3 | 102.1 | 159 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 363 | M | 30.1 | Very low | 28.6 | Very low | 186 Ų | 186 | 157.8 Ų | 157.8 | 92% | 0.916 | 83% | 0.825 | S | S | * | * | 65.6 | 99.2 | 87.4 | -74.9 | -170.2 | 65.4 | 0 | 0 | 114.5 | |||||
| 364 | E | 26.1 | Very low | 28.9 | Very low | 202 Ų | 202 | 159.9 Ų | 159.9 | 94% | 0.944 | 83% | 0.829 | S | S | * | * | trans | -139.6 | 147.8 | 146.4 | -165.4 | 148.6 | -137.8 | 0 | 0 | 109.2 | ||||
| 365 | G | 31.8 | Very low | 28.7 | Very low | 60 Ų | 60 | 156.3 Ų | 156.3 | 62% | 0.619 | 83% | 0.826 | S | S | * | * | trans | -100.3 | -176.1 | -168.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 366 | P | 35 | Very low | 28.9 | Very low | 119 Ų | 119 | 153.4 Ų | 153.4 | 77% | 0.773 | 83% | 0.825 | S | S | * | * | trans | -70.3 | 141.9 | 176.5 | 30.4 | -34.8 | 0 | 0 | 0 | 111.6 | E368 | P366-E368 PolarHBondContact O-N 3.44Š| ||
| 367 | P | 33.2 | Very low | 28.8 | Very low | 136 Ų | 136 | 149.4 Ų | 149.4 | 88% | 0.883 | 82% | 0.821 | S | S | * | * | trans | -79.9 | 98.7 | 175.7 | 31.3 | -33.3 | 0 | 0 | 0 | 111.3 | ||||
| 368 | E | 28.5 | Very low | 28.9 | Very low | 182 Ų | 182 | 150.2 Ų | 150.2 | 85% | 0.85 | 82% | 0.822 | S | S | * | * | trans | -80.7 | 157.5 | 163.3 | -77.6 | -160.2 | 135.5 | 0 | 0 | 112.2 | P366 | P366-E368 PolarHBondContact O-N 3.44Š| ||
| 369 | L | 34.1 | Very low | 29 | Very low | 163 Ų | 163 | 147.3 Ų | 147.3 | 85% | 0.853 | 82% | 0.821 | S | S | * | * | trans | -51.6 | 141.9 | 179.2 | -69.9 | 103 | 0 | 0 | 0 | 113.1 | ||||
| 370 | Y | 26.7 | Very low | 29 | Very low | 229 Ų | 229 | 146.5 Ų | 146.5 | 90% | 0.898 | 82% | 0.822 | S | S | * | * | trans | -135.2 | 140.5 | 153.7 | -121.3 | -86.4 | 0 | 0 | 0 | 113.6 | ||||
| 371 | I | 30.5 | Very low | 28.9 | Very low | 140 Ų | 140 | 143.5 Ų | 143.5 | 72% | 0.718 | 81% | 0.811 | S | S | * | * | trans | -89.7 | 136.1 | -178.5 | -62.8 | 165.8 | 0 | 0 | 0 | 108.7 | D373 | I371-D373 PolarHBondContact O-N 3.05Š| ||
| 372 | P | 31.1 | Very low | 28.7 | Very low | 128 Ų | 128 | 147.2 Ų | 147.2 | 83% | 0.831 | 82% | 0.818 | S | S | * | * | trans | -79.2 | 110 | 173.7 | -3.4 | 20.8 | 0 | 0 | 0 | 110.5 | ||||
| 373 | D | 24.2 | Very low | 28.6 | Very low | 157 Ų | 157 | 146.6 Ų | 146.6 | 84% | 0.84 | 82% | 0.82 | S | S | * | * | trans | -129 | 102.4 | 170.2 | -157.9 | 0.3 | 0 | 0 | 0 | 109 | I371 | I371-D373 PolarHBondContact O-N 3.05Š| ||
| 374 | M | 30.7 | Very low | 28.4 | Very low | 173 Ų | 173 | 147.5 Ų | 147.5 | 85% | 0.852 | 82% | 0.822 | S | S | * | * | trans | -114.7 | 95.7 | -164.1 | -173.7 | 169.4 | 64.2 | 0 | 0 | 112.3 | ||||
| 375 | A | 26.6 | Very low | 28.4 | Very low | 97 Ų | 97 | 143.7 Ų | 143.7 | 80% | 0.802 | 82% | 0.817 | S | S | * | * | trans | -106.2 | 99.1 | 180 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 376 | C | 30.4 | Very low | 28.7 | Very low | 121 Ų | 121 | 146.6 Ų | 146.6 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | trans | -86.9 | 134.5 | 170 | -61.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 377 | A | 26.5 | Very low | 28.4 | Very low | 90 Ų | 90 | 151.3 Ų | 151.3 | 74% | 0.744 | 83% | 0.827 | S | S | * | * | trans | -110.9 | 121 | -166.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 378 | K | 31.1 | Very low | 28.2 | Very low | 191 Ų | 191 | 153.9 Ų | 153.9 | 83% | 0.83 | 82% | 0.824 | S | S | * | * | trans | 57.5 | 121.9 | 144.3 | -63.2 | 173 | 178 | 169.5 | 0 | 120.5 | ||||
| 379 | T | 24.9 | Very low | 28.3 | Very low | 136 Ų | 136 | 150.9 Ų | 150.9 | 83% | 0.834 | 81% | 0.814 | S | S | * | * | -138 | 101.8 | 116.1 | 45.7 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 380 | T | 27 | Very low | 28.2 | Very low | 121 Ų | 121 | 147.2 Ų | 147.2 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | trans | 36.3 | 122.2 | 130.9 | -41.7 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 381 | T | 24.3 | Very low | 28.4 | Very low | 121 Ų | 121 | 144.3 Ų | 144.3 | 74% | 0.742 | 80% | 0.796 | S | S | * | * | 174.4 | 114 | 113.7 | -73 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 382 | R | 23.2 | Very low | 28.5 | Very low | 249 Ų | 249 | 144.4 Ų | 144.4 | 94% | 0.94 | 80% | 0.797 | S | S | * | * | trans | 58.8 | 113.6 | 143.6 | -168.2 | -171.1 | -168.1 | -165.2 | 4.6 | 121.1 | ||||
| 383 | G | 25.5 | Very low | 28.3 | Very low | 77 Ų | 77 | 148.7 Ų | 148.7 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | trans | 178.1 | 123.2 | 159.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 384 | E | 25.5 | Very low | 28.5 | Very low | 206 Ų | 206 | 147.6 Ų | 147.6 | 96% | 0.963 | 79% | 0.787 | S | S | * | * | trans | -82.4 | 154.3 | -168.2 | -63.9 | 168.6 | 115.5 | 0 | 0 | 114.7 | ||||
| 385 | C | 25.2 | Very low | 28.3 | Very low | 122 Ų | 122 | 146.7 Ų | 146.7 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | trans | -139 | 129.9 | 164.8 | -172.8 | 0 | 0 | 0 | 0 | 110.6 | R387 | C385-R387 PolarHBondContact O-N 2.84Š| ||
| 386 | P | 39.6 | Very low | 28.5 | Very low | 120 Ų | 120 | 149.3 Ų | 149.3 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | trans | -90.9 | 102.5 | -167.8 | 33.5 | -35 | 0 | 0 | 0 | 115.7 | ||||
| 387 | R | 27.6 | Very low | 29 | Very low | 218 Ų | 218 | 149.3 Ų | 149.3 | 82% | 0.823 | 78% | 0.783 | S | S | * | * | trans | 22.3 | 121.8 | 133.7 | -175 | -173.7 | -174.8 | 176.3 | 6.5 | 119.9 | C385 | C385-R387 PolarHBondContact O-N 2.84Š| ||
| 388 | K | 30.1 | Very low | 29.2 | Very low | 190 Ų | 190 | 152.3 Ų | 152.3 | 83% | 0.826 | 78% | 0.783 | S | S | * | * | trans | 177.5 | 149.6 | 143.8 | -100.4 | 153.6 | 177 | -173.7 | 0 | 110.5 | ||||
| 389 | D | 30.6 | Very low | 29.6 | Very low | 119 Ų | 119 | 148.7 Ų | 148.7 | 64% | 0.636 | 78% | 0.779 | S | S | * | * | cis | -156.5 | 129.2 | -30.1 | -103.3 | -11.6 | 0 | 0 | 0 | 110.1 | ||||
| 390 | S | 32.2 | Very low | 29.9 | Very low | 86 Ų | 86 | 151 Ų | 151 | 60% | 0.601 | 78% | 0.78 | S | S | * | * | trans | 26.9 | 118.7 | 140 | -78.6 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 391 | H | 29.7 | Very low | 30 | Very low | 169 Ų | 169 | 149.2 Ų | 149.2 | 78% | 0.782 | 78% | 0.778 | S | S | * | * | 83.3 | 103.3 | 128.2 | -48.9 | -35.9 | 0 | 0 | 0 | 124 | |||||
| 392 | L | 33.5 | Very low | 30.4 | Very low | 141 Ų | 141 | 151.8 Ų | 151.8 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | 58.9 | 108.2 | 108.5 | -157.5 | 159.2 | 0 | 0 | 0 | 121.8 | |||||
| 393 | W | 25.6 | Very low | 30.8 | Very low | 219 Ų | 219 | 150.3 Ų | 150.3 | 83% | 0.83 | 78% | 0.777 | S | S | * | * | trans | -151.9 | 138.1 | 143.9 | -91.9 | 83.2 | 0 | 0 | 0 | 106.5 | ||||
| 394 | Q | 29.1 | Very low | 31.1 | Very low | 134 Ų | 134 | 154.2 Ų | 154.2 | 63% | 0.626 | 78% | 0.775 | S | S | * | * | cis | 102.4 | 127.1 | 35 | -103.1 | -164.8 | 30.4 | 0 | 0 | 115 | ||||
| 395 | L | 25.9 | Very low | 31.4 | Very low | 153 Ų | 153 | 149.4 Ų | 149.4 | 80% | 0.801 | 76% | 0.76 | S | S | * | * | trans | 87.7 | 124.9 | 157.1 | -60.7 | 165.5 | 0 | 0 | 0 | 121.9 | ||||
| 396 | L | 30.5 | Very low | 31.6 | Very low | 153 Ų | 153 | 150 Ų | 150 | 80% | 0.801 | 76% | 0.759 | S | S | * | * | trans | -87 | 168.8 | 156.1 | -101.7 | 162.1 | 0 | 0 | 0 | 108.7 | ||||
| 397 | P | 42.3 | Very low | 30.9 | Very low | 120 Ų | 120 | 154.8 Ų | 154.8 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | -151.7 | -175.2 | 51.8 | 42.5 | -20.3 | 0 | 0 | 0 | 118.5 | |||||
| 398 | M | 30.3 | Very low | 31.6 | Very low | 154 Ų | 154 | 149.4 Ų | 149.4 | 76% | 0.759 | 76% | 0.755 | S | S | * | * | trans | -75 | 159.5 | 170.4 | -78 | -77.1 | -69.8 | 0 | 0 | 114 | ||||
| 399 | P | 39.6 | Very low | 31.5 | Very low | 114 Ų | 114 | 146.4 Ų | 146.4 | 74% | 0.74 | 75% | 0.753 | S | S | * | * | trans | -88 | 159.5 | 165.7 | 35.8 | -33.5 | 0 | 0 | 0 | 113.7 | ||||
| 400 | H | 29.7 | Very low | 31.4 | Very low | 185 Ų | 185 | 144.5 Ų | 144.5 | 86% | 0.856 | 75% | 0.754 | S | S | * | * | trans | -128.2 | 157.9 | -179.9 | -92.9 | -84.2 | 0 | 0 | 0 | 112.3 | ||||
| 401 | A | 30.9 | Very low | 31.2 | Very low | 84 Ų | 84 | 146.7 Ų | 146.7 | 69% | 0.694 | 76% | 0.764 | S | S | * | * | trans | -163.9 | 119.8 | 148.7 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 402 | E | 32.2 | Very low | 31.1 | Very low | 175 Ų | 175 | 143.8 Ų | 143.8 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | 77.8 | 137.2 | 70.1 | -74.3 | 176.3 | -153.4 | 0 | 0 | 112.8 | |||||
| 403 | Y | 31.6 | Very low | 31 | Very low | 217 Ų | 217 | 145 Ų | 145 | 85% | 0.851 | 76% | 0.762 | S | S | * | * | cis | -162 | 177.1 | 4.4 | 57.8 | -92 | 0 | 0 | 0 | 109.4 | ||||
| 404 | E | 31.9 | Very low | 31.1 | Very low | 159 Ų | 159 | 143.9 Ų | 143.9 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | -163.9 | 166.9 | -57.8 | -124.5 | -72.6 | 61.6 | 0 | 0 | 108.4 | |||||
| 405 | V | 31.2 | Very low | 31.1 | Very low | 106 Ų | 106 | 143.8 Ų | 143.8 | 64% | 0.642 | 76% | 0.762 | S | S | * | * | trans | 70.8 | 125.6 | 153.1 | 163.5 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 406 | T | 29.3 | Very low | 31.5 | Very low | 134 Ų | 134 | 145.7 Ų | 145.7 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | -154.5 | 160.3 | 65.6 | -42.4 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 407 | R | 24.5 | Very low | 32 | Very low | 221 Ų | 221 | 144.8 Ų | 144.8 | 83% | 0.834 | 77% | 0.77 | S | S | * | * | trans | -130.8 | -173.2 | -173.1 | -142.2 | -163.3 | -81.9 | 134.6 | -4.4 | 109.2 | ||||
| 408 | P | 43.5 | Very low | 31.7 | Very low | 104 Ų | 104 | 147.2 Ų | 147.2 | 68% | 0.675 | 78% | 0.776 | S | S | * | * | cis | -104.9 | -145.4 | -35.4 | 18.8 | 6.9 | 0 | 0 | 0 | 109.7 | ||||
| 409 | T | 27.4 | Very low | 31.6 | Very low | 127 Ų | 127 | 143.1 Ų | 143.1 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | cis | -159.6 | 164.6 | 15.7 | -32.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 410 | A | 27.8 | Very low | 31.1 | Very low | 79 Ų | 79 | 146.9 Ų | 146.9 | 65% | 0.653 | 78% | 0.778 | S | S | * | * | trans | -29.4 | 151 | 173 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 411 | T | 28.4 | Very low | 31.1 | Very low | 132 Ų | 132 | 145.1 Ų | 145.1 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | -168.4 | 151.8 | 70.7 | 30.4 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 412 | S | 28.4 | Very low | 31 | Very low | 108 Ų | 108 | 146.5 Ų | 146.5 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | trans | 66.9 | 133.1 | 152.5 | -173.5 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 413 | K | 31.5 | Very low | 30.7 | Very low | 167 Ų | 167 | 142.9 Ų | 142.9 | 73% | 0.726 | 76% | 0.762 | S | S | * | * | cis | -167.8 | 139.7 | -3.4 | -114.7 | -175.9 | 175.1 | -171.6 | 0 | 109.5 | ||||
| 414 | Y | 27.6 | Very low | 30.5 | Very low | 196 Ų | 196 | 140.6 Ų | 140.6 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | trans | 51.6 | 151.2 | 155.8 | -66.2 | -71.3 | 0 | 0 | 0 | 119.8 | ||||
| 415 | D | 28.7 | Very low | 30.3 | Very low | 131 Ų | 131 | 140 Ų | 140 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | cis | -139.2 | 131.4 | 7.2 | -102.6 | -49 | 0 | 0 | 0 | 111.1 | ||||
| 416 | H | 34.9 | Very low | 30.3 | Very low | 193 Ų | 193 | 141.1 Ų | 141.1 | 89% | 0.894 | 77% | 0.772 | S | S | * | * | trans | -165.2 | 147.3 | 163.4 | -91.2 | 6.8 | 0 | 0 | 0 | 109.1 | ||||
| 417 | P | 41.3 | Very low | 30.2 | Very low | 134 Ų | 134 | 143.8 Ų | 143.8 | 87% | 0.87 | 78% | 0.776 | S | S | * | * | trans | -139 | 157.1 | 134.7 | 37.3 | -25.2 | 0 | 0 | 0 | 115.3 | ||||
| 418 | L | 35.8 | Very low | 30.3 | Very low | 171 Ų | 171 | 140.6 Ų | 140.6 | 90% | 0.895 | 77% | 0.772 | S | S | * | * | trans | -103.3 | 152.5 | 179.5 | 173.5 | 71.1 | 0 | 0 | 0 | 110.5 | ||||
| 419 | G | 26.9 | Very low | 29.7 | Very low | 69 Ų | 69 | 143.7 Ų | 143.7 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | trans | -178.7 | 105.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 420 | F | 28.8 | Very low | 29.7 | Very low | 192 Ų | 192 | 144 Ų | 144 | 84% | 0.842 | 78% | 0.775 | S | S | * | * | trans | -75.2 | 165.6 | 151 | -79.7 | -131.4 | 0 | 0 | 0 | 107.8 | ||||
| 421 | M | 29.4 | Very low | 29.6 | Very low | 149 Ų | 149 | 145.3 Ų | 145.3 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | cis | -168.4 | 161.6 | 18.6 | -133.6 | 161.8 | 61.1 | 0 | 0 | 110.7 | ||||
| 422 | V | 30.3 | Very low | 29.6 | Very low | 113 Ų | 113 | 148 Ų | 148 | 69% | 0.685 | 78% | 0.78 | S | S | * | * | 32.6 | 126.9 | 127.9 | 163 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 423 | T | 26.1 | Very low | 29.6 | Very low | 99 Ų | 99 | 149.5 Ų | 149.5 | 61% | 0.607 | 78% | 0.784 | S | S | * | * | cis | -174.5 | 168.9 | 20.2 | 13.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 424 | H | 26.2 | Very low | 29.5 | Very low | 169 Ų | 169 | 150.3 Ų | 150.3 | 78% | 0.782 | 78% | 0.782 | S | S | * | * | trans | 68 | 136.5 | 151.7 | -54.4 | -44.8 | 0 | 0 | 0 | 123 | ||||
| 425 | V | 28.3 | Very low | 30.1 | Very low | 145 Ų | 145 | 146.1 Ų | 146.1 | 88% | 0.879 | 78% | 0.779 | S | S | * | * | 164.5 | 156.6 | 121.9 | 157.9 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 426 | T | 31.3 | Very low | 30.1 | Very low | 130 Ų | 130 | 146.9 Ų | 146.9 | 80% | 0.798 | 78% | 0.779 | S | S | * | * | trans | -136.2 | 144.1 | -170.8 | 52.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 427 | E | 27.9 | Very low | 29.8 | Very low | 191 Ų | 191 | 141 Ų | 141 | 89% | 0.893 | 77% | 0.77 | S | S | * | * | trans | -167.7 | 167.1 | 157.3 | -99.3 | -178 | 153.5 | 0 | 0 | 107.3 | ||||
| 428 | M | 26.7 | Very low | 29.2 | Very low | 153 Ų | 153 | 140.1 Ų | 140.1 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | cis | 156.3 | 115.8 | -30.6 | 175 | -176.2 | 165 | 0 | 0 | 107.3 | ||||
| 429 | Q | 29.8 | Very low | 28.8 | Very low | 170 Ų | 170 | 135.7 Ų | 135.7 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | trans | 165.2 | 123 | 144.6 | -92.8 | 170.4 | 24.6 | 0 | 0 | 108.5 | ||||
| 430 | D | 27.2 | Very low | 28.8 | Very low | 134 Ų | 134 | 141.9 Ų | 141.9 | 72% | 0.717 | 78% | 0.777 | S | S | * | * | 74.9 | 121 | 71 | -159.1 | 32.8 | 0 | 0 | 0 | 110.7 | |||||
| 431 | S | 26.7 | Very low | 28.8 | Very low | 106 Ų | 106 | 138.3 Ų | 138.3 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | cis | -163.5 | -173.4 | 44.1 | 51.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 432 | F | 27 | Very low | 28.7 | Very low | 188 Ų | 188 | 138.6 Ų | 138.6 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | trans | -72.4 | 159 | -170.3 | -67.5 | -109.8 | 0 | 0 | 0 | 116.8 | ||||
| 433 | V | 28.6 | Very low | 28.6 | Very low | 139 Ų | 139 | 138.8 Ų | 138.8 | 84% | 0.842 | 78% | 0.777 | S | S | * | * | 168.8 | 146.7 | 115.5 | 154.4 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 434 | R | 29.7 | Very low | 28.9 | Very low | 184 Ų | 184 | 141.3 Ų | 141.3 | 69% | 0.694 | 78% | 0.781 | S | S | * | * | trans | -119.2 | 134 | 173.3 | -175.2 | -155.7 | -179.4 | -120.9 | 0.2 | 109.6 | E436 | R434-E436 IonicContact CZ-OE1 2.77Å; R434-E436 IonicContact CZ-OE2 2.81Å; R434-E436 IonicContact NH1-OE1 2.95Å; R434-E436 PolarHBondContact NH1-OE1 2.87Å; R434-E436 IonicContact NH1-OE2 3.26Å; R434-E436 PolarHBondContact NH1-OE2 2.9Å; R434-E436 IonicContact NH2-OE1 3.95Å; R434-E436 PolarHBondContact NH2-OE1 3.15Å | ||
| 435 | P | 41.1 | Very low | 29 | Very low | 109 Ų | 109 | 142.2 Ų | 142.2 | 71% | 0.708 | 79% | 0.785 | S | S | * | * | -136.8 | 158.4 | 111.6 | 16.5 | 5.7 | 0 | 0 | 0 | 111.5 | |||||
| 436 | E | 28.8 | Very low | 29.1 | Very low | 147 Ų | 147 | 142.3 Ų | 142.3 | 69% | 0.687 | 78% | 0.781 | S | S | * | * | cis | 86.4 | 121.8 | 32.6 | -165.9 | 157.7 | -111.8 | 0 | 0 | 115.2 | R434 | R434-E436 IonicContact CZ-OE1 2.77Å; R434-E436 IonicContact CZ-OE2 2.81Å; R434-E436 IonicContact NH1-OE1 2.95Å; R434-E436 PolarHBondContact NH1-OE1 2.87Å; R434-E436 IonicContact NH1-OE2 3.26Å; R434-E436 PolarHBondContact NH1-OE2 2.9Å; R434-E436 IonicContact NH2-OE1 3.95Å; R434-E436 PolarHBondContact NH2-OE1 3.15Å | ||
| 437 | G | 27.5 | Very low | 28.8 | Very low | 70 Ų | 70 | 145.2 Ų | 145.2 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | trans | 116 | 115.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 438 | A | 28.2 | Very low | 28.9 | Very low | 115 Ų | 115 | 141.4 Ų | 141.4 | 95% | 0.95 | 78% | 0.78 | S | S | * | * | cis | 81 | 113.6 | 43.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 439 | G | 28.1 | Very low | 29.1 | Very low | 77 Ų | 77 | 141.8 Ų | 141.8 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | trans | 151.2 | 78.5 | 167.5 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 440 | K | 26.8 | Very low | 28.9 | Very low | 200 Ų | 200 | 144.4 Ų | 144.4 | 87% | 0.87 | 78% | 0.782 | S | S | * | * | 13.1 | 157.9 | 128.8 | -155.9 | 175.6 | -174.2 | 175.3 | 0 | 121.2 | |||||
| 441 | V | 29 | Very low | 29.2 | Very low | 117 Ų | 117 | 143 Ų | 143 | 71% | 0.709 | 78% | 0.783 | S | S | * | * | trans | 93 | 116.4 | 167.3 | -175 | 0 | 0 | 0 | 0 | 113 | ||||
| 442 | Q | 27.6 | Very low | 30.1 | Very low | 155 Ų | 155 | 144.1 Ų | 144.1 | 72% | 0.724 | 79% | 0.788 | S | S | * | * | cis | 104.7 | 118.1 | 27.3 | 179.4 | -165.4 | 18.9 | 0 | 0 | 113.1 | ||||
| 443 | S | 27.8 | Very low | 30 | Very low | 117 Ų | 117 | 138.5 Ų | 138.5 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -158.6 | 159.1 | 146.2 | 65.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 444 | H | 32.1 | Very low | 30.1 | Very low | 152 Ų | 152 | 138.8 Ų | 138.8 | 70% | 0.704 | 78% | 0.78 | S | S | * | * | trans | -119.5 | 159.7 | 178.1 | -61.9 | -99.2 | 0 | 0 | 0 | 110.5 | ||||
| 445 | H | 28.4 | Very low | 30.1 | Very low | 188 Ų | 188 | 137.2 Ų | 137.2 | 87% | 0.87 | 79% | 0.785 | S | S | * | * | trans | 163.6 | 111.1 | 140.1 | -86.8 | -65.7 | 0 | 0 | 0 | 106.4 | ||||
| 446 | N | 29.8 | Very low | 29.7 | Very low | 146 Ų | 146 | 138.1 Ų | 138.1 | 78% | 0.781 | 78% | 0.779 | S | S | * | * | cis | 80.4 | 96 | 34.9 | -163.2 | 19.4 | 0 | 0 | 0 | 114.3 | ||||
| 447 | E | 26.2 | Very low | 29.9 | Very low | 192 Ų | 192 | 134.5 Ų | 134.5 | 90% | 0.897 | 77% | 0.767 | S | S | * | * | trans | -151.4 | 177.5 | 157.1 | -134.1 | 169.8 | -159.3 | 0 | 0 | 111.4 | ||||
| 448 | S | 29.6 | Very low | 30.1 | Very low | 110 Ų | 110 | 137.3 Ų | 137.3 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | trans | -106 | 162.1 | -139.1 | -66.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 449 | Q | 30.6 | Very low | 30 | Very low | 162 Ų | 162 | 136.2 Ų | 136.2 | 76% | 0.757 | 74% | 0.74 | S | S | * | * | trans | -7.6 | 154 | 150.3 | -54.7 | -175.3 | -1.8 | 0 | 0 | 117.9 | ||||
| 450 | R | 26.4 | Very low | 30.4 | Very low | 224 Ų | 224 | 137.6 Ų | 137.6 | 85% | 0.845 | 72% | 0.724 | S | S | * | * | -172 | 155.4 | 51.1 | -161.8 | -179.2 | -109.2 | 178.2 | -8.2 | 114 | |||||
| 451 | S | 32.6 | Very low | 30.5 | Very low | 104 Ų | 104 | 137.1 Ų | 137.1 | 73% | 0.727 | 72% | 0.722 | S | S | * | * | trans | -76.3 | -168.6 | 168.2 | -34.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 452 | P | 46.8 | Very low | 30.7 | Very low | 131 Ų | 131 | 139.3 Ų | 139.3 | 85% | 0.851 | 73% | 0.729 | S | S | * | * | cis | -138.9 | -167.9 | -0.5 | 43.5 | -24.4 | 0 | 0 | 0 | 115.4 | ||||
| 453 | G | 25.1 | Very low | 30.6 | Very low | 69 Ų | 69 | 139.9 Ų | 139.9 | 71% | 0.711 | 73% | 0.732 | S | S | * | * | trans | 171.7 | 128.7 | 161.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 454 | N | 29.9 | Very low | 30.7 | Very low | 146 Ų | 146 | 140.2 Ų | 140.2 | 78% | 0.781 | 73% | 0.728 | S | S | * | * | trans | -122.9 | -172.8 | -178 | -73.8 | 6.4 | 0 | 0 | 0 | 111.7 | ||||
| 455 | D | 29.5 | Very low | 30.6 | Very low | 150 Ų | 150 | 139.8 Ų | 139.8 | 80% | 0.802 | 73% | 0.731 | S | S | * | * | trans | 81.8 | 160.5 | 157.8 | -48.9 | -23.8 | 0 | 0 | 0 | 118 | ||||
| 456 | H | 33.1 | Very low | 30.9 | Very low | 129 Ų | 129 | 135.9 Ų | 135.9 | 60% | 0.597 | 73% | 0.725 | S | S | * | * | -163.4 | 153.6 | -53.9 | -151.2 | 51 | 0 | 0 | 0 | 108.3 | E341 | E341-H456 IonicContact OE1-CD2 2.76Å; E341-H456 IonicContact OE1-NE2 3.64Å; E341-H456 IonicContact OE2-CD2 3.17Å; E341-H456 PolarHBondContact OE2-CD2 3.47Å | |||
| 457 | T | 32.1 | Very low | 30.7 | Very low | 71 Ų | 71 | 137.5 Ų | 137.5 | 44% | 0.436 | 73% | 0.728 | S | S | . | * | trans | 57.9 | 141.9 | 152.2 | 43.8 | 0 | 0 | 0 | 0 | 125.1 | Q340 | Q340-T457 PolarHBondContact NE2-OG1 3.3Š| ||
| 458 | Q | 31.8 | Very low | 31.1 | Very low | 128 Ų | 128 | 132.4 Ų | 132.4 | 60% | 0.598 | 72% | 0.719 | S | S | * | * | trans | 61.8 | 155.2 | 139.7 | -72 | -156.3 | 15.8 | 0 | 0 | 120.7 | Q340 | Q340-Q458 VanDerWaalsContact OE1-CG 3.3Š| ||
| 459 | D | 27.8 | Very low | 31.8 | Very low | 92 Ų | 92 | 132.4 Ų | 132.4 | 49% | 0.492 | 72% | 0.716 | S | S | . | * | cis | -176.8 | 166.5 | -20.6 | 179.2 | 23.3 | 0 | 0 | 0 | 107 | ||||
| 460 | K | 36.3 | Very low | 31.7 | Very low | 107 Ų | 107 | 134.7 Ų | 134.7 | 47% | 0.465 | 72% | 0.718 | S | S | . | * | trans | 62 | 116.6 | 166.7 | -75.6 | 152.6 | -178.2 | 119.7 | 0 | 118 | ||||
| 461 | F | 29.2 | Very low | 31.7 | Very low | 189 Ų | 189 | 131.5 Ų | 131.5 | 83% | 0.829 | 71% | 0.713 | S | S | * | * | 92.9 | 161.2 | 58.6 | -89.1 | -65.8 | 0 | 0 | 0 | 113.5 | |||||
| 462 | L | 31.3 | Very low | 31.8 | Very low | 164 Ų | 164 | 135.3 Ų | 135.3 | 86% | 0.859 | 72% | 0.719 | S | S | * | * | trans | 80.9 | 111.5 | -171.1 | -49.5 | -179.9 | 0 | 0 | 0 | 113.1 | ||||
| 463 | H | 27.1 | Very low | 31 | Very low | 167 Ų | 167 | 138.3 Ų | 138.3 | 77% | 0.773 | 72% | 0.721 | S | S | * | * | cis | 91 | 145.1 | 35.8 | -165.7 | -59.6 | 0 | 0 | 0 | 113.1 | ||||
| 464 | V | 28.7 | Very low | 31.2 | Very low | 124 Ų | 124 | 140.7 Ų | 140.7 | 75% | 0.752 | 73% | 0.727 | S | S | * | * | trans | 113.2 | 114.4 | 168 | -179.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 465 | D | 30.8 | Very low | 31.2 | Very low | 143 Ų | 143 | 139.4 Ų | 139.4 | 77% | 0.765 | 73% | 0.73 | S | S | * | * | trans | -75.1 | 157.2 | 170.9 | -51.8 | -95.4 | 0 | 0 | 0 | 113.2 | ||||
| 466 | S | 33.5 | Very low | 31.1 | Very low | 106 Ų | 106 | 135.3 Ų | 135.3 | 74% | 0.741 | 72% | 0.723 | S | S | * | * | trans | 169.8 | 149.1 | 138.2 | -98.6 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 467 | E | 26.9 | Very low | 30.7 | Very low | 179 Ų | 179 | 138.5 Ų | 138.5 | 84% | 0.836 | 74% | 0.736 | S | S | * | * | cis | 172.2 | 148.4 | -8.4 | -178.5 | 167.3 | 168.9 | 0 | 0 | 102.5 | ||||
| 468 | A | 34.8 | Very low | 30.4 | Very low | 86 Ų | 86 | 140.6 Ų | 140.6 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | trans | -75.3 | 174.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 469 | P | 44.1 | Very low | 31.5 | Very low | 109 Ų | 109 | 140.2 Ų | 140.2 | 71% | 0.708 | 76% | 0.76 | S | S | * | * | -163.8 | 170.8 | 70.4 | 47.4 | -26.7 | 0 | 0 | 0 | 119.1 | |||||
| 470 | R | 27.9 | Very low | 31.4 | Very low | 210 Ų | 210 | 142.8 Ų | 142.8 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | trans | 63.5 | 170.3 | 154.2 | -46.4 | -128.1 | -66.3 | -98.6 | 0.5 | 116.1 | ||||
| 471 | E | 27.1 | Very low | 31 | Very low | 158 Ų | 158 | 144.1 Ų | 144.1 | 74% | 0.738 | 79% | 0.786 | S | S | * | * | cis | -142.9 | 178.8 | 4.7 | -149 | 150.7 | -127.8 | 0 | 0 | 110.9 | ||||
| 472 | E | 34.8 | Very low | 31.1 | Very low | 183 Ų | 183 | 139.9 Ų | 139.9 | 86% | 0.855 | 77% | 0.772 | S | S | * | * | trans | -117.2 | 137.8 | -165 | 173.5 | -175.5 | -169.7 | 0 | 0 | 112.6 | ||||
| 473 | E | 30.3 | Very low | 31.2 | Very low | 194 Ų | 194 | 139.2 Ų | 139.2 | 91% | 0.907 | 77% | 0.765 | S | S | * | * | trans | -164.5 | 167.7 | 164.1 | -128.9 | 179.3 | -143.1 | 0 | 0 | 115.7 | ||||
| 474 | S | 29.3 | Very low | 31 | Very low | 119 Ų | 119 | 136.3 Ų | 136.3 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | trans | 82 | 103.6 | 163.5 | -158.8 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 475 | S | 28.5 | Very low | 31.2 | Very low | 119 Ų | 119 | 136.9 Ų | 136.9 | 83% | 0.832 | 76% | 0.761 | S | S | * | * | trans | -85.4 | 159.6 | 176.5 | 58.3 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 476 | G | 28 | Very low | 31.3 | Very low | 65 Ų | 65 | 137 Ų | 137 | 67% | 0.67 | 76% | 0.761 | S | S | * | * | 129.2 | 124 | 125.6 | 0 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 477 | F | 25.1 | Very low | 31 | Very low | 196 Ų | 196 | 137.9 Ų | 137.9 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | trans | 66.8 | 99.2 | 146.2 | -70 | -79.9 | 0 | 0 | 0 | 123.7 | ||||
| 478 | C | 25.6 | Very low | 31.8 | Very low | 115 Ų | 115 | 134.5 Ų | 134.5 | 78% | 0.777 | 76% | 0.755 | S | S | * | * | 74.8 | 161.1 | 113.4 | -72.2 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 479 | P | 53.6 | Low | 31.4 | Very low | 119 Ų | 119 | 138.8 Ų | 138.8 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | trans | -130.6 | -172 | -144.3 | 43.8 | -28.8 | 0 | 0 | 0 | 117.5 | ||||
| 480 | H | 26.8 | Very low | 30.6 | Very low | 147 Ų | 147 | 139.2 Ų | 139.2 | 68% | 0.681 | 77% | 0.766 | S | S | * | * | trans | 120.1 | 124.6 | 135.3 | -162.6 | 52.4 | 0 | 0 | 0 | 118.9 | N482 | H480-N482 PolarHBondContact CE1-ND2 3.41Å; H480-N482 PolarHBondContact NE2-ND2 2.87Å; H480-N482 VanDerWaalsContact NE2-ND2 3.16Å | ||
| 481 | T | 27.6 | Very low | 30.4 | Very low | 134 Ų | 134 | 134.3 Ų | 134.3 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | trans | -154 | 155.7 | 158.1 | -30.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 482 | N | 32 | Very low | 30.4 | Very low | 100 Ų | 100 | 132.2 Ų | 132.2 | 54% | 0.535 | 77% | 0.767 | S | S | . | * | trans | -116.3 | 177.3 | -178.5 | -57.9 | -79.4 | 0 | 0 | 0 | 111.3 | H480 | H480-N482 PolarHBondContact CE1-ND2 3.41Å; H480-N482 PolarHBondContact NE2-ND2 2.87Å; H480-N482 VanDerWaalsContact NE2-ND2 3.16Å | ||
| 483 | H | 31.9 | Very low | 30.2 | Very low | 151 Ų | 151 | 132.2 Ų | 132.2 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | -171.7 | 169.9 | 69 | -81.1 | -81.7 | 0 | 0 | 0 | 110 | |||||
| 484 | S | 24.2 | Very low | 29.8 | Very low | 105 Ų | 105 | 128.2 Ų | 128.2 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | cis | -155.5 | 135.4 | 41.6 | -77.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 485 | L | 32.9 | Very low | 29.5 | Very low | 136 Ų | 136 | 129.8 Ų | 129.8 | 71% | 0.712 | 76% | 0.756 | S | S | * | * | 66.4 | 126.4 | 77.9 | -67.5 | 167.4 | 0 | 0 | 0 | 112.9 | |||||
| 486 | L | 31.4 | Very low | 30.7 | Very low | 145 Ų | 145 | 128.9 Ų | 128.9 | 76% | 0.759 | 75% | 0.748 | S | S | * | * | cis | -145.7 | 162.9 | 16 | -85.3 | 161.9 | 0 | 0 | 0 | 109.5 | ||||
| 487 | V | 28.6 | Very low | 30.5 | Very low | 125 Ų | 125 | 134.7 Ų | 134.7 | 76% | 0.758 | 76% | 0.755 | S | S | * | * | 74.3 | 136.3 | 52.1 | 171.7 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 488 | P | 43.2 | Very low | 30.4 | Very low | 109 Ų | 109 | 133.1 Ų | 133.1 | 71% | 0.708 | 75% | 0.75 | S | S | * | * | cis | -116.5 | -171.2 | 19.9 | 43.3 | -28.5 | 0 | 0 | 0 | 114.6 | ||||
| 489 | E | 27.2 | Very low | 30.4 | Very low | 175 Ų | 175 | 131 Ų | 131 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | cis | -158.4 | 149.3 | 21.7 | -160.9 | 161.4 | -139.6 | 0 | 0 | 115.6 | ||||
| 490 | S | 26.7 | Very low | 29.1 | Very low | 119 Ų | 119 | 133.5 Ų | 133.5 | 83% | 0.832 | 74% | 0.738 | S | S | * | * | trans | 73.7 | 155.1 | 161.7 | 77.3 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 491 | S | 24.2 | Very low | 29 | Very low | 107 Ų | 107 | 134.3 Ų | 134.3 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | trans | -126.1 | 176.3 | 179.5 | 59.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 492 | S | 26.9 | Very low | 29.3 | Very low | 114 Ų | 114 | 133.6 Ų | 133.6 | 80% | 0.797 | 74% | 0.741 | S | S | * | * | -173.6 | -176.7 | 53.6 | -46.4 | 0 | 0 | 0 | 0 | 111 | |||||
| 493 | Q | 29.4 | Very low | 29.5 | Very low | 183 Ų | 183 | 134.2 Ų | 134.2 | 86% | 0.855 | 75% | 0.75 | S | S | * | * | trans | -119.5 | 153.1 | -178.2 | -158 | 176.7 | 31.5 | 0 | 0 | 112.7 | ||||
| 494 | C | 21.9 | Very low | 29 | Very low | 109 Ų | 109 | 137.7 Ų | 137.7 | 74% | 0.736 | 76% | 0.759 | S | S | * | * | trans | 91 | 138.6 | 149.3 | -118.1 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 495 | I | 24.8 | Very low | 29.2 | Very low | 152 Ų | 152 | 136.5 Ų | 136.5 | 78% | 0.779 | 76% | 0.756 | S | S | * | * | trans | 75.4 | 170 | 155.9 | 3.8 | -177.1 | 0 | 0 | 0 | 120.3 | ||||
| 496 | P | 52.6 | Low | 28.8 | Very low | 101 Ų | 101 | 136.9 Ų | 136.9 | 66% | 0.656 | 76% | 0.764 | S | S | * | * | -135.7 | -173.7 | -109.1 | 47.1 | -29.2 | 0 | 0 | 0 | 119.2 | |||||
| 497 | K | 24.7 | Very low | 28.4 | Very low | 186 Ų | 186 | 137.1 Ų | 137.1 | 81% | 0.809 | 77% | 0.766 | S | S | * | * | trans | 78.5 | 159.1 | 173.5 | -56.2 | 177.4 | -177.2 | -176.5 | 0 | 114.4 | ||||
| 498 | H | 22.9 | Very low | 28.4 | Very low | 163 Ų | 163 | 139.6 Ų | 139.6 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | cis | -144.6 | 171.8 | 14.1 | -142.4 | -83.2 | 0 | 0 | 0 | 113.2 | ||||
| 499 | S | 25 | Very low | 27.5 | Very low | 71 Ų | 71 | 138 Ų | 138 | 50% | 0.497 | 77% | 0.769 | S | S | . | * | trans | -35.8 | 153.5 | 178.9 | 57 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 500 | E | 25.5 | Very low | 27.4 | Very low | 172 Ų | 172 | 138.1 Ų | 138.1 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | 73.9 | 152 | 139.7 | -76.7 | 158.4 | -158.9 | 0 | 0 | 118.5 | ||||
| 501 | I | 26.4 | Very low | 27.3 | Very low | 164 Ų | 164 | 139 Ų | 139 | 84% | 0.841 | 77% | 0.771 | S | S | * | * | cis | -140 | 144.4 | 48.7 | -72.4 | 160.4 | 0 | 0 | 0 | 114.1 | ||||
| 502 | T | 33.8 | Very low | 27.5 | Very low | 119 Ų | 119 | 139.6 Ų | 139.6 | 73% | 0.73 | 78% | 0.775 | S | S | * | * | trans | -96.4 | 152.8 | 170.4 | -9.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 503 | P | 34.5 | Very low | 27.5 | Very low | 112 Ų | 112 | 143.3 Ų | 143.3 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | -142.9 | 157.1 | 129.4 | 36.5 | -23.2 | 0 | 0 | 0 | 112.7 | |||||
| 504 | Y | 21.8 | Very low | 27.5 | Very low | 224 Ų | 224 | 143.6 Ų | 143.6 | 88% | 0.878 | 78% | 0.778 | S | S | * | * | cis | -152.3 | 164.2 | -16.6 | -154 | -100 | 0 | 0 | 0 | 107.3 | ||||
| 505 | A | 28.4 | Very low | 27.7 | Very low | 81 Ų | 81 | 145.9 Ų | 145.9 | 67% | 0.669 | 78% | 0.782 | S | S | * | * | trans | -95.1 | 153.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 506 | T | 24.1 | Very low | 28.2 | Very low | 143 Ų | 143 | 146.4 Ų | 146.4 | 88% | 0.877 | 79% | 0.785 | S | S | * | * | trans | -148 | 129.5 | 154.4 | -31.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 507 | D | 24.6 | Very low | 27.4 | Very low | 151 Ų | 151 | 146.4 Ų | 146.4 | 81% | 0.807 | 79% | 0.785 | S | S | * | * | trans | -65.5 | 152.9 | 160.5 | -74 | -71.6 | 0 | 0 | 0 | 111.1 | ||||
| 508 | L | 27 | Very low | 27.4 | Very low | 177 Ų | 177 | 145.6 Ų | 145.6 | 93% | 0.927 | 78% | 0.784 | S | S | * | * | -152.1 | 150 | 128.2 | -138.7 | 74.6 | 0 | 0 | 0 | 111.7 | |||||
| 509 | A | 24 | Very low | 27.5 | Very low | 74 Ų | 74 | 144.4 Ų | 144.4 | 61% | 0.612 | 78% | 0.782 | S | S | * | * | trans | -94.7 | 174.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 510 | Q | 25.7 | Very low | 27.5 | Very low | 178 Ų | 178 | 148.7 Ų | 148.7 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | trans | 44 | 114 | 148.2 | -67.4 | 169.9 | -15.3 | 0 | 0 | 116.8 | ||||
| 511 | T | 25.9 | Very low | 27.6 | Very low | 138 Ų | 138 | 149.7 Ų | 149.7 | 85% | 0.847 | 80% | 0.795 | S | S | * | * | -171.9 | 145.3 | 69.5 | 31.1 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 512 | S | 28.1 | Very low | 27.7 | Very low | 120 Ų | 120 | 149.2 Ų | 149.2 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | -178.1 | 98.7 | 123.5 | -172.2 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 513 | E | 26.8 | Very low | 28 | Very low | 192 Ų | 192 | 149.8 Ų | 149.8 | 90% | 0.897 | 80% | 0.8 | S | S | * | * | trans | -87.7 | 133.6 | 173.1 | -61.8 | -179.3 | 128.3 | 0 | 0 | 110.5 | ||||
| 514 | K | 29.3 | Very low | 27.6 | Very low | 189 Ų | 189 | 147.4 Ų | 147.4 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | trans | -151.8 | 80.4 | 152 | -146.4 | 166.5 | -174 | 176.1 | 0 | 116.1 | ||||
| 515 | L | 24.8 | Very low | 27.9 | Very low | 156 Ų | 156 | 144.3 Ų | 144.3 | 82% | 0.817 | 79% | 0.794 | S | S | * | * | trans | 52.5 | 120 | 136.1 | -59.9 | 171.1 | 0 | 0 | 0 | 120.6 | ||||
| 516 | I | 36.3 | Very low | 28.5 | Very low | 163 Ų | 163 | 145.8 Ų | 145.8 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | trans | -78.9 | 145.1 | 161.6 | -32.3 | 174.9 | 0 | 0 | 0 | 111 | ||||
| 517 | P | 36.5 | Very low | 28.8 | Very low | 102 Ų | 102 | 142.7 Ų | 142.7 | 66% | 0.662 | 79% | 0.786 | S | S | * | * | trans | -141.4 | 163.1 | 130.3 | 36.2 | -21.4 | 0 | 0 | 0 | 112.8 | ||||
| 518 | H | 23.8 | Very low | 28.9 | Very low | 169 Ų | 169 | 143.9 Ų | 143.9 | 78% | 0.782 | 79% | 0.787 | S | S | * | * | cis | -163 | 166 | -6.4 | -117.6 | 12 | 0 | 0 | 0 | 112.4 | ||||
| 519 | L | 25.4 | Very low | 28.9 | Very low | 137 Ų | 137 | 141.3 Ų | 141.3 | 72% | 0.717 | 78% | 0.778 | S | S | * | * | trans | 43.7 | 108.2 | 154 | -91.3 | 74.6 | 0 | 0 | 0 | 123.6 | ||||
| 520 | H | 24.2 | Very low | 29.1 | Very low | 162 Ų | 162 | 147.2 Ų | 147.2 | 75% | 0.75 | 79% | 0.79 | S | S | * | * | 62.2 | 103.4 | 97.3 | -164.5 | -42 | 0 | 0 | 0 | 121.4 | |||||
| 521 | K | 27.9 | Very low | 29.1 | Very low | 192 Ų | 192 | 144.2 Ų | 144.2 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | -175.9 | 132.2 | 120.9 | -104.4 | -176.5 | -175.9 | -179.3 | 0 | 115.7 | |||||
| 522 | L | 29.1 | Very low | 29.2 | Very low | 155 Ų | 155 | 148.5 Ų | 148.5 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | trans | -86.3 | 176.7 | 153.4 | -91.9 | 143.8 | 0 | 0 | 0 | 109.2 | ||||
| 523 | P | 40.6 | Very low | 29 | Very low | 130 Ų | 130 | 148.2 Ų | 148.2 | 84% | 0.844 | 79% | 0.787 | S | S | * | * | cis | -130.3 | 178.6 | 17 | 37.5 | -17.7 | 0 | 0 | 0 | 115.5 | ||||
| 524 | G | 24.2 | Very low | 28.8 | Very low | 63 Ų | 63 | 142 Ų | 142 | 65% | 0.649 | 78% | 0.775 | S | S | * | * | cis | 169.9 | -178.6 | -6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 525 | D | 29.1 | Very low | 28.7 | Very low | 158 Ų | 158 | 139.7 Ų | 139.7 | 85% | 0.845 | 78% | 0.777 | S | S | * | * | trans | -82.4 | 178.5 | 174.4 | -122.5 | -15.5 | 0 | 0 | 0 | 111.5 | ||||
| 526 | P | 41.9 | Very low | 28.7 | Very low | 112 Ų | 112 | 140.1 Ų | 140.1 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | cis | -135.1 | -162.5 | 21.2 | 41.2 | -18.1 | 0 | 0 | 0 | 113.6 | ||||
| 527 | A | 29 | Very low | 28.2 | Very low | 78 Ų | 78 | 135.5 Ų | 135.5 | 65% | 0.645 | 77% | 0.771 | S | S | * | * | cis | -163.8 | 142.9 | 13.4 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 528 | Q | 26.5 | Very low | 27.8 | Very low | 177 Ų | 177 | 137.6 Ų | 137.6 | 83% | 0.827 | 77% | 0.773 | S | S | * | * | 64.6 | 158.9 | 121.1 | -66.4 | -80.1 | 8.1 | 0 | 0 | 125.5 | |||||
| 529 | V | 28 | Very low | 27.9 | Very low | 123 Ų | 123 | 137.8 Ų | 137.8 | 75% | 0.745 | 78% | 0.778 | S | S | * | * | trans | 84.2 | 66.2 | 157.3 | -150.7 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 530 | K | 28.5 | Very low | 27.8 | Very low | 197 Ų | 197 | 137.7 Ų | 137.7 | 86% | 0.857 | 78% | 0.777 | S | S | * | * | 32 | 110.3 | 101.1 | -167.2 | -179 | -170.5 | 172.5 | 0 | 122.4 | |||||
| 531 | S | 25.2 | Very low | 28.5 | Very low | 115 Ų | 115 | 135.3 Ų | 135.3 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | -167.4 | 141.4 | 141.2 | 53.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 532 | R | 27.2 | Very low | 28.4 | Very low | 228 Ų | 228 | 128.8 Ų | 128.8 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | cis | 83.2 | 113.8 | 15.6 | -162.4 | 177.8 | -172.1 | -166.8 | 4.5 | 118.1 | ||||
| 533 | S | 23.8 | Very low | 28.4 | Very low | 114 Ų | 114 | 127.2 Ų | 127.2 | 80% | 0.797 | 76% | 0.761 | S | S | * | * | trans | 66.8 | 149.6 | 167.8 | -64.8 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 534 | G | 23.7 | Very low | 27.7 | Very low | 63 Ų | 63 | 129.5 Ų | 129.5 | 65% | 0.649 | 76% | 0.76 | S | S | * | * | cis | 149.7 | 129.8 | -13.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 535 | T | 26.1 | Very low | 28.1 | Very low | 139 Ų | 139 | 130.5 Ų | 130.5 | 85% | 0.853 | 76% | 0.762 | S | S | * | * | trans | 64.5 | 137.6 | 148.5 | -30.5 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 536 | L | 26.5 | Very low | 28 | Very low | 166 Ų | 166 | 131.9 Ų | 131.9 | 87% | 0.869 | 76% | 0.763 | S | S | * | * | trans | 109.5 | 132.8 | 138.3 | -148.5 | 144.5 | 0 | 0 | 0 | 118.3 | ||||
| 537 | G | 25 | Very low | 27.3 | Very low | 65 Ų | 65 | 133.3 Ų | 133.3 | 67% | 0.67 | 76% | 0.762 | S | S | * | * | trans | 116.5 | 56.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 538 | Q | 27.2 | Very low | 27.2 | Very low | 147 Ų | 147 | 136.2 Ų | 136.2 | 69% | 0.687 | 76% | 0.762 | S | S | * | * | 59.3 | 102.6 | 73.3 | -76.9 | -74.4 | 22.3 | 0 | 0 | 115.8 | |||||
| 539 | I | 25.8 | Very low | 27.1 | Very low | 173 Ų | 173 | 135.3 Ų | 135.3 | 89% | 0.887 | 76% | 0.763 | S | S | * | * | trans | -131.9 | 136 | 138.6 | -64.1 | -174.4 | 0 | 0 | 0 | 107.6 | ||||
| 540 | L | 24.9 | Very low | 27.1 | Very low | 134 Ų | 134 | 136.4 Ų | 136.4 | 70% | 0.702 | 76% | 0.764 | S | S | * | * | trans | -133.5 | 166.4 | -176.4 | -173.8 | 68.4 | 0 | 0 | 0 | 105.3 | ||||
| 541 | P | 37.9 | Very low | 27.2 | Very low | 112 Ų | 112 | 133.1 Ų | 133.1 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | cis | -118 | -176.7 | 4.2 | 8.2 | 19.5 | 0 | 0 | 0 | 114.2 | ||||
| 542 | G | 26.3 | Very low | 27.4 | Very low | 56 Ų | 56 | 134.9 Ų | 134.9 | 58% | 0.577 | 76% | 0.762 | S | S | * | * | cis | 103.2 | 84.5 | -5.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 543 | T | 29.2 | Very low | 27.3 | Very low | 122 Ų | 122 | 130.5 Ų | 130.5 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | trans | -172.6 | 134.1 | 166.8 | 3.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 544 | E | 26.3 | Very low | 27.4 | Very low | 178 Ų | 178 | 131.1 Ų | 131.1 | 83% | 0.832 | 76% | 0.755 | S | S | * | * | cis | -158 | 175.3 | -22.6 | -131.4 | 151.9 | -139.7 | 0 | 0 | 111.6 | ||||
| 545 | A | 31.6 | Very low | 27.8 | Very low | 83 Ų | 83 | 132.1 Ų | 132.1 | 69% | 0.686 | 77% | 0.765 | S | S | * | * | trans | -50.7 | 177.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 546 | E | 26.8 | Very low | 27.9 | Very low | 187 Ų | 187 | 131 Ų | 131 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | cis | -141.3 | 151.8 | 27.3 | -82.8 | -177 | 152.4 | 0 | 0 | 111 | ||||
| 547 | M | 28.7 | Very low | 28.1 | Very low | 143 Ų | 143 | 129 Ų | 129 | 70% | 0.704 | 76% | 0.763 | S | S | * | * | cis | 69.3 | 112 | 8 | -164.9 | 164.8 | -177.9 | 0 | 0 | 115.7 | ||||
| 548 | E | 25.4 | Very low | 28.5 | Very low | 139 Ų | 139 | 137.1 Ų | 137.1 | 65% | 0.65 | 77% | 0.773 | S | S | * | * | cis | -163.1 | 174.2 | 26 | -153.7 | 173 | -177.5 | 0 | 0 | 111.7 | ||||
| 549 | N | 24.8 | Very low | 28.6 | Very low | 158 Ų | 158 | 135.7 Ų | 135.7 | 85% | 0.845 | 78% | 0.779 | S | S | * | * | 177.9 | 137.5 | 125.6 | -100.9 | -76.9 | 0 | 0 | 0 | 112.6 | |||||
| 550 | L | 27.5 | Very low | 28.9 | Very low | 146 Ų | 146 | 133.6 Ų | 133.6 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | trans | -111.5 | 159.8 | 167.7 | -75.8 | 170.4 | 0 | 0 | 0 | 109.9 | ||||
| 551 | P | 30.9 | Very low | 29.1 | Very low | 128 Ų | 128 | 135.8 Ų | 135.8 | 83% | 0.831 | 78% | 0.783 | S | S | * | * | -135.1 | 153.6 | 109.4 | 37.6 | -29.5 | 0 | 0 | 0 | 114.6 | |||||
| 552 | L | 30.4 | Very low | 28.7 | Very low | 151 Ų | 151 | 136.4 Ų | 136.4 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | trans | -79.2 | 135.1 | 175.8 | 178.1 | 73.6 | 0 | 0 | 0 | 111.5 | ||||
| 553 | N | 23.8 | Very low | 29 | Very low | 137 Ų | 137 | 142.9 Ų | 142.9 | 73% | 0.733 | 80% | 0.8 | S | S | * | * | -178 | 158.6 | 128.5 | -104 | -59 | 0 | 0 | 0 | 117 | |||||
| 554 | T | 26.9 | Very low | 29 | Very low | 127 Ų | 127 | 145.3 Ų | 145.3 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | trans | 52.1 | 86.1 | 155.3 | 48 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 555 | G | 31.4 | Very low | 29.1 | Very low | 84 Ų | 84 | 141.8 Ų | 141.8 | 87% | 0.866 | 80% | 0.8 | S | S | * | * | 41.1 | 113.5 | 118.4 | 0 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 556 | S | 27.9 | Very low | 29.4 | Very low | 114 Ų | 114 | 143.9 Ų | 143.9 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | trans | -147.8 | 120 | 145.4 | -175.2 | 0 | 0 | 0 | 0 | 109.8 | R558 | S556-R558 PolarHBondContact O-N 3.25Š| ||
| 557 | S | 31.3 | Very low | 30 | Very low | 124 Ų | 124 | 139.8 Ų | 139.8 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | trans | -86.4 | 101.5 | 178.9 | -64.2 | 0 | 0 | 0 | 0 | 109.8 | S559 | S557-S559 PolarHBondContact O-N 2.97Š| ||
| 558 | R | 32.8 | Very low | 30.5 | Very low | 237 Ų | 237 | 140.5 Ų | 140.5 | 89% | 0.894 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 117.1 | 170.1 | -82 | -177.6 | 162.9 | -173 | -6.1 | 110 | S556 | S556-R558 PolarHBondContact O-N 3.25Š|
| 559 | S | 28.7 | Very low | 31.3 | Very low | 116 Ų | 116 | 140.6 Ų | 140.6 | 81% | 0.811 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 127 | 166.3 | 34.9 | 0 | 0 | 0 | 0 | 110.2 | S557 | S557-S559 PolarHBondContact O-N 2.97Š|
| 560 | V | 33.2 | Very low | 31.9 | Very low | 129 Ų | 129 | 137.6 Ų | 137.6 | 78% | 0.782 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -96.3 | 122 | 168 | 177.8 | 0 | 0 | 0 | 0 | 107.4 | ||
| 561 | M | 29.3 | Very low | 32.2 | Very low | 180 Ų | 180 | 135.1 Ų | 135.1 | 89% | 0.887 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 117 | 166.1 | -73.6 | -171.7 | -68.7 | 0 | 0 | 108.8 | ||
| 562 | T | 30.2 | Very low | 32.4 | Very low | 126 Ų | 126 | 133.7 Ų | 133.7 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 118.6 | 162.8 | 25.8 | 0 | 0 | 0 | 0 | 109.2 | ||
| 563 | Q | 31.5 | Very low | 32.8 | Very low | 191 Ų | 191 | 135.2 Ų | 135.2 | 89% | 0.893 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 123 | 173.6 | -172.4 | 176.1 | 7.8 | 0 | 0 | 109.1 | ||
| 564 | M | 28.7 | Very low | 33.3 | Very low | 174 Ų | 174 | 139.6 Ų | 139.6 | 86% | 0.857 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 123.7 | 175 | -69.6 | -70.3 | -69.7 | 0 | 0 | 109.6 | ||
| 565 | S | 29.4 | Very low | 33.7 | Very low | 103 Ų | 103 | 137.9 Ų | 137.9 | 72% | 0.72 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 132.8 | 177.9 | 50.5 | 0 | 0 | 0 | 0 | 111.9 | S567 | S565-S567 PolarHBondContact O-N 2.92Š|
| 566 | S | 37.2 | Very low | 34.2 | Very low | 127 Ų | 127 | 140.7 Ų | 140.7 | 89% | 0.888 | 82% | 0.817 | S | S | * | * | trans | -84.1 | 88 | -177.3 | 53.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 567 | S | 39.4 | Very low | 34.5 | Very low | 102 Ų | 102 | 139.6 Ų | 139.6 | 71% | 0.713 | 82% | 0.815 | S | S | * | * | trans | -144.3 | 56.1 | -179.2 | 54.4 | 0 | 0 | 0 | 0 | 114.4 | S565 | S565-S567 PolarHBondContact O-N 2.92Š| ||
| 568 | L | 39.1 | Very low | 34.4 | Very low | 158 Ų | 158 | 142.4 Ų | 142.4 | 83% | 0.827 | 82% | 0.819 | S | S | * | * | trans | -131.4 | 36 | 177.4 | -131.9 | 169.4 | 0 | 0 | 0 | 114.3 | ||||
| 569 | V | 42.7 | Very low | 34.4 | Very low | 141 Ų | 141 | 133.6 Ų | 133.6 | 86% | 0.855 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -129.7 | 68.2 | 172.6 | -170.6 | 0 | 0 | 0 | 0 | 110.3 | ||
| 570 | S | 37 | Very low | 34.5 | Very low | 94 Ų | 94 | 135.3 Ų | 135.3 | 66% | 0.657 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -161 | 4.8 | 171.1 | -86.4 | 0 | 0 | 0 | 0 | 115.4 | ||
| 571 | A | 34.4 | Very low | 34.3 | Very low | 95 Ų | 95 | 132.5 Ų | 132.5 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -89.4 | -12 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 572 | A | 35.9 | Very low | 35.2 | Very low | 98 Ų | 98 | 130 Ų | 130 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -99.7 | -1.9 | -168.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 573 | Q | 38.4 | Very low | 35.1 | Very low | 183 Ų | 183 | 135.9 Ų | 135.9 | 86% | 0.855 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -116.7 | 11.6 | -171.5 | -77.2 | -178.7 | -30.7 | 0 | 0 | 115.3 | ||
| 574 | R | 33 | Very low | 34.9 | Very low | 228 Ų | 228 | 130 Ų | 130 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -109.5 | 51.5 | 176.2 | -79.8 | -171.6 | -90.4 | -158.6 | -6.3 | 113.5 | ||
| 575 | A | 35.5 | Very low | 34.9 | Very low | 92 Ų | 92 | 128.3 Ų | 128.3 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -131.4 | -2.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 576 | V | 42.7 | Very low | 34.6 | Very low | 142 Ų | 142 | 128.4 Ų | 128.4 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -136.2 | 57 | -174.7 | -164.8 | 0 | 0 | 0 | 0 | 111.7 | ||
| 577 | A | 33.1 | Very low | 34.2 | Very low | 92 Ų | 92 | 129.1 Ų | 129.1 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | trans | -163 | 74.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 578 | L | 30.6 | Very low | 33.5 | Very low | 182 Ų | 182 | 132.6 Ų | 132.6 | 95% | 0.953 | 80% | 0.799 | S | S | * | * | trans | -173 | 141 | 133.9 | -125.2 | 72.9 | 0 | 0 | 0 | 110.7 | ||||
| 579 | G | 31.8 | Very low | 32.9 | Very low | 53 Ų | 53 | 130.4 Ų | 130.4 | 55% | 0.546 | 80% | 0.796 | S | S | . | * | trans | -121.1 | 174.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 580 | T | 32 | Very low | 32.1 | Very low | 152 Ų | 152 | 129.8 Ų | 129.8 | 93% | 0.933 | 79% | 0.793 | S | S | * | * | trans | 68.9 | 137.4 | -171.8 | 76.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 581 | G | 28.9 | Very low | 31.5 | Very low | 70 Ų | 70 | 131.2 Ų | 131.2 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | cis | 103.2 | 148.4 | -3.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 582 | P | 47.2 | Very low | 31 | Very low | 127 Ų | 127 | 131.3 Ų | 131.3 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | cis | -132.2 | -167 | -3.2 | 42.2 | -25.1 | 0 | 0 | 0 | 114.4 | ||||
| 583 | R | 27.6 | Very low | 30.4 | Very low | 249 Ų | 249 | 133.7 Ų | 133.7 | 94% | 0.94 | 79% | 0.79 | S | S | * | * | trans | 77 | 130.3 | 156.9 | -158.1 | -174.8 | -154.5 | -120.4 | 8.2 | 117.4 | ||||
| 584 | G | 27.8 | Very low | 31.4 | Very low | 67 Ų | 67 | 130.5 Ų | 130.5 | 69% | 0.691 | 79% | 0.786 | S | S | * | * | cis | 146.3 | 129.7 | -17.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 585 | T | 28.4 | Very low | 31 | Very low | 139 Ų | 139 | 126.8 Ų | 126.8 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | trans | -166.5 | 128.1 | 155.2 | 34.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 586 | S | 24.6 | Very low | 30.6 | Very low | 106 Ų | 106 | 128.2 Ų | 128.2 | 74% | 0.741 | 79% | 0.787 | S | S | * | * | 61.1 | 121.1 | 76.9 | -154.6 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 587 | L | 27.7 | Very low | 29.9 | Very low | 141 Ų | 141 | 126 Ų | 126 | 74% | 0.738 | 78% | 0.784 | S | S | * | * | cis | -133.8 | -179.4 | 33 | -138.9 | 66 | 0 | 0 | 0 | 109.9 | ||||
| 588 | E | 25 | Very low | 29.5 | Very low | 175 Ų | 175 | 128.7 Ų | 128.7 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | cis | -152.6 | 171 | 6.3 | -166.4 | 156.7 | -147.3 | 0 | 0 | 109.9 | ||||
| 589 | C | 25.9 | Very low | 29.4 | Very low | 113 Ų | 113 | 128.2 Ų | 128.2 | 76% | 0.764 | 78% | 0.784 | S | S | * | * | trans | -147.7 | 139.7 | -170.6 | -172.9 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 590 | T | 26.1 | Very low | 29 | Very low | 128 Ų | 128 | 132.1 Ų | 132.1 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | -144.1 | 119.8 | 164.6 | 50.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 591 | V | 24.8 | Very low | 28.6 | Very low | 124 Ų | 124 | 135 Ų | 135 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | 73.3 | 121.8 | 66.9 | 170 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 592 | C | 24.3 | Very low | 28.6 | Very low | 96 Ų | 96 | 139 Ų | 139 | 65% | 0.649 | 80% | 0.795 | S | S | * | * | cis | -159.2 | 153.5 | 1.2 | -119.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 593 | D | 23.4 | Very low | 27.6 | Very low | 148 Ų | 148 | 135.8 Ų | 135.8 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | trans | 45.5 | 153.4 | 144.2 | -63.1 | -43.4 | 0 | 0 | 0 | 126 | ||||
| 594 | P | 59.5 | Low | 27.7 | Very low | 117 Ų | 117 | 130.5 Ų | 130.5 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | trans | -109 | 157.5 | -176.2 | 41.3 | -33.5 | 0 | 0 | 0 | 115.8 | ||||
| 595 | V | 24.3 | Very low | 27.7 | Very low | 149 Ų | 149 | 136.5 Ų | 136.5 | 90% | 0.903 | 79% | 0.788 | S | S | * | * | trans | -141.8 | 152.1 | 171.4 | -178.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 596 | T | 26.6 | Very low | 27.7 | Very low | 123 Ų | 123 | 134.4 Ų | 134.4 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | trans | -89.1 | 146.6 | -170.3 | 50.8 | 0 | 0 | 0 | 0 | 117 | ||||
| 597 | A | 27.9 | Very low | 27.9 | Very low | 96 Ų | 96 | 140.9 Ų | 140.9 | 79% | 0.793 | 79% | 0.793 | S | S | * | * | trans | 41.7 | 135.6 | 135.7 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 598 | T | 25.5 | Very low | 28.1 | Very low | 147 Ų | 147 | 142.5 Ų | 142.5 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | trans | -153.3 | 143.3 | 147.7 | -35.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 599 | E | 27.4 | Very low | 28.2 | Very low | 173 Ų | 173 | 142.3 Ų | 142.3 | 81% | 0.808 | 80% | 0.8 | S | S | * | * | trans | -86.1 | 163.1 | 175.3 | -62.3 | 179.2 | 91.7 | 0 | 0 | 113.5 | ||||
| 600 | T | 24 | Very low | 28.4 | Very low | 135 Ų | 135 | 142.5 Ų | 142.5 | 83% | 0.828 | 79% | 0.793 | S | S | * | * | 149.7 | 158.7 | 126 | 47.5 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 601 | R | 23.8 | Very low | 28.4 | Very low | 212 Ų | 212 | 143.4 Ų | 143.4 | 80% | 0.8 | 79% | 0.794 | S | S | * | * | cis | -175.9 | 140.1 | -30.9 | 178.8 | -179.6 | 177.9 | -163.7 | 1.1 | 110 | ||||
| 602 | L | 29.7 | Very low | 28.5 | Very low | 154 Ų | 154 | 142 Ų | 142 | 81% | 0.806 | 80% | 0.796 | S | S | * | * | trans | 67.6 | 139.9 | 165.3 | -110.6 | 58.1 | 0 | 0 | 0 | 118.8 | ||||
| 603 | G | 26 | Very low | 28.6 | Very low | 59 Ų | 59 | 142.6 Ų | 142.6 | 61% | 0.608 | 80% | 0.801 | S | S | * | * | cis | 156.4 | 165.5 | -15 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 604 | T | 29.4 | Very low | 28.9 | Very low | 138 Ų | 138 | 143.7 Ų | 143.7 | 85% | 0.847 | 81% | 0.805 | S | S | * | * | trans | 69.7 | 147.2 | 165.3 | 19 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 605 | K | 27.3 | Very low | 27.3 | Very low | 194 Ų | 194 | 146 Ų | 146 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | cis | -155.1 | 110.3 | 16 | -164.9 | 171 | -177.5 | 176.9 | 0 | 116.3 | ||||
| 606 | A | 27.7 | Very low | 27.3 | Very low | 95 Ų | 95 | 144.5 Ų | 144.5 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | trans | 28.6 | 128.8 | 139.1 | 0 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 607 | R | 30.4 | Very low | 27.3 | Very low | 242 Ų | 242 | 144.1 Ų | 144.1 | 91% | 0.913 | 80% | 0.799 | S | S | * | * | trans | -168.5 | 94.8 | 133.1 | -102.2 | -179.2 | -179.7 | -169.8 | -0.4 | 107.7 | ||||
| 608 | Q | 30 | Very low | 27.1 | Very low | 174 Ų | 174 | 144.6 Ų | 144.6 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | 76.5 | 101.7 | 80 | -171.3 | -178.6 | 20.3 | 0 | 0 | 114.8 | |||||
| 609 | L | 27.6 | Very low | 27.3 | Very low | 172 Ų | 172 | 145.6 Ų | 145.6 | 90% | 0.901 | 80% | 0.802 | S | S | * | * | trans | -153.7 | 151.6 | 137.6 | -103.6 | 174 | 0 | 0 | 0 | 108.9 | ||||
| 610 | N | 29.7 | Very low | 27.1 | Very low | 116 Ų | 116 | 142 Ų | 142 | 62% | 0.62 | 80% | 0.795 | S | S | * | * | trans | -116.1 | 168 | -178.7 | -76.1 | 59.4 | 0 | 0 | 0 | 107.5 | ||||
| 611 | D | 27.6 | Very low | 27 | Very low | 147 Ų | 147 | 141 Ų | 141 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | cis | -158.4 | 169.7 | -14.5 | -96.7 | -34.2 | 0 | 0 | 0 | 103.7 | ||||
| 612 | A | 25.4 | Very low | 27.1 | Very low | 96 Ų | 96 | 139.4 Ų | 139.4 | 79% | 0.793 | 78% | 0.784 | S | S | * | * | cis | -151.5 | 162.8 | 21.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 613 | S | 27.4 | Very low | 26.9 | Very low | 108 Ų | 108 | 137.7 Ų | 137.7 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | trans | -155 | 139.4 | 165.1 | 175.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 614 | I | 28.9 | Very low | 26.9 | Very low | 171 Ų | 171 | 142.1 Ų | 142.1 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | trans | -138.1 | 130.2 | 166.5 | -66.3 | -173.4 | 0 | 0 | 0 | 109.3 | ||||
| 615 | Q | 27.1 | Very low | 26.7 | Very low | 166 Ų | 166 | 140.7 Ų | 140.7 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | trans | -99 | 146.4 | 173.1 | -81.5 | -178.5 | -30.6 | 0 | 0 | 112.1 | ||||
| 616 | T | 23.7 | Very low | 26.5 | Very low | 117 Ų | 117 | 140.1 Ų | 140.1 | 72% | 0.718 | 78% | 0.78 | S | S | * | * | trans | 32.6 | 112.2 | 131.3 | -23.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 617 | S | 26.5 | Very low | 26.3 | Very low | 115 Ų | 115 | 138.7 Ų | 138.7 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | 74.2 | 168.5 | 135 | 74.4 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 618 | A | 23.4 | Very low | 26.3 | Very low | 105 Ų | 105 | 133.6 Ų | 133.6 | 87% | 0.868 | 77% | 0.773 | S | S | * | * | trans | 85.1 | 159.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 619 | L | 30.6 | Very low | 26.4 | Very low | 169 Ų | 169 | 131.6 Ų | 131.6 | 89% | 0.885 | 76% | 0.764 | S | S | * | * | trans | -146.4 | 131.3 | -149.5 | 169.9 | 114.3 | 0 | 0 | 0 | 113 | ||||
| 620 | S | 22.6 | Very low | 26.8 | Very low | 97 Ų | 97 | 128.7 Ų | 128.7 | 68% | 0.678 | 76% | 0.755 | S | S | * | * | trans | -175.6 | 139.9 | 158.7 | -99.3 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 621 | N | 23.1 | Very low | 26.7 | Very low | 114 Ų | 114 | 129.8 Ų | 129.8 | 61% | 0.61 | 76% | 0.76 | S | S | * | * | trans | 68.9 | 129.7 | 141.1 | -56.7 | -26.9 | 0 | 0 | 0 | 119.6 | ||||
| 622 | K | 25.9 | Very low | 26.7 | Very low | 179 Ų | 179 | 129.8 Ų | 129.8 | 78% | 0.778 | 77% | 0.766 | S | S | * | * | cis | 90.8 | 139.6 | 46 | -71.1 | 166.7 | -157.1 | 146.8 | 0 | 113.4 | ||||
| 623 | T | 24.3 | Very low | 27.1 | Very low | 117 Ų | 117 | 135 Ų | 135 | 72% | 0.718 | 77% | 0.771 | S | S | * | * | cis | -173.3 | 148.1 | -5.4 | -100.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 624 | L | 25.8 | Very low | 27.2 | Very low | 152 Ų | 152 | 134.8 Ų | 134.8 | 80% | 0.796 | 77% | 0.769 | S | S | * | * | trans | 82.5 | 163.5 | 156.6 | -132.1 | 74.6 | 0 | 0 | 0 | 124.1 | ||||
| 625 | T | 24.8 | Very low | 27.2 | Very low | 108 Ų | 108 | 133.1 Ų | 133.1 | 66% | 0.663 | 77% | 0.767 | S | S | * | * | trans | 87.2 | 140.3 | 165.8 | 67.9 | 0 | 0 | 0 | 0 | 118 | ||||
| 626 | H | 24.6 | Very low | 27.3 | Very low | 182 Ų | 182 | 130 Ų | 130 | 84% | 0.843 | 76% | 0.763 | S | S | * | * | cis | -149.2 | 160.2 | -2.3 | -109.4 | -59.4 | 0 | 0 | 0 | 110.6 | ||||
| 627 | G | 23.7 | Very low | 27.7 | Very low | 66 Ų | 66 | 132.5 Ų | 132.5 | 68% | 0.68 | 77% | 0.771 | S | S | * | * | trans | -90.2 | -174.1 | 163.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 628 | P | 30.7 | Very low | 27.8 | Very low | 134 Ų | 134 | 134.3 Ų | 134.3 | 87% | 0.87 | 77% | 0.772 | S | S | * | * | cis | -135.6 | -174.2 | 27.9 | 43.1 | -25.9 | 0 | 0 | 0 | 116.5 | ||||
| 629 | Q | 30.1 | Very low | 28.1 | Very low | 133 Ų | 133 | 134.6 Ų | 134.6 | 62% | 0.621 | 77% | 0.768 | S | S | * | * | trans | -81.5 | 165.4 | 173.3 | -138.6 | -159.8 | 85.2 | 0 | 0 | 112.1 | ||||
| 630 | P | 36.8 | Very low | 28 | Very low | 111 Ų | 111 | 130.2 Ų | 130.2 | 72% | 0.721 | 76% | 0.763 | S | S | * | * | -152.3 | 147.8 | 82.9 | 38.9 | -19.6 | 0 | 0 | 0 | 118.8 | |||||
| 631 | L | 28.4 | Very low | 28.4 | Very low | 139 Ų | 139 | 136 Ų | 136 | 73% | 0.728 | 78% | 0.776 | S | S | * | * | trans | 44.9 | 115.7 | 138.2 | -57.4 | 174.7 | 0 | 0 | 0 | 122 | ||||
| 632 | T | 27.2 | Very low | 28.6 | Very low | 147 Ų | 147 | 136.6 Ų | 136.6 | 90% | 0.902 | 79% | 0.789 | S | S | * | * | -165.5 | 155.1 | 110.3 | 11.1 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 633 | K | 33.2 | Very low | 28.7 | Very low | 206 Ų | 206 | 132.5 Ų | 132.5 | 90% | 0.896 | 78% | 0.783 | S | S | * | * | trans | -94.9 | 160.9 | 170 | -58.1 | -176.9 | 179.4 | -172.8 | 0 | 108.2 | ||||
| 634 | S | 31.1 | Very low | 28.7 | Very low | 103 Ų | 103 | 135 Ų | 135 | 72% | 0.72 | 79% | 0.791 | S | S | * | * | cis | -162.4 | 155.5 | 37.4 | 62.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 635 | V | 28.1 | Very low | 28.8 | Very low | 136 Ų | 136 | 132.8 Ų | 132.8 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | 47 | 127.4 | 101.3 | -172.8 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 636 | S | 30 | Very low | 29.3 | Very low | 100 Ų | 100 | 133.5 Ų | 133.5 | 70% | 0.699 | 79% | 0.793 | S | S | * | * | cis | -156.1 | 154.7 | 25.3 | 47.9 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 637 | L | 31 | Very low | 29.7 | Very low | 169 Ų | 169 | 134.2 Ų | 134.2 | 89% | 0.885 | 80% | 0.799 | S | S | * | * | trans | 40.8 | 132.9 | 137.5 | -66.3 | 171.5 | 0 | 0 | 0 | 124.8 | ||||
| 638 | D | 28.8 | Very low | 29.8 | Very low | 153 Ų | 153 | 134.5 Ų | 134.5 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | 108.1 | 147.3 | 131.4 | -152.8 | 31 | 0 | 0 | 0 | 122 | ||||
| 639 | S | 30 | Very low | 29.8 | Very low | 112 Ų | 112 | 135.2 Ų | 135.2 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | trans | 69.5 | 137.7 | 179.5 | 74.6 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 640 | G | 27.1 | Very low | 29.6 | Very low | 76 Ų | 76 | 134.4 Ų | 134.4 | 78% | 0.784 | 81% | 0.812 | S | S | * | * | cis | -173 | 167.5 | -5.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 641 | F | 32.6 | Very low | 29.1 | Very low | 219 Ų | 219 | 138.8 Ų | 138.8 | 96% | 0.961 | 82% | 0.822 | S | S | * | * | trans | -85.5 | 161.8 | 176 | -77.5 | -92.5 | 0 | 0 | 0 | 112.8 | ||||
| 642 | S | 26 | Very low | 29.2 | Very low | 126 Ų | 126 | 136.5 Ų | 136.5 | 88% | 0.881 | 82% | 0.823 | S | S | * | * | trans | -144.4 | 151.2 | 152.7 | -168.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 643 | S | 28.7 | Very low | 29.5 | Very low | 94 Ų | 94 | 137.1 Ų | 137.1 | 66% | 0.657 | 82% | 0.82 | S | S | * | * | trans | -119.9 | 168 | -174.1 | 61.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 644 | I | 25.2 | Very low | 30 | Very low | 170 Ų | 170 | 132.9 Ų | 132.9 | 87% | 0.872 | 81% | 0.813 | S | S | * | * | trans | -132.6 | 136.5 | 158.2 | -62.5 | -176.5 | 0 | 0 | 0 | 107.9 | ||||
| 645 | C | 27.3 | Very low | 30 | Very low | 104 Ų | 104 | 131.7 Ų | 131.7 | 70% | 0.703 | 81% | 0.81 | S | S | * | * | trans | -106.6 | 162.3 | -176.3 | -53.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 646 | P | 34.3 | Very low | 30.2 | Very low | 123 Ų | 123 | 133.6 Ų | 133.6 | 80% | 0.799 | 81% | 0.809 | S | S | * | * | trans | -103.5 | 114.8 | 167.6 | 34.7 | -26.3 | 0 | 0 | 0 | 112.6 | ||||
| 647 | M | 32.9 | Very low | 30.2 | Very low | 197 Ų | 197 | 133.7 Ų | 133.7 | 97% | 0.97 | 81% | 0.809 | S | S | * | * | trans | -171.7 | 142.5 | 144.8 | -150.2 | 64.4 | 175.6 | 0 | 0 | 111.3 | ||||
| 648 | G | 27.2 | Very low | 30.4 | Very low | 73 Ų | 73 | 131.2 Ų | 131.2 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | trans | 104.6 | 140.6 | 158.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 649 | T | 29.3 | Very low | 30.5 | Very low | 148 Ų | 148 | 131.8 Ų | 131.8 | 91% | 0.908 | 81% | 0.806 | S | S | * | * | trans | -83.7 | 151.2 | 178.2 | 41.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 650 | C | 26.8 | Very low | 30.5 | Very low | 117 Ų | 117 | 131.2 Ų | 131.2 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | trans | -97.4 | 128.8 | 179 | -64.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 651 | H | 26.4 | Very low | 30.8 | Very low | 202 Ų | 202 | 137 Ų | 137 | 94% | 0.935 | 80% | 0.8 | S | S | * | * | trans | -134.2 | 163.1 | 144.5 | -80 | -36.8 | 0 | 0 | 0 | 108.9 | ||||
| 652 | A | 30.8 | Very low | 30.8 | Very low | 91 Ų | 91 | 133.7 Ų | 133.7 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | trans | -95.5 | 143.9 | -145.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 653 | I | 33.1 | Very low | 31 | Very low | 160 Ų | 160 | 136 Ų | 136 | 82% | 0.821 | 78% | 0.784 | S | S | * | * | 32.8 | 132.6 | 125.5 | -67.9 | 173.5 | 0 | 0 | 0 | 117.3 | |||||
| 654 | P | 42.6 | Very low | 31.3 | Very low | 117 Ų | 117 | 140.4 Ų | 140.4 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | cis | -146.6 | -176.5 | 38.9 | 34.3 | -10.9 | 0 | 0 | 0 | 119.2 | ||||
| 655 | A | 31.3 | Very low | 32.8 | Very low | 79 Ų | 79 | 137.2 Ų | 137.2 | 65% | 0.653 | 78% | 0.784 | S | S | * | * | trans | 103 | 98.2 | 136.6 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 656 | H | 32.7 | Very low | 33 | Very low | 175 Ų | 175 | 141.2 Ų | 141.2 | 81% | 0.81 | 79% | 0.792 | S | S | * | * | 68.6 | 116.7 | 122.5 | -66.2 | -65.6 | 0 | 0 | 0 | 125.8 | |||||
| 657 | C | 30 | Very low | 32.9 | Very low | 102 Ų | 102 | 140.5 Ų | 140.5 | 69% | 0.689 | 79% | 0.789 | S | S | * | * | 83.1 | 101.4 | 123.6 | -64.2 | 0 | 0 | 0 | 0 | 125.2 | |||||
| 658 | C | 34.3 | Very low | 32.9 | Very low | 117 Ų | 117 | 139.7 Ų | 139.7 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | 71.3 | 163.6 | 117.7 | -58.8 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 659 | I | 31.1 | Very low | 33.1 | Very low | 166 Ų | 166 | 139 Ų | 139 | 85% | 0.851 | 78% | 0.775 | S | S | * | * | trans | 84.3 | 147.6 | 166.7 | -50.3 | 175.2 | 0 | 0 | 0 | 115.8 | ||||
| 660 | C | 30.9 | Very low | 33.2 | Very low | 100 Ų | 100 | 140 Ų | 140 | 68% | 0.676 | 77% | 0.769 | S | S | * | * | -171.6 | 139.7 | -51.7 | -98.5 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 661 | Y | 33.4 | Very low | 33.4 | Very low | 198 Ų | 198 | 144.6 Ų | 144.6 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | trans | 42.9 | 144.5 | 148.7 | -72.9 | -83.2 | 0 | 0 | 0 | 126.7 | ||||
| 662 | H | 33.6 | Very low | 34.4 | Very low | 148 Ų | 148 | 144 Ų | 144 | 69% | 0.685 | 77% | 0.768 | S | S | * | * | trans | 94.4 | 114.3 | 145.4 | -64.6 | -50.8 | 0 | 0 | 0 | 125 | ||||
| 663 | H | 29 | Very low | 34.8 | Very low | 174 Ų | 174 | 144.9 Ų | 144.9 | 81% | 0.806 | 77% | 0.768 | S | S | * | * | trans | 62.1 | 147.5 | 134.4 | -56.7 | -58 | 0 | 0 | 0 | 127.1 | ||||
| 664 | H | 34.6 | Very low | 35.2 | Very low | 187 Ų | 187 | 143.2 Ų | 143.2 | 87% | 0.866 | 77% | 0.768 | S | S | * | * | trans | -82.7 | -174.3 | 171.6 | -85.5 | -47.5 | 0 | 0 | 0 | 113.7 | ||||
| 665 | P | 57.3 | Low | 34.5 | Very low | 103 Ų | 103 | 140.8 Ų | 140.8 | 67% | 0.669 | 77% | 0.765 | S | S | * | * | cis | -134.7 | -175.1 | -38 | 37.2 | -20 | 0 | 0 | 0 | 112.9 | ||||
| 666 | H | 31.3 | Very low | 35.2 | Very low | 188 Ų | 188 | 142 Ų | 142 | 87% | 0.87 | 77% | 0.765 | S | S | * | * | trans | -179.1 | 178.9 | 140.8 | -103.6 | -64.1 | 0 | 0 | 0 | 113.6 | ||||
| 667 | C | 31.6 | Very low | 35.1 | Very low | 108 Ų | 108 | 141.9 Ų | 141.9 | 73% | 0.73 | 77% | 0.765 | S | S | * | * | trans | -129.3 | 160.5 | -163.5 | -52.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 668 | H | 34 | Very low | 35.4 | Very low | 181 Ų | 181 | 142.8 Ų | 142.8 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | trans | 40.1 | 133.9 | 156.9 | -83.1 | -74.6 | 0 | 0 | 0 | 121.7 | ||||
| 669 | G | 30.6 | Very low | 35.3 | Very low | 59 Ų | 59 | 141.8 Ų | 141.8 | 61% | 0.608 | 77% | 0.765 | S | S | * | * | trans | 151.5 | 90.7 | 140.8 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 670 | E | 31 | Very low | 35.5 | Very low | 167 Ų | 167 | 140.1 Ų | 140.1 | 78% | 0.78 | 76% | 0.762 | S | S | * | * | trans | 67.8 | 142.2 | 149.1 | -130.7 | -169.1 | 163.6 | 0 | 0 | 122 | ||||
| 671 | R | 32 | Very low | 35.4 | Very low | 215 Ų | 215 | 140.3 Ų | 140.3 | 81% | 0.811 | 76% | 0.763 | S | S | * | * | S | Bend | trans | 64.9 | 176.5 | 171.1 | -71.1 | -174.3 | 176.8 | -99 | -6.4 | 117.2 | S673 | R671-S673 PolarHBondContact O-N 2.81Š|
| 672 | Q | 47.3 | Very low | 35.9 | Very low | 189 Ų | 189 | 142 Ų | 142 | 88% | 0.883 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -77.1 | 109.3 | -164.6 | -70.6 | 163.4 | -20.5 | 0 | 0 | 110 | ||
| 673 | S | 38.9 | Very low | 36.1 | Very low | 109 Ų | 109 | 142.4 Ų | 142.4 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | S | Bend | trans | 74.7 | 124.7 | -164.9 | -33.2 | 0 | 0 | 0 | 0 | 113.6 | R671 | R671-S673 PolarHBondContact O-N 2.81Š|
| 674 | P | 42.9 | Very low | 36.7 | Very low | 125 Ų | 125 | 138.1 Ų | 138.1 | 81% | 0.812 | 76% | 0.758 | S | S | * | * | cis | -123.2 | 148.2 | -28.6 | 36.8 | -23.1 | 0 | 0 | 0 | 112.6 | ||||
| 675 | G | 26.4 | Very low | 36.8 | Very low | 67 Ų | 67 | 137.3 Ų | 137.3 | 69% | 0.691 | 76% | 0.76 | S | S | * | * | trans | -165.3 | 162 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 676 | P | 46.2 | Very low | 36.2 | Very low | 103 Ų | 103 | 137.3 Ų | 137.3 | 67% | 0.669 | 76% | 0.761 | S | S | * | * | trans | -127.2 | 149.6 | -147.8 | 39.2 | -24.7 | 0 | 0 | 0 | 117 | ||||
| 677 | E | 31.4 | Very low | 36.9 | Very low | 173 Ų | 173 | 133.1 Ų | 133.1 | 81% | 0.808 | 75% | 0.753 | S | S | * | * | -158 | 153.8 | 127.9 | -132.7 | -175.1 | -162.2 | 0 | 0 | 108.7 | |||||
| 678 | P | 34.8 | Very low | 37.5 | Very low | 121 Ų | 121 | 135 Ų | 135 | 79% | 0.786 | 76% | 0.755 | S | S | * | * | -138.1 | 163.9 | 92 | 39.3 | -27.3 | 0 | 0 | 0 | 115.5 | |||||
| 679 | S | 33.8 | Very low | 38.1 | Very low | 97 Ų | 97 | 131 Ų | 131 | 68% | 0.678 | 74% | 0.743 | S | S | * | * | trans | -44.4 | 144.2 | -177.6 | 49.1 | 0 | 0 | 0 | 0 | 118.1 | C681 | S679-C681 PolarHBondContact O-N 2.86Š| ||
| 680 | V | 34.4 | Very low | 39.1 | Very low | 131 Ų | 131 | 130 Ų | 130 | 79% | 0.794 | 73% | 0.733 | S | S | * | * | trans | -67.1 | 116.6 | 163.2 | 175.1 | 0 | 0 | 0 | 0 | 110.1 | R682 | V680-R682 HydrophobicContact CG1-CG 4.37Š| ||
| 681 | C | 29.2 | Very low | 40.2 | Very low | 104 Ų | 104 | 128.1 Ų | 128.1 | 70% | 0.703 | 72% | 0.724 | S | S | * | * | trans | -85.6 | 108.5 | 166.4 | -171.2 | 0 | 0 | 0 | 0 | 110.4 | S679 H683 | S679-C681 PolarHBondContact O-N 2.86Å; C681-H683 PolarHBondContact O-N 3.36Å | ||
| 682 | R | 44.4 | Very low | 41.1 | Very low | 232 Ų | 232 | 124.8 Ų | 124.8 | 88% | 0.875 | 72% | 0.718 | S | S | * | * | trans | -88.6 | 70.8 | 172.6 | -101.4 | -171.5 | 169.2 | -169.3 | -2.5 | 111.2 | V680 | V680-R682 HydrophobicContact CG1-CG 4.37Š| ||
| 683 | H | 37.8 | Very low | 41.8 | Very low | 158 Ų | 158 | 122.1 Ų | 122.1 | 73% | 0.731 | 71% | 0.705 | S | S | * | * | trans | -150.6 | 143.3 | 166.8 | -77.8 | -68.4 | 0 | 0 | 0 | 109.3 | C681 | C681-H683 PolarHBondContact O-N 3.36Š| ||
| 684 | C | 39.9 | Very low | 43.2 | Very low | 83 Ų | 83 | 119.6 Ų | 119.6 | 56% | 0.561 | 69% | 0.691 | S | S | * | * | cis | -152.8 | 130.3 | -9.7 | -131.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 685 | L | 38.1 | Very low | 44.3 | Very low | 170 Ų | 170 | 118.9 Ų | 118.9 | 89% | 0.89 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -100.6 | 0.7 | 176.1 | -76.2 | 173 | 0 | 0 | 0 | 113.5 | S687 | L685-S687 VanDerWaalsContact C-N 3.33Å; L685-S687 PolarHBondContact O-N 3.35Å |
| 686 | C | 44.4 | Very low | 46.2 | Very low | 104 Ų | 104 | 122.1 Ų | 122.1 | 70% | 0.703 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | 3.1 | -170.2 | -49.3 | 0 | 0 | 0 | 0 | 115.1 | ||
| 687 | S | 46.3 | Very low | 47.6 | Very low | 99 Ų | 99 | 122.4 Ų | 122.4 | 69% | 0.692 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.8 | -8 | -170.2 | -55.7 | 0 | 0 | 0 | 0 | 115.1 | L685 | L685-S687 VanDerWaalsContact C-N 3.33Å; L685-S687 PolarHBondContact O-N 3.35Å |
| 688 | L | 43.5 | Very low | 49.5 | Very low | 149 Ų | 149 | 118.5 Ų | 118.5 | 78% | 0.78 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -92.7 | -36.8 | -175.2 | -167.1 | 63.9 | 0 | 0 | 0 | 113.1 | ||
| 689 | T | 47.6 | Very low | 51.2 | Low | 95 Ų | 95 | 116.4 Ų | 116.4 | 58% | 0.583 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -65.4 | -48.5 | 178.8 | 29.9 | 0 | 0 | 0 | 0 | 112.6 | H691 Q692 E693 | T689-H691 VanDerWaalsContact C-N 3.26Å; T689-H691 PolarHBondContact O-N 3.45Å; T689-Q692 PolarHBondContact O-N 3.32Å; T689-E693 PolarHBondContact O-N 3.09Å |
| 690 | G | 50.9 | Low | 53 | Low | 38 Ų | 38 | 114.8 Ų | 114.8 | 39% | 0.392 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -60.4 | -29.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | A694 | G690-A694 WeakPolarHBondContact O-CB 3.45Å; G690-A694 PolarHBondContact O-N 3.46Å |
| 691 | H | 53.9 | Low | 55.1 | Low | 128 Ų | 128 | 113.2 Ų | 113.2 | 59% | 0.593 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -68.5 | -42.2 | 173.7 | -174 | -55.8 | 0 | 0 | 0 | 111.6 | T689 Q695 | T689-H691 VanDerWaalsContact C-N 3.26Å; T689-H691 PolarHBondContact O-N 3.45Å; H691-Q695 PolarHBondContact CE1-OE1 2.94Å; H691-Q695 WeakPolarHBondContact O-CB 3.36Å; H691-Q695 PolarHBondContact O-N 3.42Å |
| 692 | Q | 51.9 | Low | 57.1 | Low | 146 Ų | 146 | 110.6 Ų | 110.6 | 68% | 0.682 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -71.6 | -35.6 | -177.7 | -162.4 | 166.8 | 24.9 | 0 | 0 | 111.3 | T689 Q695 F696 | T689-Q692 PolarHBondContact O-N 3.32Å; Q692-Q695 PolarHBondContact O-N 3.05Å; Q692-F696 WeakPolarHBondContact O-CB 3.48Å; Q692-F696 PolarHBondContact O-N 3.45Å |
| 693 | E | 60.8 | Low | 58.1 | Low | 133 Ų | 133 | 104.2 Ų | 104.2 | 62% | 0.621 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -68.6 | -44.7 | 174.8 | -164.9 | 161.5 | -139.7 | 0 | 0 | 112.1 | T689 Q695 F696 M697 | T689-E693 PolarHBondContact O-N 3.09Å; E693-Q695 PolarHBondContact O-N 2.89Å; E693-F696 PolarHBondContact O-N 3.38Å; E693-M697 WeakPolarHBondContact O-CG 3.46Å; E693-M697 PolarHBondContact O-N 2.82Å |
| 694 | A | 68.8 | Low | 59.5 | Low | 56 Ų | 56 | 100.3 Ų | 100.3 | 46% | 0.463 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.6 | -36.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | G690 M697 T698 | G690-A694 WeakPolarHBondContact O-CB 3.45Å; G690-A694 PolarHBondContact O-N 3.46Å; A694-M697 PolarHBondContact O-N 3.24Å; A694-T698 WeakPolarHBondContact O-CB 3.38Å; A694-T698 WeakPolarHBondContact O-CG2 3.3Å; A694-T698 PolarHBondContact O-N 3.46Å; A694-T698 PolarHBondContact O-OG1 3.46Å |
| 695 | Q | 65.9 | Low | 60.8 | Low | 109 Ų | 109 | 99.2 Ų | 99.2 | 51% | 0.509 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -70.7 | -34.3 | 176 | -167 | 168.6 | 18.5 | 0 | 0 | 112.1 | H691 Q692 E693 T698 T699 | H691-Q695 PolarHBondContact CE1-OE1 2.94Å; H691-Q695 WeakPolarHBondContact O-CB 3.36Å; H691-Q695 PolarHBondContact O-N 3.42Å; Q692-Q695 PolarHBondContact O-N 3.05Å; E693-Q695 PolarHBondContact O-N 2.89Å; Q695-T698 WeakPolarHBondContact CA-OG1 3.39Å; Q695-T698 PolarHBondContact O-OG1 3.39Å; Q695-T699 WeakPolarHBondContact O-CB 3.17Å; Q695-T699 PolarHBondContact O-N 3.4Å; Q695-T699 VanDerWaalsContact O-N 3.15Å; Q695-T699 PolarHBondContact O-OG1 2.94Å |
| 696 | F | 67.1 | Low | 62.5 | Low | 136 Ų | 136 | 93.3 Ų | 93.3 | 60% | 0.596 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.5 | -46.4 | 170.4 | -178.2 | -111.5 | 0 | 0 | 0 | 111.4 | Q692 E693 T699 L700 | Q692-F696 WeakPolarHBondContact O-CB 3.48Å; Q692-F696 PolarHBondContact O-N 3.45Å; E693-F696 PolarHBondContact O-N 3.38Å; F696-T699 PolarHBondContact O-N 2.93Å; F696-L700 HydrophobicContact CD1-CD1 4.04Å; F696-L700 HydrophobicContact CE1-CD1 3.44Å; F696-L700 VanDerWaalsContact CE1-CD1 3.44Å; F696-L700 HydrophobicContact CE2-CD1 4.32Å; F696-L700 HydrophobicContact CZ-CD1 3.6Å; F696-L700 HydrophobicContact CZ-CG 4.37Å; F696-L700 PolarHBondContact O-N 3.38Å |
| 697 | M | 73.8 | Confident | 63.4 | Low | 109 Ų | 109 | 91.7 Ų | 91.7 | 54% | 0.537 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.7 | -39.1 | -179.8 | -71.9 | -91 | 65 | 0 | 0 | 113.3 | E693 A694 T699 L700 K701 | E693-M697 WeakPolarHBondContact O-CG 3.46Å; E693-M697 PolarHBondContact O-N 2.82Å; A694-M697 PolarHBondContact O-N 3.24Å; M697-T699 VanDerWaalsContact C-N 3.33Å; M697-L700 HydrophobicContact CE-CB 4.06Å; M697-L700 HydrophobicContact CE-CD1 3.69Å; M697-L700 PolarHBondContact O-N 2.73Å; M697-K701 WeakPolarHBondContact O-CB 3.42Å; M697-K701 PolarHBondContact O-N 2.83Å |
| 698 | T | 72 | Confident | 64.3 | Low | 91 Ų | 91 | 88.5 Ų | 88.5 | 56% | 0.558 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -65.8 | -35.4 | 172.4 | 45.1 | 0 | 0 | 0 | 0 | 112.3 | A694 Q695 A702 | A694-T698 WeakPolarHBondContact O-CB 3.38Å; A694-T698 WeakPolarHBondContact O-CG2 3.3Å; A694-T698 PolarHBondContact O-N 3.46Å; A694-T698 PolarHBondContact O-OG1 3.46Å; Q695-T698 WeakPolarHBondContact CA-OG1 3.39Å; Q695-T698 PolarHBondContact O-OG1 3.39Å; T698-A702 WeakPolarHBondContact O-CB 3.33Å; T698-A702 PolarHBondContact O-N 3.18Å |
| 699 | T | 71.3 | Confident | 65.4 | Low | 77 Ų | 77 | 88.7 Ų | 88.7 | 47% | 0.472 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -68.2 | -41.5 | 173.7 | -55.1 | 0 | 0 | 0 | 0 | 111.8 | Q695 F696 M697 A702 L703 | Q695-T699 WeakPolarHBondContact O-CB 3.17Å; Q695-T699 PolarHBondContact O-N 3.4Å; Q695-T699 VanDerWaalsContact O-N 3.15Å; Q695-T699 PolarHBondContact O-OG1 2.94Å; F696-T699 PolarHBondContact O-N 2.93Å; M697-T699 VanDerWaalsContact C-N 3.33Å; T699-A702 PolarHBondContact O-N 3.45Å; T699-L703 HydrophobicContact CG2-CD1 4.3Å; T699-L703 WeakPolarHBondContact O-CG 3.22Å; T699-L703 PolarHBondContact O-N 3.04Å |
| 700 | L | 71.6 | Confident | 66 | Low | 63 Ų | 63 | 89.6 Ų | 89.6 | 33% | 0.33 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64.1 | -43.3 | 174.9 | -99.6 | 170.1 | 0 | 0 | 0 | 112.2 | F696 M697 L703 Q704 | F696-L700 HydrophobicContact CD1-CD1 4.04Å; F696-L700 HydrophobicContact CE1-CD1 3.44Å; F696-L700 VanDerWaalsContact CE1-CD1 3.44Å; F696-L700 HydrophobicContact CE2-CD1 4.32Å; F696-L700 HydrophobicContact CZ-CD1 3.6Å; F696-L700 HydrophobicContact CZ-CG 4.37Å; F696-L700 PolarHBondContact O-N 3.38Å; M697-L700 HydrophobicContact CE-CB 4.06Å; M697-L700 HydrophobicContact CE-CD1 3.69Å; M697-L700 PolarHBondContact O-N 2.73Å; L700-L703 PolarHBondContact O-N 3.2Å; L700-Q704 PolarHBondContact O-N 3.44Å |
| 701 | K | 76.9 | Confident | 66.5 | Low | 97 Ų | 97 | 93.8 Ų | 93.8 | 42% | 0.422 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.7 | -42.6 | 175.3 | -174.6 | 165.5 | -178.7 | 165.8 | 0 | 111.5 | M697 L703 Q704 D705 | M697-K701 WeakPolarHBondContact O-CB 3.42Å; M697-K701 PolarHBondContact O-N 2.83Å; K701-L703 VanDerWaalsContact C-N 3.31Å; K701-L703 PolarHBondContact O-N 3.34Å; K701-Q704 PolarHBondContact O-N 3.25Å; K701-D705 WeakPolarHBondContact O-CB 3.23Å; K701-D705 PolarHBondContact O-N 3.39Å |
| 702 | A | 71.6 | Confident | 66.7 | Low | 49 Ų | 49 | 89.1 Ų | 89.1 | 41% | 0.405 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64 | -33.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | T698 T699 T706 | T698-A702 WeakPolarHBondContact O-CB 3.33Å; T698-A702 PolarHBondContact O-N 3.18Å; T699-A702 PolarHBondContact O-N 3.45Å; A702-T706 VanDerWaalsContact O-CB 3.24Å; A702-T706 WeakPolarHBondContact O-CB 3.49Å; A702-T706 PolarHBondContact O-N 3.19Å; A702-T706 PolarHBondContact O-OG1 2.84Å |
| 703 | L | 65.8 | Low | 67.3 | Low | 99 Ų | 99 | 85 Ų | 85 | 52% | 0.518 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -70.7 | -39.6 | 172.8 | -81.4 | 164.6 | 0 | 0 | 0 | 112.3 | T699 L700 K701 T706 T707 | T699-L703 HydrophobicContact CG2-CD1 4.3Å; T699-L703 WeakPolarHBondContact O-CG 3.22Å; T699-L703 PolarHBondContact O-N 3.04Å; L700-L703 PolarHBondContact O-N 3.2Å; K701-L703 VanDerWaalsContact C-N 3.31Å; K701-L703 PolarHBondContact O-N 3.34Å; L703-T706 PolarHBondContact O-N 3.35Å; L703-T707 WeakPolarHBondContact O-CB 3.4Å; L703-T707 WeakPolarHBondContact O-CG2 3.34Å; L703-T707 PolarHBondContact O-N 3.33Å; L703-T707 PolarHBondContact O-OG1 3Å |
| 704 | Q | 67.3 | Low | 67.6 | Low | 75 Ų | 75 | 82.2 Ų | 82.2 | 35% | 0.35 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63.9 | -52.5 | 172.2 | -77.2 | -176.7 | -47.4 | 0 | 0 | 111.1 | L700 K701 T706 T707 V708 | L700-Q704 PolarHBondContact O-N 3.44Å; K701-Q704 PolarHBondContact O-N 3.25Å; Q704-T706 PolarHBondContact O-N 2.87Å; Q704-T707 PolarHBondContact O-N 3.05Å; Q704-T707 PolarHBondContact O-OG1 3.08Å; Q704-V708 WeakPolarHBondContact O-CB 3.44Å; Q704-V708 VanDerWaalsContact O-CG2 3.28Å; Q704-V708 WeakPolarHBondContact O-CG2 3.4Å; Q704-V708 PolarHBondContact O-N 3.26Å |
| 705 | D | 68.2 | Low | 68.1 | Low | 61 Ų | 61 | 82.6 Ų | 82.6 | 33% | 0.326 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -55.3 | -38 | 176.5 | -74.3 | -2.9 | 0 | 0 | 0 | 111.9 | K701 R709 | K701-D705 WeakPolarHBondContact O-CB 3.23Å; K701-D705 PolarHBondContact O-N 3.39Å; D705-R709 WeakPolarHBondContact O-CB 3.49Å; D705-R709 PolarHBondContact O-N 3.15Å |
| 706 | T | 72.6 | Confident | 68.9 | Low | 45 Ų | 45 | 77.9 Ų | 77.9 | 28% | 0.276 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -74.6 | -46.8 | 179.8 | -59.3 | 0 | 0 | 0 | 0 | 112.4 | A702 L703 Q704 R709 E710 | A702-T706 VanDerWaalsContact O-CB 3.24Å; A702-T706 WeakPolarHBondContact O-CB 3.49Å; A702-T706 PolarHBondContact O-N 3.19Å; A702-T706 PolarHBondContact O-OG1 2.84Å; L703-T706 PolarHBondContact O-N 3.35Å; Q704-T706 PolarHBondContact O-N 2.87Å; T706-R709 PolarHBondContact O-N 3.37Å; T706-R709 PolarHBondContact OG1-NH2 3.05Å; T706-R709 VanDerWaalsContact OG1-NH2 3.07Å; T706-E710 PolarHBondContact O-N 3.05Å |
| 707 | T | 63.2 | Low | 69.8 | Low | 70 Ų | 70 | 77.9 Ų | 77.9 | 43% | 0.429 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -68.1 | -38.4 | 178.1 | 49.8 | 0 | 0 | 0 | 0 | 112 | L703 Q704 E710 L711 | L703-T707 WeakPolarHBondContact O-CB 3.4Å; L703-T707 WeakPolarHBondContact O-CG2 3.34Å; L703-T707 PolarHBondContact O-N 3.33Å; L703-T707 PolarHBondContact O-OG1 3Å; Q704-T707 PolarHBondContact O-N 3.05Å; Q704-T707 PolarHBondContact O-OG1 3.08Å; T707-E710 PolarHBondContact O-N 3.01Å; T707-L711 VanDerWaalsContact O-CB 3.28Å; T707-L711 WeakPolarHBondContact O-CB 3.41Å; T707-L711 WeakPolarHBondContact O-CG 3.33Å; T707-L711 PolarHBondContact O-N 3.04Å |
| 708 | V | 65.2 | Low | 70.4 | Confident | 33 Ų | 33 | 78.7 Ų | 78.7 | 20% | 0.2 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -60.9 | -48.5 | 170.9 | 166.1 | 0 | 0 | 0 | 0 | 110.6 | Q704 E710 L711 C712 I791 L795 | Q704-V708 WeakPolarHBondContact O-CB 3.44Å; Q704-V708 VanDerWaalsContact O-CG2 3.28Å; Q704-V708 WeakPolarHBondContact O-CG2 3.4Å; Q704-V708 PolarHBondContact O-N 3.26Å; V708-E710 VanDerWaalsContact C-N 3.35Å; V708-E710 PolarHBondContact O-N 3.36Å; V708-L711 PolarHBondContact O-N 3.45Å; V708-C712 VanDerWaalsContact O-CB 3.23Å; V708-C712 WeakPolarHBondContact O-CB 3.45Å; V708-C712 PolarHBondContact O-N 3.18Å; V708-C712 PolarHBondContact O-SG 2.89Å; V708-I791 HydrophobicContact CG1-CG2 3.5Å; V708-L795 HydrophobicContact CB-CD1 4.48Å; V708-L795 HydrophobicContact CG1-CD1 4.3Å; V708-L795 HydrophobicContact CG2-CD1 4.28Å |
| 709 | R | 66.6 | Low | 71.3 | Confident | 152 Ų | 152 | 75 Ų | 75 | 57% | 0.574 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -58.2 | -44.6 | 177.5 | 176.6 | 174.1 | 60.3 | -136.8 | -8.6 | 112.2 | D705 T706 S713 | D705-R709 WeakPolarHBondContact O-CB 3.49Å; D705-R709 PolarHBondContact O-N 3.15Å; T706-R709 PolarHBondContact O-N 3.37Å; T706-R709 PolarHBondContact OG1-NH2 3.05Å; T706-R709 VanDerWaalsContact OG1-NH2 3.07Å; R709-S713 VanDerWaalsContact O-CB 3.24Å; R709-S713 WeakPolarHBondContact O-CB 3.41Å; R709-S713 PolarHBondContact O-N 2.84Å; R709-S713 PolarHBondContact O-OG 3.35Å |
| 710 | E | 61.5 | Low | 72.2 | Confident | 114 Ų | 114 | 74.8 Ų | 74.8 | 53% | 0.533 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -70.5 | -45.2 | -179.6 | -73.9 | 176.9 | -165.9 | 0 | 0 | 112.2 | T706 T707 V708 C712 S713 C714 | T706-E710 PolarHBondContact O-N 3.05Å; T707-E710 PolarHBondContact O-N 3.01Å; V708-E710 VanDerWaalsContact C-N 3.35Å; V708-E710 PolarHBondContact O-N 3.36Å; E710-C712 PolarHBondContact O-N 3.29Å; E710-S713 WeakPolarHBondContact CA-OG 3.36Å; E710-S713 PolarHBondContact O-N 2.97Å; E710-S713 PolarHBondContact O-OG 2.95Å; E710-C714 PolarHBondContact O-N 3.22Å |
| 711 | L | 60.1 | Low | 73.1 | Confident | 127 Ų | 127 | 73.5 Ų | 73.5 | 67% | 0.665 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -66.5 | -35.8 | 177.9 | -68.6 | 169.8 | 0 | 0 | 0 | 113.1 | T707 V708 | T707-L711 VanDerWaalsContact O-CB 3.28Å; T707-L711 WeakPolarHBondContact O-CB 3.41Å; T707-L711 WeakPolarHBondContact O-CG 3.33Å; T707-L711 PolarHBondContact O-N 3.04Å; V708-L711 PolarHBondContact O-N 3.45Å |
| 712 | C | 58.8 | Low | 73.8 | Confident | 29 Ų | 29 | 73.4 Ų | 73.4 | 20% | 0.196 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -58.5 | -50.6 | 165 | -80.1 | 0 | 0 | 0 | 0 | 110.7 | V708 E710 C714 V716 I791 | V708-C712 VanDerWaalsContact O-CB 3.23Å; V708-C712 WeakPolarHBondContact O-CB 3.45Å; V708-C712 PolarHBondContact O-N 3.18Å; V708-C712 PolarHBondContact O-SG 2.89Å; E710-C712 PolarHBondContact O-N 3.29Å; C712-C714 PolarHBondContact O-N 3.06Å; C712-V716 VanDerWaalsContact O-CB 3.24Å; C712-V716 WeakPolarHBondContact O-CB 3.49Å; C712-V716 VanDerWaalsContact O-CG2 3.27Å; C712-V716 WeakPolarHBondContact O-CG2 3.42Å; C712-V716 PolarHBondContact O-N 3.46Å; C712-I791 VanDerWaalsContact SG-CD1 3.52Å; C712-I791 WeakPolarHBondContact SG-CG2 3.34Å |
| 713 | S | 65.3 | Low | 74.9 | Confident | 60 Ų | 60 | 74 Ų | 74 | 42% | 0.42 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.6 | -42.7 | -167.3 | 71.6 | 0 | 0 | 0 | 0 | 113.2 | R709 E710 H717 | R709-S713 VanDerWaalsContact O-CB 3.24Å; R709-S713 WeakPolarHBondContact O-CB 3.41Å; R709-S713 PolarHBondContact O-N 2.84Å; R709-S713 PolarHBondContact O-OG 3.35Å; E710-S713 WeakPolarHBondContact CA-OG 3.36Å; E710-S713 PolarHBondContact O-N 2.97Å; E710-S713 PolarHBondContact O-OG 2.95Å; S713-H717 WeakPolarHBondContact O-CB 3.46Å; S713-H717 PolarHBondContact O-N 2.97Å |
| 714 | C | 66.4 | Low | 76.2 | Confident | 75 Ų | 75 | 73 Ų | 73 | 51% | 0.507 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -66.5 | -65.6 | -178.7 | -60.2 | 0 | 0 | 0 | 0 | 111.7 | E710 C712 V716 H717 E718 | E710-C714 PolarHBondContact O-N 3.22Å; C712-C714 PolarHBondContact O-N 3.06Å; C714-V716 VanDerWaalsContact C-N 3.34Å; C714-V716 PolarHBondContact O-N 3.11Å; C714-H717 PolarHBondContact O-N 3.17Å; C714-E718 WeakPolarHBondContact O-CB 3.35Å; C714-E718 VanDerWaalsContact O-CG 3.32Å; C714-E718 WeakPolarHBondContact O-CG 3.19Å; C714-E718 PolarHBondContact O-N 3.43Å |
| 715 | T | 78.1 | Confident | 77.5 | Confident | 63 Ų | 63 | 74.1 Ų | 74.1 | 39% | 0.387 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.9 | -38.2 | -170.8 | -39.9 | 0 | 0 | 0 | 0 | 112.9 | M719 I787 | T715-M719 HydrophobicContact CG2-SD 4.39Å; T715-M719 VanDerWaalsContact O-CG 3.32Å; T715-M719 WeakPolarHBondContact O-CG 3.29Å; T715-M719 PolarHBondContact O-N 2.85Å; T715-I787 HydrophobicContact CG2-CD1 4.44Å |
| 716 | V | 83.9 | Confident | 78.8 | Confident | 11 Ų | 11 | 71.7 Ų | 71.7 | 7% | 0.067 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -71.4 | -43 | 178.7 | 178 | 0 | 0 | 0 | 0 | 110.4 | C712 C714 M719 E720 A784 I787 R788 | C712-V716 VanDerWaalsContact O-CB 3.24Å; C712-V716 WeakPolarHBondContact O-CB 3.49Å; C712-V716 VanDerWaalsContact O-CG2 3.27Å; C712-V716 WeakPolarHBondContact O-CG2 3.42Å; C712-V716 PolarHBondContact O-N 3.46Å; C714-V716 VanDerWaalsContact C-N 3.34Å; C714-V716 PolarHBondContact O-N 3.11Å; V716-M719 PolarHBondContact O-N 2.9Å; V716-E720 WeakPolarHBondContact O-CB 3.47Å; V716-E720 PolarHBondContact O-N 2.91Å; V716-A784 HydrophobicContact CG1-CB 4.36Å; V716-I787 HydrophobicContact CG2-CB 4.2Å; V716-I787 HydrophobicContact CG2-CG2 3.61Å; V716-R788 HydrophobicContact CB-CG 4.48Å; V716-R788 HydrophobicContact CG1-CG 3.7Å; V716-R788 VanDerWaalsContact CG1-NH1 3.3Å; V716-R788 HydrophobicContact CG2-CG 3.96Å |
| 717 | H | 85.5 | Confident | 79.8 | Confident | 136 Ų | 136 | 72.8 Ų | 72.8 | 63% | 0.63 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -67.3 | -38 | 179.4 | -174.5 | 59.5 | 0 | 0 | 0 | 112.2 | S713 C714 M719 E720 A721 | S713-H717 WeakPolarHBondContact O-CB 3.46Å; S713-H717 PolarHBondContact O-N 2.97Å; C714-H717 PolarHBondContact O-N 3.17Å; H717-M719 VanDerWaalsContact C-N 3.32Å; H717-M719 PolarHBondContact O-N 3.16Å; H717-E720 PolarHBondContact O-N 3.22Å; H717-A721 WeakPolarHBondContact O-CB 3.26Å; H717-A721 PolarHBondContact O-N 2.95Å |
| 718 | E | 87.3 | Confident | 81.2 | Confident | 125 Ų | 125 | 72.5 Ų | 72.5 | 58% | 0.584 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -59.1 | -42.8 | 173.1 | -74.5 | 170.7 | 165.4 | 0 | 0 | 111.8 | C714 M722 | C714-E718 WeakPolarHBondContact O-CB 3.35Å; C714-E718 VanDerWaalsContact O-CG 3.32Å; C714-E718 WeakPolarHBondContact O-CG 3.19Å; C714-E718 PolarHBondContact O-N 3.43Å; E718-M722 WeakPolarHBondContact O-CB 3.11Å; E718-M722 PolarHBondContact O-N 3.21Å |
| 719 | M | 90.2 | Very high | 82.7 | Confident | 15 Ų | 15 | 75.2 Ų | 75.2 | 7% | 0.074 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -73.1 | -34 | 178.1 | -70.1 | 174.7 | 55.8 | 0 | 0 | 113 | T715 V716 H717 M722 K723 R783 A784 I787 | T715-M719 HydrophobicContact CG2-SD 4.39Å; T715-M719 VanDerWaalsContact O-CG 3.32Å; T715-M719 WeakPolarHBondContact O-CG 3.29Å; T715-M719 PolarHBondContact O-N 2.85Å; V716-M719 PolarHBondContact O-N 2.9Å; H717-M719 VanDerWaalsContact C-N 3.32Å; H717-M719 PolarHBondContact O-N 3.16Å; M719-M722 PolarHBondContact O-N 2.89Å; M719-K723 WeakPolarHBondContact O-CB 3.5Å; M719-K723 PolarHBondContact O-N 3.32Å; M719-R783 HydrophobicContact CE-CB 3.54Å; M719-R783 HydrophobicContact CE-CG 3.66Å; M719-R783 PolarHBondContact SD-NH1 3.4Å; M719-A784 HydrophobicContact CB-CB 4.07Å; M719-A784 HydrophobicContact CE-CB 4.08Å; M719-A784 VanDerWaalsContact CE-N 3.31Å; M719-I787 HydrophobicContact CE-CD1 4.27Å; M719-I787 HydrophobicContact SD-CD1 3.73Å |
| 720 | E | 89.5 | Confident | 84 | Confident | 72 Ų | 72 | 70 Ų | 70 | 34% | 0.336 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -76 | -30.7 | 176.8 | -156.7 | 140.9 | -109 | 0 | 0 | 112 | V716 H717 K723 T724 R788 | V716-E720 WeakPolarHBondContact O-CB 3.47Å; V716-E720 PolarHBondContact O-N 2.91Å; H717-E720 PolarHBondContact O-N 3.22Å; E720-K723 WeakPolarHBondContact O-CB 3.44Å; E720-K723 PolarHBondContact O-N 3.48Å; E720-T724 PolarHBondContact O-N 3.47Å; E720-T724 PolarHBondContact O-OG1 2.93Å; E720-T724 VanDerWaalsContact O-OG1 3.06Å; E720-R788 IonicContact OE1-CZ 3.33Å; E720-R788 IonicContact OE1-NH1 2.86Å; E720-R788 PolarHBondContact OE1-NH1 3.41Å; E720-R788 IonicContact OE1-NH2 2.94Å; E720-R788 PolarHBondContact OE1-NH2 3.41Å; E720-R788 IonicContact OE2-CZ 3.42Å; E720-R788 IonicContact OE2-NH1 2.74Å; E720-R788 PolarHBondContact OE2-NH1 3.49Å |
| 721 | A | 90.7 | Very high | 85.6 | Confident | 35 Ų | 35 | 69.3 Ų | 69.3 | 29% | 0.289 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.7 | -45.4 | 165.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | H717 K723 T724 I725 | H717-A721 WeakPolarHBondContact O-CB 3.26Å; H717-A721 PolarHBondContact O-N 2.95Å; A721-K723 VanDerWaalsContact C-N 3.28Å; A721-K723 PolarHBondContact O-N 2.91Å; A721-T724 WeakPolarHBondContact CA-OG1 3.35Å; A721-T724 PolarHBondContact O-N 3.18Å; A721-T724 PolarHBondContact O-OG1 2.93Å; A721-I725 VanDerWaalsContact O-CG1 3.29Å; A721-I725 WeakPolarHBondContact O-CG1 3.44Å; A721-I725 PolarHBondContact O-N 3.18Å |
| 722 | M | 92.7 | Very high | 87.2 | Confident | 96 Ų | 96 | 68.9 Ų | 68.9 | 47% | 0.473 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.3 | -37.1 | 174.6 | -162.1 | 66.6 | 65.9 | 0 | 0 | 111.7 | E718 M719 I725 C726 L780 | E718-M722 WeakPolarHBondContact O-CB 3.11Å; E718-M722 PolarHBondContact O-N 3.21Å; M719-M722 PolarHBondContact O-N 2.89Å; M722-I725 PolarHBondContact O-N 2.86Å; M722-C726 PolarHBondContact O-N 3.2Å; M722-C726 PolarHBondContact O-SG 2.85Å; M722-L780 HydrophobicContact CB-CD1 3.88Å; M722-L780 HydrophobicContact CB-CD2 4.15Å; M722-L780 HydrophobicContact CG-CD1 3.53Å; M722-L780 HydrophobicContact CG-CD2 4.1Å; M722-L780 HydrophobicContact CG-CG 4.49Å |
| 723 | K | 93.9 | Very high | 88.8 | Confident | 61 Ų | 61 | 68.9 Ų | 68.9 | 27% | 0.265 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59 | -52.9 | 173.4 | -169.7 | -162.3 | 173.4 | -165.2 | 0 | 110.9 | M719 E720 A721 I725 C726 Q727 E777 L780 | M719-K723 WeakPolarHBondContact O-CB 3.5Å; M719-K723 PolarHBondContact O-N 3.32Å; E720-K723 WeakPolarHBondContact O-CB 3.44Å; E720-K723 PolarHBondContact O-N 3.48Å; A721-K723 VanDerWaalsContact C-N 3.28Å; A721-K723 PolarHBondContact O-N 2.91Å; K723-I725 VanDerWaalsContact C-N 3.3Å; K723-I725 PolarHBondContact O-N 3.45Å; K723-C726 WeakPolarHBondContact O-CB 3.21Å; K723-C726 PolarHBondContact O-N 3.45Å; K723-C726 VanDerWaalsContact O-N 3.11Å; K723-Q727 PolarHBondContact O-N 3.3Å; K723-E777 HydrophobicContact CD-CG 4.19Å; K723-E777 WeakPolarHBondContact CE-OE1 3.38Å; K723-E777 HydrophobicContact CG-CG 3.36Å; K723-E777 IonicContact NZ-OE1 3.25Å; K723-L780 HydrophobicContact CB-CB 4.23Å |
| 724 | T | 92.8 | Very high | 90 | Very high | 78 Ų | 78 | 69.5 Ų | 69.5 | 48% | 0.479 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.1 | -31.1 | 179.8 | 47.4 | 0 | 0 | 0 | 0 | 113 | E720 A721 Q727 S728 | E720-T724 PolarHBondContact O-N 3.47Å; E720-T724 PolarHBondContact O-OG1 2.93Å; E720-T724 VanDerWaalsContact O-OG1 3.06Å; A721-T724 WeakPolarHBondContact CA-OG1 3.35Å; A721-T724 PolarHBondContact O-N 3.18Å; A721-T724 PolarHBondContact O-OG1 2.93Å; T724-Q727 PolarHBondContact O-N 3.37Å; T724-S728 PolarHBondContact O-N 2.89Å; T724-S728 PolarHBondContact O-OG 3.15Å |
| 725 | I | 96 | Very high | 91.4 | Very high | 98 Ų | 98 | 72.1 Ų | 72.1 | 50% | 0.503 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.5 | -48.8 | 169 | -69.3 | 164.8 | 0 | 0 | 0 | 110.7 | A721 M722 K723 Q727 S728 F729 | A721-I725 VanDerWaalsContact O-CG1 3.29Å; A721-I725 WeakPolarHBondContact O-CG1 3.44Å; A721-I725 PolarHBondContact O-N 3.18Å; M722-I725 PolarHBondContact O-N 2.86Å; K723-I725 VanDerWaalsContact C-N 3.3Å; K723-I725 PolarHBondContact O-N 3.45Å; I725-Q727 VanDerWaalsContact C-N 3.32Å; I725-Q727 PolarHBondContact O-N 2.76Å; I725-S728 PolarHBondContact O-N 3.14Å; I725-S728 PolarHBondContact O-OG 3.38Å; I725-F729 WeakPolarHBondContact O-CB 3.23Å; I725-F729 PolarHBondContact O-N 3.26Å |
| 726 | C | 93.8 | Very high | 92 | Very high | 11 Ų | 11 | 72.1 Ų | 72.1 | 7% | 0.074 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60.5 | -41.2 | 177.8 | -64.7 | 0 | 0 | 0 | 0 | 112 | M722 K723 F729 R730 V773 E777 | M722-C726 PolarHBondContact O-N 3.2Å; M722-C726 PolarHBondContact O-SG 2.85Å; K723-C726 WeakPolarHBondContact O-CB 3.21Å; K723-C726 PolarHBondContact O-N 3.45Å; K723-C726 VanDerWaalsContact O-N 3.11Å; C726-F729 PolarHBondContact O-N 3.24Å; C726-R730 PolarHBondContact O-N 3.39Å; C726-V773 HydrophobicContact CB-CG1 4.22Å; C726-V773 WeakPolarHBondContact O-CG1 3.3Å; C726-E777 HydrophobicContact CB-CB 4.04Å; C726-E777 HydrophobicContact CB-CG 4.42Å |
| 727 | Q | 93.6 | Very high | 92.3 | Very high | 68 Ų | 68 | 72.6 Ų | 72.6 | 32% | 0.318 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -57.4 | -54.4 | 173 | 176.4 | 168.4 | -1.1 | 0 | 0 | 111.5 | K723 T724 I725 F729 R730 E731 E777 | K723-Q727 PolarHBondContact O-N 3.3Å; T724-Q727 PolarHBondContact O-N 3.37Å; I725-Q727 VanDerWaalsContact C-N 3.32Å; I725-Q727 PolarHBondContact O-N 2.76Å; Q727-F729 PolarHBondContact O-N 3.14Å; Q727-R730 PolarHBondContact O-N 3.12Å; Q727-R730 VanDerWaalsContact O-N 3.13Å; Q727-E731 WeakPolarHBondContact CG-OE1 3.41Å; Q727-E731 PolarHBondContact NE2-OE1 3.06Å; Q727-E731 WeakPolarHBondContact O-CG 3.43Å; Q727-E731 PolarHBondContact O-N 2.91Å; Q727-E777 WeakPolarHBondContact CA-OE2 3.46Å; Q727-E777 WeakPolarHBondContact CB-OE2 3.33Å |
| 728 | S | 94.3 | Very high | 92.5 | Very high | 64 Ų | 64 | 72.9 Ų | 72.9 | 45% | 0.448 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.7 | -30.6 | -179.3 | 70 | 0 | 0 | 0 | 0 | 113.1 | T724 I725 Y732 | T724-S728 PolarHBondContact O-N 2.89Å; T724-S728 PolarHBondContact O-OG 3.15Å; I725-S728 PolarHBondContact O-N 3.14Å; I725-S728 PolarHBondContact O-OG 3.38Å; S728-Y732 WeakPolarHBondContact O-CB 3.46Å; S728-Y732 PolarHBondContact O-N 2.99Å; S728-Y732 VanDerWaalsContact O-N 3.08Å |
| 729 | F | 95.4 | Very high | 92.7 | Very high | 90 Ų | 90 | 72.3 Ų | 72.3 | 40% | 0.395 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -71.4 | -39.2 | 175.7 | -179.2 | -121.2 | 0 | 0 | 0 | 112 | I725 C726 Q727 Y732 L733 V773 | I725-F729 WeakPolarHBondContact O-CB 3.23Å; I725-F729 PolarHBondContact O-N 3.26Å; C726-F729 PolarHBondContact O-N 3.24Å; Q727-F729 PolarHBondContact O-N 3.14Å; F729-Y732 PolarHBondContact O-N 3.04Å; F729-L733 HydrophobicContact CD1-CD1 4.16Å; F729-L733 HydrophobicContact CE1-CD1 3.72Å; F729-L733 HydrophobicContact CE1-CG 4.37Å; F729-L733 HydrophobicContact CE2-CD1 4.42Å; F729-L733 HydrophobicContact CE2-CD2 4.34Å; F729-L733 HydrophobicContact CE2-CG 4.21Å; F729-L733 HydrophobicContact CZ-CD1 3.86Å; F729-L733 HydrophobicContact CZ-CD2 4.2Å; F729-L733 HydrophobicContact CZ-CG 4.1Å; F729-L733 WeakPolarHBondContact O-CG 3.28Å; F729-L733 PolarHBondContact O-N 3.28Å; F729-V773 HydrophobicContact CD1-CB 4.49Å; F729-V773 HydrophobicContact CD1-CG1 4Å; F729-V773 HydrophobicContact CD1-CG2 3.62Å; F729-V773 HydrophobicContact CE1-CG2 3.65Å |
| 730 | R | 94.3 | Very high | 92.5 | Very high | 43 Ų | 43 | 74.3 Ų | 74.3 | 16% | 0.162 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.6 | -47.7 | 172.4 | 177.5 | -176.9 | 58.9 | -99 | -1.6 | 111.3 | C726 Q727 Y732 L733 E734 V773 E777 | C726-R730 PolarHBondContact O-N 3.39Å; Q727-R730 PolarHBondContact O-N 3.12Å; Q727-R730 VanDerWaalsContact O-N 3.13Å; R730-Y732 PolarHBondContact O-N 3.11Å; R730-L733 WeakPolarHBondContact O-CB 3.48Å; R730-L733 PolarHBondContact O-N 3.06Å; R730-E734 WeakPolarHBondContact CD-OE1 3.4Å; R730-E734 HydrophobicContact CG-CG 4.4Å; R730-E734 VanDerWaalsContact CG-OE1 3.23Å; R730-E734 WeakPolarHBondContact CG-OE1 3.48Å; R730-E734 IonicContact NE-OE1 2.87Å; R730-E734 WeakPolarHBondContact O-CG 3.44Å; R730-E734 PolarHBondContact O-N 2.64Å; R730-V773 HydrophobicContact CB-CG1 3.96Å; R730-E777 IonicContact CZ-OE2 3.52Å; R730-E777 IonicContact NH1-OE2 3.81Å; R730-E777 PolarHBondContact NH1-OE2 2.76Å; R730-E777 IonicContact NH2-OE2 2.76Å; R730-E777 PolarHBondContact NH2-OE2 3.35Å |
| 731 | E | 94 | Very high | 92.3 | Very high | 98 Ų | 98 | 75.6 Ų | 75.6 | 46% | 0.458 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -57.3 | -39.5 | 179 | -70.4 | 168 | -173.2 | 0 | 0 | 111.1 | Q727 E734 E735 | Q727-E731 WeakPolarHBondContact CG-OE1 3.41Å; Q727-E731 PolarHBondContact NE2-OE1 3.06Å; Q727-E731 WeakPolarHBondContact O-CG 3.43Å; Q727-E731 PolarHBondContact O-N 2.91Å; E731-E734 PolarHBondContact O-N 3.29Å; E731-E735 PolarHBondContact O-N 3.43Å |
| 732 | Y | 94.1 | Very high | 92.1 | Very high | 118 Ų | 118 | 75.8 Ų | 75.8 | 46% | 0.463 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -69.5 | -36.7 | 173.7 | -177 | -123.4 | 0 | 0 | 0 | 114 | S728 F729 R730 E734 E735 I736 | S728-Y732 WeakPolarHBondContact O-CB 3.46Å; S728-Y732 PolarHBondContact O-N 2.99Å; S728-Y732 VanDerWaalsContact O-N 3.08Å; F729-Y732 PolarHBondContact O-N 3.04Å; R730-Y732 PolarHBondContact O-N 3.11Å; Y732-E734 VanDerWaalsContact C-N 3.35Å; Y732-E735 PolarHBondContact O-N 3.27Å; Y732-I736 HydrophobicContact CD1-CD1 3.92Å; Y732-I736 HydrophobicContact CD2-CD1 4.4Å; Y732-I736 HydrophobicContact CE1-CD1 3.54Å; Y732-I736 HydrophobicContact CE2-CD1 4.05Å; Y732-I736 HydrophobicContact CE2-CG1 4.26Å; Y732-I736 HydrophobicContact CG-CD1 4.34Å; Y732-I736 WeakPolarHBondContact O-CG1 3.44Å; Y732-I736 PolarHBondContact O-N 3.08Å |
| 733 | L | 91.9 | Very high | 91.7 | Very high | 29 Ų | 29 | 75.8 Ų | 75.8 | 15% | 0.152 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -64.5 | -39.1 | 172.4 | -74.1 | 174.7 | 0 | 0 | 0 | 111.7 | F729 R730 I736 E737 L769 R770 V773 | F729-L733 HydrophobicContact CD1-CD1 4.16Å; F729-L733 HydrophobicContact CE1-CD1 3.72Å; F729-L733 HydrophobicContact CE1-CG 4.37Å; F729-L733 HydrophobicContact CE2-CD1 4.42Å; F729-L733 HydrophobicContact CE2-CD2 4.34Å; F729-L733 HydrophobicContact CE2-CG 4.21Å; F729-L733 HydrophobicContact CZ-CD1 3.86Å; F729-L733 HydrophobicContact CZ-CD2 4.2Å; F729-L733 HydrophobicContact CZ-CG 4.1Å; F729-L733 WeakPolarHBondContact O-CG 3.28Å; F729-L733 PolarHBondContact O-N 3.28Å; R730-L733 WeakPolarHBondContact O-CB 3.48Å; R730-L733 PolarHBondContact O-N 3.06Å; L733-I736 PolarHBondContact O-N 3.47Å; L733-E737 WeakPolarHBondContact O-CB 3.25Å; L733-E737 PolarHBondContact O-N 3.31Å; L733-L769 HydrophobicContact CD1-CD2 3.93Å; L733-L769 HydrophobicContact CD1-CG 3.99Å; L733-L769 HydrophobicContact CD2-CD2 4.12Å; L733-R770 HydrophobicContact CB-CG 4.03Å; L733-R770 HydrophobicContact CD1-CG 4.18Å; L733-V773 HydrophobicContact CD1-CG2 4.39Å |
| 734 | E | 92.3 | Very high | 91.1 | Very high | 74 Ų | 74 | 76 Ų | 76 | 35% | 0.346 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -65.9 | -40 | 176.1 | -71.1 | 174.5 | -159.1 | 0 | 0 | 111.9 | R730 E731 Y732 E737 Q738 | R730-E734 WeakPolarHBondContact CD-OE1 3.4Å; R730-E734 HydrophobicContact CG-CG 4.4Å; R730-E734 VanDerWaalsContact CG-OE1 3.23Å; R730-E734 WeakPolarHBondContact CG-OE1 3.48Å; R730-E734 IonicContact NE-OE1 2.87Å; R730-E734 WeakPolarHBondContact O-CG 3.44Å; R730-E734 PolarHBondContact O-N 2.64Å; E731-E734 PolarHBondContact O-N 3.29Å; Y732-E734 VanDerWaalsContact C-N 3.35Å; E734-E737 PolarHBondContact O-N 3.33Å; E734-Q738 VanDerWaalsContact O-CG 3.29Å; E734-Q738 WeakPolarHBondContact O-CG 3.45Å; E734-Q738 PolarHBondContact O-N 2.88Å |
| 735 | E | 94.4 | Very high | 90.6 | Very high | 130 Ų | 130 | 75.3 Ų | 75.3 | 61% | 0.607 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -61.6 | -46.6 | 172.7 | -174.3 | -176.9 | -163.3 | 0 | 0 | 111.8 | E731 Y732 E737 Q738 H739 | E731-E735 PolarHBondContact O-N 3.43Å; Y732-E735 PolarHBondContact O-N 3.27Å; E735-E737 VanDerWaalsContact C-N 3.33Å; E735-E737 PolarHBondContact O-N 2.81Å; E735-Q738 PolarHBondContact O-N 3.32Å; E735-H739 PolarHBondContact O-N 3.39Å; E735-H739 VanDerWaalsContact O-N 3.09Å |
| 736 | I | 91.5 | Very high | 90 | Very high | 63 Ų | 63 | 77.1 Ų | 77.1 | 32% | 0.323 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.1 | -43.6 | 175.7 | -71.8 | 166.8 | 0 | 0 | 0 | 110.8 | Y732 L733 H739 L740 | Y732-I736 HydrophobicContact CD1-CD1 3.92Å; Y732-I736 HydrophobicContact CD2-CD1 4.4Å; Y732-I736 HydrophobicContact CE1-CD1 3.54Å; Y732-I736 HydrophobicContact CE2-CD1 4.05Å; Y732-I736 HydrophobicContact CE2-CG1 4.26Å; Y732-I736 HydrophobicContact CG-CD1 4.34Å; Y732-I736 WeakPolarHBondContact O-CG1 3.44Å; Y732-I736 PolarHBondContact O-N 3.08Å; L733-I736 PolarHBondContact O-N 3.47Å; I736-H739 PolarHBondContact O-N 2.87Å; I736-L740 HydrophobicContact CG2-CD1 3.71Å; I736-L740 HydrophobicContact CG2-CG 4.2Å; I736-L740 WeakPolarHBondContact O-CB 3.39Å; I736-L740 WeakPolarHBondContact O-CG 3.41Å; I736-L740 PolarHBondContact O-N 2.8Å |
| 737 | E | 89.9 | Confident | 89.2 | Confident | 21 Ų | 21 | 82.6 Ų | 82.6 | 10% | 0.098 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -69.7 | -38.8 | -177.4 | -167.4 | 169.7 | 155.8 | 0 | 0 | 112.2 | L733 E734 E735 H739 L740 M741 R770 | L733-E737 WeakPolarHBondContact O-CB 3.25Å; L733-E737 PolarHBondContact O-N 3.31Å; E734-E737 PolarHBondContact O-N 3.33Å; E735-E737 VanDerWaalsContact C-N 3.33Å; E735-E737 PolarHBondContact O-N 2.81Å; E737-H739 VanDerWaalsContact C-N 3.32Å; E737-H739 PolarHBondContact O-N 3.47Å; E737-L740 PolarHBondContact O-N 3.23Å; E737-M741 WeakPolarHBondContact O-CB 3.48Å; E737-M741 PolarHBondContact O-N 3.44Å; E737-R770 VanDerWaalsContact CD-NH2 3.27Å; E737-R770 IonicContact OE1-CZ 2.75Å; E737-R770 IonicContact OE1-NH2 3.42Å; E737-R770 PolarHBondContact OE1-NH2 3.48Å; E737-R770 IonicContact OE2-CZ 3.89Å; E737-R770 VanDerWaalsContact OE2-CZ 3.26Å; E737-R770 IonicContact OE2-NE 3.47Å; E737-R770 PolarHBondContact OE2-NE 3.3Å; E737-R770 IonicContact OE2-NH2 3.82Å; E737-R770 PolarHBondContact OE2-NH2 3.47Å |
| 738 | Q | 89.6 | Confident | 88.5 | Confident | 141 Ų | 141 | 83.3 Ų | 83.3 | 66% | 0.659 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -59.6 | -42.9 | 171.1 | -73.1 | 174.2 | 36.9 | 0 | 0 | 111.6 | E734 E735 G742 | E734-Q738 VanDerWaalsContact O-CG 3.29Å; E734-Q738 WeakPolarHBondContact O-CG 3.45Å; E734-Q738 PolarHBondContact O-N 2.88Å; E735-Q738 PolarHBondContact O-N 3.32Å; Q738-G742 PolarHBondContact O-N 3.35Å |
| 739 | H | 90.9 | Very high | 87.7 | Confident | 114 Ų | 114 | 91.1 Ų | 91.1 | 53% | 0.528 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -66.7 | -44.9 | 176.6 | 176.7 | -99.2 | 0 | 0 | 0 | 112.4 | E735 I736 E737 G742 Q743 | E735-H739 PolarHBondContact O-N 3.39Å; E735-H739 VanDerWaalsContact O-N 3.09Å; I736-H739 PolarHBondContact O-N 2.87Å; E737-H739 VanDerWaalsContact C-N 3.32Å; E737-H739 PolarHBondContact O-N 3.47Å; H739-G742 PolarHBondContact O-N 3.15Å; H739-Q743 PolarHBondContact CE1-NE2 2.9Å; H739-Q743 PolarHBondContact NE2-NE2 3.12Å; H739-Q743 VanDerWaalsContact NE2-NE2 3.18Å; H739-Q743 WeakPolarHBondContact O-CG 3.42Å; H739-Q743 PolarHBondContact O-N 2.84Å |
| 740 | L | 87.3 | Confident | 87.1 | Confident | 56 Ų | 56 | 92.8 Ų | 92.8 | 29% | 0.293 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.7 | -47.1 | 176.7 | -74.5 | 172.6 | 0 | 0 | 0 | 111.8 | I736 E737 G742 Q743 Q744 | I736-L740 HydrophobicContact CG2-CD1 3.71Å; I736-L740 HydrophobicContact CG2-CG 4.2Å; I736-L740 WeakPolarHBondContact O-CB 3.39Å; I736-L740 WeakPolarHBondContact O-CG 3.41Å; I736-L740 PolarHBondContact O-N 2.8Å; E737-L740 PolarHBondContact O-N 3.23Å; L740-G742 VanDerWaalsContact C-N 3.31Å; L740-G742 PolarHBondContact O-N 3.36Å; L740-Q743 PolarHBondContact O-N 3.06Å; L740-Q744 VanDerWaalsContact O-CB 3.26Å; L740-Q744 WeakPolarHBondContact O-CB 3.4Å; L740-Q744 PolarHBondContact O-N 3.49Å |
| 741 | M | 85.8 | Confident | 86.5 | Confident | 100 Ų | 100 | 94 Ų | 94 | 49% | 0.493 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.6 | -39.3 | 177.3 | -170.6 | -176 | -62.5 | 0 | 0 | 111.2 | E737 Q744 A745 | E737-M741 WeakPolarHBondContact O-CB 3.48Å; E737-M741 PolarHBondContact O-N 3.44Å; M741-Q744 PolarHBondContact O-N 2.87Å; M741-A745 WeakPolarHBondContact O-CB 3.14Å; M741-A745 PolarHBondContact O-N 3.07Å |
| 742 | G | 84.9 | Confident | 86.2 | Confident | 39 Ų | 39 | 91.3 Ų | 91.3 | 40% | 0.402 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.1 | -42.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q738 H739 L740 L746 | Q738-G742 PolarHBondContact O-N 3.35Å; H739-G742 PolarHBondContact O-N 3.15Å; L740-G742 VanDerWaalsContact C-N 3.31Å; L740-G742 PolarHBondContact O-N 3.36Å; G742-L746 WeakPolarHBondContact O-CG 3.45Å |
| 743 | Q | 84.4 | Confident | 85.9 | Confident | 96 Ų | 96 | 92.1 Ų | 92.1 | 45% | 0.449 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -68 | -43.3 | 173.6 | -70.6 | -166.7 | -9.8 | 0 | 0 | 112 | H739 L740 A745 L746 F747 | H739-Q743 PolarHBondContact CE1-NE2 2.9Å; H739-Q743 PolarHBondContact NE2-NE2 3.12Å; H739-Q743 VanDerWaalsContact NE2-NE2 3.18Å; H739-Q743 WeakPolarHBondContact O-CG 3.42Å; H739-Q743 PolarHBondContact O-N 2.84Å; L740-Q743 PolarHBondContact O-N 3.06Å; Q743-A745 VanDerWaalsContact C-N 3.33Å; Q743-A745 PolarHBondContact O-N 3.42Å; Q743-L746 WeakPolarHBondContact O-CB 3.44Å; Q743-L746 PolarHBondContact O-N 3.11Å; Q743-L746 VanDerWaalsContact O-N 3.11Å; Q743-F747 WeakPolarHBondContact O-CD2 3.44Å; Q743-F747 PolarHBondContact O-N 3.49Å |
| 744 | Q | 82.3 | Confident | 85.7 | Confident | 66 Ų | 66 | 96.9 Ų | 96.9 | 31% | 0.308 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.7 | -35 | -178.2 | -169.2 | 148.8 | 43.6 | 0 | 0 | 112.2 | L740 M741 L746 F747 S748 | L740-Q744 VanDerWaalsContact O-CB 3.26Å; L740-Q744 WeakPolarHBondContact O-CB 3.4Å; L740-Q744 PolarHBondContact O-N 3.49Å; M741-Q744 PolarHBondContact O-N 2.87Å; Q744-L746 VanDerWaalsContact C-N 3.3Å; Q744-L746 PolarHBondContact O-N 3.14Å; Q744-F747 PolarHBondContact O-N 3.02Å; Q744-S748 WeakPolarHBondContact O-CA 3.28Å; Q744-S748 WeakPolarHBondContact O-CB 3.39Å; Q744-S748 PolarHBondContact O-N 3.28Å |
| 745 | A | 81.9 | Confident | 85.5 | Confident | 62 Ų | 62 | 97.9 Ų | 97.9 | 51% | 0.512 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.1 | -35.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | M741 Q743 S748 | M741-A745 WeakPolarHBondContact O-CB 3.14Å; M741-A745 PolarHBondContact O-N 3.07Å; Q743-A745 VanDerWaalsContact C-N 3.33Å; Q743-A745 PolarHBondContact O-N 3.42Å; A745-S748 WeakPolarHBondContact O-CB 3.41Å; A745-S748 PolarHBondContact O-OG 3.46Å |
| 746 | L | 83.1 | Confident | 85.1 | Confident | 137 Ų | 137 | 96.7 Ų | 96.7 | 72% | 0.717 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -69 | -35 | -180 | -66.9 | 169.5 | 0 | 0 | 0 | 112.9 | G742 Q743 Q744 | G742-L746 WeakPolarHBondContact O-CG 3.45Å; Q743-L746 WeakPolarHBondContact O-CB 3.44Å; Q743-L746 PolarHBondContact O-N 3.11Å; Q743-L746 VanDerWaalsContact O-N 3.11Å; Q744-L746 VanDerWaalsContact C-N 3.3Å; Q744-L746 PolarHBondContact O-N 3.14Å |
| 747 | F | 78.4 | Confident | 85 | Confident | 125 Ų | 125 | 99 Ų | 99 | 55% | 0.548 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -98.9 | -1.9 | 179.6 | -62.7 | -72.8 | 0 | 0 | 0 | 113.9 | Q743 Q744 R749 D750 M751 | Q743-F747 WeakPolarHBondContact O-CD2 3.44Å; Q743-F747 PolarHBondContact O-N 3.49Å; Q744-F747 PolarHBondContact O-N 3.02Å; F747-R749 PolarHBondContact O-N 2.89Å; F747-D750 PolarHBondContact O-N 2.88Å; F747-M751 HydrophobicContact CB-SD 4.41Å; F747-M751 WeakPolarHBondContact O-CG 3.47Å; F747-M751 PolarHBondContact O-N 3.45Å |
| 748 | S | 77.4 | Confident | 84.9 | Confident | 84 Ų | 84 | 103.9 Ų | 103.9 | 59% | 0.587 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | -17.6 | -175.4 | 60.8 | 0 | 0 | 0 | 0 | 116.8 | Q744 A745 | Q744-S748 WeakPolarHBondContact O-CA 3.28Å; Q744-S748 WeakPolarHBondContact O-CB 3.39Å; Q744-S748 PolarHBondContact O-N 3.28Å; A745-S748 WeakPolarHBondContact O-CB 3.41Å; A745-S748 PolarHBondContact O-OG 3.46Å |
| 749 | R | 77.8 | Confident | 84.8 | Confident | 228 Ų | 228 | 97.8 Ų | 97.8 | 86% | 0.86 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -23.7 | 176.5 | 178.8 | 173.2 | 177 | 174.4 | -0.1 | 114 | F747 | F747-R749 PolarHBondContact O-N 2.89Š|
| 750 | D | 82.6 | Confident | 84.7 | Confident | 125 Ų | 125 | 97 Ų | 97 | 67% | 0.668 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.2 | -7.1 | -171.3 | -56.1 | -30.9 | 0 | 0 | 0 | 112.3 | F747 | F747-D750 PolarHBondContact O-N 2.88Š|
| 751 | M | 82.2 | Confident | 84.9 | Confident | 67 Ų | 67 | 99.8 Ų | 99.8 | 33% | 0.33 | 50% | 0.497 | S | S | . | . | trans | -70.1 | 148.5 | 174.6 | -52.7 | -64.2 | -69.7 | 0 | 0 | 112.2 | F747 E755 | F747-M751 HydrophobicContact CB-SD 4.41Å; F747-M751 WeakPolarHBondContact O-CG 3.47Å; F747-M751 PolarHBondContact O-N 3.45Å; M751-E755 WeakPolarHBondContact CA-OE2 3.31Å; M751-E755 HydrophobicContact CB-CB 4.48Å; M751-E755 HydrophobicContact CE-CB 3.75Å | ||
| 752 | S | 88.6 | Confident | 85.1 | Confident | 42 Ų | 42 | 98.8 Ų | 98.8 | 29% | 0.294 | 49% | 0.494 | S | S | . | . | trans | -74.3 | 175.2 | 169.6 | 98.3 | 0 | 0 | 0 | 0 | 113.1 | E754 E755 R756 | S752-E754 WeakPolarHBondContact CB-OE2 3.37Å; S752-E754 PolarHBondContact OG-N 3.4Å; S752-E754 VanDerWaalsContact OG-N 3.14Å; S752-E754 PolarHBondContact OG-OE2 3.44Å; S752-E755 PolarHBondContact N-OE2 3.44Å; S752-E755 WeakPolarHBondContact OG-CG 3.44Å; S752-E755 PolarHBondContact OG-N 3.45Å; S752-R756 WeakPolarHBondContact O-CB 3.42Å; S752-R756 PolarHBondContact O-N 2.84Å | ||
| 753 | E | 86.7 | Confident | 85.4 | Confident | 135 Ų | 135 | 101.1 Ų | 101.1 | 63% | 0.631 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -67.3 | -43.2 | 172 | 174.3 | 131.8 | -116.6 | 0 | 0 | 111.3 | R756 E757 | E753-R756 VanDerWaalsContact CD-NH2 3.34Å; E753-R756 PolarHBondContact O-N 3.28Å; E753-R756 IonicContact OE1-CZ 3.39Å; E753-R756 IonicContact OE1-NH2 3.85Å; E753-R756 PolarHBondContact OE1-NH2 3.36Å; E753-E757 PolarHBondContact O-N 2.86Å |
| 754 | E | 88.9 | Confident | 85.8 | Confident | 129 Ų | 129 | 101.3 Ų | 101.3 | 60% | 0.603 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.9 | -46.7 | 176.1 | -53.6 | 84.6 | 171.3 | 0 | 0 | 111.7 | S752 R756 E757 E758 | S752-E754 WeakPolarHBondContact CB-OE2 3.37Å; S752-E754 PolarHBondContact OG-N 3.4Å; S752-E754 VanDerWaalsContact OG-N 3.14Å; S752-E754 PolarHBondContact OG-OE2 3.44Å; E754-R756 PolarHBondContact O-N 2.92Å; E754-E757 PolarHBondContact O-N 3.21Å; E754-E758 PolarHBondContact O-N 2.97Å |
| 755 | E | 86.1 | Confident | 86.4 | Confident | 96 Ų | 96 | 103.7 Ų | 103.7 | 45% | 0.449 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.8 | -26.7 | 178.6 | -62.6 | 176.4 | 138.4 | 0 | 0 | 112.3 | M751 S752 A759 | M751-E755 WeakPolarHBondContact CA-OE2 3.31Å; M751-E755 HydrophobicContact CB-CB 4.48Å; M751-E755 HydrophobicContact CE-CB 3.75Å; S752-E755 PolarHBondContact N-OE2 3.44Å; S752-E755 WeakPolarHBondContact OG-CG 3.44Å; S752-E755 PolarHBondContact OG-N 3.45Å; E755-A759 WeakPolarHBondContact O-CB 3.28Å; E755-A759 PolarHBondContact O-N 3.06Å; E755-A759 VanDerWaalsContact O-N 3.07Å |
| 756 | R | 87.3 | Confident | 86.8 | Confident | 105 Ų | 105 | 104 Ų | 104 | 40% | 0.396 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -74.5 | -39.7 | 170.7 | 173.5 | 176.2 | 47.9 | 67.3 | 1.7 | 111.9 | S752 E753 E754 A759 E760 | S752-R756 WeakPolarHBondContact O-CB 3.42Å; S752-R756 PolarHBondContact O-N 2.84Å; E753-R756 VanDerWaalsContact CD-NH2 3.34Å; E753-R756 PolarHBondContact O-N 3.28Å; E753-R756 IonicContact OE1-CZ 3.39Å; E753-R756 IonicContact OE1-NH2 3.85Å; E753-R756 PolarHBondContact OE1-NH2 3.36Å; E754-R756 PolarHBondContact O-N 2.92Å; R756-A759 WeakPolarHBondContact O-CB 3.49Å; R756-A759 PolarHBondContact O-N 3.41Å; R756-E760 VanDerWaalsContact CG-OE1 3.3Å; R756-E760 WeakPolarHBondContact CG-OE1 3.32Å; R756-E760 IonicContact NH1-OE1 3.99Å; R756-E760 WeakPolarHBondContact O-CG 3.14Å; R756-E760 PolarHBondContact O-N 3.06Å |
| 757 | E | 88.8 | Confident | 87.3 | Confident | 111 Ų | 111 | 101.7 Ų | 101.7 | 52% | 0.519 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.2 | -43.4 | 174.6 | -162.1 | -174.6 | 147.9 | 0 | 0 | 111.1 | E753 E754 A759 E760 Q761 | E753-E757 PolarHBondContact O-N 2.86Å; E754-E757 PolarHBondContact O-N 3.21Å; E757-A759 VanDerWaalsContact C-N 3.26Å; E757-A759 PolarHBondContact O-N 3.01Å; E757-E760 PolarHBondContact O-N 3.1Å; E757-Q761 WeakPolarHBondContact O-CG 3.38Å; E757-Q761 PolarHBondContact O-N 3.36Å; E757-Q761 PolarHBondContact OE1-NE2 3.48Å; E757-Q761 VanDerWaalsContact OE1-NE2 3.15Å |
| 758 | E | 88.4 | Confident | 88.1 | Confident | 124 Ų | 124 | 97.8 Ų | 97.8 | 58% | 0.579 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -59.2 | -37.4 | 172.1 | -71.4 | -168.6 | 178.2 | 0 | 0 | 112 | E754 Q761 L762 | E754-E758 PolarHBondContact O-N 2.97Å; E758-Q761 PolarHBondContact O-N 3.02Å; E758-L762 VanDerWaalsContact O-CB 3.31Å; E758-L762 WeakPolarHBondContact O-CB 3.29Å; E758-L762 VanDerWaalsContact O-CG 3.24Å; E758-L762 WeakPolarHBondContact O-CG 3.37Å; E758-L762 PolarHBondContact O-N 3Å |
| 759 | A | 87 | Confident | 88.9 | Confident | 13 Ų | 13 | 97.2 Ų | 97.2 | 11% | 0.107 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -63.2 | -45.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | E755 R756 E757 L762 Q763 | E755-A759 WeakPolarHBondContact O-CB 3.28Å; E755-A759 PolarHBondContact O-N 3.06Å; E755-A759 VanDerWaalsContact O-N 3.07Å; R756-A759 WeakPolarHBondContact O-CB 3.49Å; R756-A759 PolarHBondContact O-N 3.41Å; E757-A759 VanDerWaalsContact C-N 3.26Å; E757-A759 PolarHBondContact O-N 3.01Å; A759-L762 PolarHBondContact O-N 3.18Å; A759-Q763 WeakPolarHBondContact O-CB 3.26Å; A759-Q763 PolarHBondContact O-N 3.18Å |
| 760 | E | 88.9 | Confident | 89.7 | Confident | 98 Ų | 98 | 87.8 Ų | 87.8 | 46% | 0.458 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64.9 | -39.2 | 177.6 | -70.3 | 172.8 | -143.4 | 0 | 0 | 111.2 | R756 E757 Q763 T764 | R756-E760 VanDerWaalsContact CG-OE1 3.3Å; R756-E760 WeakPolarHBondContact CG-OE1 3.32Å; R756-E760 IonicContact NH1-OE1 3.99Å; R756-E760 WeakPolarHBondContact O-CG 3.14Å; R756-E760 PolarHBondContact O-N 3.06Å; E757-E760 PolarHBondContact O-N 3.1Å; E760-Q763 PolarHBondContact O-N 2.92Å; E760-T764 WeakPolarHBondContact O-CB 3.21Å; E760-T764 PolarHBondContact O-N 3.22Å; E760-T764 PolarHBondContact O-OG1 2.92Å |
| 761 | Q | 91.4 | Very high | 90.2 | Very high | 113 Ų | 113 | 87.3 Ų | 87.3 | 53% | 0.528 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -64.6 | -44.4 | 172.6 | -68 | 178.9 | 27.3 | 0 | 0 | 112 | E757 E758 T764 L765 | E757-Q761 WeakPolarHBondContact O-CG 3.38Å; E757-Q761 PolarHBondContact O-N 3.36Å; E757-Q761 PolarHBondContact OE1-NE2 3.48Å; E757-Q761 VanDerWaalsContact OE1-NE2 3.15Å; E758-Q761 PolarHBondContact O-N 3.02Å; Q761-T764 WeakPolarHBondContact O-CB 3.46Å; Q761-T764 PolarHBondContact O-N 2.77Å; Q761-L765 PolarHBondContact O-N 2.95Å |
| 762 | L | 90.8 | Very high | 90.9 | Very high | 80 Ų | 80 | 90.6 Ų | 90.6 | 42% | 0.419 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -66.4 | -35.4 | 176.5 | -76.2 | 170.1 | 0 | 0 | 0 | 112.7 | E758 A759 L765 R766 | E758-L762 VanDerWaalsContact O-CB 3.31Å; E758-L762 WeakPolarHBondContact O-CB 3.29Å; E758-L762 VanDerWaalsContact O-CG 3.24Å; E758-L762 WeakPolarHBondContact O-CG 3.37Å; E758-L762 PolarHBondContact O-N 3Å; A759-L762 PolarHBondContact O-N 3.18Å; L762-L765 PolarHBondContact O-N 3.47Å; L762-R766 WeakPolarHBondContact O-CD 3.43Å; L762-R766 VanDerWaalsContact O-CG 3.25Å; L762-R766 WeakPolarHBondContact O-CG 3.31Å; L762-R766 PolarHBondContact O-N 3.13Å; L762-R766 VanDerWaalsContact O-N 3.11Å |
| 763 | Q | 89.6 | Confident | 91.2 | Very high | 88 Ų | 88 | 89.1 Ų | 89.1 | 41% | 0.411 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65 | -46.1 | 172.2 | -174.6 | 176.2 | 2.1 | 0 | 0 | 110.6 | A759 E760 L765 R766 E767 | A759-Q763 WeakPolarHBondContact O-CB 3.26Å; A759-Q763 PolarHBondContact O-N 3.18Å; E760-Q763 PolarHBondContact O-N 2.92Å; Q763-L765 VanDerWaalsContact C-N 3.27Å; Q763-L765 PolarHBondContact O-N 3.34Å; Q763-R766 PolarHBondContact O-N 2.99Å; Q763-R766 VanDerWaalsContact O-N 3.11Å; Q763-E767 PolarHBondContact O-N 3.17Å |
| 764 | T | 93.9 | Very high | 91.6 | Very high | 99 Ų | 99 | 84.1 Ų | 84.1 | 61% | 0.607 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -58.2 | -38.8 | 176.3 | -57.2 | 0 | 0 | 0 | 0 | 111.9 | E760 Q761 A768 | E760-T764 WeakPolarHBondContact O-CB 3.21Å; E760-T764 PolarHBondContact O-N 3.22Å; E760-T764 PolarHBondContact O-OG1 2.92Å; Q761-T764 WeakPolarHBondContact O-CB 3.46Å; Q761-T764 PolarHBondContact O-N 2.77Å; T764-A768 WeakPolarHBondContact O-CB 3.48Å; T764-A768 PolarHBondContact O-N 3.15Å |
| 765 | L | 93.9 | Very high | 91.9 | Very high | 116 Ų | 116 | 82 Ų | 82 | 61% | 0.607 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -68.3 | -37.3 | 176 | -176.9 | 61.1 | 0 | 0 | 0 | 113 | Q761 L762 Q763 L769 | Q761-L765 PolarHBondContact O-N 2.95Å; L762-L765 PolarHBondContact O-N 3.47Å; Q763-L765 VanDerWaalsContact C-N 3.27Å; Q763-L765 PolarHBondContact O-N 3.34Å; L765-L769 PolarHBondContact O-N 2.94Å |
| 766 | R | 91.3 | Very high | 92.4 | Very high | 70 Ų | 70 | 81.4 Ų | 81.4 | 26% | 0.264 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -68.9 | -41.9 | 176.5 | -69.2 | 163.3 | -168.3 | 144.8 | 3.8 | 111.8 | L762 Q763 L769 R770 | L762-R766 WeakPolarHBondContact O-CD 3.43Å; L762-R766 VanDerWaalsContact O-CG 3.25Å; L762-R766 WeakPolarHBondContact O-CG 3.31Å; L762-R766 PolarHBondContact O-N 3.13Å; L762-R766 VanDerWaalsContact O-N 3.11Å; Q763-R766 PolarHBondContact O-N 2.99Å; Q763-R766 VanDerWaalsContact O-N 3.11Å; R766-L769 WeakPolarHBondContact O-CB 3.37Å; R766-L769 PolarHBondContact O-N 3.3Å; R766-R770 PolarHBondContact O-N 3.23Å |
| 767 | E | 92.8 | Very high | 92.8 | Very high | 88 Ų | 88 | 77.6 Ų | 77.6 | 41% | 0.411 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -58.7 | -49 | 172.1 | -172.8 | 63.4 | -111.6 | 0 | 0 | 111 | Q763 L769 R770 Q771 | Q763-E767 PolarHBondContact O-N 3.17Å; E767-L769 VanDerWaalsContact C-N 3.27Å; E767-L769 PolarHBondContact O-N 3.21Å; E767-R770 VanDerWaalsContact CD-NH2 3.32Å; E767-R770 PolarHBondContact O-N 3.32Å; E767-R770 IonicContact OE1-CZ 3.18Å; E767-R770 IonicContact OE1-NH1 3.89Å; E767-R770 PolarHBondContact OE1-NH1 3.43Å; E767-R770 IonicContact OE1-NH2 2.78Å; E767-R770 IonicContact OE2-CZ 2.78Å; E767-R770 IonicContact OE2-NH1 3.57Å; E767-R770 PolarHBondContact OE2-NH1 3.11Å; E767-R770 IonicContact OE2-NH2 2.69Å; E767-R770 PolarHBondContact OE2-NH2 3.5Å; E767-Q771 WeakPolarHBondContact O-CB 3.26Å; E767-Q771 PolarHBondContact O-N 3.05Å |
| 768 | A | 95.6 | Very high | 93 | Very high | 42 Ų | 42 | 78.7 Ų | 78.7 | 35% | 0.347 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.8 | -33.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | T764 Q772 | T764-A768 WeakPolarHBondContact O-CB 3.48Å; T764-A768 PolarHBondContact O-N 3.15Å; A768-Q772 WeakPolarHBondContact O-CG 3.45Å; A768-Q772 PolarHBondContact O-N 3.49Å; A768-Q772 VanDerWaalsContact O-N 3.16Å; A768-Q772 PolarHBondContact O-NE2 3.22Å |
| 769 | L | 95 | Very high | 93.4 | Very high | 72 Ų | 72 | 77.7 Ų | 77.7 | 38% | 0.377 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -68.8 | -48.3 | 173.5 | 179.5 | 63.5 | 0 | 0 | 0 | 111.6 | L733 L765 R766 E767 Q771 Q772 V773 | L733-L769 HydrophobicContact CD1-CD2 3.93Å; L733-L769 HydrophobicContact CD1-CG 3.99Å; L733-L769 HydrophobicContact CD2-CD2 4.12Å; L765-L769 PolarHBondContact O-N 2.94Å; R766-L769 WeakPolarHBondContact O-CB 3.37Å; R766-L769 PolarHBondContact O-N 3.3Å; E767-L769 VanDerWaalsContact C-N 3.27Å; E767-L769 PolarHBondContact O-N 3.21Å; L769-Q771 VanDerWaalsContact C-N 3.29Å; L769-Q771 PolarHBondContact O-N 3.42Å; L769-Q772 PolarHBondContact O-N 3.22Å; L769-V773 WeakPolarHBondContact O-CG2 3.26Å; L769-V773 PolarHBondContact O-N 3.32Å |
| 770 | R | 92.9 | Very high | 93.7 | Very high | 31 Ų | 31 | 78.3 Ų | 78.3 | 12% | 0.117 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -58.5 | -41.2 | 176.1 | -79.6 | -169.6 | -75 | 89.3 | 0.6 | 111.6 | L733 E737 R766 E767 Q772 V773 A774 | L733-R770 HydrophobicContact CB-CG 4.03Å; L733-R770 HydrophobicContact CD1-CG 4.18Å; E737-R770 VanDerWaalsContact CD-NH2 3.27Å; E737-R770 IonicContact OE1-CZ 2.75Å; E737-R770 IonicContact OE1-NH2 3.42Å; E737-R770 PolarHBondContact OE1-NH2 3.48Å; E737-R770 IonicContact OE2-CZ 3.89Å; E737-R770 VanDerWaalsContact OE2-CZ 3.26Å; E737-R770 IonicContact OE2-NE 3.47Å; E737-R770 PolarHBondContact OE2-NE 3.3Å; E737-R770 IonicContact OE2-NH2 3.82Å; E737-R770 PolarHBondContact OE2-NH2 3.47Å; R766-R770 PolarHBondContact O-N 3.23Å; E767-R770 VanDerWaalsContact CD-NH2 3.32Å; E767-R770 PolarHBondContact O-N 3.32Å; E767-R770 IonicContact OE1-CZ 3.18Å; E767-R770 IonicContact OE1-NH1 3.89Å; E767-R770 PolarHBondContact OE1-NH1 3.43Å; E767-R770 IonicContact OE1-NH2 2.78Å; E767-R770 IonicContact OE2-CZ 2.78Å; E767-R770 IonicContact OE2-NH1 3.57Å; E767-R770 PolarHBondContact OE2-NH1 3.11Å; E767-R770 IonicContact OE2-NH2 2.69Å; E767-R770 PolarHBondContact OE2-NH2 3.5Å; R770-Q772 PolarHBondContact O-N 3.14Å; R770-V773 PolarHBondContact O-N 3.49Å; R770-A774 WeakPolarHBondContact O-CB 3.25Å; R770-A774 PolarHBondContact O-N 3.26Å |
| 771 | Q | 94.9 | Very high | 93.8 | Very high | 114 Ų | 114 | 74.2 Ų | 74.2 | 53% | 0.533 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.7 | -39.1 | 176.6 | -173.7 | 59.4 | 43.1 | 0 | 0 | 112.6 | E767 L769 A774 E775 | E767-Q771 WeakPolarHBondContact O-CB 3.26Å; E767-Q771 PolarHBondContact O-N 3.05Å; L769-Q771 VanDerWaalsContact C-N 3.29Å; L769-Q771 PolarHBondContact O-N 3.42Å; Q771-A774 PolarHBondContact O-N 3.25Å; Q771-E775 WeakPolarHBondContact O-CB 3.37Å; Q771-E775 PolarHBondContact O-N 3.35Å |
| 772 | Q | 96.6 | Very high | 93.9 | Very high | 136 Ų | 136 | 72.8 Ų | 72.8 | 64% | 0.636 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -65.8 | -37.5 | 174.4 | -75.4 | 174.3 | 49.7 | 0 | 0 | 112.5 | A768 L769 R770 L776 | A768-Q772 WeakPolarHBondContact O-CG 3.45Å; A768-Q772 PolarHBondContact O-N 3.49Å; A768-Q772 VanDerWaalsContact O-N 3.16Å; A768-Q772 PolarHBondContact O-NE2 3.22Å; L769-Q772 PolarHBondContact O-N 3.22Å; R770-Q772 PolarHBondContact O-N 3.14Å; Q772-L776 WeakPolarHBondContact O-CB 3.35Å; Q772-L776 PolarHBondContact O-N 2.72Å |
| 773 | V | 95.3 | Very high | 93.9 | Very high | 11 Ų | 11 | 75.6 Ų | 75.6 | 7% | 0.067 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -69.1 | -38.8 | 175.9 | 177.8 | 0 | 0 | 0 | 0 | 111.3 | C726 F729 R730 L733 L769 R770 L776 E777 | C726-V773 HydrophobicContact CB-CG1 4.22Å; C726-V773 WeakPolarHBondContact O-CG1 3.3Å; F729-V773 HydrophobicContact CD1-CB 4.49Å; F729-V773 HydrophobicContact CD1-CG1 4Å; F729-V773 HydrophobicContact CD1-CG2 3.62Å; F729-V773 HydrophobicContact CE1-CG2 3.65Å; R730-V773 HydrophobicContact CB-CG1 3.96Å; L733-V773 HydrophobicContact CD1-CG2 4.39Å; L769-V773 WeakPolarHBondContact O-CG2 3.26Å; L769-V773 PolarHBondContact O-N 3.32Å; R770-V773 PolarHBondContact O-N 3.49Å; V773-L776 PolarHBondContact O-N 3.18Å; V773-E777 PolarHBondContact O-N 2.94Å |
| 774 | A | 93.3 | Very high | 93.9 | Very high | 31 Ų | 31 | 71.4 Ų | 71.4 | 26% | 0.256 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66 | -42.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | R770 Q771 E777 F778 | R770-A774 WeakPolarHBondContact O-CB 3.25Å; R770-A774 PolarHBondContact O-N 3.26Å; Q771-A774 PolarHBondContact O-N 3.25Å; A774-E777 PolarHBondContact O-N 3.22Å; A774-F778 WeakPolarHBondContact O-CB 3.49Å; A774-F778 PolarHBondContact O-N 3.01Å |
| 775 | E | 96.2 | Very high | 93.7 | Very high | 85 Ų | 85 | 71.2 Ų | 71.2 | 40% | 0.397 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62 | -43 | 173.8 | 179.9 | 61 | -151.6 | 0 | 0 | 111.5 | Q771 F778 Q779 | Q771-E775 WeakPolarHBondContact O-CB 3.37Å; Q771-E775 PolarHBondContact O-N 3.35Å; E775-F778 PolarHBondContact O-N 3.2Å; E775-Q779 WeakPolarHBondContact O-CG 3.39Å; E775-Q779 PolarHBondContact O-N 2.96Å; E775-Q779 PolarHBondContact OE1-NE2 3.36Å |
| 776 | L | 95.6 | Very high | 93.5 | Very high | 83 Ų | 83 | 71.6 Ų | 71.6 | 44% | 0.435 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.2 | -41.8 | 176 | -178.8 | 60.1 | 0 | 0 | 0 | 112 | Q772 V773 F778 Q779 L780 | Q772-L776 WeakPolarHBondContact O-CB 3.35Å; Q772-L776 PolarHBondContact O-N 2.72Å; V773-L776 PolarHBondContact O-N 3.18Å; L776-F778 VanDerWaalsContact C-N 3.34Å; L776-F778 PolarHBondContact O-N 3.19Å; L776-Q779 PolarHBondContact O-N 3.1Å; L776-L780 HydrophobicContact CD1-CD1 4.1Å; L776-L780 HydrophobicContact CD1-CG 4.24Å; L776-L780 HydrophobicContact CG-CD1 3.95Å; L776-L780 WeakPolarHBondContact O-CB 3.22Å; L776-L780 WeakPolarHBondContact O-CD1 3.35Å; L776-L780 WeakPolarHBondContact O-CG 3.49Å; L776-L780 PolarHBondContact O-N 3.23Å |
| 777 | E | 95.6 | Very high | 93.2 | Very high | 25 Ų | 25 | 70 Ų | 70 | 12% | 0.117 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.5 | -45.5 | 173.4 | -168.2 | -160.7 | 129.5 | 0 | 0 | 111.3 | K723 C726 Q727 R730 V773 A774 L780 G781 | K723-E777 HydrophobicContact CD-CG 4.19Å; K723-E777 WeakPolarHBondContact CE-OE1 3.38Å; K723-E777 HydrophobicContact CG-CG 3.36Å; K723-E777 IonicContact NZ-OE1 3.25Å; C726-E777 HydrophobicContact CB-CB 4.04Å; C726-E777 HydrophobicContact CB-CG 4.42Å; Q727-E777 WeakPolarHBondContact CA-OE2 3.46Å; Q727-E777 WeakPolarHBondContact CB-OE2 3.33Å; R730-E777 IonicContact CZ-OE2 3.52Å; R730-E777 IonicContact NH1-OE2 3.81Å; R730-E777 PolarHBondContact NH1-OE2 2.76Å; R730-E777 IonicContact NH2-OE2 2.76Å; R730-E777 PolarHBondContact NH2-OE2 3.35Å; V773-E777 PolarHBondContact O-N 2.94Å; A774-E777 PolarHBondContact O-N 3.22Å; E777-L780 PolarHBondContact O-N 3.1Å; E777-G781 PolarHBondContact O-N 3.26Å |
| 778 | F | 94.5 | Very high | 92.8 | Very high | 134 Ų | 134 | 69.5 Ų | 69.5 | 59% | 0.588 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -61.2 | -49.4 | 178.5 | 179.2 | -99.8 | 0 | 0 | 0 | 111.5 | A774 E775 L776 L780 G781 D782 | A774-F778 WeakPolarHBondContact O-CB 3.49Å; A774-F778 PolarHBondContact O-N 3.01Å; E775-F778 PolarHBondContact O-N 3.2Å; L776-F778 VanDerWaalsContact C-N 3.34Å; L776-F778 PolarHBondContact O-N 3.19Å; F778-L780 VanDerWaalsContact C-N 3.33Å; F778-L780 PolarHBondContact O-N 3.39Å; F778-G781 PolarHBondContact O-N 3.44Å; F778-D782 HydrophobicContact CE1-CB 4.49Å; F778-D782 WeakPolarHBondContact O-CB 3.49Å; F778-D782 PolarHBondContact O-N 3.01Å |
| 779 | Q | 95.3 | Very high | 92.3 | Very high | 103 Ų | 103 | 72 Ų | 72 | 48% | 0.481 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62 | -37.6 | 178.1 | -71.3 | -179.7 | 18.3 | 0 | 0 | 112.9 | E775 L776 R783 | E775-Q779 WeakPolarHBondContact O-CG 3.39Å; E775-Q779 PolarHBondContact O-N 2.96Å; E775-Q779 PolarHBondContact OE1-NE2 3.36Å; L776-Q779 PolarHBondContact O-N 3.1Å; Q779-R783 WeakPolarHBondContact O-CB 3.37Å; Q779-R783 PolarHBondContact O-N 3.35Å |
| 780 | L | 93.3 | Very high | 91.8 | Very high | 26 Ų | 26 | 70.1 Ų | 70.1 | 14% | 0.136 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66.6 | -42.2 | 174.8 | -73.2 | 165.8 | 0 | 0 | 0 | 111.5 | M722 K723 L776 E777 F778 A784 | M722-L780 HydrophobicContact CB-CD1 3.88Å; M722-L780 HydrophobicContact CB-CD2 4.15Å; M722-L780 HydrophobicContact CG-CD1 3.53Å; M722-L780 HydrophobicContact CG-CD2 4.1Å; M722-L780 HydrophobicContact CG-CG 4.49Å; K723-L780 HydrophobicContact CB-CB 4.23Å; L776-L780 HydrophobicContact CD1-CD1 4.1Å; L776-L780 HydrophobicContact CD1-CG 4.24Å; L776-L780 HydrophobicContact CG-CD1 3.95Å; L776-L780 WeakPolarHBondContact O-CB 3.22Å; L776-L780 WeakPolarHBondContact O-CD1 3.35Å; L776-L780 WeakPolarHBondContact O-CG 3.49Å; L776-L780 PolarHBondContact O-N 3.23Å; E777-L780 PolarHBondContact O-N 3.1Å; F778-L780 VanDerWaalsContact C-N 3.33Å; F778-L780 PolarHBondContact O-N 3.39Å; L780-A784 WeakPolarHBondContact O-CB 3.16Å; L780-A784 PolarHBondContact O-N 2.89Å |
| 781 | G | 92.1 | Very high | 91 | Very high | 12 Ų | 12 | 70.4 Ų | 70.4 | 12% | 0.124 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65.9 | -51 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | E777 F778 A784 Q785 | E777-G781 PolarHBondContact O-N 3.26Å; F778-G781 PolarHBondContact O-N 3.44Å; G781-A784 PolarHBondContact O-N 2.97Å; G781-Q785 WeakPolarHBondContact O-CB 3.35Å; G781-Q785 PolarHBondContact O-N 3.38Å |
| 782 | D | 93.5 | Very high | 90.1 | Very high | 82 Ų | 82 | 70.4 Ų | 70.4 | 44% | 0.439 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60 | -50.1 | 178.4 | 176.6 | 75.7 | 0 | 0 | 0 | 111.2 | F778 A784 Q785 Q786 | F778-D782 HydrophobicContact CE1-CB 4.49Å; F778-D782 WeakPolarHBondContact O-CB 3.49Å; F778-D782 PolarHBondContact O-N 3.01Å; D782-A784 VanDerWaalsContact C-N 3.31Å; D782-A784 PolarHBondContact O-N 3.1Å; D782-Q785 CarbonylContact O-C 3.59Å; D782-Q785 WeakPolarHBondContact O-CB 3.24Å; D782-Q785 PolarHBondContact O-N 2.86Å; D782-Q785 VanDerWaalsContact O-N 3.12Å; D782-Q786 WeakPolarHBondContact O-CB 3.49Å; D782-Q786 PolarHBondContact O-N 3.3Å |
| 783 | R | 91.5 | Very high | 89.3 | Confident | 139 Ų | 139 | 68.7 Ų | 68.7 | 53% | 0.525 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -67.3 | -31.3 | 179.6 | -168.8 | -172.6 | 174.6 | -100.4 | 1.1 | 112.1 | M719 Q779 I787 | M719-R783 HydrophobicContact CE-CB 3.54Å; M719-R783 HydrophobicContact CE-CG 3.66Å; M719-R783 PolarHBondContact SD-NH1 3.4Å; Q779-R783 WeakPolarHBondContact O-CB 3.37Å; Q779-R783 PolarHBondContact O-N 3.35Å; R783-I787 HydrophobicContact CG-CD1 4.43Å; R783-I787 WeakPolarHBondContact O-CD1 3.4Å; R783-I787 VanDerWaalsContact O-CG1 3.24Å; R783-I787 WeakPolarHBondContact O-CG1 3.33Å; R783-I787 PolarHBondContact O-N 3.23Å; R783-I787 VanDerWaalsContact O-N 3.09Å |
| 784 | A | 89.6 | Confident | 88.1 | Confident | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -67.6 | -40.6 | 172 | 0 | 0 | 0 | 0 | 0 | 111.4 | V716 M719 L780 G781 D782 I787 R788 | V716-A784 HydrophobicContact CG1-CB 4.36Å; M719-A784 HydrophobicContact CB-CB 4.07Å; M719-A784 HydrophobicContact CE-CB 4.08Å; M719-A784 VanDerWaalsContact CE-N 3.31Å; L780-A784 WeakPolarHBondContact O-CB 3.16Å; L780-A784 PolarHBondContact O-N 2.89Å; G781-A784 PolarHBondContact O-N 2.97Å; D782-A784 VanDerWaalsContact C-N 3.31Å; D782-A784 PolarHBondContact O-N 3.1Å; A784-I787 PolarHBondContact O-N 3.13Å; A784-R788 WeakPolarHBondContact O-CG 3.47Å; A784-R788 PolarHBondContact O-N 3Å; A784-R788 VanDerWaalsContact O-N 3.08Å |
| 785 | Q | 89.1 | Confident | 86.9 | Confident | 95 Ų | 95 | 74.9 Ų | 74.9 | 44% | 0.444 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.4 | -45.8 | 173.5 | 179.8 | 168.6 | -17.1 | 0 | 0 | 112 | G781 D782 I787 R788 E789 | G781-Q785 WeakPolarHBondContact O-CB 3.35Å; G781-Q785 PolarHBondContact O-N 3.38Å; D782-Q785 CarbonylContact O-C 3.59Å; D782-Q785 WeakPolarHBondContact O-CB 3.24Å; D782-Q785 PolarHBondContact O-N 2.86Å; D782-Q785 VanDerWaalsContact O-N 3.12Å; Q785-I787 VanDerWaalsContact C-N 3.28Å; Q785-I787 PolarHBondContact O-N 3.13Å; Q785-R788 WeakPolarHBondContact O-CB 3.3Å; Q785-R788 PolarHBondContact O-N 3.32Å; Q785-R788 VanDerWaalsContact O-N 3.11Å; Q785-E789 HydrophobicContact CG-CG 4.29Å; Q785-E789 WeakPolarHBondContact CG-OE1 3.22Å; Q785-E789 PolarHBondContact NE2-OE1 2.87Å; Q785-E789 WeakPolarHBondContact O-CG 3.45Å; Q785-E789 PolarHBondContact O-N 3.43Å |
| 786 | Q | 89.5 | Confident | 85.7 | Confident | 125 Ų | 125 | 77 Ų | 77 | 58% | 0.584 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -57.8 | -39.2 | 175.9 | -174.1 | -177.1 | 65.4 | 0 | 0 | 112.2 | D782 G790 | D782-Q786 WeakPolarHBondContact O-CB 3.49Å; D782-Q786 PolarHBondContact O-N 3.3Å; Q786-G790 PolarHBondContact O-N 3.08Å |
| 787 | I | 85.2 | Confident | 84.4 | Confident | 37 Ų | 37 | 78.6 Ų | 78.6 | 19% | 0.19 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -67.2 | -44.8 | 175.3 | -69.4 | 165 | 0 | 0 | 0 | 110.7 | T715 V716 M719 R783 A784 Q785 I791 | T715-I787 HydrophobicContact CG2-CD1 4.44Å; V716-I787 HydrophobicContact CG2-CB 4.2Å; V716-I787 HydrophobicContact CG2-CG2 3.61Å; M719-I787 HydrophobicContact CE-CD1 4.27Å; M719-I787 HydrophobicContact SD-CD1 3.73Å; R783-I787 HydrophobicContact CG-CD1 4.43Å; R783-I787 WeakPolarHBondContact O-CD1 3.4Å; R783-I787 VanDerWaalsContact O-CG1 3.24Å; R783-I787 WeakPolarHBondContact O-CG1 3.33Å; R783-I787 PolarHBondContact O-N 3.23Å; R783-I787 VanDerWaalsContact O-N 3.09Å; A784-I787 PolarHBondContact O-N 3.13Å; Q785-I787 VanDerWaalsContact C-N 3.28Å; Q785-I787 PolarHBondContact O-N 3.13Å; I787-I791 HydrophobicContact CG2-CD1 3.74Å; I787-I791 WeakPolarHBondContact O-CD1 3.39Å; I787-I791 VanDerWaalsContact O-CG1 3.26Å; I787-I791 WeakPolarHBondContact O-CG1 3.28Å; I787-I791 PolarHBondContact O-N 3.38Å; I787-I791 VanDerWaalsContact O-N 3.11Å |
| 788 | R | 83.9 | Confident | 82.6 | Confident | 76 Ų | 76 | 81.9 Ų | 81.9 | 29% | 0.287 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -58.2 | -50.8 | 175 | -73.4 | -178.4 | -79.6 | -119.4 | 5.6 | 112.2 | V716 E720 A784 Q785 I791 L792 | V716-R788 HydrophobicContact CB-CG 4.48Å; V716-R788 HydrophobicContact CG1-CG 3.7Å; V716-R788 VanDerWaalsContact CG1-NH1 3.3Å; V716-R788 HydrophobicContact CG2-CG 3.96Å; E720-R788 IonicContact OE1-CZ 3.33Å; E720-R788 IonicContact OE1-NH1 2.86Å; E720-R788 PolarHBondContact OE1-NH1 3.41Å; E720-R788 IonicContact OE1-NH2 2.94Å; E720-R788 PolarHBondContact OE1-NH2 3.41Å; E720-R788 IonicContact OE2-CZ 3.42Å; E720-R788 IonicContact OE2-NH1 2.74Å; E720-R788 PolarHBondContact OE2-NH1 3.49Å; A784-R788 WeakPolarHBondContact O-CG 3.47Å; A784-R788 PolarHBondContact O-N 3Å; A784-R788 VanDerWaalsContact O-N 3.08Å; Q785-R788 WeakPolarHBondContact O-CB 3.3Å; Q785-R788 PolarHBondContact O-N 3.32Å; Q785-R788 VanDerWaalsContact O-N 3.11Å; R788-I791 PolarHBondContact O-N 2.91Å; R788-L792 WeakPolarHBondContact O-CB 3.46Å; R788-L792 WeakPolarHBondContact O-CG 3.41Å; R788-L792 PolarHBondContact O-N 2.73Å |
| 789 | E | 85.3 | Confident | 80.6 | Confident | 94 Ų | 94 | 78.2 Ų | 78.2 | 44% | 0.439 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -66.9 | -42.8 | -178 | -70.4 | 177.9 | -170.3 | 0 | 0 | 111.8 | Q785 I791 L792 L793 | Q785-E789 HydrophobicContact CG-CG 4.29Å; Q785-E789 WeakPolarHBondContact CG-OE1 3.22Å; Q785-E789 PolarHBondContact NE2-OE1 2.87Å; Q785-E789 WeakPolarHBondContact O-CG 3.45Å; Q785-E789 PolarHBondContact O-N 3.43Å; E789-I791 VanDerWaalsContact C-N 3.29Å; E789-I791 PolarHBondContact O-N 3.18Å; E789-L792 PolarHBondContact O-N 2.74Å; E789-L793 WeakPolarHBondContact O-CG 3.39Å; E789-L793 PolarHBondContact O-N 2.89Å |
| 790 | G | 83.7 | Confident | 78.3 | Confident | 34 Ų | 34 | 76.6 Ų | 76.6 | 35% | 0.351 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.3 | -35.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q786 Q794 | Q786-G790 PolarHBondContact O-N 3.08Å; G790-Q794 PolarHBondContact O-N 3.33Å; G790-Q794 VanDerWaalsContact O-N 3.15Å |
| 791 | I | 76.3 | Confident | 76.2 | Confident | 36 Ų | 36 | 83.7 Ų | 83.7 | 19% | 0.185 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -81.5 | -33.9 | 177.8 | -59.5 | 166.8 | 0 | 0 | 0 | 111.6 | V708 C712 I787 R788 E789 L793 Q794 L795 | V708-I791 HydrophobicContact CG1-CG2 3.5Å; C712-I791 VanDerWaalsContact SG-CD1 3.52Å; C712-I791 WeakPolarHBondContact SG-CG2 3.34Å; I787-I791 HydrophobicContact CG2-CD1 3.74Å; I787-I791 WeakPolarHBondContact O-CD1 3.39Å; I787-I791 VanDerWaalsContact O-CG1 3.26Å; I787-I791 WeakPolarHBondContact O-CG1 3.28Å; I787-I791 PolarHBondContact O-N 3.38Å; I787-I791 VanDerWaalsContact O-N 3.11Å; R788-I791 PolarHBondContact O-N 2.91Å; E789-I791 VanDerWaalsContact C-N 3.29Å; E789-I791 PolarHBondContact O-N 3.18Å; I791-L793 VanDerWaalsContact C-N 3.31Å; I791-L793 PolarHBondContact O-N 2.84Å; I791-Q794 PolarHBondContact O-N 2.75Å; I791-L795 PolarHBondContact O-N 2.88Å |
| 792 | L | 76.3 | Confident | 73.9 | Confident | 114 Ų | 114 | 88.6 Ų | 88.6 | 60% | 0.597 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -57.6 | -44 | 168.6 | -80.5 | 165.3 | 0 | 0 | 0 | 111.5 | R788 E789 L795 E796 | R788-L792 WeakPolarHBondContact O-CB 3.46Å; R788-L792 WeakPolarHBondContact O-CG 3.41Å; R788-L792 PolarHBondContact O-N 2.73Å; E789-L792 PolarHBondContact O-N 2.74Å; L792-L795 WeakPolarHBondContact O-CB 3.38Å; L792-L795 PolarHBondContact O-N 2.98Å; L792-E796 PolarHBondContact O-N 3.24Å |
| 793 | L | 80 | Confident | 71.3 | Confident | 101 Ų | 101 | 90 Ų | 90 | 53% | 0.529 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.6 | -36.8 | 175.8 | -71.8 | 166.9 | 0 | 0 | 0 | 112.6 | E789 I791 L795 E796 V797 | E789-L793 WeakPolarHBondContact O-CG 3.39Å; E789-L793 PolarHBondContact O-N 2.89Å; I791-L793 VanDerWaalsContact C-N 3.31Å; I791-L793 PolarHBondContact O-N 2.84Å; L793-L795 VanDerWaalsContact C-N 3.34Å; L793-E796 PolarHBondContact O-N 3.45Å; L793-V797 WeakPolarHBondContact O-CG2 3.39Å; L793-V797 PolarHBondContact O-N 3.28Å |
| 794 | Q | 71.4 | Confident | 69 | Low | 128 Ų | 128 | 92.2 Ų | 92.2 | 60% | 0.598 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.6 | -38.8 | 171.1 | -76.9 | -171.9 | -5.6 | 0 | 0 | 112.1 | G790 I791 V797 L798 | G790-Q794 PolarHBondContact O-N 3.33Å; G790-Q794 VanDerWaalsContact O-N 3.15Å; I791-Q794 PolarHBondContact O-N 2.75Å; Q794-V797 PolarHBondContact O-N 2.69Å; Q794-L798 WeakPolarHBondContact O-CB 3.02Å; Q794-L798 VanDerWaalsContact O-CG 3.29Å; Q794-L798 WeakPolarHBondContact O-CG 3.38Å; Q794-L798 PolarHBondContact O-N 2.89Å |
| 795 | L | 66.8 | Low | 66.9 | Low | 44 Ų | 44 | 99.7 Ų | 99.7 | 23% | 0.23 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -67.7 | -38.4 | 176.7 | -160.3 | 74.4 | 0 | 0 | 0 | 111.6 | V708 I791 L792 L793 L798 T799 | V708-L795 HydrophobicContact CB-CD1 4.48Å; V708-L795 HydrophobicContact CG1-CD1 4.3Å; V708-L795 HydrophobicContact CG2-CD1 4.28Å; I791-L795 PolarHBondContact O-N 2.88Å; L792-L795 WeakPolarHBondContact O-CB 3.38Å; L792-L795 PolarHBondContact O-N 2.98Å; L793-L795 VanDerWaalsContact C-N 3.34Å; L795-L798 CarbonylContact O-C 3.6Å; L795-L798 PolarHBondContact O-N 3.14Å; L795-T799 WeakPolarHBondContact O-CB 3.45Å; L795-T799 WeakPolarHBondContact O-CG2 3.06Å; L795-T799 PolarHBondContact O-N 2.8Å; L795-T799 PolarHBondContact O-OG1 3.37Å |
| 796 | E | 70.4 | Confident | 64.4 | Low | 129 Ų | 129 | 105.6 Ų | 105.6 | 60% | 0.603 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -61.9 | -45.3 | 173.2 | -170.5 | 171.9 | -158.6 | 0 | 0 | 111.3 | L792 L793 L798 T799 A800 | L792-E796 PolarHBondContact O-N 3.24Å; L793-E796 PolarHBondContact O-N 3.45Å; E796-L798 VanDerWaalsContact C-N 3.32Å; E796-L798 PolarHBondContact O-N 2.92Å; E796-T799 PolarHBondContact O-N 3.03Å; E796-T799 VanDerWaalsContact O-N 3.16Å; E796-T799 PolarHBondContact O-OG1 3.15Å; E796-A800 PolarHBondContact O-N 3.06Å |
| 797 | V | 68.3 | Low | 62 | Low | 117 Ų | 117 | 105.2 Ų | 105.2 | 71% | 0.709 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64.3 | -33.1 | 175 | 171.1 | 0 | 0 | 0 | 0 | 112.7 | L793 Q794 | L793-V797 WeakPolarHBondContact O-CG2 3.39Å; L793-V797 PolarHBondContact O-N 3.28Å; Q794-V797 PolarHBondContact O-N 2.69Å |
| 798 | L | 58.1 | Low | 60 | Low | 93 Ų | 93 | 110.1 Ų | 110.1 | 49% | 0.487 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -80.7 | -14.2 | 175.5 | -72.3 | 171.2 | 0 | 0 | 0 | 113.9 | Q794 L795 E796 | Q794-L798 WeakPolarHBondContact O-CB 3.02Å; Q794-L798 VanDerWaalsContact O-CG 3.29Å; Q794-L798 WeakPolarHBondContact O-CG 3.38Å; Q794-L798 PolarHBondContact O-N 2.89Å; L795-L798 CarbonylContact O-C 3.6Å; L795-L798 PolarHBondContact O-N 3.14Å; E796-L798 VanDerWaalsContact C-N 3.32Å; E796-L798 PolarHBondContact O-N 2.92Å |
| 799 | T | 52.8 | Low | 57.7 | Low | 58 Ų | 58 | 114.9 Ų | 114.9 | 36% | 0.356 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -112 | -8.3 | -179.7 | 55.8 | 0 | 0 | 0 | 0 | 114.3 | L795 E796 E801 | L795-T799 WeakPolarHBondContact O-CB 3.45Å; L795-T799 WeakPolarHBondContact O-CG2 3.06Å; L795-T799 PolarHBondContact O-N 2.8Å; L795-T799 PolarHBondContact O-OG1 3.37Å; E796-T799 PolarHBondContact O-N 3.03Å; E796-T799 VanDerWaalsContact O-N 3.16Å; E796-T799 PolarHBondContact O-OG1 3.15Å; T799-E801 PolarHBondContact O-N 2.99Å |
| 800 | A | 48.4 | Very low | 55.3 | Low | 69 Ų | 69 | 117.9 Ų | 117.9 | 57% | 0.57 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -58.6 | 121 | 162.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | E796 | E796-A800 PolarHBondContact O-N 3.06Š|
| 801 | E | 47.5 | Very low | 53 | Low | 175 Ų | 175 | 124.3 Ų | 124.3 | 82% | 0.818 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 145.3 | 177 | -70.8 | -167.2 | 133 | 0 | 0 | 111.5 | T799 | T799-E801 PolarHBondContact O-N 2.99Š|
| 802 | P | 44.5 | Very low | 50.8 | Low | 114 Ų | 114 | 132.4 Ų | 132.4 | 74% | 0.74 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 132.5 | 169.6 | 28 | -33.8 | 0 | 0 | 0 | 109.2 | E804 | P802-E804 PolarHBondContact O-N 2.95Š|
| 803 | P | 38.4 | Very low | 48.7 | Very low | 113 Ų | 113 | 132.8 Ų | 132.8 | 73% | 0.734 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -62 | 137.5 | -176.3 | 24.4 | -33.9 | 0 | 0 | 0 | 111.6 | H805 | P803-H805 PolarHBondContact O-N 3.19Š|
| 804 | E | 43 | Very low | 46.2 | Very low | 184 Ų | 184 | 140.1 Ų | 140.1 | 86% | 0.86 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -68.2 | 52.7 | -176.1 | -65.9 | -163.4 | 127.2 | 0 | 0 | 114.6 | P802 | P802-E804 PolarHBondContact O-N 2.95Š|
| 805 | H | 46.8 | Very low | 44.2 | Very low | 158 Ų | 158 | 140.5 Ų | 140.5 | 73% | 0.731 | 71% | 0.706 | S | S | * | * | trans | -132.5 | 52.3 | -168.4 | -79.9 | -3.2 | 0 | 0 | 0 | 114.2 | P803 | P803-H805 PolarHBondContact O-N 3.19Š| ||
| 806 | Y | 36.6 | Very low | 42.6 | Very low | 218 Ų | 218 | 147 Ų | 147 | 86% | 0.855 | 74% | 0.735 | S | S | * | * | trans | -145.1 | 36.3 | 155.4 | -96.7 | -61.4 | 0 | 0 | 0 | 115.9 | N808 | Y806-N808 PolarHBondContact O-N 3.38Š| ||
| 807 | S | 39.5 | Very low | 40.6 | Very low | 118 Ų | 118 | 150 Ų | 150 | 83% | 0.825 | 75% | 0.749 | S | S | * | * | trans | -73.3 | 39.2 | 171.2 | -57.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 808 | N | 41.4 | Very low | 38.8 | Very low | 139 Ų | 139 | 148.8 Ų | 148.8 | 74% | 0.743 | 75% | 0.746 | S | S | * | * | trans | -152.9 | 86.3 | 176.4 | -91.7 | -63.2 | 0 | 0 | 0 | 111.3 | Y806 | Y806-N808 PolarHBondContact O-N 3.38Š| ||
| 809 | L | 36 | Very low | 37.5 | Very low | 177 Ų | 177 | 152.5 Ų | 152.5 | 93% | 0.927 | 77% | 0.766 | S | S | * | * | trans | -129.3 | 129.3 | 153.9 | -160.7 | 71.6 | 0 | 0 | 0 | 109 | ||||
| 810 | H | 34.7 | Very low | 36.3 | Very low | 157 Ų | 157 | 153.2 Ų | 153.2 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | -67.9 | 137.1 | -168.9 | -108.3 | -88.7 | 0 | 0 | 0 | 112.8 | Y812 | H810-Y812 HydrophobicContact CB-CD2 4.33Å; H810-Y812 HydrophobicContact CB-CE2 4.18Å; H810-Y812 PolarHBondContact O-N 2.89Å | ||
| 811 | Q | 37 | Very low | 35.5 | Very low | 168 Ų | 168 | 158.8 Ų | 158.8 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | trans | -59.4 | 96.9 | 171.1 | -178 | -177.1 | 13.8 | 0 | 0 | 111.3 | ||||
| 812 | Y | 28.6 | Very low | 34.6 | Very low | 207 Ų | 207 | 156.3 Ų | 156.3 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | trans | -97.6 | 121.2 | 166.6 | -87.5 | -84.3 | 0 | 0 | 0 | 110.2 | H810 W814 | H810-Y812 HydrophobicContact CB-CD2 4.33Å; H810-Y812 HydrophobicContact CB-CE2 4.18Å; H810-Y812 PolarHBondContact O-N 2.89Å; Y812-W814 PolarHBondContact O-N 2.64Å | ||
| 813 | N | 32.6 | Very low | 33.8 | Very low | 122 Ų | 122 | 156.8 Ų | 156.8 | 65% | 0.652 | 80% | 0.803 | S | S | * | * | trans | -70.2 | 121.3 | 179.1 | -64.7 | -69.5 | 0 | 0 | 0 | 110.4 | I815 | N813-I815 HydrophobicContact CB-CG1 4.18Å; N813-I815 PolarHBondContact O-N 3.35Å | ||
| 814 | W | 26.9 | Very low | 33.2 | Very low | 254 Ų | 254 | 156.9 Ų | 156.9 | 96% | 0.962 | 81% | 0.805 | S | S | * | * | trans | -86.8 | 96.8 | 158 | -135.6 | -111.4 | 0 | 0 | 0 | 108.1 | Y812 | Y812-W814 PolarHBondContact O-N 2.64Š| ||
| 815 | I | 30.4 | Very low | 32.5 | Very low | 137 Ų | 137 | 154.3 Ų | 154.3 | 70% | 0.703 | 81% | 0.807 | S | S | * | * | trans | -84.3 | 125.8 | 172 | -66.9 | -179.8 | 0 | 0 | 0 | 107.9 | N813 E817 | N813-I815 HydrophobicContact CB-CG1 4.18Å; N813-I815 PolarHBondContact O-N 3.35Å; I815-E817 PolarHBondContact O-N 3.12Å; I815-E817 VanDerWaalsContact O-N 3.16Å | ||
| 816 | E | 32.6 | Very low | 31.8 | Very low | 179 Ų | 179 | 155.7 Ų | 155.7 | 84% | 0.836 | 81% | 0.811 | S | S | * | * | trans | -72.3 | 99.9 | 178 | -171.9 | 171.6 | -152 | 0 | 0 | 110.2 | S818 | E816-S818 PolarHBondContact O-N 3.31Š| ||
| 817 | E | 28.6 | Very low | 31.4 | Very low | 194 Ų | 194 | 152.9 Ų | 152.9 | 91% | 0.907 | 81% | 0.809 | S | S | * | * | trans | -66.7 | 115.4 | 175.2 | -73.9 | -163.4 | 138.7 | 0 | 0 | 110.9 | I815 | I815-E817 PolarHBondContact O-N 3.12Å; I815-E817 VanDerWaalsContact O-N 3.16Å | ||
| 818 | S | 30.5 | Very low | 31 | Very low | 91 Ų | 91 | 156.2 Ų | 156.2 | 64% | 0.636 | 81% | 0.811 | S | S | * | * | trans | -123.1 | 97 | 172.2 | 50.6 | 0 | 0 | 0 | 0 | 112.3 | E816 | E816-S818 PolarHBondContact O-N 3.31Š| ||
| 819 | N | 30.2 | Very low | 31.1 | Very low | 170 Ų | 170 | 155.5 Ų | 155.5 | 91% | 0.909 | 81% | 0.814 | S | S | * | * | trans | 67.8 | 153.6 | 162.6 | -47.8 | -60 | 0 | 0 | 0 | 117.2 | ||||
| 820 | G | 29 | Very low | 30.7 | Very low | 73 Ų | 73 | 150.3 Ų | 150.3 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | trans | 139.3 | 36 | 160.8 | 0 | 0 | 0 | 0 | 0 | 119.4 | T822 | G820-T822 PolarHBondContact O-N 3.16Å; G820-T822 VanDerWaalsContact O-N 3.13Å | ||
| 821 | Q | 30.2 | Very low | 30.4 | Very low | 186 Ų | 186 | 151.8 Ų | 151.8 | 87% | 0.869 | 81% | 0.813 | S | S | * | * | trans | -15.5 | 106.3 | 155.1 | 176.2 | -167.9 | -23.3 | 0 | 0 | 115.7 | ||||
| 822 | T | 28 | Very low | 30.3 | Very low | 123 Ų | 123 | 147.6 Ų | 147.6 | 76% | 0.755 | 81% | 0.807 | S | S | * | * | 176.9 | 152.6 | 127.4 | 26.2 | 0 | 0 | 0 | 0 | 115.8 | G820 | G820-T822 PolarHBondContact O-N 3.16Å; G820-T822 VanDerWaalsContact O-N 3.13Å | |||
| 823 | S | 28.9 | Very low | 30.9 | Very low | 125 Ų | 125 | 143.4 Ų | 143.4 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | trans | 77.8 | 136.7 | 155.3 | 78.3 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 824 | C | 26.2 | Very low | 30.7 | Very low | 115 Ų | 115 | 147.4 Ų | 147.4 | 78% | 0.777 | 81% | 0.811 | S | S | * | * | trans | -110.7 | 146.2 | 179.5 | 173.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 825 | S | 28.9 | Very low | 30.8 | Very low | 129 Ų | 129 | 141.8 Ų | 141.8 | 90% | 0.902 | 81% | 0.805 | S | S | * | * | trans | -153.9 | 147.3 | 149.1 | -85.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 826 | K | 30.8 | Very low | 30.6 | Very low | 188 Ų | 188 | 141.2 Ų | 141.2 | 82% | 0.817 | 81% | 0.808 | S | S | * | * | trans | -126.6 | 143.1 | -172.6 | 179.9 | 179.8 | -171.5 | 172.4 | 0 | 107.4 | ||||
| 827 | I | 27.5 | Very low | 30.3 | Very low | 158 Ų | 158 | 140.4 Ų | 140.4 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | trans | -177.4 | 130.1 | 151.9 | -96.8 | 146.4 | 0 | 0 | 0 | 111 | ||||
| 828 | H | 32.3 | Very low | 32 | Very low | 188 Ų | 188 | 136.5 Ų | 136.5 | 87% | 0.87 | 79% | 0.793 | S | S | * | * | trans | -111.3 | 149.7 | 151.8 | -72 | -70.4 | 0 | 0 | 0 | 106.5 | ||||
| 829 | P | 44.3 | Very low | 33.3 | Very low | 124 Ų | 124 | 136.9 Ų | 136.9 | 81% | 0.805 | 79% | 0.794 | S | S | * | * | -146.4 | -176.1 | 85.1 | 32.3 | -11 | 0 | 0 | 0 | 112.9 | |||||
| 830 | G | 25.9 | Very low | 33.6 | Very low | 69 Ų | 69 | 136 Ų | 136 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | cis | 146.7 | 167.2 | -8.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 831 | M | 29.8 | Very low | 34 | Very low | 187 Ų | 187 | 140.3 Ų | 140.3 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | trans | 80.3 | 125.8 | 168.7 | -55.9 | -142.4 | 70.6 | 0 | 0 | 121.2 | ||||
| 832 | A | 33.3 | Very low | 34 | Very low | 80 Ų | 80 | 134.6 Ų | 134.6 | 66% | 0.661 | 79% | 0.786 | S | S | * | * | trans | -95.4 | -174.2 | 149.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 833 | P | 42.2 | Very low | 34.2 | Very low | 120 Ų | 120 | 136.9 Ų | 136.9 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | -156.5 | 139.8 | 105.6 | 36.5 | -16.9 | 0 | 0 | 0 | 119.6 | |||||
| 834 | R | 29.3 | Very low | 34.3 | Very low | 206 Ų | 206 | 138.9 Ų | 138.9 | 78% | 0.777 | 78% | 0.783 | S | S | * | * | trans | 29.6 | 142 | 130.8 | -76 | -178.2 | 162.8 | -172.1 | -5.3 | 124.3 | ||||
| 835 | T | 28.3 | Very low | 34.7 | Very low | 135 Ų | 135 | 137.6 Ų | 137.6 | 83% | 0.828 | 78% | 0.781 | S | S | * | * | -167.1 | 171.5 | 110.7 | 19.4 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 836 | V | 26.3 | Very low | 35.5 | Very low | 126 Ų | 126 | 137.1 Ų | 137.1 | 76% | 0.764 | 78% | 0.775 | S | S | * | * | cis | -125.8 | -144.4 | 4.6 | -158.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 837 | F | 26.9 | Very low | 35.3 | Very low | 161 Ų | 161 | 134.2 Ų | 134.2 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | trans | -162.8 | -155.3 | 175.1 | -88 | -75.5 | 0 | 0 | 0 | 108.4 | ||||
| 838 | P | 62.7 | Low | 35.3 | Very low | 112 Ų | 112 | 132.9 Ų | 132.9 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | -118.9 | -148.1 | -86.3 | 43.1 | -25.6 | 0 | 0 | 0 | 110.6 | |||||
| 839 | P | 58.4 | Low | 35.2 | Very low | 100 Ų | 100 | 127.5 Ų | 127.5 | 65% | 0.649 | 78% | 0.777 | S | S | * | * | cis | -136.9 | -177.8 | -9.2 | 43.1 | -24.3 | 0 | 0 | 0 | 117 | ||||
| 840 | D | 37.3 | Very low | 34.5 | Very low | 151 Ų | 151 | 125.2 Ų | 125.2 | 81% | 0.807 | 78% | 0.775 | S | S | * | * | trans | 39.1 | 149 | 147.8 | -51.4 | -17.1 | 0 | 0 | 0 | 121.9 | ||||
| 841 | D | 36.3 | Very low | 34.5 | Very low | 164 Ų | 164 | 128.3 Ų | 128.3 | 88% | 0.877 | 78% | 0.781 | S | S | * | * | cis | -152.4 | 162 | 10 | -153.8 | -18.9 | 0 | 0 | 0 | 110.8 | ||||
| 842 | G | 29.9 | Very low | 34.5 | Very low | 66 Ų | 66 | 127.6 Ų | 127.6 | 68% | 0.68 | 78% | 0.775 | S | S | * | * | trans | 118.1 | 134.9 | 161.7 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 843 | Q | 33.1 | Very low | 34.3 | Very low | 170 Ų | 170 | 131.8 Ų | 131.8 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | trans | -46.3 | 162.1 | 172.9 | -62.2 | 172.3 | -69.3 | 0 | 0 | 116.8 | ||||
| 844 | E | 30 | Very low | 33.9 | Very low | 167 Ų | 167 | 130.1 Ų | 130.1 | 78% | 0.78 | 78% | 0.782 | S | S | * | * | cis | -156.6 | 174.8 | -4.3 | -121.4 | 163.1 | -152.5 | 0 | 0 | 110 | ||||
| 845 | A | 34.5 | Very low | 33.8 | Very low | 88 Ų | 88 | 124.3 Ų | 124.3 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | -129 | -167.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 846 | P | 46.9 | Very low | 33.6 | Very low | 119 Ų | 119 | 127.5 Ų | 127.5 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | cis | -126.6 | -168.3 | -15.2 | 33.1 | -11.8 | 0 | 0 | 0 | 111.3 | ||||
| 847 | C | 26.3 | Very low | 33.9 | Very low | 128 Ų | 128 | 127.6 Ų | 127.6 | 87% | 0.865 | 78% | 0.782 | S | S | * | * | cis | -153.1 | 161.9 | -36.7 | -101.1 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 848 | S | 27.8 | Very low | 34.2 | Very low | 130 Ų | 130 | 125.6 Ų | 125.6 | 91% | 0.909 | 79% | 0.785 | S | S | * | * | trans | -130.8 | 149.6 | 179.4 | -177.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 849 | G | 29.7 | Very low | 33.3 | Very low | 74 Ų | 74 | 126.1 Ų | 126.1 | 76% | 0.763 | 79% | 0.789 | S | S | * | * | trans | -165.7 | 156.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 850 | G | 28.8 | Very low | 32 | Very low | 76 Ų | 76 | 127.9 Ų | 127.9 | 78% | 0.784 | 80% | 0.798 | S | S | * | * | cis | -162.1 | 141.7 | -4.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q852 | G850-Q852 PolarHBondContact O-N 3.41Š| ||
| 851 | T | 27.6 | Very low | 31.5 | Very low | 135 Ų | 135 | 128.4 Ų | 128.4 | 83% | 0.828 | 80% | 0.8 | S | S | * | * | trans | -54.3 | 117.4 | -176.1 | -38.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 852 | Q | 29.5 | Very low | 31.2 | Very low | 171 Ų | 171 | 128.6 Ų | 128.6 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | 56.6 | 118.2 | 80.7 | -73.1 | -167.2 | 1.3 | 0 | 0 | 117.8 | G850 | G850-Q852 PolarHBondContact O-N 3.41Š| |||
| 853 | L | 29.3 | Very low | 31.1 | Very low | 168 Ų | 168 | 133.3 Ų | 133.3 | 88% | 0.88 | 81% | 0.805 | S | S | * | * | 176.4 | 150.1 | 128.7 | -129.6 | 62.2 | 0 | 0 | 0 | 111.1 | |||||
| 854 | A | 33.7 | Very low | 30.9 | Very low | 86 Ų | 86 | 129.8 Ų | 129.8 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | cis | -165.7 | 162.1 | -45.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 855 | A | 26.3 | Very low | 30.8 | Very low | 84 Ų | 84 | 127.8 Ų | 127.8 | 69% | 0.694 | 80% | 0.798 | S | S | * | * | trans | 68.8 | 147 | 168.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 856 | F | 25 | Very low | 30.5 | Very low | 202 Ų | 202 | 134.4 Ų | 134.4 | 89% | 0.886 | 81% | 0.805 | S | S | * | * | cis | -131.2 | 167.9 | 14.2 | -83.1 | -95.8 | 0 | 0 | 0 | 114.2 | ||||
| 857 | T | 31.7 | Very low | 29.6 | Very low | 128 Ų | 128 | 137.4 Ų | 137.4 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | trans | -148.4 | 149.7 | 174.9 | 52.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 858 | P | 33.8 | Very low | 29.6 | Very low | 119 Ų | 119 | 136.1 Ų | 136.1 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | -156.8 | -155.7 | 74.9 | 42.3 | -20.3 | 0 | 0 | 0 | 113.8 | |||||
| 859 | P | 43.3 | Very low | 30 | Very low | 123 Ų | 123 | 136.3 Ų | 136.3 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | cis | -118.7 | -168.1 | -49.2 | 28.4 | -7.5 | 0 | 0 | 0 | 113.4 | ||||
| 860 | T | 30.5 | Very low | 29.9 | Very low | 137 Ų | 137 | 138.6 Ų | 138.6 | 84% | 0.84 | 81% | 0.805 | S | S | * | * | trans | -91.8 | 157.9 | -168.2 | 49.8 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 861 | L | 27 | Very low | 29.8 | Very low | 162 Ų | 162 | 140.9 Ų | 140.9 | 85% | 0.848 | 81% | 0.809 | S | S | * | * | trans | -148.3 | 161.3 | 133.1 | -165.9 | 54.8 | 0 | 0 | 0 | 110.7 | ||||
| 862 | E | 31.5 | Very low | 29.9 | Very low | 167 Ų | 167 | 140.3 Ų | 140.3 | 78% | 0.78 | 81% | 0.811 | S | S | * | * | trans | -94.9 | 158.4 | -165.5 | -58.7 | 155.3 | 104.5 | 0 | 0 | 114.4 | ||||
| 863 | N | 26.3 | Very low | 29.7 | Very low | 166 Ų | 166 | 137.1 Ų | 137.1 | 89% | 0.888 | 81% | 0.814 | S | S | * | * | -164.1 | 162.8 | 128.7 | -121.1 | -31.1 | 0 | 0 | 0 | 115 | |||||
| 864 | S | 29.3 | Very low | 29.6 | Very low | 96 Ų | 96 | 141.9 Ų | 141.9 | 67% | 0.671 | 82% | 0.82 | S | S | * | * | trans | -151.9 | 161.1 | -176.9 | -162.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 865 | T | 27.8 | Very low | 29.3 | Very low | 124 Ų | 124 | 142.2 Ų | 142.2 | 76% | 0.761 | 82% | 0.823 | S | S | * | * | cis | -148.5 | 155.4 | 18.9 | -45.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 866 | R | 28 | Very low | 29.5 | Very low | 228 Ų | 228 | 147.8 Ų | 147.8 | 86% | 0.86 | 83% | 0.832 | S | S | * | * | trans | -108.1 | 120.2 | 168.4 | -175.8 | -180 | -71.2 | -131.9 | 2.3 | 110.7 | ||||
| 867 | M | 27.7 | Very low | 29.6 | Very low | 182 Ų | 182 | 146.5 Ų | 146.5 | 90% | 0.897 | 83% | 0.833 | S | S | * | * | trans | -83.3 | 153.1 | 165.6 | -78.4 | -70.1 | -147.9 | 0 | 0 | 110.5 | ||||
| 868 | S | 27.8 | Very low | 29.2 | Very low | 101 Ų | 101 | 143.3 Ų | 143.3 | 71% | 0.706 | 83% | 0.826 | S | S | * | * | trans | -133.9 | 133 | 172.7 | -58.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 869 | P | 36 | Very low | 29.6 | Very low | 134 Ų | 134 | 143.7 Ų | 143.7 | 87% | 0.87 | 83% | 0.828 | S | S | * | * | trans | -80.6 | 141.8 | 167.8 | 33 | -31.9 | 0 | 0 | 0 | 110.4 | ||||
| 870 | S | 26.9 | Very low | 28.8 | Very low | 122 Ų | 122 | 143.9 Ų | 143.9 | 85% | 0.853 | 83% | 0.827 | S | S | * | * | trans | -133 | 148 | 167 | 54 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 871 | S | 27.8 | Very low | 29.5 | Very low | 123 Ų | 123 | 142.6 Ų | 142.6 | 86% | 0.86 | 82% | 0.821 | S | S | * | * | trans | -77.3 | 157.8 | -170.1 | 56.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 872 | S | 28.4 | Very low | 29.6 | Very low | 123 Ų | 123 | 142.7 Ų | 142.7 | 86% | 0.86 | 82% | 0.822 | S | S | * | * | trans | -143.1 | 140.6 | 155.8 | 59.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 873 | A | 26.8 | Very low | 29.4 | Very low | 105 Ų | 105 | 138.8 Ų | 138.8 | 87% | 0.868 | 81% | 0.813 | S | S | * | * | trans | -103.1 | 152 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 874 | W | 26.5 | Very low | 29.4 | Very low | 267 Ų | 267 | 138.2 Ų | 138.2 | 100% | 1.011 | 81% | 0.81 | S | S | * | * | trans | -97.9 | 115.6 | -173.8 | -137.1 | -23.2 | 0 | 0 | 0 | 111.8 | ||||
| 875 | A | 26.7 | Very low | 29.4 | Very low | 94 Ų | 94 | 139.5 Ų | 139.5 | 78% | 0.777 | 82% | 0.817 | S | S | * | * | trans | -142.8 | 146.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 876 | K | 31.5 | Very low | 30.2 | Very low | 200 Ų | 200 | 139 Ų | 139 | 87% | 0.87 | 82% | 0.817 | S | S | * | * | trans | -79.7 | 147.6 | -175.7 | -63.7 | 170 | 178 | 171.7 | 0 | 111.8 | ||||
| 877 | L | 26 | Very low | 30.2 | Very low | 176 Ų | 176 | 135.3 Ų | 135.3 | 92% | 0.921 | 82% | 0.819 | S | S | * | * | 174.5 | 154 | 118.3 | -92.2 | 161.6 | 0 | 0 | 0 | 112.3 | |||||
| 878 | G | 23.1 | Very low | 30.3 | Very low | 61 Ų | 61 | 129.7 Ų | 129.7 | 63% | 0.629 | 81% | 0.808 | S | S | * | * | trans | -96.7 | -163.9 | 161.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 879 | P | 42.5 | Very low | 30.4 | Very low | 127 Ų | 127 | 132.3 Ų | 132.3 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | cis | -139.5 | -157.8 | 19.8 | 43.1 | -22.8 | 0 | 0 | 0 | 115.6 | ||||
| 880 | T | 27.3 | Very low | 30.3 | Very low | 127 Ų | 127 | 133.4 Ų | 133.4 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | trans | -56.7 | 165.2 | 179.3 | -6.1 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 881 | P | 43.9 | Very low | 30.6 | Very low | 109 Ų | 109 | 134.5 Ų | 134.5 | 71% | 0.708 | 80% | 0.796 | S | S | * | * | -157.9 | 157.8 | 82.1 | 40.5 | -19.9 | 0 | 0 | 0 | 120.8 | |||||
| 882 | L | 29.2 | Very low | 30.9 | Very low | 165 Ų | 165 | 131.9 Ų | 131.9 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | trans | 64.5 | 151.1 | 148.8 | -94.5 | 73.6 | 0 | 0 | 0 | 120.5 | ||||
| 883 | S | 28.1 | Very low | 31 | Very low | 85 Ų | 85 | 133.3 Ų | 133.3 | 59% | 0.594 | 78% | 0.78 | S | S | * | * | cis | -160.8 | 171.8 | -0.4 | 56.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 884 | N | 26.5 | Very low | 31.3 | Very low | 153 Ų | 153 | 133.2 Ų | 133.2 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | 92.3 | 109.6 | 154 | -61.9 | -22.4 | 0 | 0 | 0 | 121.2 | ||||
| 885 | C | 28.2 | Very low | 31.7 | Very low | 123 Ų | 123 | 129.6 Ų | 129.6 | 83% | 0.831 | 76% | 0.76 | S | S | * | * | trans | -79 | -177.2 | 162.6 | -39.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 886 | P | 44.6 | Very low | 32.2 | Very low | 115 Ų | 115 | 136.4 Ų | 136.4 | 75% | 0.747 | 78% | 0.783 | S | S | * | * | -150.6 | -178 | 53 | 38.3 | -14.7 | 0 | 0 | 0 | 118.4 | |||||
| 887 | V | 29.3 | Very low | 32.3 | Very low | 149 Ų | 149 | 133.3 Ų | 133.3 | 90% | 0.903 | 78% | 0.778 | S | S | * | * | trans | 76 | 130 | 167.6 | -167 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 888 | G | 28.5 | Very low | 32.6 | Very low | 65 Ų | 65 | 131 Ų | 131 | 67% | 0.67 | 77% | 0.771 | S | S | * | * | cis | 169 | 156.2 | -10.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 889 | E | 30.9 | Very low | 33.1 | Very low | 156 Ų | 156 | 134.9 Ų | 134.9 | 73% | 0.729 | 78% | 0.778 | S | S | * | * | trans | 56.9 | 135.3 | 163.7 | -75.8 | -157.3 | 128.1 | 0 | 0 | 122.9 | ||||
| 890 | K | 34 | Very low | 32.6 | Very low | 156 Ų | 156 | 135.4 Ų | 135.4 | 68% | 0.678 | 78% | 0.776 | S | S | * | * | trans | 72.5 | 147.9 | 144.5 | -72.3 | 163.6 | -174.2 | 146.5 | 0 | 119.9 | ||||
| 891 | D | 33 | Very low | 32.9 | Very low | 145 Ų | 145 | 135.9 Ų | 135.9 | 78% | 0.775 | 78% | 0.776 | S | S | * | * | cis | -164.5 | 162.4 | -30 | -140.8 | -31.5 | 0 | 0 | 0 | 109.4 | ||||
| 892 | A | 33 | Very low | 32.2 | Very low | 69 Ų | 69 | 137.7 Ų | 137.7 | 57% | 0.57 | 78% | 0.78 | S | S | * | * | trans | 47.9 | 139.7 | 154.8 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 893 | D | 30.9 | Very low | 32.4 | Very low | 153 Ų | 153 | 135.7 Ų | 135.7 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | 66 | 155 | 131.3 | -73.3 | 6.2 | 0 | 0 | 0 | 120.8 | ||||
| 894 | V | 34.7 | Very low | 32.7 | Very low | 103 Ų | 103 | 139.6 Ų | 139.6 | 62% | 0.624 | 79% | 0.788 | S | S | * | * | cis | -166.1 | 143.3 | -15.8 | 115.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 895 | F | 32.9 | Very low | 33.2 | Very low | 191 Ų | 191 | 138.5 Ų | 138.5 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | trans | 51.7 | 130.2 | 162.1 | -69.1 | -137.7 | 0 | 0 | 0 | 117.4 | ||||
| 896 | L | 38.9 | Very low | 33.7 | Very low | 237 Ų | 237 | 139.9 Ų | 139.9 | 100% | 1.241 | 78% | 0.781 | S | S | * | * | -161.1 | 0 | 68.9 | -113.9 | 168.6 | 0 | 0 | 0 | 111.1 |
Retrieved 896 of 896 residues in 117.2 ms
(Link to these results)