| 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 | 39.3 | Very low | 47 | Very low | 238 Ų | 238 | 160.1 Ų | 160.1 | 100% | 1.172 | 80% | 0.801 | S | S | * | * | 0 | 96.6 | 0 | -63.7 | 175.6 | -162.3 | 0 | 0 | 105 | |||||
| 2 | E | 42.8 | Very low | 47 | Very low | 184 Ų | 184 | 158.6 Ų | 158.6 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | 43 | 117.9 | 92 | -74.3 | -172.5 | 167.4 | 0 | 0 | 110.2 | |||||
| 3 | V | 41.2 | Very low | 47.7 | Very low | 124 Ų | 124 | 153.9 Ų | 153.9 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | -142.2 | 128.7 | 60.9 | -173.3 | 0 | 0 | 0 | 0 | 111.7 | I5 | V3-I5 HydrophobicContact CG1-CD1 4.39Å; V3-I5 HydrophobicContact CG1-CG1 3.78Å | |||
| 4 | N | 46.1 | Very low | 48.4 | Very low | 127 Ų | 127 | 152.1 Ų | 152.1 | 68% | 0.679 | 77% | 0.773 | S | S | * | * | trans | -80.5 | 120.7 | 164.2 | -167.4 | -27.5 | 0 | 0 | 0 | 107.6 | ||||
| 5 | I | 50.7 | Low | 49.3 | Very low | 137 Ų | 137 | 155.2 Ų | 155.2 | 70% | 0.703 | 78% | 0.779 | S | S | * | * | trans | -114.9 | 86.8 | 171.4 | -56.4 | -177.6 | 0 | 0 | 0 | 107.4 | V3 F7 | V3-I5 HydrophobicContact CG1-CD1 4.39Å; V3-I5 HydrophobicContact CG1-CG1 3.78Å; I5-F7 VanDerWaalsContact C-N 3.33Å; I5-F7 PolarHBondContact O-N 3.29Å | ||
| 6 | D | 51.6 | Low | 50 | Low | 138 Ų | 138 | 150 Ų | 150 | 74% | 0.738 | 78% | 0.777 | S | S | * | * | trans | -64.6 | 90.4 | 162.9 | -82.9 | -43.5 | 0 | 0 | 0 | 109.4 | K8 | D6-K8 VanDerWaalsContact C-N 3.34Å; D6-K8 PolarHBondContact O-N 3.35Å; D6-K8 VanDerWaalsContact O-N 3.16Å | ||
| 7 | F | 45.3 | Very low | 50.7 | Low | 184 Ų | 184 | 149.6 Ų | 149.6 | 81% | 0.807 | 78% | 0.777 | S | S | * | * | trans | -81.7 | 91.5 | 160.8 | -143.3 | -94.6 | 0 | 0 | 0 | 107.9 | I5 K9 | I5-F7 VanDerWaalsContact C-N 3.33Å; I5-F7 PolarHBondContact O-N 3.29Å; F7-K9 VanDerWaalsContact C-N 3.31Å; F7-K9 PolarHBondContact O-N 3.31Å | ||
| 8 | K | 54.5 | Low | 51.4 | Low | 190 Ų | 190 | 147.9 Ų | 147.9 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | trans | -41.6 | 95.9 | 162.4 | -87.5 | -176.5 | 171.5 | -176.4 | 0 | 109.3 | D6 S10 | D6-K8 VanDerWaalsContact C-N 3.34Å; D6-K8 PolarHBondContact O-N 3.35Å; D6-K8 VanDerWaalsContact O-N 3.16Å; K8-S10 PolarHBondContact O-N 2.82Å | ||
| 9 | K | 47.9 | Very low | 52.5 | Low | 200 Ų | 200 | 149 Ų | 149 | 87% | 0.87 | 77% | 0.772 | S | S | * | * | trans | -71.2 | 85.1 | 149.5 | -92.5 | -177.3 | 177.5 | 178.2 | 0 | 105.2 | F7 L11 | F7-K9 VanDerWaalsContact C-N 3.31Å; F7-K9 PolarHBondContact O-N 3.31Å; K9-L11 PolarHBondContact O-N 3.13Å | ||
| 10 | S | 47.1 | Very low | 53.5 | Low | 88 Ų | 88 | 146.4 Ų | 146.4 | 62% | 0.615 | 77% | 0.767 | S | S | * | * | trans | -44.8 | 101.6 | 156.4 | -179.9 | 0 | 0 | 0 | 0 | 106.4 | K8 M12 | K8-S10 PolarHBondContact O-N 2.82Å; S10-M12 PolarHBondContact O-N 3.41Å | ||
| 11 | L | 50.5 | Low | 54.5 | Low | 151 Ų | 151 | 143.1 Ų | 143.1 | 79% | 0.791 | 76% | 0.755 | S | S | * | * | trans | -63.8 | 86.9 | 165.6 | -170.8 | 82.4 | 0 | 0 | 0 | 104.5 | K9 P13 | K9-L11 PolarHBondContact O-N 3.13Å; L11-P13 HydrophobicContact CD2-CG 4.45Å; L11-P13 HydrophobicContact CG-CG 4.45Å; L11-P13 WeakPolarHBondContact O-CD 3.49Å | ||
| 12 | M | 47.2 | Very low | 56.4 | Low | 142 Ų | 142 | 141.2 Ų | 141.2 | 70% | 0.7 | 74% | 0.74 | S | S | * | * | trans | -74.2 | 103.4 | 156.2 | -70.8 | -157.2 | -161 | 0 | 0 | 105.2 | S10 L14 | S10-M12 PolarHBondContact O-N 3.41Å; M12-L14 PolarHBondContact O-N 3.43Å; M12-L14 VanDerWaalsContact O-N 3.11Å | ||
| 13 | P | 55.8 | Low | 58 | Low | 98 Ų | 98 | 142.1 Ų | 142.1 | 64% | 0.636 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | 22.7 | 177 | 15.5 | 6.2 | 0 | 0 | 0 | 110 | L11 | L11-P13 HydrophobicContact CD2-CG 4.45Å; L11-P13 HydrophobicContact CG-CG 4.45Å; L11-P13 WeakPolarHBondContact O-CD 3.49Å |
| 14 | L | 58 | Low | 59.6 | Low | 128 Ų | 128 | 142.4 Ų | 142.4 | 67% | 0.67 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | -8 | -163.8 | -97.3 | 139.4 | 0 | 0 | 0 | 114.7 | M12 | M12-L14 PolarHBondContact O-N 3.43Å; M12-L14 VanDerWaalsContact O-N 3.11Å |
| 15 | F | 61.3 | Low | 61.2 | Low | 199 Ų | 199 | 141.5 Ų | 141.5 | 87% | 0.873 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -139.2 | 20.7 | 177.5 | -66.1 | -74.6 | 0 | 0 | 0 | 114.3 | ||
| 16 | G | 61.5 | Low | 62.4 | Low | 72 Ų | 72 | 140.9 Ų | 140.9 | 74% | 0.742 | 75% | 0.749 | S | S | * | * | trans | -118.5 | 50.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 17 | N | 60.8 | Low | 63.5 | Low | 144 Ų | 144 | 145 Ų | 145 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | trans | -131.5 | 90.2 | 157.6 | -167.8 | 11.3 | 0 | 0 | 0 | 107.3 | F19 | N17-F19 PolarHBondContact O-N 2.93Š| ||
| 18 | T | 64.3 | Low | 64.7 | Low | 119 Ų | 119 | 146 Ų | 146 | 73% | 0.73 | 76% | 0.758 | S | S | * | * | trans | -64.2 | 93.3 | 166.3 | -44.9 | 0 | 0 | 0 | 0 | 105.7 | S20 | T18-S20 VanDerWaalsContact C-N 3.33Å; T18-S20 PolarHBondContact O-N 3.4Å; T18-S20 PolarHBondContact O-OG 3.24Å | ||
| 19 | F | 72.1 | Confident | 65.3 | Low | 168 Ų | 168 | 141.1 Ų | 141.1 | 74% | 0.737 | 75% | 0.748 | S | S | * | * | trans | -47.7 | 103.2 | 172.3 | 177 | -110.8 | 0 | 0 | 0 | 107.5 | N17 P21 | N17-F19 PolarHBondContact O-N 2.93Å; F19-P21 HydrophobicContact CD1-CB 4.49Å; F19-P21 HydrophobicContact CD1-CG 3.89Å; F19-P21 HydrophobicContact CE1-CB 3.82Å; F19-P21 HydrophobicContact CE1-CG 3.47Å; F19-P21 VanDerWaalsContact CE1-CG 3.47Å; F19-P21 HydrophobicContact CE2-CB 4.3Å; F19-P21 HydrophobicContact CZ-CB 3.71Å; F19-P21 HydrophobicContact CZ-CG 3.93Å; F19-P21 WeakPolarHBondContact O-CD 3.47Å | ||
| 20 | S | 71.2 | Confident | 66 | Low | 96 Ų | 96 | 136.4 Ų | 136.4 | 67% | 0.671 | 75% | 0.747 | S | S | * | * | trans | -113.4 | 68.6 | -176.5 | -59.2 | 0 | 0 | 0 | 0 | 106.8 | T18 K22 | T18-S20 VanDerWaalsContact C-N 3.33Å; T18-S20 PolarHBondContact O-N 3.4Å; T18-S20 PolarHBondContact O-OG 3.24Å; S20-K22 PolarHBondContact O-N 2.95Å | ||
| 21 | P | 75.6 | Confident | 67 | Low | 79 Ų | 79 | 135 Ų | 135 | 51% | 0.513 | 74% | 0.737 | S | S | . | * | P | Polyproline II helix | trans | -59.5 | 130.3 | -176 | 25.3 | -33.1 | 0 | 0 | 0 | 108.1 | F19 K23 | F19-P21 HydrophobicContact CD1-CB 4.49Å; F19-P21 HydrophobicContact CD1-CG 3.89Å; F19-P21 HydrophobicContact CE1-CB 3.82Å; F19-P21 HydrophobicContact CE1-CG 3.47Å; F19-P21 VanDerWaalsContact CE1-CG 3.47Å; F19-P21 HydrophobicContact CE2-CB 4.3Å; F19-P21 HydrophobicContact CZ-CB 3.71Å; F19-P21 HydrophobicContact CZ-CG 3.93Å; F19-P21 WeakPolarHBondContact O-CD 3.47Å; P21-K23 PolarHBondContact O-N 2.93Å |
| 22 | K | 78.6 | Confident | 67.8 | Low | 198 Ų | 198 | 136.2 Ų | 136.2 | 86% | 0.861 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 141 | 174.3 | -66.4 | -177.1 | 178.1 | -178.4 | 0 | 108.5 | S20 T24 | S20-K22 PolarHBondContact O-N 2.95Å; K22-T24 PolarHBondContact O-N 3.18Å; K22-T24 VanDerWaalsContact O-N 3.09Å |
| 23 | K | 76.1 | Confident | 68.9 | Low | 203 Ų | 203 | 132.1 Ų | 132.1 | 88% | 0.883 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -51 | 123.5 | 174.3 | -69.2 | -68.9 | -175.5 | 179 | 0 | 107.9 | P21 | P21-K23 PolarHBondContact O-N 2.93Š|
| 24 | T | 76.1 | Confident | 69.6 | Low | 129 Ų | 129 | 131.3 Ų | 131.3 | 79% | 0.791 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 127.2 | 177 | 31.8 | 0 | 0 | 0 | 0 | 108 | K22 | K22-T24 PolarHBondContact O-N 3.18Å; K22-T24 VanDerWaalsContact O-N 3.09Å |
| 25 | P | 79.2 | Confident | 70.3 | Confident | 108 Ų | 108 | 127.9 Ų | 127.9 | 70% | 0.701 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 146.4 | 177 | -24.8 | 32.8 | 0 | 0 | 0 | 110 | R27 | P25-R27 PolarHBondContact O-N 2.97Š|
| 26 | P | 76.6 | Confident | 70.9 | Confident | 124 Ų | 124 | 126.1 Ų | 126.1 | 81% | 0.805 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -50 | 122.4 | 174.7 | -24.9 | 33 | 0 | 0 | 0 | 109.4 | K28 | P26-K28 PolarHBondContact O-N 3.38Š|
| 27 | R | 74.9 | Confident | 71.8 | Confident | 226 Ų | 226 | 128.3 Ų | 128.3 | 85% | 0.853 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 117.1 | 172.4 | -101.2 | -175.6 | -85.2 | -175.3 | -5.2 | 106.7 | P25 S29 | P25-R27 PolarHBondContact O-N 2.97Å; R27-S29 PolarHBondContact O-N 3.47Å |
| 28 | K | 69.3 | Low | 72.8 | Confident | 203 Ų | 203 | 124.2 Ų | 124.2 | 88% | 0.883 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -62.5 | 103.5 | 167.6 | -62.8 | -172.4 | -173.8 | -175.9 | 0 | 106 | P26 | P26-K28 PolarHBondContact O-N 3.38Š|
| 29 | S | 67 | Low | 74 | Confident | 88 Ų | 88 | 122.3 Ų | 122.3 | 62% | 0.615 | 66% | 0.664 | S | S | * | * | trans | 46.3 | 117.5 | 178.5 | 53.2 | 0 | 0 | 0 | 0 | 116.4 | R27 S31 | R27-S29 PolarHBondContact O-N 3.47Å; S29-S31 PolarHBondContact O-N 3.42Å; S29-S31 VanDerWaalsContact O-N 3.13Å | ||
| 30 | A | 62.6 | Low | 74.6 | Confident | 102 Ų | 102 | 122.9 Ų | 122.9 | 84% | 0.843 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -66.7 | -10.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 31 | S | 68.9 | Low | 75.3 | Confident | 58 Ų | 58 | 121.5 Ų | 121.5 | 41% | 0.406 | 65% | 0.651 | S | S | . | * | trans | -138.6 | 132.7 | -177.9 | -172.4 | 0 | 0 | 0 | 0 | 109.8 | S29 S33 | S29-S31 PolarHBondContact O-N 3.42Å; S29-S31 VanDerWaalsContact O-N 3.13Å; S31-S33 PolarHBondContact O-N 3.38Å; S31-S33 WeakPolarHBondContact OG-CB 3.27Å; S31-S33 PolarHBondContact OG-N 3.02Å; S31-S33 VanDerWaalsContact OG-N 3.1Å | ||
| 32 | L | 66.3 | Low | 75.8 | Confident | 177 Ų | 177 | 119.7 Ų | 119.7 | 93% | 0.927 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -70.7 | 2.1 | 165.6 | -62.3 | -176.8 | 0 | 0 | 0 | 112 | S34 | L32-S34 PolarHBondContact O-N 3.48Š|
| 33 | S | 70.1 | Confident | 76.1 | Confident | 56 Ų | 56 | 114.7 Ų | 114.7 | 39% | 0.392 | 61% | 0.614 | S | S | . | * | trans | -77.6 | 119.9 | 177.1 | -171.8 | 0 | 0 | 0 | 0 | 110.8 | S31 L35 | S31-S33 PolarHBondContact O-N 3.38Å; S31-S33 WeakPolarHBondContact OG-CB 3.27Å; S31-S33 PolarHBondContact OG-N 3.02Å; S31-S33 VanDerWaalsContact OG-N 3.1Å; S33-L35 PolarHBondContact O-N 2.96Å; S33-L35 VanDerWaalsContact O-N 3.09Å; S33-L35 WeakPolarHBondContact OG-CB 3.5Å; S33-L35 PolarHBondContact OG-N 3.25Å | ||
| 34 | S | 70.4 | Confident | 76.6 | Confident | 80 Ų | 80 | 109.4 Ų | 109.4 | 56% | 0.559 | 59% | 0.593 | S | S | * | * | G | 310 helix | trans | -69.7 | 9.1 | 167.9 | -48.5 | 0 | 0 | 0 | 0 | 112.8 | L32 H36 T37 L38 | L32-S34 PolarHBondContact O-N 3.48Å; S34-H36 PolarHBondContact O-N 3.36Å; S34-T37 PolarHBondContact O-N 2.86Å; S34-T37 PolarHBondContact O-OG1 3.4Å; S34-L38 PolarHBondContact O-N 3.45Å |
| 35 | L | 73.1 | Confident | 76.9 | Confident | 57 Ų | 57 | 109.2 Ų | 109.2 | 30% | 0.298 | 59% | 0.586 | S | S | . | * | G | 310 helix | trans | -57.6 | -34.9 | -178.6 | -173.6 | 161.3 | 0 | 0 | 0 | 112.3 | S33 T37 L38 R43 | S33-L35 PolarHBondContact O-N 2.96Å; S33-L35 VanDerWaalsContact O-N 3.09Å; S33-L35 WeakPolarHBondContact OG-CB 3.5Å; S33-L35 PolarHBondContact OG-N 3.25Å; L35-T37 VanDerWaalsContact C-N 3.28Å; L35-T37 PolarHBondContact O-N 3.16Å; L35-L38 PolarHBondContact O-N 3.07Å; L35-R43 HydrophobicContact CG-CG 4.48Å |
| 36 | H | 73.8 | Confident | 77.1 | Confident | 161 Ų | 161 | 109.3 Ų | 109.3 | 75% | 0.745 | 58% | 0.577 | S | S | * | * | G | 310 helix | trans | -73.6 | -16.6 | 177.9 | -62.9 | -68.2 | 0 | 0 | 0 | 114.1 | S34 | S34-H36 PolarHBondContact O-N 3.36Š|
| 37 | T | 80.3 | Confident | 77.3 | Confident | 118 Ų | 118 | 108.8 Ų | 108.8 | 72% | 0.724 | 57% | 0.566 | S | S | * | * | G | 310 helix | trans | -93 | -14.6 | 177.7 | 59.3 | 0 | 0 | 0 | 0 | 112.8 | S34 L35 | S34-T37 PolarHBondContact O-N 2.86Å; S34-T37 PolarHBondContact O-OG1 3.4Å; L35-T37 VanDerWaalsContact C-N 3.28Å; L35-T37 PolarHBondContact O-N 3.16Å |
| 38 | L | 82.6 | Confident | 77.6 | Confident | 58 Ų | 58 | 99.2 Ų | 99.2 | 30% | 0.304 | 54% | 0.538 | S | S | . | . | S | Bend | trans | -78.9 | 140.5 | 174.6 | -62.7 | 176.1 | 0 | 0 | 0 | 110.1 | S34 L35 T42 | S34-L38 PolarHBondContact O-N 3.45Å; L35-L38 PolarHBondContact O-N 3.07Å; L38-T42 HydrophobicContact CD2-CG2 4.24Å |
| 39 | D | 88.6 | Confident | 78.2 | Confident | 80 Ų | 80 | 97.6 Ų | 97.6 | 43% | 0.428 | 54% | 0.538 | S | S | . | . | trans | -68.3 | 162.9 | 170.2 | 70.3 | -70.3 | 0 | 0 | 0 | 110.7 | S41 T42 R43 | D39-S41 VanDerWaalsContact C-N 3.28Å; D39-S41 PolarHBondContact O-N 3.02Å; D39-S41 WeakPolarHBondContact OD2-CB 3.46Å; D39-S41 PolarHBondContact OD2-N 3.07Å; D39-S41 VanDerWaalsContact OD2-N 3.1Å; D39-S41 PolarHBondContact OD2-OG 3.3Å; D39-T42 WeakPolarHBondContact OD1-CB 3.49Å; D39-T42 PolarHBondContact OD1-OG1 2.98Å; D39-T42 PolarHBondContact OD2-N 3.43Å; D39-T42 PolarHBondContact OD2-OG1 2.93Å; D39-R43 WeakPolarHBondContact O-CB 3.38Å; D39-R43 PolarHBondContact O-N 3.39Å; D39-R43 VanDerWaalsContact O-N 3.13Å | ||
| 40 | R | 85.4 | Confident | 79 | Confident | 180 Ų | 180 | 101.5 Ų | 101.5 | 68% | 0.679 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -57.8 | -40.8 | -175.4 | -178.7 | 178.5 | 177.9 | 179.8 | 0.1 | 112.4 | E44 | R40-E44 WeakPolarHBondContact CG-OE1 3.42Å; R40-E44 IonicContact CZ-OE1 3.64Å; R40-E44 IonicContact NE-OE1 3.42Å; R40-E44 PolarHBondContact NE-OE1 3.45Å; R40-E44 IonicContact NH2-OE1 3.54Å; R40-E44 WeakPolarHBondContact O-CG 3.49Å; R40-E44 PolarHBondContact O-N 3.3Å; R40-E44 VanDerWaalsContact O-N 3.12Å |
| 41 | S | 86.8 | Confident | 79.8 | Confident | 67 Ų | 67 | 99.3 Ų | 99.3 | 47% | 0.469 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -71.7 | -45.9 | -173.9 | 71.7 | 0 | 0 | 0 | 0 | 111.8 | D39 R43 E44 I45 | D39-S41 VanDerWaalsContact C-N 3.28Å; D39-S41 PolarHBondContact O-N 3.02Å; D39-S41 WeakPolarHBondContact OD2-CB 3.46Å; D39-S41 PolarHBondContact OD2-N 3.07Å; D39-S41 VanDerWaalsContact OD2-N 3.1Å; D39-S41 PolarHBondContact OD2-OG 3.3Å; S41-R43 VanDerWaalsContact C-N 3.3Å; S41-R43 PolarHBondContact O-N 3.23Å; S41-E44 PolarHBondContact O-N 3.05Å; S41-I45 WeakPolarHBondContact O-CG1 3.24Å; S41-I45 PolarHBondContact O-N 3.16Å; S41-I45 VanDerWaalsContact O-N 3.09Å |
| 42 | T | 85.4 | Confident | 80.4 | Confident | 40 Ų | 40 | 99 Ų | 99 | 25% | 0.245 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -60.5 | -41.5 | 175.8 | -56.1 | 0 | 0 | 0 | 0 | 111.6 | L38 D39 E44 I45 E46 | L38-T42 HydrophobicContact CD2-CG2 4.24Å; D39-T42 WeakPolarHBondContact OD1-CB 3.49Å; D39-T42 PolarHBondContact OD1-OG1 2.98Å; D39-T42 PolarHBondContact OD2-N 3.43Å; D39-T42 PolarHBondContact OD2-OG1 2.93Å; T42-E44 VanDerWaalsContact C-N 3.35Å; T42-E44 PolarHBondContact O-N 2.98Å; T42-I45 PolarHBondContact O-N 3.45Å; T42-E46 HydrophobicContact CG2-CG 4.21Å; T42-E46 PolarHBondContact O-N 3.48Å |
| 43 | R | 85.4 | Confident | 81.3 | Confident | 93 Ų | 93 | 95.2 Ų | 95.2 | 35% | 0.351 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.6 | -40.9 | 177.5 | -174.6 | 178.2 | 67.1 | -165.2 | 1 | 112.7 | L35 D39 S41 I45 L47 G48 | L35-R43 HydrophobicContact CG-CG 4.48Å; D39-R43 WeakPolarHBondContact O-CB 3.38Å; D39-R43 PolarHBondContact O-N 3.39Å; D39-R43 VanDerWaalsContact O-N 3.13Å; S41-R43 VanDerWaalsContact C-N 3.3Å; S41-R43 PolarHBondContact O-N 3.23Å; R43-I45 VanDerWaalsContact C-N 3.32Å; R43-L47 CarbonylContact O-C 3.55Å; R43-L47 PolarHBondContact O-N 2.93Å; R43-G48 PolarHBondContact O-N 2.76Å |
| 44 | E | 84.8 | Confident | 82.1 | Confident | 93 Ų | 93 | 96.3 Ų | 96.3 | 44% | 0.435 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67 | -33.8 | 177.9 | -75.2 | 172.1 | -170.8 | 0 | 0 | 111.7 | R40 S41 T42 G48 | R40-E44 WeakPolarHBondContact CG-OE1 3.42Å; R40-E44 IonicContact CZ-OE1 3.64Å; R40-E44 IonicContact NE-OE1 3.42Å; R40-E44 PolarHBondContact NE-OE1 3.45Å; R40-E44 IonicContact NH2-OE1 3.54Å; R40-E44 WeakPolarHBondContact O-CG 3.49Å; R40-E44 PolarHBondContact O-N 3.3Å; R40-E44 VanDerWaalsContact O-N 3.12Å; S41-E44 PolarHBondContact O-N 3.05Å; T42-E44 VanDerWaalsContact C-N 3.35Å; T42-E44 PolarHBondContact O-N 2.98Å; E44-G48 WeakPolarHBondContact O-CA 3.43Å; E44-G48 PolarHBondContact O-N 2.74Å |
| 45 | I | 83.8 | Confident | 83 | Confident | 125 Ų | 125 | 95.6 Ų | 95.6 | 64% | 0.641 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -75.5 | -48.6 | 178.4 | -66.4 | 165.2 | 0 | 0 | 0 | 111.9 | S41 T42 R43 | S41-I45 WeakPolarHBondContact O-CG1 3.24Å; S41-I45 PolarHBondContact O-N 3.16Å; S41-I45 VanDerWaalsContact O-N 3.09Å; T42-I45 PolarHBondContact O-N 3.45Å; R43-I45 VanDerWaalsContact C-N 3.32Å |
| 46 | E | 82.1 | Confident | 83.7 | Confident | 110 Ų | 110 | 97 Ų | 97 | 51% | 0.514 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -81.3 | -37.4 | -171.8 | -66.2 | -176.8 | 173 | 0 | 0 | 112.8 | T42 S51 | T42-E46 HydrophobicContact CG2-CG 4.21Å; T42-E46 PolarHBondContact O-N 3.48Å; E46-S51 PolarHBondContact O-OG 3.42Å |
| 47 | L | 81.2 | Confident | 84.3 | Confident | 112 Ų | 112 | 95.2 Ų | 95.2 | 59% | 0.586 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -124.5 | 3.2 | -169.8 | -56.6 | 175.3 | 0 | 0 | 0 | 113 | R43 | R43-L47 CarbonylContact O-C 3.55Å; R43-L47 PolarHBondContact O-N 2.93Å |
| 48 | G | 81.8 | Confident | 84.5 | Confident | 25 Ų | 25 | 94.9 Ų | 94.9 | 26% | 0.258 | 52% | 0.518 | S | S | . | . | S | Bend | trans | -76.3 | 172.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | R43 E44 E50 S51 | R43-G48 PolarHBondContact O-N 2.76Å; E44-G48 WeakPolarHBondContact O-CA 3.43Å; E44-G48 PolarHBondContact O-N 2.74Å; G48-E50 PolarHBondContact O-N 3.15Å; G48-S51 WeakPolarHBondContact O-CB 3.41Å; G48-S51 PolarHBondContact O-N 2.95Å |
| 49 | L | 81.2 | Confident | 84.4 | Confident | 169 Ų | 169 | 96 Ų | 96 | 89% | 0.885 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -24 | 178.2 | -162.4 | 67.8 | 0 | 0 | 0 | 112.5 | S51 | L49-S51 VanDerWaalsContact C-N 3.27Š|
| 50 | E | 84.4 | Confident | 84.2 | Confident | 171 Ų | 171 | 96.3 Ų | 96.3 | 80% | 0.799 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -2.1 | 175.6 | -52.3 | -55.2 | 133.1 | 0 | 0 | 112.9 | G48 G52 | G48-E50 PolarHBondContact O-N 3.15Å; E50-G52 PolarHBondContact O-N 2.85Å |
| 51 | S | 79.1 | Confident | 84 | Confident | 56 Ų | 56 | 91.7 Ų | 91.7 | 39% | 0.392 | 55% | 0.551 | S | S | . | * | trans | -64.1 | 110.4 | 168.7 | -167.6 | 0 | 0 | 0 | 0 | 106.3 | E46 G48 L49 | E46-S51 PolarHBondContact O-OG 3.42Å; G48-S51 WeakPolarHBondContact O-CB 3.41Å; G48-S51 PolarHBondContact O-N 2.95Å; L49-S51 VanDerWaalsContact C-N 3.27Å | ||
| 52 | G | 82.4 | Confident | 84 | Confident | 52 Ų | 52 | 89.8 Ų | 89.8 | 54% | 0.536 | 54% | 0.538 | S | S | . | . | trans | -60.3 | -167.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | E50 | E50-G52 PolarHBondContact O-N 2.85Š| ||
| 53 | P | 83.9 | Confident | 84 | Confident | 97 Ų | 97 | 91.4 Ų | 91.4 | 63% | 0.63 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -51.4 | 140 | 179 | -23.9 | 32.5 | 0 | 0 | 0 | 111.5 | A55 F65 | P53-A55 PolarHBondContact O-N 2.93Å; P53-F65 WeakPolarHBondContact CB-O 3.35Å |
| 54 | P | 88.1 | Confident | 84.2 | Confident | 78 Ų | 78 | 91.4 Ų | 91.4 | 51% | 0.506 | 54% | 0.542 | S | S | . | . | trans | -48.9 | 129.3 | -178.1 | -29.2 | 34.1 | 0 | 0 | 0 | 112.1 | F65 W70 | P54-F65 HydrophobicContact CB-CB 4.05Å; P54-F65 HydrophobicContact CG-CB 4.39Å; P54-F65 WeakPolarHBondContact O-CB 3.42Å; P54-F65 PolarHBondContact O-N 3.1Å; P54-W70 HydrophobicContact CB-CH2 3.84Å; P54-W70 HydrophobicContact CB-CZ3 4.49Å; P54-W70 WeakPolarHBondContact O-CZ3 3.42Å | ||
| 55 | A | 88.1 | Confident | 84.2 | Confident | 66 Ų | 66 | 90.6 Ų | 90.6 | 55% | 0.545 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 148.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | P53 W63 K64 | P53-A55 PolarHBondContact O-N 2.93Å; A55-W63 CarbonylContact C-O 3.47Å; A55-W63 WeakPolarHBondContact CA-O 3.49Å; A55-W63 WeakPolarHBondContact CB-O 3.37Å; A55-K64 HydrophobicContact CB-CG 4.32Å |
| 56 | M | 88.1 | Confident | 84.3 | Confident | 85 Ų | 85 | 90.1 Ų | 90.1 | 42% | 0.419 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 138.8 | -179.3 | 177.5 | 169.8 | 61.8 | 0 | 0 | 111.2 | W63 W70 | M56-W63 PolarHBondContact N-O 3.45Å; M56-W63 WeakPolarHBondContact O-CB 3.46Å; M56-W63 PolarHBondContact O-N 3Å; M56-W70 HydrophobicContact CB-CZ3 4.29Å |
| 57 | N | 86.7 | Confident | 84.3 | Confident | 125 Ų | 125 | 92.4 Ų | 92.4 | 67% | 0.668 | 55% | 0.548 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 114.4 | 171 | -66.3 | -64.8 | 0 | 0 | 0 | 109.4 | Q61 S62 | N57-Q61 WeakPolarHBondContact CA-O 3.38Å; N57-S62 WeakPolarHBondContact OD1-CA 3.49Å; N57-S62 WeakPolarHBondContact OD1-CB 3.32Å; N57-S62 PolarHBondContact OD1-OG 2.72Å |
| 58 | L | 85.1 | Confident | 84.4 | Confident | 111 Ų | 111 | 89.7 Ų | 89.7 | 58% | 0.581 | 55% | 0.548 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 125.6 | 179.3 | -175.2 | 64.8 | 0 | 0 | 0 | 109.6 | G60 Q61 | L58-G60 PolarHBondContact O-N 2.95Å; L58-Q61 PolarHBondContact N-O 3.28Å; L58-Q61 PolarHBondContact O-N 2.97Å |
| 59 | G | 80.7 | Confident | 84.5 | Confident | 82 Ų | 82 | 95.1 Ų | 95.1 | 85% | 0.845 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 61 | 30.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q61 | G59-Q61 PolarHBondContact O-N 3.23Š|
| 60 | G | 83 | Confident | 84.7 | Confident | 85 Ų | 85 | 92.7 Ų | 92.7 | 88% | 0.876 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.2 | 4.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | L58 | L58-G60 PolarHBondContact O-N 2.95Š|
| 61 | Q | 82.1 | Confident | 84.6 | Confident | 83 Ų | 83 | 87.6 Ų | 87.6 | 39% | 0.388 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 134.9 | 173 | -66.2 | -175.7 | -23 | 0 | 0 | 110.4 | N57 L58 G59 | N57-Q61 WeakPolarHBondContact CA-O 3.38Å; L58-Q61 PolarHBondContact N-O 3.28Å; L58-Q61 PolarHBondContact O-N 2.97Å; G59-Q61 PolarHBondContact O-N 3.23Å |
| 62 | S | 85.8 | Confident | 84.7 | Confident | 28 Ų | 28 | 86 Ų | 86 | 20% | 0.196 | 51% | 0.51 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 131.7 | 172.6 | -151.5 | 0 | 0 | 0 | 0 | 110.9 | N57 T72 E73 | N57-S62 WeakPolarHBondContact OD1-CA 3.49Å; N57-S62 WeakPolarHBondContact OD1-CB 3.32Å; N57-S62 PolarHBondContact OD1-OG 2.72Å; S62-T72 WeakPolarHBondContact O-CA 3.5Å; S62-E73 WeakPolarHBondContact CB-OE2 3.38Å; S62-E73 PolarHBondContact O-N 3.1Å |
| 63 | W | 86.9 | Confident | 84 | Confident | 74 Ų | 74 | 89.1 Ų | 89.1 | 28% | 0.28 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 139.6 | 179.5 | -62.2 | 74.1 | 0 | 0 | 0 | 109.4 | A55 M56 W70 I71 T72 | A55-W63 CarbonylContact C-O 3.47Å; A55-W63 WeakPolarHBondContact CA-O 3.49Å; A55-W63 WeakPolarHBondContact CB-O 3.37Å; M56-W63 PolarHBondContact N-O 3.45Å; M56-W63 WeakPolarHBondContact O-CB 3.46Å; M56-W63 PolarHBondContact O-N 3Å; W63-W70 HydrophobicContact CB-CE3 3.92Å; W63-W70 HydrophobicContact CB-CZ3 4.41Å; W63-W70 HydrophobicContact CE3-CB 3.82Å; W63-W70 HydrophobicContact CZ3-CB 4.28Å; W63-I71 CarbonylContact C-O 3.47Å; W63-I71 WeakPolarHBondContact CA-O 3.3Å; W63-T72 HydrophobicContact CD2-CG2 3.43Å; W63-T72 VanDerWaalsContact CD2-CG2 3.43Å; W63-T72 HydrophobicContact CE3-CG2 3.52Å; W63-T72 HydrophobicContact CG-CG2 4.15Å; W63-T72 HydrophobicContact CH2-CG2 3.59Å; W63-T72 HydrophobicContact CZ2-CG2 3.44Å; W63-T72 VanDerWaalsContact CZ2-CG2 3.44Å; W63-T72 HydrophobicContact CZ3-CG2 3.63Å |
| 64 | K | 88.7 | Confident | 83 | Confident | 92 Ų | 92 | 88.8 Ų | 88.8 | 40% | 0.4 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 145.5 | 174.2 | -73.4 | 178.6 | 164 | 168.7 | 0 | 109.4 | A55 W70 I71 E73 | A55-K64 HydrophobicContact CB-CG 4.32Å; K64-W70 CarbonylContact O-C 3.58Å; K64-W70 WeakPolarHBondContact O-CA 3.42Å; K64-I71 HydrophobicContact CB-CD1 4.4Å; K64-I71 HydrophobicContact CB-CG1 4.02Å; K64-I71 PolarHBondContact N-O 2.97Å; K64-I71 WeakPolarHBondContact O-CG1 3.29Å; K64-I71 PolarHBondContact O-N 3.42Å; K64-E73 HydrophobicContact CD-CG 3.92Å; K64-E73 WeakPolarHBondContact CE-OE1 3.27Å; K64-E73 HydrophobicContact CG-CG 4.23Å; K64-E73 IonicContact NZ-OE1 2.83Å; K64-E73 PolarHBondContact NZ-OE1 3.45Å |
| 65 | F | 86.1 | Confident | 81.5 | Confident | 76 Ų | 76 | 87.7 Ų | 87.7 | 33% | 0.333 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 113.3 | 175.1 | -170 | -102 | 0 | 0 | 0 | 109.9 | P53 P54 G68 Q69 W70 | P53-F65 WeakPolarHBondContact CB-O 3.35Å; P54-F65 HydrophobicContact CB-CB 4.05Å; P54-F65 HydrophobicContact CG-CB 4.39Å; P54-F65 WeakPolarHBondContact O-CB 3.42Å; P54-F65 PolarHBondContact O-N 3.1Å; F65-G68 VanDerWaalsContact CE2-C 3.43Å; F65-G68 VanDerWaalsContact CZ-CA 3.4Å; F65-Q69 WeakPolarHBondContact CA-O 3.32Å; F65-W70 HydrophobicContact CB-CD2 4.35Å; F65-W70 HydrophobicContact CB-CE3 4.1Å; F65-W70 HydrophobicContact CB-CH2 4.27Å; F65-W70 HydrophobicContact CB-CZ2 4.49Å; F65-W70 HydrophobicContact CB-CZ3 4.06Å; F65-W70 AromaticContact CD2-CD2 3.99Å; F65-W70 HydrophobicContact CD2-CD2 3.99Å; F65-W70 AromaticContact CD2-CE2 3.87Å; F65-W70 HydrophobicContact CD2-CG 4.15Å; F65-W70 HydrophobicContact CD2-CZ2 4.37Å; F65-W70 AromaticContact CD2-NE1 3.9Å |
| 66 | E | 84.6 | Confident | 79.8 | Confident | 115 Ų | 115 | 85.4 Ų | 85.4 | 54% | 0.537 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 136.4 | -179.4 | -171 | 168.9 | -152 | 0 | 0 | 108.9 | G68 Q69 I71 | E66-G68 PolarHBondContact O-N 3.06Å; E66-Q69 PolarHBondContact N-O 3.27Å; E66-Q69 PolarHBondContact O-N 3.49Å; E66-Q69 VanDerWaalsContact O-O 3.04Å; E66-I71 HydrophobicContact CB-CD1 3.92Å; E66-I71 HydrophobicContact CB-CG1 4.21Å; E66-I71 WeakPolarHBondContact OE2-CD1 3.44Å |
| 67 | D | 83 | Confident | 78.2 | Confident | 158 Ų | 158 | 87.8 Ų | 87.8 | 85% | 0.845 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | 35.8 | 179.2 | -63.5 | -29.5 | 0 | 0 | 0 | 115.6 | Q69 | D67-Q69 VanDerWaalsContact C-N 3.32Å; D67-Q69 PolarHBondContact O-N 2.95Å |
| 68 | G | 83.7 | Confident | 76.7 | Confident | 56 Ų | 56 | 85.9 Ų | 85.9 | 58% | 0.577 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82 | 5.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | F65 E66 | F65-G68 VanDerWaalsContact CE2-C 3.43Å; F65-G68 VanDerWaalsContact CZ-CA 3.4Å; E66-G68 PolarHBondContact O-N 3.06Å |
| 69 | Q | 82.9 | Confident | 75.6 | Confident | 138 Ų | 138 | 84.1 Ų | 84.1 | 65% | 0.645 | 51% | 0.51 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 147.2 | -177.3 | -59.9 | -174.1 | 10.8 | 0 | 0 | 112 | F65 E66 D67 I71 | F65-Q69 WeakPolarHBondContact CA-O 3.32Å; E66-Q69 PolarHBondContact N-O 3.27Å; E66-Q69 PolarHBondContact O-N 3.49Å; E66-Q69 VanDerWaalsContact O-O 3.04Å; D67-Q69 VanDerWaalsContact C-N 3.32Å; D67-Q69 PolarHBondContact O-N 2.95Å; Q69-I71 PolarHBondContact O-N 3.37Å |
| 70 | W | 84.9 | Confident | 75.1 | Confident | 118 Ų | 118 | 82.9 Ų | 82.9 | 45% | 0.447 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 109.4 | 170 | -72.8 | 102.2 | 0 | 0 | 0 | 109.5 | P54 M56 W63 K64 F65 | P54-W70 HydrophobicContact CB-CH2 3.84Å; P54-W70 HydrophobicContact CB-CZ3 4.49Å; P54-W70 WeakPolarHBondContact O-CZ3 3.42Å; M56-W70 HydrophobicContact CB-CZ3 4.29Å; W63-W70 HydrophobicContact CB-CE3 3.92Å; W63-W70 HydrophobicContact CB-CZ3 4.41Å; W63-W70 HydrophobicContact CE3-CB 3.82Å; W63-W70 HydrophobicContact CZ3-CB 4.28Å; K64-W70 CarbonylContact O-C 3.58Å; K64-W70 WeakPolarHBondContact O-CA 3.42Å; F65-W70 HydrophobicContact CB-CD2 4.35Å; F65-W70 HydrophobicContact CB-CE3 4.1Å; F65-W70 HydrophobicContact CB-CH2 4.27Å; F65-W70 HydrophobicContact CB-CZ2 4.49Å; F65-W70 HydrophobicContact CB-CZ3 4.06Å; F65-W70 AromaticContact CD2-CD2 3.99Å; F65-W70 HydrophobicContact CD2-CD2 3.99Å; F65-W70 AromaticContact CD2-CE2 3.87Å; F65-W70 HydrophobicContact CD2-CG 4.15Å; F65-W70 HydrophobicContact CD2-CZ2 4.37Å; F65-W70 AromaticContact CD2-NE1 3.9Å |
| 71 | I | 82.6 | Confident | 74.9 | Confident | 65 Ų | 65 | 86.6 Ų | 86.6 | 33% | 0.333 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 141.8 | 173.9 | 58.3 | 161.8 | 0 | 0 | 0 | 109.6 | W63 K64 E66 Q69 | W63-I71 CarbonylContact C-O 3.47Å; W63-I71 WeakPolarHBondContact CA-O 3.3Å; K64-I71 HydrophobicContact CB-CD1 4.4Å; K64-I71 HydrophobicContact CB-CG1 4.02Å; K64-I71 PolarHBondContact N-O 2.97Å; K64-I71 WeakPolarHBondContact O-CG1 3.29Å; K64-I71 PolarHBondContact O-N 3.42Å; E66-I71 HydrophobicContact CB-CD1 3.92Å; E66-I71 HydrophobicContact CB-CG1 4.21Å; E66-I71 WeakPolarHBondContact OE2-CD1 3.44Å; Q69-I71 PolarHBondContact O-N 3.37Å |
| 72 | T | 81.5 | Confident | 74.9 | Confident | 21 Ų | 21 | 86.6 Ų | 86.6 | 13% | 0.129 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 135 | 169.2 | 42.6 | 0 | 0 | 0 | 0 | 108.4 | S62 W63 S74 G75 G76 | S62-T72 WeakPolarHBondContact O-CA 3.5Å; W63-T72 HydrophobicContact CD2-CG2 3.43Å; W63-T72 VanDerWaalsContact CD2-CG2 3.43Å; W63-T72 HydrophobicContact CE3-CG2 3.52Å; W63-T72 HydrophobicContact CG-CG2 4.15Å; W63-T72 HydrophobicContact CH2-CG2 3.59Å; W63-T72 HydrophobicContact CZ2-CG2 3.44Å; W63-T72 VanDerWaalsContact CZ2-CG2 3.44Å; W63-T72 HydrophobicContact CZ3-CG2 3.63Å; T72-S74 PolarHBondContact O-N 2.94Å; T72-S74 VanDerWaalsContact O-N 3.15Å; T72-G75 PolarHBondContact O-N 3.5Å; T72-G75 PolarHBondContact OG1-N 2.9Å; T72-G76 PolarHBondContact OG1-N 2.82Å |
| 73 | E | 68.6 | Low | 74.8 | Confident | 119 Ų | 119 | 88 Ų | 88 | 56% | 0.556 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -26.5 | 169.5 | -69.6 | -165.4 | 136.4 | 0 | 0 | 111.1 | S62 K64 | S62-E73 WeakPolarHBondContact CB-OE2 3.38Å; S62-E73 PolarHBondContact O-N 3.1Å; K64-E73 HydrophobicContact CD-CG 3.92Å; K64-E73 WeakPolarHBondContact CE-OE1 3.27Å; K64-E73 HydrophobicContact CG-CG 4.23Å; K64-E73 IonicContact NZ-OE1 2.83Å; K64-E73 PolarHBondContact NZ-OE1 3.45Å |
| 74 | S | 61.8 | Low | 74.8 | Confident | 89 Ų | 89 | 90.5 Ų | 90.5 | 62% | 0.622 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.6 | 52.5 | 177.6 | -170.8 | 0 | 0 | 0 | 0 | 112.1 | T72 G76 | T72-S74 PolarHBondContact O-N 2.94Å; T72-S74 VanDerWaalsContact O-N 3.15Å; S74-G76 WeakPolarHBondContact O-CA 3.44Å; S74-G76 PolarHBondContact O-N 3.34Å |
| 75 | G | 55.6 | Low | 75 | Confident | 56 Ų | 56 | 92.4 Ų | 92.4 | 58% | 0.577 | 51% | 0.505 | S | S | * | . | trans | 40 | 37.1 | 157.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | T72 | T72-G75 PolarHBondContact O-N 3.5Å; T72-G75 PolarHBondContact OG1-N 2.9Å | ||
| 76 | G | 54.1 | Low | 75.4 | Confident | 18 Ų | 18 | 93 Ų | 93 | 19% | 0.186 | 51% | 0.511 | C | S | . | . | trans | -88.4 | 111.2 | -164.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | T72 S74 A78 | T72-G76 PolarHBondContact OG1-N 2.82Å; S74-G76 WeakPolarHBondContact O-CA 3.44Å; S74-G76 PolarHBondContact O-N 3.34Å; G76-A78 VanDerWaalsContact C-N 3.35Å; G76-A78 PolarHBondContact O-N 3.45Å | ||
| 77 | N | 54.5 | Low | 75.9 | Confident | 134 Ų | 134 | 94.5 Ų | 94.5 | 72% | 0.717 | 52% | 0.516 | S | S | * | . | S | Bend | trans | 56 | -42.1 | 155.9 | -68.7 | 14.2 | 0 | 0 | 0 | 121.4 | T80 K81 | N77-T80 WeakPolarHBondContact CA-OG1 3.5Å; N77-T80 PolarHBondContact N-OG1 3.33Å; N77-T80 PolarHBondContact O-N 3.03Å; N77-K81 PolarHBondContact O-N 3.38Å |
| 78 | A | 53.5 | Low | 76.6 | Confident | 85 Ų | 85 | 93.6 Ų | 93.6 | 70% | 0.702 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -71.6 | -42.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111 | G76 T80 | G76-A78 VanDerWaalsContact C-N 3.35Å; G76-A78 PolarHBondContact O-N 3.45Å; A78-T80 VanDerWaalsContact C-N 3.3Å; A78-T80 PolarHBondContact O-N 3Å |
| 79 | S | 64 | Low | 77.2 | Confident | 74 Ų | 74 | 97.9 Ų | 97.9 | 52% | 0.517 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.5 | -38.7 | 170.1 | 173.3 | 0 | 0 | 0 | 0 | 111.7 | K81 E82 V83 | S79-K81 PolarHBondContact O-N 3.35Å; S79-E82 PolarHBondContact O-N 3.27Å; S79-V83 VanDerWaalsContact O-CB 3.29Å; S79-V83 WeakPolarHBondContact O-CB 3.4Å; S79-V83 WeakPolarHBondContact O-CG2 3.39Å; S79-V83 PolarHBondContact O-N 2.86Å |
| 80 | T | 69.1 | Low | 77.9 | Confident | 56 Ų | 56 | 96.3 Ų | 96.3 | 34% | 0.344 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.3 | -40 | -175.2 | -40.3 | 0 | 0 | 0 | 0 | 113.2 | N77 A78 Q84 | N77-T80 WeakPolarHBondContact CA-OG1 3.5Å; N77-T80 PolarHBondContact N-OG1 3.33Å; N77-T80 PolarHBondContact O-N 3.03Å; A78-T80 VanDerWaalsContact C-N 3.3Å; A78-T80 PolarHBondContact O-N 3Å; T80-Q84 WeakPolarHBondContact O-CB 3.45Å; T80-Q84 VanDerWaalsContact O-CG 3.26Å; T80-Q84 WeakPolarHBondContact O-CG 3.36Å; T80-Q84 PolarHBondContact O-N 2.96Å |
| 81 | K | 79 | Confident | 78.6 | Confident | 163 Ų | 163 | 95.2 Ų | 95.2 | 71% | 0.709 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66.4 | -43.8 | 177.8 | -75.5 | -175 | 178.6 | 179.4 | 0 | 111.9 | N77 S79 Q84 R85 | N77-K81 PolarHBondContact O-N 3.38Å; S79-K81 PolarHBondContact O-N 3.35Å; K81-Q84 PolarHBondContact O-N 2.98Å; K81-R85 PolarHBondContact O-N 3.37Å |
| 82 | E | 81.6 | Confident | 79.3 | Confident | 83 Ų | 83 | 96.9 Ų | 96.9 | 39% | 0.388 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.6 | -41.5 | 177.9 | -177.8 | 55.3 | -160 | 0 | 0 | 111.1 | S79 Q84 R85 L86 | S79-E82 PolarHBondContact O-N 3.27Å; E82-Q84 VanDerWaalsContact C-N 3.33Å; E82-Q84 PolarHBondContact O-N 3.27Å; E82-R85 WeakPolarHBondContact O-CB 3.5Å; E82-R85 PolarHBondContact O-N 3.32Å; E82-R85 IonicContact OE1-CZ 3.34Å; E82-R85 IonicContact OE1-NE 2.84Å; E82-R85 PolarHBondContact OE1-NE 3.36Å; E82-R85 IonicContact OE1-NH2 3.59Å; E82-R85 PolarHBondContact OE1-NH2 3.47Å; E82-R85 IonicContact OE2-CZ 3.63Å; E82-R85 IonicContact OE2-NE 3.92Å; E82-R85 PolarHBondContact OE2-NE 2.93Å; E82-R85 IonicContact OE2-NH2 2.68Å; E82-L86 HydrophobicContact CG-CD1 4.15Å; E82-L86 HydrophobicContact CG-CG 4.49Å; E82-L86 WeakPolarHBondContact O-CB 3.49Å; E82-L86 VanDerWaalsContact O-CG 3.31Å; E82-L86 WeakPolarHBondContact O-CG 3.25Å; E82-L86 PolarHBondContact O-N 3.5Å |
| 83 | V | 84.3 | Confident | 80.1 | Confident | 58 Ų | 58 | 100.2 Ų | 100.2 | 35% | 0.352 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60 | -41.7 | 173.4 | 169.1 | 0 | 0 | 0 | 0 | 111.4 | S79 L86 K87 | S79-V83 VanDerWaalsContact O-CB 3.29Å; S79-V83 WeakPolarHBondContact O-CB 3.4Å; S79-V83 WeakPolarHBondContact O-CG2 3.39Å; S79-V83 PolarHBondContact O-N 2.86Å; V83-L86 PolarHBondContact O-N 2.97Å; V83-K87 HydrophobicContact CG1-CD 4.29Å; V83-K87 WeakPolarHBondContact O-CB 3.04Å; V83-K87 VanDerWaalsContact O-CG 3.3Å; V83-K87 WeakPolarHBondContact O-CG 3.47Å; V83-K87 PolarHBondContact O-N 3.09Å |
| 84 | Q | 87.4 | Confident | 81.5 | Confident | 126 Ų | 126 | 99.8 Ų | 99.8 | 59% | 0.589 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.5 | -42.4 | 175.2 | -78.6 | 178.7 | -8.2 | 0 | 0 | 112.2 | T80 K81 E82 K87 K88 | T80-Q84 WeakPolarHBondContact O-CB 3.45Å; T80-Q84 VanDerWaalsContact O-CG 3.26Å; T80-Q84 WeakPolarHBondContact O-CG 3.36Å; T80-Q84 PolarHBondContact O-N 2.96Å; K81-Q84 PolarHBondContact O-N 2.98Å; E82-Q84 VanDerWaalsContact C-N 3.33Å; E82-Q84 PolarHBondContact O-N 3.27Å; Q84-K87 PolarHBondContact O-N 2.99Å; Q84-K88 PolarHBondContact O-N 3.36Å |
| 85 | R | 92.5 | Very high | 83.3 | Confident | 133 Ų | 133 | 101.2 Ų | 101.2 | 50% | 0.502 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.4 | -45.5 | 176 | -169 | -172 | 74.7 | 88.7 | 2.7 | 111.3 | K81 E82 K88 R89 | K81-R85 PolarHBondContact O-N 3.37Å; E82-R85 WeakPolarHBondContact O-CB 3.5Å; E82-R85 PolarHBondContact O-N 3.32Å; E82-R85 IonicContact OE1-CZ 3.34Å; E82-R85 IonicContact OE1-NE 2.84Å; E82-R85 PolarHBondContact OE1-NE 3.36Å; E82-R85 IonicContact OE1-NH2 3.59Å; E82-R85 PolarHBondContact OE1-NH2 3.47Å; E82-R85 IonicContact OE2-CZ 3.63Å; E82-R85 IonicContact OE2-NE 3.92Å; E82-R85 PolarHBondContact OE2-NE 2.93Å; E82-R85 IonicContact OE2-NH2 2.68Å; R85-K88 PolarHBondContact O-N 3.32Å; R85-R89 PolarHBondContact O-N 3.43Å |
| 86 | L | 94.2 | Very high | 85.3 | Confident | 87 Ų | 87 | 103.8 Ų | 103.8 | 46% | 0.455 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.6 | -44.2 | 177.1 | -72 | 172.3 | 0 | 0 | 0 | 111.6 | E82 V83 K88 R89 N90 | E82-L86 HydrophobicContact CG-CD1 4.15Å; E82-L86 HydrophobicContact CG-CG 4.49Å; E82-L86 WeakPolarHBondContact O-CB 3.49Å; E82-L86 VanDerWaalsContact O-CG 3.31Å; E82-L86 WeakPolarHBondContact O-CG 3.25Å; E82-L86 PolarHBondContact O-N 3.5Å; V83-L86 PolarHBondContact O-N 2.97Å; L86-K88 VanDerWaalsContact C-N 3.35Å; L86-K88 PolarHBondContact O-N 3.23Å; L86-R89 PolarHBondContact O-N 3.29Å; L86-N90 WeakPolarHBondContact O-CB 3.43Å; L86-N90 PolarHBondContact O-N 2.88Å |
| 87 | K | 95.6 | Very high | 87.5 | Confident | 147 Ų | 147 | 106.5 Ų | 106.5 | 64% | 0.639 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -58.3 | -45.3 | 174.8 | -78.4 | -178.6 | 179.4 | -172.4 | 0 | 112.1 | V83 Q84 R89 N90 L91 | V83-K87 HydrophobicContact CG1-CD 4.29Å; V83-K87 WeakPolarHBondContact O-CB 3.04Å; V83-K87 VanDerWaalsContact O-CG 3.3Å; V83-K87 WeakPolarHBondContact O-CG 3.47Å; V83-K87 PolarHBondContact O-N 3.09Å; Q84-K87 PolarHBondContact O-N 2.99Å; K87-R89 PolarHBondContact O-N 2.94Å; K87-N90 PolarHBondContact O-N 2.88Å; K87-L91 PolarHBondContact O-N 3.44Å |
| 88 | K | 96.8 | Very high | 89.6 | Confident | 140 Ų | 140 | 104 Ų | 104 | 61% | 0.609 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.4 | -43.5 | 177.3 | -172.9 | 177.6 | -179 | 179.3 | 0 | 111.7 | Q84 R85 L86 N90 L91 Q92 | Q84-K88 PolarHBondContact O-N 3.36Å; R85-K88 PolarHBondContact O-N 3.32Å; L86-K88 VanDerWaalsContact C-N 3.35Å; L86-K88 PolarHBondContact O-N 3.23Å; K88-N90 VanDerWaalsContact C-N 3.34Å; K88-L91 PolarHBondContact O-N 2.89Å; K88-Q92 WeakPolarHBondContact O-CG 3.38Å; K88-Q92 PolarHBondContact O-N 3.39Å; K88-Q92 VanDerWaalsContact O-N 3.09Å |
| 89 | R | 97.3 | Very high | 91.7 | Very high | 146 Ų | 146 | 104.4 Ų | 104.4 | 55% | 0.551 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.3 | -39 | 177.6 | -170.9 | 174.2 | -176.9 | 90.6 | -0.7 | 111.8 | R85 L86 K87 Q92 L93 | R85-R89 PolarHBondContact O-N 3.43Å; L86-R89 PolarHBondContact O-N 3.29Å; K87-R89 PolarHBondContact O-N 2.94Å; R89-Q92 PolarHBondContact O-N 2.96Å; R89-L93 HydrophobicContact CG-CD1 4.2Å; R89-L93 VanDerWaalsContact O-CG 3.29Å; R89-L93 WeakPolarHBondContact O-CG 3.26Å; R89-L93 PolarHBondContact O-N 3.01Å |
| 90 | N | 97.6 | Very high | 93.4 | Very high | 105 Ų | 105 | 104.9 Ų | 104.9 | 56% | 0.561 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.9 | -45.6 | 178.2 | -157.6 | -35.2 | 0 | 0 | 0 | 111 | L86 K87 K88 Q92 L93 E94 | L86-N90 WeakPolarHBondContact O-CB 3.43Å; L86-N90 PolarHBondContact O-N 2.88Å; K87-N90 PolarHBondContact O-N 2.88Å; K88-N90 VanDerWaalsContact C-N 3.34Å; N90-Q92 VanDerWaalsContact C-N 3.35Å; N90-Q92 PolarHBondContact O-N 3.47Å; N90-L93 PolarHBondContact O-N 2.95Å; N90-L93 VanDerWaalsContact O-N 3.16Å; N90-E94 WeakPolarHBondContact O-CB 3.35Å; N90-E94 PolarHBondContact O-N 2.99Å |
| 91 | L | 98.3 | Very high | 94.8 | Very high | 95 Ų | 95 | 107.6 Ų | 107.6 | 50% | 0.497 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -57.9 | -45.6 | 174.9 | -175.8 | 64.1 | 0 | 0 | 0 | 112.3 | K87 K88 L93 E94 E95 | K87-L91 PolarHBondContact O-N 3.44Å; K88-L91 PolarHBondContact O-N 2.89Å; L91-L93 VanDerWaalsContact C-N 3.34Å; L91-L93 PolarHBondContact O-N 2.98Å; L91-E94 PolarHBondContact O-N 3.37Å; L91-E95 WeakPolarHBondContact O-CG 3.25Å; L91-E95 PolarHBondContact O-N 3.16Å |
| 92 | Q | 98.3 | Very high | 95.7 | Very high | 100 Ų | 100 | 102.8 Ų | 102.8 | 47% | 0.467 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.1 | -41.9 | 176.6 | -73.4 | 176.2 | -15 | 0 | 0 | 112.4 | K88 R89 N90 E94 E95 E96 | K88-Q92 WeakPolarHBondContact O-CG 3.38Å; K88-Q92 PolarHBondContact O-N 3.39Å; K88-Q92 VanDerWaalsContact O-N 3.09Å; R89-Q92 PolarHBondContact O-N 2.96Å; N90-Q92 VanDerWaalsContact C-N 3.35Å; N90-Q92 PolarHBondContact O-N 3.47Å; Q92-E94 VanDerWaalsContact C-N 3.32Å; Q92-E95 PolarHBondContact O-N 3.44Å; Q92-E96 WeakPolarHBondContact O-CB 3.36Å; Q92-E96 PolarHBondContact O-N 3.47Å |
| 93 | L | 98.6 | Very high | 96.5 | Very high | 90 Ų | 90 | 104.2 Ų | 104.2 | 47% | 0.471 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.5 | -36.1 | 177.3 | -73.5 | 169.3 | 0 | 0 | 0 | 111.8 | R89 N90 L91 N97 | R89-L93 HydrophobicContact CG-CD1 4.2Å; R89-L93 VanDerWaalsContact O-CG 3.29Å; R89-L93 WeakPolarHBondContact O-CG 3.26Å; R89-L93 PolarHBondContact O-N 3.01Å; N90-L93 PolarHBondContact O-N 2.95Å; N90-L93 VanDerWaalsContact O-N 3.16Å; L91-L93 VanDerWaalsContact C-N 3.34Å; L91-L93 PolarHBondContact O-N 2.98Å; L93-N97 VanDerWaalsContact O-CB 3.25Å; L93-N97 WeakPolarHBondContact O-CB 3.42Å; L93-N97 PolarHBondContact O-N 3.45Å |
| 94 | E | 98.5 | Very high | 97.2 | Very high | 111 Ų | 111 | 106.5 Ų | 106.5 | 52% | 0.519 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.3 | -44.4 | 176.2 | -171.6 | 173.9 | -169.4 | 0 | 0 | 111.6 | N90 L91 Q92 N97 N98 | N90-E94 WeakPolarHBondContact O-CB 3.35Å; N90-E94 PolarHBondContact O-N 2.99Å; L91-E94 PolarHBondContact O-N 3.37Å; Q92-E94 VanDerWaalsContact C-N 3.32Å; E94-N97 PolarHBondContact O-N 2.88Å; E94-N98 WeakPolarHBondContact O-CB 3.29Å; E94-N98 VanDerWaalsContact O-CG 3.24Å; E94-N98 PolarHBondContact O-N 3.49Å; E94-N98 PolarHBondContact O-ND2 2.89Å |
| 95 | E | 98.5 | Very high | 97.8 | Very high | 118 Ų | 118 | 106.4 Ų | 106.4 | 55% | 0.551 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.5 | -45.6 | 173.6 | -72.5 | 174.2 | 174.9 | 0 | 0 | 111.9 | L91 Q92 N97 N98 L99 | L91-E95 WeakPolarHBondContact O-CG 3.25Å; L91-E95 PolarHBondContact O-N 3.16Å; Q92-E95 PolarHBondContact O-N 3.44Å; E95-N97 VanDerWaalsContact C-N 3.35Å; E95-N97 PolarHBondContact O-N 3.32Å; E95-N98 PolarHBondContact O-N 2.84Å; E95-L99 WeakPolarHBondContact O-CB 3.43Å; E95-L99 PolarHBondContact O-N 3.09Å |
| 96 | E | 98.4 | Very high | 98.1 | Very high | 110 Ų | 110 | 104 Ų | 104 | 51% | 0.514 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.7 | -42.1 | 176 | -173.6 | 178 | 178.4 | 0 | 0 | 111.3 | Q92 N98 L99 L100 | Q92-E96 WeakPolarHBondContact O-CB 3.36Å; Q92-E96 PolarHBondContact O-N 3.47Å; E96-N98 PolarHBondContact O-N 3.25Å; E96-L99 PolarHBondContact O-N 3.4Å; E96-L100 HydrophobicContact CG-CD1 4.13Å; E96-L100 HydrophobicContact CG-CG 4.45Å; E96-L100 WeakPolarHBondContact O-CB 3.3Å; E96-L100 VanDerWaalsContact O-CG 3.26Å; E96-L100 WeakPolarHBondContact O-CG 3.41Å; E96-L100 PolarHBondContact O-N 3.41Å |
| 97 | N | 98.7 | Very high | 98.3 | Very high | 76 Ų | 76 | 104.9 Ų | 104.9 | 41% | 0.406 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.8 | -43.8 | 177.3 | -167.8 | -91.7 | 0 | 0 | 0 | 111.9 | L93 E94 E95 L100 K101 | L93-N97 VanDerWaalsContact O-CB 3.25Å; L93-N97 WeakPolarHBondContact O-CB 3.42Å; L93-N97 PolarHBondContact O-N 3.45Å; E94-N97 PolarHBondContact O-N 2.88Å; E95-N97 VanDerWaalsContact C-N 3.35Å; E95-N97 PolarHBondContact O-N 3.32Å; N97-L100 PolarHBondContact O-N 3.29Å; N97-K101 WeakPolarHBondContact O-CG 3.15Å; N97-K101 PolarHBondContact O-N 3.45Å; N97-K101 WeakPolarHBondContact OD1-CE 3.29Å; N97-K101 PolarHBondContact OD1-NZ 2.83Å |
| 98 | N | 98.6 | Very high | 98.4 | Very high | 80 Ų | 80 | 102.9 Ų | 102.9 | 43% | 0.428 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.4 | -43.6 | 177 | -69.9 | -21.9 | 0 | 0 | 0 | 111.3 | E94 E95 E96 L100 K101 S102 | E94-N98 WeakPolarHBondContact O-CB 3.29Å; E94-N98 VanDerWaalsContact O-CG 3.24Å; E94-N98 PolarHBondContact O-N 3.49Å; E94-N98 PolarHBondContact O-ND2 2.89Å; E95-N98 PolarHBondContact O-N 2.84Å; E96-N98 PolarHBondContact O-N 3.25Å; N98-L100 VanDerWaalsContact C-N 3.35Å; N98-L100 PolarHBondContact O-N 2.99Å; N98-K101 WeakPolarHBondContact O-CB 3.38Å; N98-K101 PolarHBondContact O-N 3.39Å; N98-S102 PolarHBondContact O-N 2.97Å; N98-S102 PolarHBondContact O-OG 3.19Å |
| 99 | L | 98.7 | Very high | 98.5 | Very high | 95 Ų | 95 | 101.6 Ų | 101.6 | 50% | 0.497 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.4 | -44 | 175.1 | 177.7 | 63.3 | 0 | 0 | 0 | 111.9 | E95 E96 K101 S102 K103 | E95-L99 WeakPolarHBondContact O-CB 3.43Å; E95-L99 PolarHBondContact O-N 3.09Å; E96-L99 PolarHBondContact O-N 3.4Å; L99-K101 VanDerWaalsContact C-N 3.33Å; L99-S102 PolarHBondContact O-N 3.29Å; L99-K103 HydrophobicContact CG-CD 4.41Å; L99-K103 WeakPolarHBondContact O-CG 3.26Å; L99-K103 PolarHBondContact O-N 3.41Å |
| 100 | L | 98.8 | Very high | 98.6 | Very high | 84 Ų | 84 | 99.6 Ų | 99.6 | 44% | 0.44 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.8 | -40.6 | 178 | -73.3 | 171.5 | 0 | 0 | 0 | 111.6 | E96 N97 N98 K103 I104 | E96-L100 HydrophobicContact CG-CD1 4.13Å; E96-L100 HydrophobicContact CG-CG 4.45Å; E96-L100 WeakPolarHBondContact O-CB 3.3Å; E96-L100 VanDerWaalsContact O-CG 3.26Å; E96-L100 WeakPolarHBondContact O-CG 3.41Å; E96-L100 PolarHBondContact O-N 3.41Å; N97-L100 PolarHBondContact O-N 3.29Å; N98-L100 VanDerWaalsContact C-N 3.35Å; N98-L100 PolarHBondContact O-N 2.99Å; L100-K103 PolarHBondContact O-N 3.47Å; L100-I104 WeakPolarHBondContact O-CG1 3.31Å; L100-I104 PolarHBondContact O-N 2.77Å |
| 101 | K | 98.7 | Very high | 98.6 | Very high | 112 Ų | 112 | 99.6 Ų | 99.6 | 49% | 0.487 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.1 | -49.6 | 174.2 | -75.5 | 170 | 175.5 | 159.5 | 0 | 111.8 | N97 N98 L99 K103 I104 E105 | N97-K101 WeakPolarHBondContact O-CG 3.15Å; N97-K101 PolarHBondContact O-N 3.45Å; N97-K101 WeakPolarHBondContact OD1-CE 3.29Å; N97-K101 PolarHBondContact OD1-NZ 2.83Å; N98-K101 WeakPolarHBondContact O-CB 3.38Å; N98-K101 PolarHBondContact O-N 3.39Å; L99-K101 VanDerWaalsContact C-N 3.33Å; K101-K103 VanDerWaalsContact C-N 3.3Å; K101-K103 PolarHBondContact O-N 3.35Å; K101-I104 WeakPolarHBondContact O-CB 3.39Å; K101-I104 PolarHBondContact O-N 3.35Å; K101-I104 VanDerWaalsContact O-N 3.09Å; K101-E105 PolarHBondContact O-N 3.4Å |
| 102 | S | 98.7 | Very high | 98.6 | Very high | 62 Ų | 62 | 98.9 Ų | 98.9 | 43% | 0.434 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.9 | -36.4 | 177.4 | -59.8 | 0 | 0 | 0 | 0 | 112.7 | N98 L99 I104 E105 V106 | N98-S102 PolarHBondContact O-N 2.97Å; N98-S102 PolarHBondContact O-OG 3.19Å; L99-S102 PolarHBondContact O-N 3.29Å; S102-I104 VanDerWaalsContact C-N 3.35Å; S102-E105 PolarHBondContact O-N 2.84Å; S102-V106 WeakPolarHBondContact O-CG2 3.48Å; S102-V106 PolarHBondContact O-N 2.61Å |
| 103 | K | 98.7 | Very high | 98.6 | Very high | 114 Ų | 114 | 99.9 Ų | 99.9 | 50% | 0.496 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.4 | -40.9 | 173.6 | -75.9 | 176.7 | 178.1 | 179.8 | 0 | 112.1 | L99 L100 K101 L107 | L99-K103 HydrophobicContact CG-CD 4.41Å; L99-K103 WeakPolarHBondContact O-CG 3.26Å; L99-K103 PolarHBondContact O-N 3.41Å; L100-K103 PolarHBondContact O-N 3.47Å; K101-K103 VanDerWaalsContact C-N 3.3Å; K101-K103 PolarHBondContact O-N 3.35Å; K103-L107 WeakPolarHBondContact O-CB 3.43Å; K103-L107 VanDerWaalsContact O-CG 3.25Å; K103-L107 WeakPolarHBondContact O-CG 3.46Å; K103-L107 PolarHBondContact O-N 3.15Å |
| 104 | I | 98.8 | Very high | 98.6 | Very high | 105 Ų | 105 | 99.7 Ų | 99.7 | 54% | 0.538 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.1 | -45 | 176.1 | -71.5 | 161.6 | 0 | 0 | 0 | 110.2 | L100 K101 S102 V106 L107 M108 | L100-I104 WeakPolarHBondContact O-CG1 3.31Å; L100-I104 PolarHBondContact O-N 2.77Å; K101-I104 WeakPolarHBondContact O-CB 3.39Å; K101-I104 PolarHBondContact O-N 3.35Å; K101-I104 VanDerWaalsContact O-N 3.09Å; S102-I104 VanDerWaalsContact C-N 3.35Å; I104-V106 PolarHBondContact O-N 2.82Å; I104-L107 PolarHBondContact O-N 2.81Å; I104-M108 HydrophobicContact CG2-CG 4.32Å; I104-M108 VanDerWaalsContact O-CG 3.29Å; I104-M108 WeakPolarHBondContact O-CG 2.9Å; I104-M108 PolarHBondContact O-N 2.92Å |
| 105 | E | 98.7 | Very high | 98.6 | Very high | 124 Ų | 124 | 97.9 Ų | 97.9 | 58% | 0.579 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -57.4 | -50.8 | 177.4 | -73.1 | 172.5 | 173.6 | 0 | 0 | 111.7 | K101 S102 L107 M108 D109 | K101-E105 PolarHBondContact O-N 3.4Å; S102-E105 PolarHBondContact O-N 2.84Å; E105-L107 VanDerWaalsContact C-N 3.33Å; E105-L107 PolarHBondContact O-N 2.82Å; E105-M108 WeakPolarHBondContact O-CB 3.4Å; E105-M108 PolarHBondContact O-N 2.84Å; E105-M108 VanDerWaalsContact O-N 3.1Å; E105-D109 PolarHBondContact O-N 3.34Å |
| 106 | V | 98.6 | Very high | 98.6 | Very high | 84 Ų | 84 | 96.1 Ų | 96.1 | 51% | 0.509 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.8 | -42.1 | 177.9 | 173.4 | 0 | 0 | 0 | 0 | 111.7 | S102 I104 M108 D109 M110 | S102-V106 WeakPolarHBondContact O-CG2 3.48Å; S102-V106 PolarHBondContact O-N 2.61Å; I104-V106 PolarHBondContact O-N 2.82Å; V106-M108 VanDerWaalsContact C-N 3.29Å; V106-M108 PolarHBondContact O-N 2.95Å; V106-D109 PolarHBondContact O-N 2.79Å; V106-M110 HydrophobicContact CG1-CG 4.39Å; V106-M110 HydrophobicContact CG1-SD 4.13Å; V106-M110 VanDerWaalsContact O-CG 3.3Å; V106-M110 WeakPolarHBondContact O-CG 3.2Å; V106-M110 PolarHBondContact O-N 2.68Å |
| 107 | L | 98.8 | Very high | 98.6 | Very high | 104 Ų | 104 | 96.4 Ų | 96.4 | 55% | 0.545 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.9 | -35.9 | 177.4 | -74.8 | 171.8 | 0 | 0 | 0 | 112 | K103 I104 E105 M110 L111 | K103-L107 WeakPolarHBondContact O-CB 3.43Å; K103-L107 VanDerWaalsContact O-CG 3.25Å; K103-L107 WeakPolarHBondContact O-CG 3.46Å; K103-L107 PolarHBondContact O-N 3.15Å; I104-L107 PolarHBondContact O-N 2.81Å; E105-L107 VanDerWaalsContact C-N 3.33Å; E105-L107 PolarHBondContact O-N 2.82Å; L107-M110 PolarHBondContact O-N 3.4Å; L107-L111 WeakPolarHBondContact O-CB 3.42Å; L107-L111 VanDerWaalsContact O-CG 3.27Å; L107-L111 WeakPolarHBondContact O-CG 3.08Å; L107-L111 PolarHBondContact O-N 3.05Å |
| 108 | M | 98.8 | Very high | 98.6 | Very high | 105 Ų | 105 | 99.2 Ų | 99.2 | 52% | 0.517 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.3 | -40.1 | 175 | -72 | -59 | -60 | 0 | 0 | 111.9 | I104 E105 V106 L111 T112 | I104-M108 HydrophobicContact CG2-CG 4.32Å; I104-M108 VanDerWaalsContact O-CG 3.29Å; I104-M108 WeakPolarHBondContact O-CG 2.9Å; I104-M108 PolarHBondContact O-N 2.92Å; E105-M108 WeakPolarHBondContact O-CB 3.4Å; E105-M108 PolarHBondContact O-N 2.84Å; E105-M108 VanDerWaalsContact O-N 3.1Å; V106-M108 VanDerWaalsContact C-N 3.29Å; V106-M108 PolarHBondContact O-N 2.95Å; M108-L111 PolarHBondContact O-N 2.94Å; M108-L111 HydrophobicContact SD-CD1 4.41Å; M108-T112 WeakPolarHBondContact O-CB 3.18Å; M108-T112 PolarHBondContact O-N 2.77Å; M108-T112 PolarHBondContact O-OG1 2.78Å |
| 109 | D | 98.6 | Very high | 98.5 | Very high | 113 Ų | 113 | 100.6 Ų | 100.6 | 60% | 0.604 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.6 | -48.2 | 174.2 | -70 | -18.7 | 0 | 0 | 0 | 110.7 | E105 V106 L111 T112 E113 | E105-D109 PolarHBondContact O-N 3.34Å; V106-D109 PolarHBondContact O-N 2.79Å; D109-L111 PolarHBondContact O-N 3.06Å; D109-T112 WeakPolarHBondContact O-CB 3.36Å; D109-T112 PolarHBondContact O-N 3.41Å; D109-T112 VanDerWaalsContact O-N 3.15Å; D109-E113 WeakPolarHBondContact O-CB 3.34Å; D109-E113 PolarHBondContact O-N 3.26Å |
| 110 | M | 98.7 | Very high | 98.5 | Very high | 105 Ų | 105 | 100.8 Ų | 100.8 | 52% | 0.517 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.1 | -40.5 | 178.4 | -68.9 | 179.6 | 73.5 | 0 | 0 | 112.8 | V106 L107 T112 T114 | V106-M110 HydrophobicContact CG1-CG 4.39Å; V106-M110 HydrophobicContact CG1-SD 4.13Å; V106-M110 VanDerWaalsContact O-CG 3.3Å; V106-M110 WeakPolarHBondContact O-CG 3.2Å; V106-M110 PolarHBondContact O-N 2.68Å; L107-M110 PolarHBondContact O-N 3.4Å; M110-T112 VanDerWaalsContact C-N 3.32Å; M110-T114 WeakPolarHBondContact O-CB 3.14Å; M110-T114 PolarHBondContact O-N 3.25Å; M110-T114 PolarHBondContact O-OG1 2.85Å |
| 111 | L | 98.8 | Very high | 98.4 | Very high | 105 Ų | 105 | 102.2 Ų | 102.2 | 55% | 0.55 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.8 | -39.6 | 175.4 | -79.1 | 169.9 | 0 | 0 | 0 | 111.5 | L107 M108 D109 T115 | L107-L111 WeakPolarHBondContact O-CB 3.42Å; L107-L111 VanDerWaalsContact O-CG 3.27Å; L107-L111 WeakPolarHBondContact O-CG 3.08Å; L107-L111 PolarHBondContact O-N 3.05Å; M108-L111 PolarHBondContact O-N 2.94Å; M108-L111 HydrophobicContact SD-CD1 4.41Å; D109-L111 PolarHBondContact O-N 3.06Å; L111-T115 VanDerWaalsContact O-CB 3.32Å; L111-T115 WeakPolarHBondContact O-CB 3.22Å; L111-T115 PolarHBondContact O-N 2.96Å; L111-T115 PolarHBondContact O-OG1 2.87Å |
| 112 | T | 98.5 | Very high | 98.4 | Very high | 80 Ų | 80 | 101.7 Ų | 101.7 | 49% | 0.491 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67 | -45.5 | 178 | -57.3 | 0 | 0 | 0 | 0 | 110.6 | M108 D109 M110 T115 V116 | M108-T112 WeakPolarHBondContact O-CB 3.18Å; M108-T112 PolarHBondContact O-N 2.77Å; M108-T112 PolarHBondContact O-OG1 2.78Å; D109-T112 WeakPolarHBondContact O-CB 3.36Å; D109-T112 PolarHBondContact O-N 3.41Å; D109-T112 VanDerWaalsContact O-N 3.15Å; M110-T112 VanDerWaalsContact C-N 3.32Å; T112-T115 PolarHBondContact O-N 3.5Å; T112-V116 WeakPolarHBondContact O-CG2 3.48Å; T112-V116 PolarHBondContact O-N 3.04Å |
| 113 | E | 98.4 | Very high | 98.3 | Very high | 121 Ų | 121 | 105 Ų | 105 | 57% | 0.565 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -57.4 | -51.6 | 175.3 | -176.7 | 172.7 | -151.9 | 0 | 0 | 111.4 | D109 T115 V116 E117 | D109-E113 WeakPolarHBondContact O-CB 3.34Å; D109-E113 PolarHBondContact O-N 3.26Å; E113-T115 VanDerWaalsContact C-N 3.26Å; E113-T115 PolarHBondContact O-N 2.57Å; E113-V116 PolarHBondContact O-N 2.97Å; E113-V116 VanDerWaalsContact O-N 3.1Å; E113-E117 WeakPolarHBondContact O-CG 3.47Å; E113-E117 PolarHBondContact O-N 3.19Å |
| 114 | T | 98.3 | Very high | 98.2 | Very high | 85 Ų | 85 | 105.6 Ų | 105.6 | 52% | 0.521 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.4 | -39.1 | 177.9 | -54.3 | 0 | 0 | 0 | 0 | 111.6 | M110 Y118 | M110-T114 WeakPolarHBondContact O-CB 3.14Å; M110-T114 PolarHBondContact O-N 3.25Å; M110-T114 PolarHBondContact O-OG1 2.85Å; T114-Y118 WeakPolarHBondContact O-CB 3.46Å; T114-Y118 PolarHBondContact O-N 3.48Å |
| 115 | T | 98.4 | Very high | 98.1 | Very high | 74 Ų | 74 | 104.5 Ų | 104.5 | 45% | 0.454 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.2 | -41.7 | 178 | -60.1 | 0 | 0 | 0 | 0 | 110.9 | L111 T112 E113 Y118 H119 | L111-T115 VanDerWaalsContact O-CB 3.32Å; L111-T115 WeakPolarHBondContact O-CB 3.22Å; L111-T115 PolarHBondContact O-N 2.96Å; L111-T115 PolarHBondContact O-OG1 2.87Å; T112-T115 PolarHBondContact O-N 3.5Å; E113-T115 VanDerWaalsContact C-N 3.26Å; E113-T115 PolarHBondContact O-N 2.57Å; T115-Y118 PolarHBondContact O-N 2.56Å; T115-H119 PolarHBondContact O-N 3.1Å; T115-H119 VanDerWaalsContact O-N 3.16Å; T115-H119 PolarHBondContact O-ND1 3.19Å |
| 116 | V | 98.4 | Very high | 97.9 | Very high | 81 Ų | 81 | 102.9 Ų | 102.9 | 49% | 0.491 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.5 | -46.4 | 176.7 | 170.7 | 0 | 0 | 0 | 0 | 111.1 | T112 E113 Y118 H119 L120 | T112-V116 WeakPolarHBondContact O-CG2 3.48Å; T112-V116 PolarHBondContact O-N 3.04Å; E113-V116 PolarHBondContact O-N 2.97Å; E113-V116 VanDerWaalsContact O-N 3.1Å; V116-Y118 VanDerWaalsContact C-N 3.3Å; V116-Y118 PolarHBondContact O-N 3.09Å; V116-H119 PolarHBondContact O-N 3.21Å; V116-L120 HydrophobicContact CG1-CD1 4.03Å; V116-L120 HydrophobicContact CG1-CG 4.45Å; V116-L120 WeakPolarHBondContact O-CG 3.37Å; V116-L120 PolarHBondContact O-N 3.38Å |
| 117 | E | 97.9 | Very high | 97.8 | Very high | 116 Ų | 116 | 102.8 Ų | 102.8 | 54% | 0.542 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -57.2 | -43.9 | 176.5 | -71.7 | -175.5 | 160.8 | 0 | 0 | 111.9 | E113 H119 L120 M121 | E113-E117 WeakPolarHBondContact O-CG 3.47Å; E113-E117 PolarHBondContact O-N 3.19Å; E117-H119 PolarHBondContact O-N 3.02Å; E117-L120 PolarHBondContact O-N 3.13Å; E117-M121 PolarHBondContact O-N 3.27Å |
| 118 | Y | 98.1 | Very high | 97.5 | Very high | 134 Ų | 134 | 104.4 Ų | 104.4 | 53% | 0.525 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58.4 | -48.4 | 176.5 | 176.9 | -90.1 | 0 | 0 | 0 | 112.2 | T114 T115 V116 L120 M121 E122 | T114-Y118 WeakPolarHBondContact O-CB 3.46Å; T114-Y118 PolarHBondContact O-N 3.48Å; T115-Y118 PolarHBondContact O-N 2.56Å; V116-Y118 VanDerWaalsContact C-N 3.3Å; V116-Y118 PolarHBondContact O-N 3.09Å; Y118-L120 VanDerWaalsContact C-N 3.33Å; Y118-L120 PolarHBondContact O-N 3.44Å; Y118-M121 PolarHBondContact O-N 3.28Å; Y118-E122 WeakPolarHBondContact O-CB 3.43Å; Y118-E122 PolarHBondContact O-N 3.12Å |
| 119 | H | 98.1 | Very high | 97.3 | Very high | 109 Ų | 109 | 104.6 Ų | 104.6 | 51% | 0.505 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.8 | -34 | -180 | -73.6 | 83.6 | 0 | 0 | 0 | 112.4 | T115 V116 E117 K123 | T115-H119 PolarHBondContact O-N 3.1Å; T115-H119 VanDerWaalsContact O-N 3.16Å; T115-H119 PolarHBondContact O-ND1 3.19Å; V116-H119 PolarHBondContact O-N 3.21Å; E117-H119 PolarHBondContact O-N 3.02Å; H119-K123 WeakPolarHBondContact O-CB 3.38Å; H119-K123 PolarHBondContact O-N 3.49Å |
| 120 | L | 97.9 | Very high | 97 | Very high | 100 Ų | 100 | 101.2 Ų | 101.2 | 52% | 0.524 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.9 | -47.3 | 173.8 | -74.4 | 171.3 | 0 | 0 | 0 | 111 | V116 E117 Y118 E122 K123 E124 | V116-L120 HydrophobicContact CG1-CD1 4.03Å; V116-L120 HydrophobicContact CG1-CG 4.45Å; V116-L120 WeakPolarHBondContact O-CG 3.37Å; V116-L120 PolarHBondContact O-N 3.38Å; E117-L120 PolarHBondContact O-N 3.13Å; Y118-L120 VanDerWaalsContact C-N 3.33Å; Y118-L120 PolarHBondContact O-N 3.44Å; L120-E122 PolarHBondContact O-N 3.25Å; L120-K123 PolarHBondContact O-N 2.94Å; L120-E124 WeakPolarHBondContact O-CG 3.35Å; L120-E124 PolarHBondContact O-N 3.05Å |
| 121 | M | 97.2 | Very high | 96.6 | Very high | 114 Ų | 114 | 100.5 Ų | 100.5 | 56% | 0.562 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.4 | -40.3 | 178.7 | -167.6 | 170.1 | 77.2 | 0 | 0 | 112.1 | E117 Y118 K123 E124 I125 | E117-M121 PolarHBondContact O-N 3.27Å; Y118-M121 PolarHBondContact O-N 3.28Å; M121-K123 VanDerWaalsContact C-N 3.32Å; M121-K123 PolarHBondContact O-N 3.37Å; M121-E124 PolarHBondContact O-N 2.97Å; M121-I125 HydrophobicContact CG-CD1 4.3Å; M121-I125 VanDerWaalsContact O-CG1 3.32Å; M121-I125 WeakPolarHBondContact O-CG1 3.39Å; M121-I125 PolarHBondContact O-N 3.19Å |
| 122 | E | 97.2 | Very high | 96.1 | Very high | 101 Ų | 101 | 101.4 Ų | 101.4 | 47% | 0.472 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.2 | -42.9 | 175.3 | -174.2 | 173.6 | -145.8 | 0 | 0 | 111.5 | Y118 L120 I125 E126 | Y118-E122 WeakPolarHBondContact O-CB 3.43Å; Y118-E122 PolarHBondContact O-N 3.12Å; L120-E122 PolarHBondContact O-N 3.25Å; E122-I125 PolarHBondContact O-N 3.27Å; E122-E126 PolarHBondContact O-N 2.83Å; E122-E126 VanDerWaalsContact O-N 3.07Å |
| 123 | K | 97.2 | Very high | 95.4 | Very high | 131 Ų | 131 | 106.6 Ų | 106.6 | 57% | 0.57 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.8 | -45 | 176.6 | -174.4 | -177.8 | 176.9 | -174.6 | 0 | 112.4 | H119 L120 M121 I125 E126 D127 | H119-K123 WeakPolarHBondContact O-CB 3.38Å; H119-K123 PolarHBondContact O-N 3.49Å; L120-K123 PolarHBondContact O-N 2.94Å; M121-K123 VanDerWaalsContact C-N 3.32Å; M121-K123 PolarHBondContact O-N 3.37Å; K123-I125 VanDerWaalsContact C-N 3.3Å; K123-I125 PolarHBondContact O-N 2.74Å; K123-E126 PolarHBondContact O-N 3.47Å; K123-E126 VanDerWaalsContact O-N 3.16Å; K123-D127 WeakPolarHBondContact O-CB 3.47Å; K123-D127 PolarHBondContact O-N 3.43Å |
| 124 | E | 96.7 | Very high | 94.5 | Very high | 127 Ų | 127 | 109.9 Ų | 109.9 | 59% | 0.593 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59.5 | -41.5 | 177.2 | -75 | -178.8 | 180 | 0 | 0 | 111.9 | L120 M121 E126 D127 M128 | L120-E124 WeakPolarHBondContact O-CG 3.35Å; L120-E124 PolarHBondContact O-N 3.05Å; M121-E124 PolarHBondContact O-N 2.97Å; E124-E126 VanDerWaalsContact C-N 3.35Å; E124-D127 PolarHBondContact O-N 3.1Å; E124-M128 WeakPolarHBondContact O-CB 3.13Å; E124-M128 VanDerWaalsContact O-CG 3.24Å; E124-M128 WeakPolarHBondContact O-CG 3.17Å; E124-M128 PolarHBondContact O-N 3.07Å |
| 125 | I | 96.5 | Very high | 93.3 | Very high | 82 Ų | 82 | 114.4 Ų | 114.4 | 42% | 0.421 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.8 | -44.1 | 175.5 | -70.8 | 168.4 | 0 | 0 | 0 | 110.7 | M121 E122 K123 M128 K129 | M121-I125 HydrophobicContact CG-CD1 4.3Å; M121-I125 VanDerWaalsContact O-CG1 3.32Å; M121-I125 WeakPolarHBondContact O-CG1 3.39Å; M121-I125 PolarHBondContact O-N 3.19Å; E122-I125 PolarHBondContact O-N 3.27Å; K123-I125 VanDerWaalsContact C-N 3.3Å; K123-I125 PolarHBondContact O-N 2.74Å; I125-M128 PolarHBondContact O-N 3.09Å; I125-K129 HydrophobicContact CG2-CD 4.32Å; I125-K129 WeakPolarHBondContact O-CG 3.18Å; I125-K129 PolarHBondContact O-N 3.09Å |
| 126 | E | 95.6 | Very high | 91.3 | Very high | 90 Ų | 90 | 121.9 Ų | 121.9 | 42% | 0.421 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -67 | -43.1 | 179.5 | -167.5 | 55.3 | -145.3 | 0 | 0 | 111.7 | E122 K123 E124 M128 K129 T130 | E122-E126 PolarHBondContact O-N 2.83Å; E122-E126 VanDerWaalsContact O-N 3.07Å; K123-E126 PolarHBondContact O-N 3.47Å; K123-E126 VanDerWaalsContact O-N 3.16Å; E124-E126 VanDerWaalsContact C-N 3.35Å; E126-M128 VanDerWaalsContact C-N 3.33Å; E126-M128 PolarHBondContact O-N 3.44Å; E126-K129 WeakPolarHBondContact O-CB 3.46Å; E126-K129 PolarHBondContact O-N 3.29Å; E126-K129 IonicContact OE2-NZ 2.61Å; E126-T130 WeakPolarHBondContact O-CG2 3.13Å; E126-T130 PolarHBondContact O-N 3.22Å |
| 127 | D | 95.1 | Very high | 91 | Very high | 81 Ų | 81 | 123.9 Ų | 123.9 | 43% | 0.433 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -59.1 | -45 | 174.6 | -75.2 | -20.7 | 0 | 0 | 0 | 110.7 | K123 E124 K129 T130 Q131 | K123-D127 WeakPolarHBondContact O-CB 3.47Å; K123-D127 PolarHBondContact O-N 3.43Å; E124-D127 PolarHBondContact O-N 3.1Å; D127-K129 PolarHBondContact O-N 3.13Å; D127-T130 PolarHBondContact O-N 2.92Å; D127-T130 PolarHBondContact O-OG1 3.23Å; D127-Q131 VanDerWaalsContact O-CG 3.27Å; D127-Q131 WeakPolarHBondContact O-CG 3.35Å; D127-Q131 PolarHBondContact O-N 3.05Å |
| 128 | M | 93.8 | Very high | 90.6 | Very high | 138 Ų | 138 | 124.3 Ų | 124.3 | 68% | 0.68 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -61.1 | -40.6 | 175.8 | -73.9 | -65.1 | -70.4 | 0 | 0 | 113 | E124 I125 E126 Q131 H132 | E124-M128 WeakPolarHBondContact O-CB 3.13Å; E124-M128 VanDerWaalsContact O-CG 3.24Å; E124-M128 WeakPolarHBondContact O-CG 3.17Å; E124-M128 PolarHBondContact O-N 3.07Å; I125-M128 PolarHBondContact O-N 3.09Å; E126-M128 VanDerWaalsContact C-N 3.33Å; E126-M128 PolarHBondContact O-N 3.44Å; M128-Q131 PolarHBondContact O-N 2.74Å; M128-H132 WeakPolarHBondContact O-CB 3.33Å; M128-H132 PolarHBondContact O-N 3.11Å |
| 129 | K | 93.2 | Very high | 90.2 | Very high | 109 Ų | 109 | 123.8 Ų | 123.8 | 47% | 0.474 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.8 | -43.1 | 175.1 | -73.8 | 171.7 | -173.8 | 166.6 | 0 | 111.8 | I125 E126 D127 H132 R133 | I125-K129 HydrophobicContact CG2-CD 4.32Å; I125-K129 WeakPolarHBondContact O-CG 3.18Å; I125-K129 PolarHBondContact O-N 3.09Å; E126-K129 WeakPolarHBondContact O-CB 3.46Å; E126-K129 PolarHBondContact O-N 3.29Å; E126-K129 IonicContact OE2-NZ 2.61Å; D127-K129 PolarHBondContact O-N 3.13Å; K129-H132 PolarHBondContact O-N 2.83Å; K129-R133 WeakPolarHBondContact O-CG 3.08Å; K129-R133 PolarHBondContact O-N 2.89Å |
| 130 | T | 93.1 | Very high | 89.7 | Confident | 42 Ų | 42 | 124.6 Ų | 124.6 | 26% | 0.258 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -66.5 | -39.6 | 178.8 | 64.8 | 0 | 0 | 0 | 0 | 111.8 | E126 D127 R133 R134 | E126-T130 WeakPolarHBondContact O-CG2 3.13Å; E126-T130 PolarHBondContact O-N 3.22Å; D127-T130 PolarHBondContact O-N 2.92Å; D127-T130 PolarHBondContact O-OG1 3.23Å; T130-R133 PolarHBondContact O-N 2.76Å; T130-R134 WeakPolarHBondContact O-CG 3.1Å; T130-R134 PolarHBondContact O-N 3.01Å; T130-R134 VanDerWaalsContact O-N 3.13Å |
| 131 | Q | 89.8 | Confident | 89.2 | Confident | 91 Ų | 91 | 126.2 Ų | 126.2 | 43% | 0.425 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64.7 | -41 | 174.5 | -65.8 | -59 | -26.1 | 0 | 0 | 112.1 | D127 M128 R134 K135 | D127-Q131 VanDerWaalsContact O-CG 3.27Å; D127-Q131 WeakPolarHBondContact O-CG 3.35Å; D127-Q131 PolarHBondContact O-N 3.05Å; M128-Q131 PolarHBondContact O-N 2.74Å; Q131-R134 PolarHBondContact O-N 2.78Å; Q131-K135 WeakPolarHBondContact O-CG 3.04Å; Q131-K135 PolarHBondContact O-N 2.8Å |
| 132 | H | 87.6 | Confident | 88.7 | Confident | 123 Ų | 123 | 127 Ų | 127 | 57% | 0.569 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -63.6 | -40.7 | 175.9 | -172.8 | 74.9 | 0 | 0 | 0 | 112.1 | M128 K129 R134 K135 | M128-H132 WeakPolarHBondContact O-CB 3.33Å; M128-H132 PolarHBondContact O-N 3.11Å; K129-H132 PolarHBondContact O-N 2.83Å; H132-R134 VanDerWaalsContact C-N 3.31Å; H132-R134 PolarHBondContact O-N 2.84Å; H132-K135 PolarHBondContact O-N 3.16Å |
| 133 | R | 84.4 | Confident | 88 | Confident | 189 Ų | 189 | 128.9 Ų | 128.9 | 71% | 0.713 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -62.5 | -34.8 | 175 | -75.6 | 178.7 | 177.9 | -177.8 | 1.3 | 113.1 | K129 T130 K135 | K129-R133 WeakPolarHBondContact O-CG 3.08Å; K129-R133 PolarHBondContact O-N 2.89Å; T130-R133 PolarHBondContact O-N 2.76Å; R133-K135 VanDerWaalsContact C-N 3.33Å |
| 134 | R | 80.3 | Confident | 87.3 | Confident | 190 Ų | 190 | 128.7 Ų | 128.7 | 72% | 0.717 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -72.6 | -21.2 | 178.6 | -78.2 | 177.3 | 153.7 | 136.4 | -3.7 | 114.5 | T130 Q131 H132 | T130-R134 WeakPolarHBondContact O-CG 3.1Å; T130-R134 PolarHBondContact O-N 3.01Å; T130-R134 VanDerWaalsContact O-N 3.13Å; Q131-R134 PolarHBondContact O-N 2.78Å; H132-R134 VanDerWaalsContact C-N 3.31Å; H132-R134 PolarHBondContact O-N 2.84Å |
| 135 | K | 73.8 | Confident | 86.6 | Confident | 181 Ų | 181 | 128.8 Ų | 128.8 | 79% | 0.787 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | -2.1 | -177.4 | -68.8 | -177.1 | -177.7 | -178.1 | 0 | 113.8 | Q131 H132 R133 | Q131-K135 WeakPolarHBondContact O-CG 3.04Å; Q131-K135 PolarHBondContact O-N 2.8Å; H132-K135 PolarHBondContact O-N 3.16Å; R133-K135 VanDerWaalsContact C-N 3.33Å |
| 136 | K | 55.6 | Low | 85.7 | Confident | 230 Ų | 230 | 133.1 Ų | 133.1 | 100% | 1 | 59% | 0.589 | S | S | * | * | trans | -101.7 | 0 | 173.5 | -113.6 | -176.2 | 178.3 | 179.6 | 0 | 109.5 |
Retrieved 136 of 136 residues in 102.7 ms
(Link to these results)