| 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 | 41.7 | Very low | 37.3 | Very low | 237 Ų | 237 | 159.4 Ų | 159.4 | 100% | 1.167 | 84% | 0.843 | S | S | * | * | 0 | 70.5 | 0 | -59.9 | 165.8 | 78.3 | 0 | 0 | 106.5 | |||||
| 2 | V | 33.9 | Very low | 37.1 | Very low | 138 Ų | 138 | 153.5 Ų | 153.5 | 84% | 0.836 | 83% | 0.834 | S | S | * | * | 55.4 | 95.8 | 58.1 | -175 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 3 | N | 35.9 | Very low | 37.8 | Very low | 114 Ų | 114 | 150.2 Ų | 150.2 | 61% | 0.61 | 84% | 0.84 | S | S | * | * | trans | 49.2 | 127.2 | 131.8 | -127.7 | 53.7 | 0 | 0 | 0 | 119.8 | ||||
| 4 | D | 42.6 | Very low | 37.7 | Very low | 128 Ų | 128 | 152.1 Ų | 152.1 | 68% | 0.684 | 84% | 0.839 | S | S | * | * | 174 | 122.2 | 104.1 | -90.3 | -34.8 | 0 | 0 | 0 | 111.2 | |||||
| 5 | R | 39.7 | Very low | 38 | Very low | 244 Ų | 244 | 153.2 Ų | 153.2 | 92% | 0.921 | 84% | 0.842 | S | S | * | * | -173.8 | 114.8 | 117 | -116.4 | 176.9 | 177.8 | 179.5 | -0.5 | 112.3 | |||||
| 6 | W | 38.1 | Very low | 38.1 | Very low | 217 Ų | 217 | 155.8 Ų | 155.8 | 82% | 0.822 | 85% | 0.846 | S | S | * | * | trans | -75.6 | 169.9 | 168.8 | -73.4 | 76.7 | 0 | 0 | 0 | 113 | ||||
| 7 | K | 41.4 | Very low | 38.1 | Very low | 196 Ų | 196 | 155.8 Ų | 155.8 | 85% | 0.852 | 85% | 0.846 | S | S | * | * | trans | 102.8 | 125.4 | 163.3 | -74.8 | 178 | 168.4 | 171 | 0 | 113.8 | ||||
| 8 | T | 36.9 | Very low | 38.1 | Very low | 121 Ų | 121 | 159.5 Ų | 159.5 | 74% | 0.742 | 85% | 0.845 | S | S | * | * | cis | -154.2 | 130 | 29.6 | 39.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 9 | M | 32 | Very low | 38.4 | Very low | 195 Ų | 195 | 157.1 Ų | 157.1 | 96% | 0.961 | 84% | 0.84 | S | S | * | * | 44.7 | 121.3 | 102 | -91.7 | -179 | 175.6 | 0 | 0 | 116.6 | |||||
| 10 | G | 32.3 | Very low | 38.8 | Very low | 81 Ų | 81 | 161.1 Ų | 161.1 | 84% | 0.835 | 84% | 0.842 | S | S | * | * | trans | 123.2 | 94.1 | 134.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 11 | G | 36.1 | Very low | 39.2 | Very low | 82 Ų | 82 | 161 Ų | 161 | 85% | 0.845 | 84% | 0.843 | S | S | * | * | trans | 52 | 120.1 | 131.1 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 12 | A | 35.1 | Very low | 39.4 | Very low | 89 Ų | 89 | 158.4 Ų | 158.4 | 74% | 0.736 | 83% | 0.825 | S | S | * | * | -176.6 | 123.3 | 116.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | Q14 | A12-Q14 PolarHBondContact O-N 2.81Š| |||
| 13 | A | 45.8 | Very low | 40.1 | Very low | 110 Ų | 110 | 157.7 Ų | 157.7 | 91% | 0.909 | 82% | 0.823 | S | S | * | * | trans | -60.9 | 122.8 | 159.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 14 | Q | 36.8 | Very low | 41.3 | Very low | 177 Ų | 177 | 161.2 Ų | 161.2 | 83% | 0.827 | 84% | 0.836 | S | S | * | * | trans | -134.3 | 117 | 168 | -161.6 | 155.6 | -26.9 | 0 | 0 | 108.8 | A12 E16 | A12-Q14 PolarHBondContact O-N 2.81Å; Q14-E16 PolarHBondContact O-N 3.48Å | ||
| 15 | L | 41.9 | Very low | 42.2 | Very low | 169 Ų | 169 | 166.1 Ų | 166.1 | 89% | 0.885 | 85% | 0.845 | S | S | * | * | trans | -40.4 | 119.3 | 176 | -84.4 | 72.1 | 0 | 0 | 0 | 111.3 | D17 | L15-D17 PolarHBondContact O-N 3.25Å; L15-D17 VanDerWaalsContact O-N 3.14Å | ||
| 16 | E | 39.3 | Very low | 43.1 | Very low | 195 Ų | 195 | 158.4 Ų | 158.4 | 91% | 0.911 | 83% | 0.826 | S | S | * | * | trans | -71.2 | 101.8 | 160 | -98.9 | 167 | 79 | 0 | 0 | 108.6 | Q14 R18 | Q14-E16 PolarHBondContact O-N 3.48Å; E16-R18 PolarHBondContact O-N 3.21Å | ||
| 17 | D | 38.3 | Very low | 44.7 | Very low | 156 Ų | 156 | 151.9 Ų | 151.9 | 83% | 0.834 | 81% | 0.814 | S | S | * | * | trans | -63.6 | 106.7 | 166.2 | -166.3 | 19.3 | 0 | 0 | 0 | 108.5 | L15 P19 | L15-D17 PolarHBondContact O-N 3.25Å; L15-D17 VanDerWaalsContact O-N 3.14Å; D17-P19 WeakPolarHBondContact O-CD 3.41Å | ||
| 18 | R | 37.6 | Very low | 46 | Very low | 222 Ų | 222 | 147.9 Ų | 147.9 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | trans | -64.2 | 120.6 | 174.8 | -96.5 | -90.8 | 179.8 | 162.7 | -3 | 108.5 | E16 R20 | E16-R18 PolarHBondContact O-N 3.21Å; R18-R20 PolarHBondContact O-N 2.98Å; R18-R20 VanDerWaalsContact O-N 3.07Å | ||
| 19 | P | 45.1 | Very low | 48.1 | Very low | 114 Ų | 114 | 144.3 Ų | 144.3 | 74% | 0.74 | 80% | 0.797 | S | S | * | * | trans | -65.8 | 119 | 173.6 | 19.3 | -18.1 | 0 | 0 | 0 | 108.4 | D17 D21 | D17-P19 WeakPolarHBondContact O-CD 3.41Å; P19-D21 PolarHBondContact O-N 3.06Å | ||
| 20 | R | 46.2 | Very low | 50.5 | Low | 236 Ų | 236 | 142.2 Ų | 142.2 | 89% | 0.891 | 78% | 0.779 | S | S | * | * | trans | -61.4 | 103.7 | 175 | -165 | 168.9 | -170.3 | 142.4 | -1.1 | 108.3 | R18 K22 | R18-R20 PolarHBondContact O-N 2.98Å; R18-R20 VanDerWaalsContact O-N 3.07Å; R20-K22 PolarHBondContact O-N 3.43Å | ||
| 21 | D | 45.7 | Very low | 53.1 | Low | 160 Ų | 160 | 141.4 Ų | 141.4 | 86% | 0.856 | 76% | 0.758 | S | S | * | * | trans | -53.2 | 110.9 | 173.5 | -94.7 | -40.7 | 0 | 0 | 0 | 109.2 | P19 | P19-D21 PolarHBondContact O-N 3.06Š| ||
| 22 | K | 46 | Very low | 55.6 | Low | 183 Ų | 183 | 142.7 Ų | 142.7 | 80% | 0.796 | 75% | 0.745 | S | S | * | * | trans | -73.6 | 134.1 | 170.1 | -70.8 | 178.6 | -178.6 | 175.4 | 0 | 107 | R20 Q24 | R20-K22 PolarHBondContact O-N 3.43Å; K22-Q24 PolarHBondContact O-N 2.9Å | ||
| 23 | P | 49.2 | Very low | 58.2 | Low | 123 Ų | 123 | 141.6 Ų | 141.6 | 80% | 0.799 | 73% | 0.731 | S | S | * | * | trans | -62.3 | 107.6 | 175.1 | 25.5 | -31.4 | 0 | 0 | 0 | 108.4 | R25 | P23-R25 PolarHBondContact O-N 3.49Š| ||
| 24 | Q | 60.8 | Low | 60.3 | Low | 187 Ų | 187 | 139.1 Ų | 139.1 | 87% | 0.874 | 71% | 0.705 | S | S | * | * | trans | -63.6 | 109.1 | 170.1 | -81 | 179.1 | -5.7 | 0 | 0 | 107 | K22 | K22-Q24 PolarHBondContact O-N 2.9Š| ||
| 25 | R | 61.4 | Low | 63 | Low | 232 Ų | 232 | 134.2 Ų | 134.2 | 88% | 0.875 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 124.1 | 169.9 | -71.2 | 180 | 179.1 | -179.9 | -1 | 106.8 | P23 S27 | P23-R25 PolarHBondContact O-N 3.49Å; R25-S27 PolarHBondContact O-N 3.43Å |
| 26 | P | 58.7 | Low | 65.5 | Low | 81 Ų | 81 | 131.1 Ų | 131.1 | 53% | 0.526 | 67% | 0.67 | S | S | . | * | P | Polyproline II helix | trans | -57.8 | 129.7 | 179.8 | 24.9 | -33.2 | 0 | 0 | 0 | 107.7 | C28 Y30 V31 | P26-C28 PolarHBondContact O-N 3.05Å; P26-Y30 HydrophobicContact CB-CD1 3.99Å; P26-V31 HydrophobicContact CB-CG2 3.73Å; P26-V31 HydrophobicContact CG-CG2 3.66Å |
| 27 | S | 72.1 | Confident | 68.1 | Low | 80 Ų | 80 | 126.9 Ų | 126.9 | 56% | 0.559 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 142.6 | 178 | 78.1 | 0 | 0 | 0 | 0 | 108.3 | R25 G29 Y30 V31 | R25-S27 PolarHBondContact O-N 3.43Å; S27-G29 PolarHBondContact O-N 3.4Å; S27-Y30 WeakPolarHBondContact O-CB 3.43Å; S27-Y30 PolarHBondContact O-N 2.96Å; S27-Y30 PolarHBondContact OG-N 3.48Å; S27-V31 PolarHBondContact O-N 3.16Å |
| 28 | C | 68.3 | Low | 70.8 | Confident | 113 Ų | 113 | 122 Ų | 122 | 76% | 0.764 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -50.4 | -32.9 | -179.8 | -171.2 | 0 | 0 | 0 | 0 | 111.8 | P26 L32 | P26-C28 PolarHBondContact O-N 3.05Å; C28-L32 WeakPolarHBondContact O-CB 3.44Å; C28-L32 PolarHBondContact O-N 2.89Å |
| 29 | G | 81.8 | Confident | 73.6 | Confident | 46 Ų | 46 | 115.8 Ų | 115.8 | 47% | 0.474 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -67.2 | -36.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | S27 C33 | S27-G29 PolarHBondContact O-N 3.4Å; G29-C33 VanDerWaalsContact O-CB 3.22Å; G29-C33 WeakPolarHBondContact O-CB 3.45Å; G29-C33 PolarHBondContact O-N 3.41Å |
| 30 | Y | 82.5 | Confident | 76 | Confident | 150 Ų | 150 | 113 Ų | 113 | 59% | 0.588 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -69.5 | -40.5 | 176.1 | -175.5 | -96.8 | 0 | 0 | 0 | 111.8 | P26 S27 C33 T34 | P26-Y30 HydrophobicContact CB-CD1 3.99Å; S27-Y30 WeakPolarHBondContact O-CB 3.43Å; S27-Y30 PolarHBondContact O-N 2.96Å; S27-Y30 PolarHBondContact OG-N 3.48Å; Y30-C33 PolarHBondContact O-N 3.35Å; Y30-T34 HydrophobicContact CD1-CG2 4.21Å; Y30-T34 HydrophobicContact CE1-CG2 3.84Å; Y30-T34 HydrophobicContact CE2-CG2 4.47Å; Y30-T34 WeakPolarHBondContact O-CG2 3.39Å; Y30-T34 PolarHBondContact O-N 2.88Å; Y30-T34 PolarHBondContact O-OG1 3.5Å |
| 31 | V | 86.4 | Confident | 78.4 | Confident | 65 Ų | 65 | 106.1 Ų | 106.1 | 39% | 0.394 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -65.5 | -43.7 | 175 | -176.3 | 0 | 0 | 0 | 0 | 110.5 | P26 S27 C33 T34 V35 | P26-V31 HydrophobicContact CB-CG2 3.73Å; P26-V31 HydrophobicContact CG-CG2 3.66Å; S27-V31 PolarHBondContact O-N 3.16Å; V31-C33 VanDerWaalsContact C-N 3.35Å; V31-C33 PolarHBondContact O-N 3Å; V31-T34 WeakPolarHBondContact CA-OG1 3.47Å; V31-T34 PolarHBondContact O-N 3.3Å; V31-T34 PolarHBondContact O-OG1 3.5Å; V31-V35 VanDerWaalsContact O-CG2 3.27Å; V31-V35 WeakPolarHBondContact O-CG2 3.43Å; V31-V35 PolarHBondContact O-N 3.32Å |
| 32 | L | 89.2 | Confident | 80.7 | Confident | 109 Ų | 109 | 104.1 Ų | 104.1 | 57% | 0.571 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -61.9 | -43.4 | 175.8 | -169.8 | 71.7 | 0 | 0 | 0 | 111.6 | C28 V35 L36 | C28-L32 WeakPolarHBondContact O-CB 3.44Å; C28-L32 PolarHBondContact O-N 2.89Å; L32-V35 PolarHBondContact O-N 3.46Å; L32-L36 HydrophobicContact CG-CD1 4.16Å; L32-L36 WeakPolarHBondContact O-CB 3.47Å; L32-L36 VanDerWaalsContact O-CG 3.25Å; L32-L36 WeakPolarHBondContact O-CG 3.37Å; L32-L36 PolarHBondContact O-N 3.2Å |
| 33 | C | 89.8 | Confident | 83.1 | Confident | 66 Ų | 66 | 100.9 Ų | 100.9 | 45% | 0.446 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -63.9 | -44 | 178.9 | -171.9 | 0 | 0 | 0 | 0 | 112.1 | G29 Y30 V31 V35 L36 L37 | G29-C33 VanDerWaalsContact O-CB 3.22Å; G29-C33 WeakPolarHBondContact O-CB 3.45Å; G29-C33 PolarHBondContact O-N 3.41Å; Y30-C33 PolarHBondContact O-N 3.35Å; V31-C33 VanDerWaalsContact C-N 3.35Å; V31-C33 PolarHBondContact O-N 3Å; C33-V35 PolarHBondContact O-N 3Å; C33-L36 PolarHBondContact O-N 2.97Å; C33-L37 WeakPolarHBondContact O-CB 3.38Å; C33-L37 VanDerWaalsContact O-CG 3.31Å; C33-L37 WeakPolarHBondContact O-CG 3.35Å; C33-L37 PolarHBondContact O-N 3.26Å |
| 34 | T | 88.9 | Confident | 85.3 | Confident | 57 Ų | 57 | 97.6 Ų | 97.6 | 35% | 0.35 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.1 | -38.6 | 177.7 | 49.8 | 0 | 0 | 0 | 0 | 112.4 | Y30 V31 L37 A38 | Y30-T34 HydrophobicContact CD1-CG2 4.21Å; Y30-T34 HydrophobicContact CE1-CG2 3.84Å; Y30-T34 HydrophobicContact CE2-CG2 4.47Å; Y30-T34 WeakPolarHBondContact O-CG2 3.39Å; Y30-T34 PolarHBondContact O-N 2.88Å; Y30-T34 PolarHBondContact O-OG1 3.5Å; V31-T34 WeakPolarHBondContact CA-OG1 3.47Å; V31-T34 PolarHBondContact O-N 3.3Å; V31-T34 PolarHBondContact O-OG1 3.5Å; T34-L37 PolarHBondContact O-N 2.98Å; T34-A38 WeakPolarHBondContact O-CB 3.33Å; T34-A38 PolarHBondContact O-N 2.74Å |
| 35 | V | 93.9 | Very high | 86.9 | Confident | 74 Ų | 74 | 93.2 Ų | 93.2 | 45% | 0.448 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.1 | -44.3 | 174.1 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | V31 L32 C33 L37 A38 L39 | V31-V35 VanDerWaalsContact O-CG2 3.27Å; V31-V35 WeakPolarHBondContact O-CG2 3.43Å; V31-V35 PolarHBondContact O-N 3.32Å; L32-V35 PolarHBondContact O-N 3.46Å; C33-V35 PolarHBondContact O-N 3Å; V35-L37 PolarHBondContact O-N 3.42Å; V35-A38 PolarHBondContact O-N 3.11Å; V35-L39 HydrophobicContact CG1-CD1 4.06Å; V35-L39 HydrophobicContact CG1-CG 4.49Å; V35-L39 WeakPolarHBondContact O-CG 3.4Å; V35-L39 PolarHBondContact O-N 3.25Å |
| 36 | L | 94.1 | Very high | 88.5 | Confident | 104 Ų | 104 | 85 Ų | 85 | 55% | 0.545 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64 | -40.4 | 177.9 | -71.5 | 172.5 | 0 | 0 | 0 | 112.2 | L32 C33 L39 A40 | L32-L36 HydrophobicContact CG-CD1 4.16Å; L32-L36 WeakPolarHBondContact O-CB 3.47Å; L32-L36 VanDerWaalsContact O-CG 3.25Å; L32-L36 WeakPolarHBondContact O-CG 3.37Å; L32-L36 PolarHBondContact O-N 3.2Å; C33-L36 PolarHBondContact O-N 2.97Å; L36-L39 PolarHBondContact O-N 2.92Å; L36-A40 WeakPolarHBondContact O-CB 3.31Å; L36-A40 PolarHBondContact O-N 3.22Å |
| 37 | L | 94.8 | Very high | 90.2 | Very high | 107 Ų | 107 | 85.5 Ų | 85.5 | 56% | 0.56 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.1 | -42.4 | 174.8 | -72.1 | 173.1 | 0 | 0 | 0 | 111.8 | C33 T34 V35 L39 A40 V41 | C33-L37 WeakPolarHBondContact O-CB 3.38Å; C33-L37 VanDerWaalsContact O-CG 3.31Å; C33-L37 WeakPolarHBondContact O-CG 3.35Å; C33-L37 PolarHBondContact O-N 3.26Å; T34-L37 PolarHBondContact O-N 2.98Å; V35-L37 PolarHBondContact O-N 3.42Å; L37-L39 VanDerWaalsContact C-N 3.35Å; L37-L39 PolarHBondContact O-N 2.95Å; L37-A40 PolarHBondContact O-N 3.01Å; L37-V41 WeakPolarHBondContact O-CG2 3.36Å; L37-V41 PolarHBondContact O-N 2.78Å |
| 38 | A | 94.3 | Very high | 91.2 | Very high | 53 Ų | 53 | 85.5 Ų | 85.5 | 44% | 0.438 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.6 | -41.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | T34 V35 V41 L42 | T34-A38 WeakPolarHBondContact O-CB 3.33Å; T34-A38 PolarHBondContact O-N 2.74Å; V35-A38 PolarHBondContact O-N 3.11Å; A38-V41 PolarHBondContact O-N 3.11Å; A38-L42 WeakPolarHBondContact O-CB 3.41Å; A38-L42 WeakPolarHBondContact O-CG 3.47Å; A38-L42 PolarHBondContact O-N 2.91Å |
| 39 | L | 95.9 | Very high | 92.3 | Very high | 91 Ų | 91 | 81.9 Ų | 81.9 | 48% | 0.476 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.4 | -42 | 174.4 | -72.1 | 171.5 | 0 | 0 | 0 | 111.8 | V35 L36 L37 V41 L42 L43 | V35-L39 HydrophobicContact CG1-CD1 4.06Å; V35-L39 HydrophobicContact CG1-CG 4.49Å; V35-L39 WeakPolarHBondContact O-CG 3.4Å; V35-L39 PolarHBondContact O-N 3.25Å; L36-L39 PolarHBondContact O-N 2.92Å; L37-L39 VanDerWaalsContact C-N 3.35Å; L37-L39 PolarHBondContact O-N 2.95Å; L39-V41 PolarHBondContact O-N 3.24Å; L39-L42 PolarHBondContact O-N 3.34Å; L39-L43 WeakPolarHBondContact O-CB 3.49Å; L39-L43 VanDerWaalsContact O-CG 3.3Å; L39-L43 WeakPolarHBondContact O-CG 3.36Å; L39-L43 PolarHBondContact O-N 3.08Å |
| 40 | A | 95.8 | Very high | 92.6 | Very high | 55 Ų | 55 | 82 Ų | 82 | 46% | 0.455 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.7 | -41.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L36 L37 L43 A44 | L36-A40 WeakPolarHBondContact O-CB 3.31Å; L36-A40 PolarHBondContact O-N 3.22Å; L37-A40 PolarHBondContact O-N 3.01Å; A40-L43 PolarHBondContact O-N 3.33Å; A40-A44 WeakPolarHBondContact O-CB 3.39Å; A40-A44 PolarHBondContact O-N 3.02Å |
| 41 | V | 95.9 | Very high | 92.7 | Very high | 92 Ų | 92 | 78.4 Ų | 78.4 | 56% | 0.558 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -66.1 | -43.7 | 176.1 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | L37 A38 L39 L43 A44 V45 | L37-V41 WeakPolarHBondContact O-CG2 3.36Å; L37-V41 PolarHBondContact O-N 2.78Å; A38-V41 PolarHBondContact O-N 3.11Å; L39-V41 PolarHBondContact O-N 3.24Å; V41-L43 VanDerWaalsContact C-N 3.33Å; V41-L43 PolarHBondContact O-N 3.43Å; V41-A44 PolarHBondContact O-N 3.04Å; V41-V45 HydrophobicContact CG1-CG2 4.39Å; V41-V45 WeakPolarHBondContact O-CG2 3.33Å; V41-V45 PolarHBondContact O-N 2.95Å |
| 42 | L | 95 | Very high | 92.4 | Very high | 118 Ų | 118 | 79.8 Ų | 79.8 | 62% | 0.618 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.7 | -41.6 | 176.7 | -76.8 | 169.1 | 0 | 0 | 0 | 111.9 | A38 L39 V45 A46 | A38-L42 WeakPolarHBondContact O-CB 3.41Å; A38-L42 WeakPolarHBondContact O-CG 3.47Å; A38-L42 PolarHBondContact O-N 2.91Å; L39-L42 PolarHBondContact O-N 3.34Å; L42-V45 PolarHBondContact O-N 3.43Å; L42-A46 VanDerWaalsContact O-CB 3.27Å; L42-A46 WeakPolarHBondContact O-CB 3.45Å; L42-A46 PolarHBondContact O-N 3.46Å |
| 43 | L | 95.9 | Very high | 91.8 | Very high | 116 Ų | 116 | 81.5 Ų | 81.5 | 61% | 0.607 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.1 | -43.6 | 174.5 | -74.1 | 171.7 | 0 | 0 | 0 | 111.5 | L39 A40 V41 A46 V47 | L39-L43 WeakPolarHBondContact O-CB 3.49Å; L39-L43 VanDerWaalsContact O-CG 3.3Å; L39-L43 WeakPolarHBondContact O-CG 3.36Å; L39-L43 PolarHBondContact O-N 3.08Å; A40-L43 PolarHBondContact O-N 3.33Å; V41-L43 VanDerWaalsContact C-N 3.33Å; V41-L43 PolarHBondContact O-N 3.43Å; L43-A46 PolarHBondContact O-N 2.89Å; L43-V47 WeakPolarHBondContact O-CB 3.46Å; L43-V47 VanDerWaalsContact O-CG2 3.23Å; L43-V47 WeakPolarHBondContact O-CG2 3.4Å; L43-V47 PolarHBondContact O-N 3.39Å |
| 44 | A | 94.9 | Very high | 91.1 | Very high | 53 Ų | 53 | 83.5 Ų | 83.5 | 44% | 0.438 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.3 | -47.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | A40 V41 A46 V47 T48 | A40-A44 WeakPolarHBondContact O-CB 3.39Å; A40-A44 PolarHBondContact O-N 3.02Å; V41-A44 PolarHBondContact O-N 3.04Å; A44-A46 VanDerWaalsContact C-N 3.34Å; A44-A46 PolarHBondContact O-N 3.36Å; A44-V47 PolarHBondContact O-N 3.47Å; A44-T48 WeakPolarHBondContact O-CB 3.38Å; A44-T48 PolarHBondContact O-N 3.23Å; A44-T48 PolarHBondContact O-OG1 2.98Å |
| 45 | V | 95.3 | Very high | 90.1 | Very high | 96 Ų | 96 | 86.3 Ų | 86.3 | 58% | 0.582 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.6 | -40.9 | 176.9 | 173 | 0 | 0 | 0 | 0 | 111.5 | V41 L42 G49 | V41-V45 HydrophobicContact CG1-CG2 4.39Å; V41-V45 WeakPolarHBondContact O-CG2 3.33Å; V41-V45 PolarHBondContact O-N 2.95Å; L42-V45 PolarHBondContact O-N 3.43Å; V45-G49 WeakPolarHBondContact O-CA 3.42Å; V45-G49 PolarHBondContact O-N 2.76Å |
| 46 | A | 93.8 | Very high | 88.3 | Confident | 59 Ų | 59 | 89.4 Ų | 89.4 | 49% | 0.488 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.2 | -41.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | L42 L43 A44 G49 A50 | L42-A46 VanDerWaalsContact O-CB 3.27Å; L42-A46 WeakPolarHBondContact O-CB 3.45Å; L42-A46 PolarHBondContact O-N 3.46Å; L43-A46 PolarHBondContact O-N 2.89Å; A44-A46 VanDerWaalsContact C-N 3.34Å; A44-A46 PolarHBondContact O-N 3.36Å; A46-G49 PolarHBondContact O-N 3.33Å; A46-A50 VanDerWaalsContact O-CB 3.27Å; A46-A50 WeakPolarHBondContact O-CB 3.25Å; A46-A50 PolarHBondContact O-N 3.15Å |
| 47 | V | 95.6 | Very high | 86.3 | Confident | 91 Ų | 91 | 87.3 Ų | 87.3 | 55% | 0.552 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -67.3 | -46.3 | 176.4 | 170.9 | 0 | 0 | 0 | 0 | 110.4 | L43 A44 G49 A50 V51 | L43-V47 WeakPolarHBondContact O-CB 3.46Å; L43-V47 VanDerWaalsContact O-CG2 3.23Å; L43-V47 WeakPolarHBondContact O-CG2 3.4Å; L43-V47 PolarHBondContact O-N 3.39Å; A44-V47 PolarHBondContact O-N 3.47Å; V47-G49 VanDerWaalsContact C-N 3.31Å; V47-G49 PolarHBondContact O-N 3.46Å; V47-A50 PolarHBondContact O-N 2.98Å; V47-V51 HydrophobicContact CG1-CG2 4.38Å; V47-V51 WeakPolarHBondContact O-CB 3.2Å; V47-V51 VanDerWaalsContact O-CG2 3.27Å; V47-V51 WeakPolarHBondContact O-CG2 3.43Å; V47-V51 PolarHBondContact O-N 2.92Å |
| 48 | T | 92.4 | Very high | 83.8 | Confident | 81 Ų | 81 | 89.8 Ų | 89.8 | 50% | 0.497 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.1 | -40.9 | 174.9 | -53.5 | 0 | 0 | 0 | 0 | 111 | A44 V51 L52 | A44-T48 WeakPolarHBondContact O-CB 3.38Å; A44-T48 PolarHBondContact O-N 3.23Å; A44-T48 PolarHBondContact O-OG1 2.98Å; T48-V51 PolarHBondContact O-N 3.19Å; T48-L52 HydrophobicContact CG2-CD1 4.11Å; T48-L52 HydrophobicContact CG2-CG 4.43Å; T48-L52 VanDerWaalsContact O-CB 3.3Å; T48-L52 WeakPolarHBondContact O-CB 3.45Å; T48-L52 VanDerWaalsContact O-CG 3.24Å; T48-L52 WeakPolarHBondContact O-CG 3.08Å; T48-L52 PolarHBondContact O-N 3.4Å |
| 49 | G | 92.6 | Very high | 81.4 | Confident | 37 Ų | 37 | 90.2 Ų | 90.2 | 38% | 0.381 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.5 | -41.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | V45 A46 V47 F53 | V45-G49 WeakPolarHBondContact O-CA 3.42Å; V45-G49 PolarHBondContact O-N 2.76Å; A46-G49 PolarHBondContact O-N 3.33Å; V47-G49 VanDerWaalsContact C-N 3.31Å; V47-G49 PolarHBondContact O-N 3.46Å; G49-F53 WeakPolarHBondContact O-CB 3.48Å; G49-F53 PolarHBondContact O-N 2.88Å |
| 50 | A | 87.4 | Confident | 78.7 | Confident | 48 Ų | 48 | 91 Ų | 91 | 40% | 0.397 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -69.1 | -39.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A46 V47 F53 L54 | A46-A50 VanDerWaalsContact O-CB 3.27Å; A46-A50 WeakPolarHBondContact O-CB 3.25Å; A46-A50 PolarHBondContact O-N 3.15Å; V47-A50 PolarHBondContact O-N 2.98Å; A50-F53 CarbonylContact O-C 3.59Å; A50-F53 PolarHBondContact O-N 3.34Å; A50-L54 VanDerWaalsContact O-CB 3.31Å; A50-L54 WeakPolarHBondContact O-CB 3.49Å; A50-L54 WeakPolarHBondContact O-CG 3.35Å; A50-L54 PolarHBondContact O-N 2.95Å |
| 51 | V | 84.7 | Confident | 76.1 | Confident | 75 Ų | 75 | 91.3 Ų | 91.3 | 46% | 0.455 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.7 | -44 | 174.3 | 170 | 0 | 0 | 0 | 0 | 110.5 | V47 T48 F53 L54 N55 | V47-V51 HydrophobicContact CG1-CG2 4.38Å; V47-V51 WeakPolarHBondContact O-CB 3.2Å; V47-V51 VanDerWaalsContact O-CG2 3.27Å; V47-V51 WeakPolarHBondContact O-CG2 3.43Å; V47-V51 PolarHBondContact O-N 2.92Å; T48-V51 PolarHBondContact O-N 3.19Å; V51-F53 VanDerWaalsContact C-N 3.33Å; V51-L54 PolarHBondContact O-N 3.11Å; V51-N55 VanDerWaalsContact O-CB 3.28Å; V51-N55 WeakPolarHBondContact O-CB 3.19Å; V51-N55 PolarHBondContact O-N 3.28Å |
| 52 | L | 79.7 | Confident | 73.7 | Confident | 94 Ų | 94 | 94 Ų | 94 | 49% | 0.492 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63.8 | -39.4 | 173.4 | -74.2 | 172.3 | 0 | 0 | 0 | 111.4 | T48 N55 H56 | T48-L52 HydrophobicContact CG2-CD1 4.11Å; T48-L52 HydrophobicContact CG2-CG 4.43Å; T48-L52 VanDerWaalsContact O-CB 3.3Å; T48-L52 WeakPolarHBondContact O-CB 3.45Å; T48-L52 VanDerWaalsContact O-CG 3.24Å; T48-L52 WeakPolarHBondContact O-CG 3.08Å; T48-L52 PolarHBondContact O-N 3.4Å; L52-N55 PolarHBondContact O-N 3.08Å; L52-H56 VanDerWaalsContact O-CB 3.25Å; L52-H56 WeakPolarHBondContact O-CB 3.07Å; L52-H56 PolarHBondContact O-CD2 3.35Å; L52-H56 PolarHBondContact O-N 3.03Å |
| 53 | F | 77 | Confident | 71.1 | Confident | 145 Ų | 145 | 91.6 Ų | 91.6 | 64% | 0.636 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -69 | -37.7 | 176.4 | -176.9 | -96.3 | 0 | 0 | 0 | 111.9 | G49 A50 V51 H56 A57 | G49-F53 WeakPolarHBondContact O-CB 3.48Å; G49-F53 PolarHBondContact O-N 2.88Å; A50-F53 CarbonylContact O-C 3.59Å; A50-F53 PolarHBondContact O-N 3.34Å; V51-F53 VanDerWaalsContact C-N 3.33Å; F53-H56 CarbonylContact O-C 3.55Å; F53-H56 PolarHBondContact O-N 2.89Å; F53-A57 HydrophobicContact CE1-CB 4.47Å; F53-A57 WeakPolarHBondContact O-CA 3.33Å; F53-A57 WeakPolarHBondContact O-CB 3.47Å; F53-A57 PolarHBondContact O-N 3.01Å |
| 54 | L | 75.4 | Confident | 68.8 | Low | 108 Ų | 108 | 90 Ų | 90 | 57% | 0.565 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -72.1 | -34.1 | 174.9 | -73.4 | 167.5 | 0 | 0 | 0 | 111.8 | A50 V51 H58 | A50-L54 VanDerWaalsContact O-CB 3.31Å; A50-L54 WeakPolarHBondContact O-CB 3.49Å; A50-L54 WeakPolarHBondContact O-CG 3.35Å; A50-L54 PolarHBondContact O-N 2.95Å; V51-L54 PolarHBondContact O-N 3.11Å; L54-H58 PolarHBondContact O-N 3.41Å; L54-H58 VanDerWaalsContact O-N 3.17Å; L54-H58 PolarHBondContact O-ND1 2.99Å |
| 55 | N | 66.7 | Low | 66.5 | Low | 115 Ų | 115 | 91 Ų | 91 | 62% | 0.615 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -68.9 | -37.6 | 169.9 | -87.7 | -17.6 | 0 | 0 | 0 | 112 | V51 L52 | V51-N55 VanDerWaalsContact O-CB 3.28Å; V51-N55 WeakPolarHBondContact O-CB 3.19Å; V51-N55 PolarHBondContact O-N 3.28Å; L52-N55 PolarHBondContact O-N 3.08Å |
| 56 | H | 57.6 | Low | 64.2 | Low | 140 Ų | 140 | 90 Ų | 90 | 65% | 0.648 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -80 | -27 | 175.2 | -90.6 | -58.6 | 0 | 0 | 0 | 113.4 | L52 F53 H58 A59 | L52-H56 VanDerWaalsContact O-CB 3.25Å; L52-H56 WeakPolarHBondContact O-CB 3.07Å; L52-H56 PolarHBondContact O-CD2 3.35Å; L52-H56 PolarHBondContact O-N 3.03Å; F53-H56 CarbonylContact O-C 3.55Å; F53-H56 PolarHBondContact O-N 2.89Å; H56-H58 PolarHBondContact O-N 3.35Å; H56-A59 WeakPolarHBondContact O-CA 3.21Å; H56-A59 VanDerWaalsContact O-CB 3.23Å; H56-A59 WeakPolarHBondContact O-CB 2.99Å; H56-A59 PolarHBondContact O-N 2.88Å |
| 57 | A | 50.5 | Low | 62 | Low | 60 Ų | 60 | 90.2 Ų | 90.2 | 50% | 0.496 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -73.1 | -19.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | F53 | F53-A57 HydrophobicContact CE1-CB 4.47Å; F53-A57 WeakPolarHBondContact O-CA 3.33Å; F53-A57 WeakPolarHBondContact O-CB 3.47Å; F53-A57 PolarHBondContact O-N 3.01Å |
| 58 | H | 43 | Very low | 59.8 | Low | 159 Ų | 159 | 87.6 Ų | 87.6 | 74% | 0.736 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | 10.5 | 161.2 | -87.4 | 86.8 | 0 | 0 | 0 | 113.9 | L54 H56 P60 | L54-H58 PolarHBondContact O-N 3.41Å; L54-H58 VanDerWaalsContact O-N 3.17Å; L54-H58 PolarHBondContact O-ND1 2.99Å; H56-H58 PolarHBondContact O-N 3.35Å; H58-P60 WeakPolarHBondContact O-CD 3.46Å |
| 59 | A | 43.4 | Very low | 57.6 | Low | 61 Ų | 61 | 86.6 Ų | 86.6 | 50% | 0.504 | 54% | 0.536 | S | S | . | . | trans | -94.6 | 83.6 | 155.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | H56 G61 | H56-A59 WeakPolarHBondContact O-CA 3.21Å; H56-A59 VanDerWaalsContact O-CB 3.23Å; H56-A59 WeakPolarHBondContact O-CB 2.99Å; H56-A59 PolarHBondContact O-N 2.88Å; A59-G61 PolarHBondContact O-N 3.4Å | ||
| 60 | P | 40.8 | Very low | 55.6 | Low | 108 Ų | 108 | 88.6 Ų | 88.6 | 70% | 0.701 | 54% | 0.541 | S | S | * | . | trans | -57.6 | 134.1 | 158.2 | 28.3 | -29.9 | 0 | 0 | 0 | 106.4 | H58 | H58-P60 WeakPolarHBondContact O-CD 3.46Š| ||
| 61 | G | 40.7 | Very low | 53.7 | Low | 62 Ų | 62 | 88.3 Ų | 88.3 | 64% | 0.639 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.1 | 142.4 | -168.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A59 A63 | A59-G61 PolarHBondContact O-N 3.4Å; G61-A63 PolarHBondContact O-N 2.71Å |
| 62 | T | 45.2 | Very low | 51.7 | Low | 149 Ų | 149 | 89.4 Ų | 89.4 | 91% | 0.914 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 6.7 | 65.1 | 159.1 | 56 | 0 | 0 | 0 | 0 | 115 | ||
| 63 | A | 40.3 | Very low | 49.9 | Very low | 66 Ų | 66 | 89.7 Ų | 89.7 | 55% | 0.545 | 58% | 0.576 | S | S | . | * | P | Polyproline II helix | trans | -76 | 124.3 | 160.4 | 0 | 0 | 0 | 0 | 0 | 103.2 | G61 | G61-A63 PolarHBondContact O-N 2.71Š|
| 64 | P | 47.4 | Very low | 48.2 | Very low | 82 Ų | 82 | 86.9 Ų | 86.9 | 53% | 0.532 | 57% | 0.574 | S | S | . | * | P | Polyproline II helix | trans | -50.5 | 144.3 | 174.1 | 22.2 | -31 | 0 | 0 | 0 | 108.4 | ||
| 65 | P | 46.5 | Very low | 46.7 | Very low | 74 Ų | 74 | 85.8 Ų | 85.8 | 48% | 0.481 | 58% | 0.581 | S | S | . | * | P | Polyproline II helix | trans | -49.4 | 138.2 | 174.2 | 23.8 | -33.6 | 0 | 0 | 0 | 107.6 | V67 | P65-V67 WeakPolarHBondContact O-CG2 3.45Å; P65-V67 PolarHBondContact O-N 3.09Å |
| 66 | P | 46.8 | Very low | 45.8 | Very low | 75 Ų | 75 | 84.5 Ų | 84.5 | 49% | 0.487 | 57% | 0.574 | S | S | . | * | trans | -53.3 | 100.6 | -171 | 21.3 | -33.6 | 0 | 0 | 0 | 109.4 | V68 E83 Q179 | P66-V68 PolarHBondContact O-N 3.04Å; P66-E83 VanDerWaalsContact CB-O 3.26Å; P66-E83 WeakPolarHBondContact CB-O 3.45Å; P66-Q179 PolarHBondContact O-NE2 3.29Å | ||
| 67 | V | 47.9 | Very low | 45.3 | Very low | 65 Ų | 65 | 79.7 Ų | 79.7 | 39% | 0.394 | 56% | 0.556 | S | S | . | * | trans | -82.5 | 108.2 | -172.7 | -176 | 0 | 0 | 0 | 0 | 105.7 | P65 S69 | P65-V67 WeakPolarHBondContact O-CG2 3.45Å; P65-V67 PolarHBondContact O-N 3.09Å; V67-S69 VanDerWaalsContact CG1-OG 3.3Å; V67-S69 WeakPolarHBondContact CG1-OG 3.46Å; V67-S69 PolarHBondContact O-N 3.4Å | ||
| 68 | V | 49.1 | Very low | 45.3 | Very low | 35 Ų | 35 | 78.7 Ų | 78.7 | 21% | 0.212 | 55% | 0.547 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 91 | 164.2 | -177.2 | 0 | 0 | 0 | 0 | 106.5 | P66 T70 V80 | P66-V68 PolarHBondContact O-N 3.04Å; V68-T70 PolarHBondContact O-N 3.02Å; V68-V80 HydrophobicContact CG1-CG1 4.4Å |
| 69 | S | 47.2 | Very low | 45.8 | Very low | 61 Ų | 61 | 74.2 Ų | 74.2 | 43% | 0.427 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 109.6 | 173.2 | -67.4 | 0 | 0 | 0 | 0 | 107.9 | V67 G71 T81 | V67-S69 VanDerWaalsContact CG1-OG 3.3Å; V67-S69 WeakPolarHBondContact CG1-OG 3.46Å; V67-S69 PolarHBondContact O-N 3.4Å; S69-G71 PolarHBondContact O-N 2.85Å; S69-T81 PolarHBondContact O-N 3.02Å; S69-T81 PolarHBondContact O-OG1 2.74Å |
| 70 | T | 50.2 | Low | 46.5 | Very low | 78 Ų | 78 | 72.2 Ų | 72.2 | 48% | 0.479 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 110.6 | 162.8 | 49.6 | 0 | 0 | 0 | 0 | 106.9 | V68 A72 | V68-T70 PolarHBondContact O-N 3.02Å; T70-A72 PolarHBondContact O-N 2.73Å |
| 71 | G | 47.8 | Very low | 47.3 | Very low | 43 Ų | 43 | 69 Ų | 69 | 44% | 0.443 | 49% | 0.489 | S | S | . | . | trans | -59.2 | 138.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | S69 A73 L79 | S69-G71 PolarHBondContact O-N 2.85Å; G71-A73 PolarHBondContact O-N 3.17Å; G71-L79 PolarHBondContact N-O 2.79Å; G71-L79 VanDerWaalsContact N-O 3.13Å | ||
| 72 | A | 42.7 | Very low | 48.1 | Very low | 98 Ų | 98 | 68.5 Ų | 68.5 | 81% | 0.81 | 47% | 0.473 | S | S | * | . | trans | -54.2 | 131.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110 | T70 S74 | T70-A72 PolarHBondContact O-N 2.73Å; A72-S74 VanDerWaalsContact C-N 3.28Å; A72-S74 PolarHBondContact O-N 2.98Å | ||
| 73 | A | 41.6 | Very low | 48.3 | Very low | 100 Ų | 100 | 65.9 Ų | 65.9 | 83% | 0.826 | 45% | 0.45 | S | S | * | . | trans | -57.9 | 87.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | G71 | G71-A73 PolarHBondContact O-N 3.17Š| ||
| 74 | S | 41.2 | Very low | 49 | Very low | 85 Ų | 85 | 70.7 Ų | 70.7 | 59% | 0.594 | 46% | 0.455 | S | S | * | . | B | Isolated β-bridge | trans | -91.4 | 156.9 | 161.9 | 87 | 0 | 0 | 0 | 0 | 108.7 | A72 N76 S77 | A72-S74 VanDerWaalsContact C-N 3.28Å; A72-S74 PolarHBondContact O-N 2.98Å; S74-N76 PolarHBondContact O-N 3.38Å; S74-S77 PolarHBondContact O-N 2.89Å |
| 75 | A | 44.3 | Very low | 48.8 | Very low | 86 Ų | 86 | 71.2 Ų | 71.2 | 71% | 0.711 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -5.5 | -154.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||
| 76 | N | 49 | Very low | 48.8 | Very low | 88 Ų | 88 | 72 Ų | 72 | 47% | 0.471 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -140 | 10.8 | -174.7 | -62 | -50.7 | 0 | 0 | 0 | 117.2 | S74 R97 | S74-N76 PolarHBondContact O-N 3.38Å; N76-R97 VanDerWaalsContact OD1-CZ 3.23Å; N76-R97 PolarHBondContact OD1-NH1 2.7Å |
| 77 | S | 45.9 | Very low | 49.1 | Very low | 39 Ų | 39 | 73.3 Ų | 73.3 | 27% | 0.273 | 48% | 0.477 | S | S | . | . | B | Isolated β-bridge | trans | -169.9 | 128.2 | 172.4 | 53.3 | 0 | 0 | 0 | 0 | 113.4 | S74 L79 L93 | S74-S77 PolarHBondContact O-N 2.89Å; S77-L79 PolarHBondContact O-N 3.39Å; S77-L93 VanDerWaalsContact CB-CD1 3.47Å |
| 78 | A | 50.8 | Low | 49.1 | Very low | 38 Ų | 38 | 72.6 Ų | 72.6 | 31% | 0.314 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 100.8 | 159.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | I94 | A78-I94 HydrophobicContact CB-CB 4.15Å; A78-I94 PolarHBondContact N-O 3.04Å; A78-I94 PolarHBondContact O-N 2.94Å |
| 79 | L | 52.4 | Low | 49.3 | Very low | 65 Ų | 65 | 77.5 Ų | 77.5 | 34% | 0.34 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 112.7 | 178 | -171.4 | 73.5 | 0 | 0 | 0 | 108.6 | G71 S77 T81 L93 | G71-L79 PolarHBondContact N-O 2.79Å; G71-L79 VanDerWaalsContact N-O 3.13Å; S77-L79 PolarHBondContact O-N 3.39Å; L79-T81 HydrophobicContact CD2-CG2 3.86Å; L79-T81 HydrophobicContact CG-CG2 3.92Å; L79-L93 HydrophobicContact CD1-CB 4.5Å; L79-L93 HydrophobicContact CD1-CD1 3.67Å |
| 80 | V | 59.8 | Low | 49.7 | Very low | 19 Ų | 19 | 79.8 Ų | 79.8 | 12% | 0.115 | 50% | 0.502 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 109 | 170.2 | -177.1 | 0 | 0 | 0 | 0 | 107.3 | V68 V82 I92 I94 | V68-V80 HydrophobicContact CG1-CG1 4.4Å; V80-V82 HydrophobicContact CG1-CG2 4.43Å; V80-I92 HydrophobicContact CB-CB 4.41Å; V80-I92 PolarHBondContact N-O 3.18Å; V80-I92 PolarHBondContact O-N 3.35Å; V80-I94 HydrophobicContact CG2-CD1 4.24Å |
| 81 | T | 56.4 | Low | 49.8 | Very low | 42 Ų | 42 | 79.5 Ų | 79.5 | 26% | 0.258 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 120.1 | 174 | 52.2 | 0 | 0 | 0 | 0 | 109.6 | S69 L79 L90 | S69-T81 PolarHBondContact O-N 3.02Å; S69-T81 PolarHBondContact O-OG1 2.74Å; L79-T81 HydrophobicContact CD2-CG2 3.86Å; L79-T81 HydrophobicContact CG-CG2 3.92Å; T81-L90 CarbonylContact C-O 3.59Å; T81-L90 WeakPolarHBondContact CA-O 3.45Å |
| 82 | V | 58.5 | Low | 50.4 | Low | 51 Ų | 51 | 81 Ų | 81 | 31% | 0.309 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 111.8 | 171.4 | -176.7 | 0 | 0 | 0 | 0 | 107.9 | V80 H89 L90 | V80-V82 HydrophobicContact CG1-CG2 4.43Å; V82-H89 CarbonylContact O-C 3.54Å; V82-H89 WeakPolarHBondContact O-CA 3.44Å; V82-L90 HydrophobicContact CB-CB 4.38Å; V82-L90 PolarHBondContact N-O 3.29Å; V82-L90 PolarHBondContact O-N 2.94Å |
| 83 | E | 48.3 | Very low | 50.9 | Low | 94 Ų | 94 | 81.9 Ų | 81.9 | 44% | 0.439 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 117.8 | 174.9 | -162.4 | 173.2 | -174.9 | 0 | 0 | 109.4 | P66 | P66-E83 VanDerWaalsContact CB-O 3.26Å; P66-E83 WeakPolarHBondContact CB-O 3.45Å |
| 84 | R | 54.8 | Low | 51.8 | Low | 167 Ų | 167 | 79.9 Ų | 79.9 | 63% | 0.63 | 47% | 0.465 | S | S | * | . | trans | -89.5 | 152 | 179.7 | -177.6 | -173.6 | -81 | -163.2 | -0.5 | 109.7 | D86 S87 S88 | R84-D86 VanDerWaalsContact CB-OD1 3.25Å; R84-D86 WeakPolarHBondContact CB-OD1 3.47Å; R84-D86 WeakPolarHBondContact CD-OD1 3.37Å; R84-D86 WeakPolarHBondContact CD-OD2 3.48Å; R84-D86 WeakPolarHBondContact CG-OD1 3.34Å; R84-D86 IonicContact NH1-OD2 2.87Å; R84-D86 PolarHBondContact O-N 3.25Å; R84-S87 PolarHBondContact O-N 2.9Å; R84-S88 WeakPolarHBondContact CB-O 3.42Å; R84-S88 PolarHBondContact N-O 3.11Å | ||
| 85 | A | 44.9 | Very low | 52.3 | Low | 93 Ų | 93 | 79.3 Ų | 79.3 | 77% | 0.769 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -12.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | S87 | A85-S87 VanDerWaalsContact C-N 3.34Š|
| 86 | D | 45.3 | Very low | 52.6 | Low | 91 Ų | 91 | 78.9 Ų | 78.9 | 49% | 0.487 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 13.5 | 174.8 | 61 | 3.2 | 0 | 0 | 0 | 112.9 | R84 S88 | R84-D86 VanDerWaalsContact CB-OD1 3.25Å; R84-D86 WeakPolarHBondContact CB-OD1 3.47Å; R84-D86 WeakPolarHBondContact CD-OD1 3.37Å; R84-D86 WeakPolarHBondContact CD-OD2 3.48Å; R84-D86 WeakPolarHBondContact CG-OD1 3.34Å; R84-D86 IonicContact NH1-OD2 2.87Å; R84-D86 PolarHBondContact O-N 3.25Å; D86-S88 PolarHBondContact O-N 2.96Å; D86-S88 VanDerWaalsContact OD1-CB 3.31Å; D86-S88 WeakPolarHBondContact OD1-CB 3.37Å; D86-S88 PolarHBondContact OD1-N 3.4Å; D86-S88 PolarHBondContact OD1-OG 3.49Å; D86-S88 PolarHBondContact OD2-OG 3.15Å |
| 87 | S | 52.5 | Low | 52.8 | Low | 101 Ų | 101 | 82.2 Ų | 82.2 | 71% | 0.706 | 45% | 0.452 | S | S | * | . | S | Bend | trans | 64.8 | 12.3 | -174.4 | 65.8 | 0 | 0 | 0 | 0 | 115.6 | R84 A85 | R84-S87 PolarHBondContact O-N 2.9Å; A85-S87 VanDerWaalsContact C-N 3.34Å |
| 88 | S | 49.4 | Very low | 53.3 | Low | 51 Ų | 51 | 85 Ų | 85 | 36% | 0.357 | 47% | 0.47 | S | S | . | . | trans | -81.6 | 135.5 | 168.8 | 68.3 | 0 | 0 | 0 | 0 | 110.9 | R84 D86 | R84-S88 WeakPolarHBondContact CB-O 3.42Å; R84-S88 PolarHBondContact N-O 3.11Å; D86-S88 PolarHBondContact O-N 2.96Å; D86-S88 VanDerWaalsContact OD1-CB 3.31Å; D86-S88 WeakPolarHBondContact OD1-CB 3.37Å; D86-S88 PolarHBondContact OD1-N 3.4Å; D86-S88 PolarHBondContact OD1-OG 3.49Å; D86-S88 PolarHBondContact OD2-OG 3.15Å | ||
| 89 | H | 52.4 | Low | 53.6 | Low | 138 Ų | 138 | 87.7 Ų | 87.7 | 64% | 0.639 | 48% | 0.484 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 124.1 | 177.1 | 60 | -84.1 | 0 | 0 | 0 | 110.3 | V82 | V82-H89 CarbonylContact O-C 3.54Å; V82-H89 WeakPolarHBondContact O-CA 3.44Å |
| 90 | L | 56.3 | Low | 54.1 | Low | 108 Ų | 108 | 88.5 Ų | 88.5 | 57% | 0.565 | 49% | 0.489 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 112.2 | 171.4 | -173 | 86.6 | 0 | 0 | 0 | 108.3 | T81 V82 I92 | T81-L90 CarbonylContact C-O 3.59Å; T81-L90 WeakPolarHBondContact CA-O 3.45Å; V82-L90 HydrophobicContact CB-CB 4.38Å; V82-L90 PolarHBondContact N-O 3.29Å; V82-L90 PolarHBondContact O-N 2.94Å; L90-I92 HydrophobicContact CD2-CD1 3.85Å; L90-I92 HydrophobicContact CD2-CG1 3.85Å; L90-I92 HydrophobicContact CG-CG1 4.25Å |
| 91 | S | 52.5 | Low | 54.3 | Low | 72 Ų | 72 | 91.3 Ų | 91.3 | 50% | 0.503 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 109.1 | 173.8 | 57 | 0 | 0 | 0 | 0 | 110.4 | ||
| 92 | I | 59 | Low | 54.9 | Low | 76 Ų | 76 | 91.3 Ų | 91.3 | 39% | 0.39 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 114 | 171.5 | -55.4 | 174.9 | 0 | 0 | 0 | 107.6 | V80 L90 I94 | V80-I92 HydrophobicContact CB-CB 4.41Å; V80-I92 PolarHBondContact N-O 3.18Å; V80-I92 PolarHBondContact O-N 3.35Å; L90-I92 HydrophobicContact CD2-CD1 3.85Å; L90-I92 HydrophobicContact CD2-CG1 3.85Å; L90-I92 HydrophobicContact CG-CG1 4.25Å; I92-I94 HydrophobicContact CG2-CG1 4.21Å |
| 93 | L | 54.6 | Low | 55.5 | Low | 116 Ų | 116 | 93.8 Ų | 93.8 | 61% | 0.607 | 51% | 0.514 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 109.1 | 174.9 | -162.9 | 80.6 | 0 | 0 | 0 | 108.7 | S77 L79 | S77-L93 VanDerWaalsContact CB-CD1 3.47Å; L79-L93 HydrophobicContact CD1-CB 4.5Å; L79-L93 HydrophobicContact CD1-CD1 3.67Å |
| 94 | I | 59.1 | Low | 56.5 | Low | 57 Ų | 57 | 91.9 Ų | 91.9 | 29% | 0.292 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 107.8 | 170.7 | -55.1 | 168.8 | 0 | 0 | 0 | 106.1 | A78 V80 I92 P96 | A78-I94 HydrophobicContact CB-CB 4.15Å; A78-I94 PolarHBondContact N-O 3.04Å; A78-I94 PolarHBondContact O-N 2.94Å; V80-I94 HydrophobicContact CG2-CD1 4.24Å; I92-I94 HydrophobicContact CG2-CG1 4.21Å; I94-P96 WeakPolarHBondContact O-CD 3.47Å |
| 95 | D | 51.3 | Low | 57.3 | Low | 73 Ų | 73 | 86 Ų | 86 | 39% | 0.39 | 49% | 0.491 | S | S | . | . | trans | -68.5 | 113.6 | 174.3 | -170.7 | -14.2 | 0 | 0 | 0 | 109.2 | R97 C98 | D95-R97 PolarHBondContact O-N 2.66Å; D95-R97 WeakPolarHBondContact OD1-CB 3.44Å; D95-R97 PolarHBondContact OD1-N 3.4Å; D95-C98 PolarHBondContact O-N 3.28Å | ||
| 96 | P | 51.7 | Low | 58.8 | Low | 77 Ų | 77 | 84 Ų | 84 | 50% | 0.5 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -8.8 | -179.9 | 30.9 | -35.6 | 0 | 0 | 0 | 112.5 | I94 | I94-P96 WeakPolarHBondContact O-CD 3.47Š|
| 97 | R | 52.2 | Low | 60.4 | Low | 159 Ų | 159 | 87.8 Ų | 87.8 | 60% | 0.6 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | 21 | -179.9 | -57.1 | -176.2 | -60.7 | -170.1 | 2.9 | 112.8 | N76 D95 P99 | N76-R97 VanDerWaalsContact OD1-CZ 3.23Å; N76-R97 PolarHBondContact OD1-NH1 2.7Å; D95-R97 PolarHBondContact O-N 2.66Å; D95-R97 WeakPolarHBondContact OD1-CB 3.44Å; D95-R97 PolarHBondContact OD1-N 3.4Å; R97-P99 WeakPolarHBondContact O-CD 3.46Å |
| 98 | C | 56.3 | Low | 61.6 | Low | 96 Ų | 96 | 87.3 Ų | 87.3 | 65% | 0.649 | 47% | 0.471 | S | S | * | . | trans | -56.9 | 111.2 | 165.9 | -85.8 | 0 | 0 | 0 | 0 | 108.4 | D95 D100 | D95-C98 PolarHBondContact O-N 3.28Å; C98-D100 PolarHBondContact O-N 2.79Å | ||
| 99 | P | 58.9 | Low | 63 | Low | 96 Ų | 96 | 88.9 Ų | 88.9 | 62% | 0.623 | 47% | 0.472 | S | S | * | . | trans | -60.2 | 137.9 | -178.8 | 20 | -26.2 | 0 | 0 | 0 | 109.2 | R97 L101 | R97-P99 WeakPolarHBondContact O-CD 3.46Å; P99-L101 HydrophobicContact CB-CD1 4.11Å; P99-L101 HydrophobicContact CG-CD1 3.75Å; P99-L101 WeakPolarHBondContact O-CD1 3.44Å; P99-L101 PolarHBondContact O-N 3.46Å | ||
| 100 | D | 60.9 | Low | 64.4 | Low | 81 Ų | 81 | 85.5 Ų | 85.5 | 43% | 0.433 | 46% | 0.464 | S | S | . | . | trans | -75.7 | 91.6 | 174 | -167 | 40.6 | 0 | 0 | 0 | 108.7 | C98 T102 R162 | C98-D100 PolarHBondContact O-N 2.79Å; D100-T102 PolarHBondContact O-N 3.48Å; D100-T102 PolarHBondContact OD1-OG1 3Å; D100-T102 PolarHBondContact OD2-OG1 3.17Å; D100-R162 IonicContact OD1-CZ 3.19Å; D100-R162 IonicContact OD1-NH1 2.79Å; D100-R162 PolarHBondContact OD1-NH1 2.64Å; D100-R162 IonicContact OD1-NH2 2.66Å; D100-R162 PolarHBondContact OD1-NH2 2.95Å | ||
| 101 | L | 64.6 | Low | 65.6 | Low | 78 Ų | 78 | 82.9 Ų | 82.9 | 41% | 0.408 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -5 | -176.4 | -88.1 | 89.7 | 0 | 0 | 0 | 113.4 | P99 D103 S104 F105 | P99-L101 HydrophobicContact CB-CD1 4.11Å; P99-L101 HydrophobicContact CG-CD1 3.75Å; P99-L101 WeakPolarHBondContact O-CD1 3.44Å; P99-L101 PolarHBondContact O-N 3.46Å; L101-D103 VanDerWaalsContact C-N 3.29Å; L101-D103 PolarHBondContact O-N 2.91Å; L101-S104 VanDerWaalsContact C-OG 3.28Å; L101-S104 WeakPolarHBondContact CA-OG 3.07Å; L101-S104 PolarHBondContact O-N 3.32Å; L101-S104 VanDerWaalsContact O-N 3.09Å; L101-S104 PolarHBondContact O-OG 3.44Å; L101-F105 HydrophobicContact CB-CD2 3.68Å; L101-F105 HydrophobicContact CB-CE2 3.41Å; L101-F105 VanDerWaalsContact CB-CE2 3.41Å; L101-F105 HydrophobicContact CB-CZ 4.35Å; L101-F105 HydrophobicContact CD2-CE2 3.67Å; L101-F105 HydrophobicContact CD2-CZ 3.77Å; L101-F105 HydrophobicContact CG-CE2 4.18Å; L101-F105 WeakPolarHBondContact O-CD2 3.47Å; L101-F105 PolarHBondContact O-N 3.26Å |
| 102 | T | 70.1 | Confident | 66.8 | Low | 42 Ų | 42 | 80.8 Ų | 80.8 | 26% | 0.258 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -54.4 | -44.8 | -178.5 | -8.9 | 0 | 0 | 0 | 0 | 112.2 | D100 F105 A106 | D100-T102 PolarHBondContact O-N 3.48Å; D100-T102 PolarHBondContact OD1-OG1 3Å; D100-T102 PolarHBondContact OD2-OG1 3.17Å; T102-F105 PolarHBondContact O-N 3.25Å; T102-A106 WeakPolarHBondContact O-CB 3.35Å; T102-A106 PolarHBondContact O-N 2.68Å |
| 103 | D | 70.2 | Confident | 67.8 | Low | 103 Ų | 103 | 80 Ų | 80 | 55% | 0.551 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -72.5 | -29.3 | 179.4 | -76.4 | -13.4 | 0 | 0 | 0 | 113.4 | L101 R107 | L101-D103 VanDerWaalsContact C-N 3.29Å; L101-D103 PolarHBondContact O-N 2.91Å; D103-R107 WeakPolarHBondContact O-CB 3.3Å; D103-R107 WeakPolarHBondContact O-CG 3.4Å; D103-R107 PolarHBondContact O-N 2.94Å; D103-R107 PolarHBondContact O-NE 2.95Å |
| 104 | S | 70.1 | Confident | 69.2 | Low | 55 Ų | 55 | 78.2 Ų | 78.2 | 39% | 0.385 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -73.9 | -37.1 | 173.8 | 40.9 | 0 | 0 | 0 | 0 | 111.9 | L101 L108 | L101-S104 VanDerWaalsContact C-OG 3.28Å; L101-S104 WeakPolarHBondContact CA-OG 3.07Å; L101-S104 PolarHBondContact O-N 3.32Å; L101-S104 VanDerWaalsContact O-N 3.09Å; L101-S104 PolarHBondContact O-OG 3.44Å; S104-L108 WeakPolarHBondContact O-CB 3.13Å; S104-L108 PolarHBondContact O-N 3.37Å |
| 105 | F | 71.7 | Confident | 70.4 | Confident | 43 Ų | 43 | 78.9 Ų | 78.9 | 19% | 0.189 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -68.8 | -44.3 | 175.4 | -74.2 | -60.1 | 0 | 0 | 0 | 111.6 | L101 T102 R107 L108 E109 | L101-F105 HydrophobicContact CB-CD2 3.68Å; L101-F105 HydrophobicContact CB-CE2 3.41Å; L101-F105 VanDerWaalsContact CB-CE2 3.41Å; L101-F105 HydrophobicContact CB-CZ 4.35Å; L101-F105 HydrophobicContact CD2-CE2 3.67Å; L101-F105 HydrophobicContact CD2-CZ 3.77Å; L101-F105 HydrophobicContact CG-CE2 4.18Å; L101-F105 WeakPolarHBondContact O-CD2 3.47Å; L101-F105 PolarHBondContact O-N 3.26Å; T102-F105 PolarHBondContact O-N 3.25Å; F105-R107 VanDerWaalsContact C-N 3.33Å; F105-R107 PolarHBondContact O-N 3.06Å; F105-L108 WeakPolarHBondContact O-CB 3.39Å; F105-L108 PolarHBondContact O-N 3.32Å; F105-L108 VanDerWaalsContact O-N 3.15Å; F105-E109 PolarHBondContact O-N 3.48Å |
| 106 | A | 75.6 | Confident | 71.6 | Confident | 51 Ų | 51 | 78.6 Ų | 78.6 | 42% | 0.421 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61.6 | -40.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | T102 S110 | T102-A106 WeakPolarHBondContact O-CB 3.35Å; T102-A106 PolarHBondContact O-N 2.68Å; A106-S110 PolarHBondContact O-N 3.08Å; A106-S110 VanDerWaalsContact O-N 3.08Å; A106-S110 PolarHBondContact O-OG 3.44Å |
| 107 | R | 79.3 | Confident | 73.1 | Confident | 171 Ų | 171 | 80.5 Ų | 80.5 | 65% | 0.645 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -64.8 | -41.8 | 173.5 | -83.8 | -174.5 | -81.5 | -158.5 | -5 | 112.1 | D103 F105 S110 A111 | D103-R107 WeakPolarHBondContact O-CB 3.3Å; D103-R107 WeakPolarHBondContact O-CG 3.4Å; D103-R107 PolarHBondContact O-N 2.94Å; D103-R107 PolarHBondContact O-NE 2.95Å; F105-R107 VanDerWaalsContact C-N 3.33Å; F105-R107 PolarHBondContact O-N 3.06Å; R107-S110 PolarHBondContact O-N 3.03Å; R107-S110 PolarHBondContact O-OG 2.92Å; R107-A111 WeakPolarHBondContact O-CB 3.36Å; R107-A111 PolarHBondContact O-N 3.01Å |
| 108 | L | 78.4 | Confident | 74.5 | Confident | 91 Ų | 91 | 75.2 Ų | 75.2 | 48% | 0.476 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61.5 | -47.5 | 176.6 | -174.1 | 69.2 | 0 | 0 | 0 | 111.4 | S104 F105 S110 A111 Q112 | S104-L108 WeakPolarHBondContact O-CB 3.13Å; S104-L108 PolarHBondContact O-N 3.37Å; F105-L108 WeakPolarHBondContact O-CB 3.39Å; F105-L108 PolarHBondContact O-N 3.32Å; F105-L108 VanDerWaalsContact O-N 3.15Å; L108-S110 VanDerWaalsContact C-N 3.32Å; L108-S110 PolarHBondContact O-N 3.42Å; L108-A111 PolarHBondContact O-N 2.91Å; L108-Q112 WeakPolarHBondContact O-CB 3.34Å; L108-Q112 PolarHBondContact O-N 2.97Å |
| 109 | E | 77.9 | Confident | 75.3 | Confident | 83 Ų | 83 | 71.9 Ų | 71.9 | 39% | 0.388 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -57.2 | -44.3 | 175.5 | -81.9 | -169.6 | 138.4 | 0 | 0 | 111.9 | F105 Q112 A113 L148 | F105-E109 PolarHBondContact O-N 3.48Å; E109-Q112 PolarHBondContact O-N 3.46Å; E109-A113 WeakPolarHBondContact O-CB 3.37Å; E109-A113 PolarHBondContact O-N 3.32Å; E109-L148 HydrophobicContact CG-CD1 4.17Å |
| 110 | S | 81.6 | Confident | 76 | Confident | 67 Ų | 67 | 70.7 Ų | 70.7 | 47% | 0.469 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -66.6 | -40.5 | -179.8 | 72.1 | 0 | 0 | 0 | 0 | 113.4 | A106 R107 L108 Q112 S114 | A106-S110 PolarHBondContact O-N 3.08Å; A106-S110 VanDerWaalsContact O-N 3.08Å; A106-S110 PolarHBondContact O-OG 3.44Å; R107-S110 PolarHBondContact O-N 3.03Å; R107-S110 PolarHBondContact O-OG 2.92Å; L108-S110 VanDerWaalsContact C-N 3.32Å; L108-S110 PolarHBondContact O-N 3.42Å; S110-Q112 VanDerWaalsContact C-N 3.35Å; S110-S114 PolarHBondContact O-N 2.97Å; S110-S114 PolarHBondContact O-OG 3.13Å |
| 111 | A | 81.1 | Confident | 76.8 | Confident | 54 Ų | 54 | 72.5 Ų | 72.5 | 45% | 0.446 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -67.7 | -39.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | R107 L108 S114 V115 | R107-A111 WeakPolarHBondContact O-CB 3.36Å; R107-A111 PolarHBondContact O-N 3.01Å; L108-A111 PolarHBondContact O-N 2.91Å; A111-S114 WeakPolarHBondContact O-CB 3.26Å; A111-S114 PolarHBondContact O-N 3.19Å; A111-V115 WeakPolarHBondContact O-CG2 3.24Å; A111-V115 PolarHBondContact O-N 3.4Å |
| 112 | Q | 77.3 | Confident | 76.9 | Confident | 27 Ų | 27 | 75.6 Ų | 75.6 | 13% | 0.126 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -70.5 | -39.6 | -179.2 | -161.9 | 174.9 | -13.5 | 0 | 0 | 112.1 | L108 E109 S110 S114 V115 L116 L144 L148 | L108-Q112 WeakPolarHBondContact O-CB 3.34Å; L108-Q112 PolarHBondContact O-N 2.97Å; E109-Q112 PolarHBondContact O-N 3.46Å; S110-Q112 VanDerWaalsContact C-N 3.35Å; Q112-S114 VanDerWaalsContact C-N 3.28Å; Q112-S114 PolarHBondContact O-N 2.92Å; Q112-V115 PolarHBondContact O-N 3.5Å; Q112-L116 WeakPolarHBondContact O-CB 3.44Å; Q112-L116 PolarHBondContact O-N 3.44Å; Q112-L144 HydrophobicContact CG-CD2 3.7Å; Q112-L144 PolarHBondContact NE2-O 3.01Å; Q112-L148 HydrophobicContact CG-CD1 4.37Å; Q112-L148 VanDerWaalsContact OE1-CD1 3.24Å |
| 113 | A | 80.7 | Confident | 76.6 | Confident | 61 Ų | 61 | 78.1 Ų | 78.1 | 50% | 0.504 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -59.4 | -40.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | E109 L116 Q117 | E109-A113 WeakPolarHBondContact O-CB 3.37Å; E109-A113 PolarHBondContact O-N 3.32Å; A113-L116 PolarHBondContact O-N 3.21Å; A113-Q117 WeakPolarHBondContact O-CB 3.38Å; A113-Q117 PolarHBondContact O-N 3.32Å |
| 114 | S | 85.4 | Confident | 76.3 | Confident | 77 Ų | 77 | 76.8 Ų | 76.8 | 54% | 0.538 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -66.4 | -40.2 | 176.7 | -60.1 | 0 | 0 | 0 | 0 | 112.5 | S110 A111 Q112 A118 | S110-S114 PolarHBondContact O-N 2.97Å; S110-S114 PolarHBondContact O-OG 3.13Å; A111-S114 WeakPolarHBondContact O-CB 3.26Å; A111-S114 PolarHBondContact O-N 3.19Å; Q112-S114 VanDerWaalsContact C-N 3.28Å; Q112-S114 PolarHBondContact O-N 2.92Å; S114-A118 WeakPolarHBondContact O-CB 3.31Å; S114-A118 PolarHBondContact O-N 2.85Å |
| 115 | V | 83.1 | Confident | 76 | Confident | 71 Ų | 71 | 80.1 Ų | 80.1 | 43% | 0.43 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -67.1 | -42.5 | 176.7 | 170.2 | 0 | 0 | 0 | 0 | 111.3 | A111 Q112 Q117 A118 L119 | A111-V115 WeakPolarHBondContact O-CG2 3.24Å; A111-V115 PolarHBondContact O-N 3.4Å; Q112-V115 PolarHBondContact O-N 3.5Å; V115-Q117 VanDerWaalsContact C-N 3.33Å; V115-Q117 PolarHBondContact O-N 3.49Å; V115-A118 PolarHBondContact O-N 3.37Å; V115-L119 HydrophobicContact CG1-CD1 3.86Å; V115-L119 HydrophobicContact CG1-CG 4.47Å; V115-L119 WeakPolarHBondContact O-CB 3.29Å; V115-L119 WeakPolarHBondContact O-CG 3.48Å; V115-L119 PolarHBondContact O-N 2.87Å |
| 116 | L | 77.1 | Confident | 75.1 | Confident | 68 Ų | 68 | 84.1 Ų | 84.1 | 36% | 0.356 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.3 | -40.7 | 179.3 | -147.2 | 155 | 0 | 0 | 0 | 110.5 | Q112 A113 L119 T120 | Q112-L116 WeakPolarHBondContact O-CB 3.44Å; Q112-L116 PolarHBondContact O-N 3.44Å; A113-L116 PolarHBondContact O-N 3.21Å; L116-L119 PolarHBondContact O-N 2.81Å; L116-T120 HydrophobicContact CD2-CG2 4.11Å; L116-T120 WeakPolarHBondContact O-CG2 3.34Å; L116-T120 PolarHBondContact O-N 3.21Å; L116-T120 PolarHBondContact O-OG1 2.92Å; L116-T120 VanDerWaalsContact O-OG1 3.11Å |
| 117 | Q | 83.4 | Confident | 74.2 | Confident | 117 Ų | 117 | 91.5 Ų | 91.5 | 55% | 0.547 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.3 | -46.4 | 174 | -172.3 | 169.7 | -18.5 | 0 | 0 | 111.9 | A113 V115 L119 T120 E121 | A113-Q117 WeakPolarHBondContact O-CB 3.38Å; A113-Q117 PolarHBondContact O-N 3.32Å; V115-Q117 VanDerWaalsContact C-N 3.33Å; V115-Q117 PolarHBondContact O-N 3.49Å; Q117-L119 VanDerWaalsContact C-N 3.33Å; Q117-L119 PolarHBondContact O-N 2.9Å; Q117-T120 WeakPolarHBondContact CA-OG1 3.46Å; Q117-T120 PolarHBondContact O-N 3.22Å; Q117-T120 PolarHBondContact O-OG1 3.45Å; Q117-E121 PolarHBondContact NE2-OE1 2.84Å; Q117-E121 WeakPolarHBondContact O-CG 3.26Å; Q117-E121 PolarHBondContact O-N 3.45Å |
| 118 | A | 80.5 | Confident | 73.1 | Confident | 48 Ų | 48 | 92.4 Ų | 92.4 | 40% | 0.397 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.5 | -37.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | S114 V115 H122 | S114-A118 WeakPolarHBondContact O-CB 3.31Å; S114-A118 PolarHBondContact O-N 2.85Å; V115-A118 PolarHBondContact O-N 3.37Å; A118-H122 WeakPolarHBondContact O-CB 3.09Å; A118-H122 PolarHBondContact O-N 2.7Å |
| 119 | L | 72.9 | Confident | 72.3 | Confident | 26 Ų | 26 | 91 Ų | 91 | 14% | 0.136 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -65.9 | -44.5 | 174.4 | -79.7 | 165.1 | 0 | 0 | 0 | 111.6 | V115 L116 Q117 E121 H122 Q123 L137 L140 L144 | V115-L119 HydrophobicContact CG1-CD1 3.86Å; V115-L119 HydrophobicContact CG1-CG 4.47Å; V115-L119 WeakPolarHBondContact O-CB 3.29Å; V115-L119 WeakPolarHBondContact O-CG 3.48Å; V115-L119 PolarHBondContact O-N 2.87Å; L116-L119 PolarHBondContact O-N 2.81Å; Q117-L119 VanDerWaalsContact C-N 3.33Å; Q117-L119 PolarHBondContact O-N 2.9Å; L119-E121 VanDerWaalsContact C-N 3.33Å; L119-E121 PolarHBondContact O-N 2.69Å; L119-H122 PolarHBondContact O-N 2.99Å; L119-Q123 WeakPolarHBondContact O-CB 3.3Å; L119-Q123 PolarHBondContact O-N 2.98Å; L119-L137 HydrophobicContact CD2-CD1 3.47Å; L119-L137 VanDerWaalsContact CD2-CD1 3.47Å; L119-L137 HydrophobicContact CD2-CD2 4.07Å; L119-L137 HydrophobicContact CD2-CG 3.69Å; L119-L140 HydrophobicContact CD1-CD2 4.37Å; L119-L144 HydrophobicContact CD1-CD1 4.21Å |
| 120 | T | 74.1 | Confident | 71.8 | Confident | 71 Ų | 71 | 89.3 Ų | 89.3 | 44% | 0.436 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.5 | -37 | 177.2 | 50.5 | 0 | 0 | 0 | 0 | 112.7 | L116 Q117 Q123 A124 | L116-T120 HydrophobicContact CD2-CG2 4.11Å; L116-T120 WeakPolarHBondContact O-CG2 3.34Å; L116-T120 PolarHBondContact O-N 3.21Å; L116-T120 PolarHBondContact O-OG1 2.92Å; L116-T120 VanDerWaalsContact O-OG1 3.11Å; Q117-T120 WeakPolarHBondContact CA-OG1 3.46Å; Q117-T120 PolarHBondContact O-N 3.22Å; Q117-T120 PolarHBondContact O-OG1 3.45Å; T120-Q123 PolarHBondContact O-N 3.49Å; T120-A124 PolarHBondContact O-N 2.97Å |
| 121 | E | 77.9 | Confident | 71.3 | Confident | 118 Ų | 118 | 93 Ų | 93 | 55% | 0.551 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -67 | -39.6 | 173.6 | -74.5 | 175.8 | -171.3 | 0 | 0 | 111.3 | Q117 L119 A124 | Q117-E121 PolarHBondContact NE2-OE1 2.84Å; Q117-E121 WeakPolarHBondContact O-CG 3.26Å; Q117-E121 PolarHBondContact O-N 3.45Å; L119-E121 VanDerWaalsContact C-N 3.33Å; L119-E121 PolarHBondContact O-N 2.69Å; E121-A124 PolarHBondContact O-N 3.29Å |
| 122 | H | 66.4 | Low | 71.1 | Confident | 143 Ų | 143 | 98.5 Ų | 98.5 | 66% | 0.662 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -68.3 | -36.1 | 176.2 | -105.8 | -53 | 0 | 0 | 0 | 113.5 | A118 L119 A124 Q125 | A118-H122 WeakPolarHBondContact O-CB 3.09Å; A118-H122 PolarHBondContact O-N 2.7Å; L119-H122 PolarHBondContact O-N 2.99Å; H122-A124 VanDerWaalsContact C-N 3.29Å; H122-A124 PolarHBondContact O-N 3.44Å; H122-Q125 PolarHBondContact O-N 3.4Å |
| 123 | Q | 63.8 | Low | 71.1 | Confident | 95 Ų | 95 | 104 Ų | 104 | 44% | 0.444 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -71.8 | -24.3 | 178.9 | -153.6 | 175.7 | 11.9 | 0 | 0 | 112.2 | L119 T120 Q125 D138 | L119-Q123 WeakPolarHBondContact O-CB 3.3Å; L119-Q123 PolarHBondContact O-N 2.98Å; T120-Q123 PolarHBondContact O-N 3.49Å; Q123-Q125 VanDerWaalsContact C-N 3.3Å; Q123-D138 PolarHBondContact NE2-OD1 3.43Å |
| 124 | A | 64.7 | Low | 71 | Confident | 76 Ų | 76 | 104.6 Ų | 104.6 | 63% | 0.628 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | -14.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | T120 E121 H122 P126 | T120-A124 PolarHBondContact O-N 2.97Å; E121-A124 PolarHBondContact O-N 3.29Å; H122-A124 VanDerWaalsContact C-N 3.29Å; H122-A124 PolarHBondContact O-N 3.44Å; A124-P126 WeakPolarHBondContact O-CD 3.48Å |
| 125 | Q | 62.5 | Low | 70.8 | Confident | 125 Ų | 125 | 107.6 Ų | 107.6 | 58% | 0.584 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -89.5 | 113.8 | 177 | -132.5 | 86.4 | -18.4 | 0 | 0 | 109.6 | H122 Q123 R127 | H122-Q125 PolarHBondContact O-N 3.4Å; Q123-Q125 VanDerWaalsContact C-N 3.3Å; Q125-R127 PolarHBondContact O-N 2.63Å |
| 126 | P | 52.5 | Low | 70.7 | Confident | 127 Ų | 127 | 110 Ų | 110 | 83% | 0.825 | 58% | 0.575 | S | S | * | * | trans | -75 | 106.1 | -179.9 | 29.4 | -30.6 | 0 | 0 | 0 | 109.1 | A124 | A124-P126 WeakPolarHBondContact O-CD 3.48Š| ||
| 127 | R | 57.2 | Low | 70.9 | Confident | 206 Ų | 206 | 109.6 Ų | 109.6 | 78% | 0.777 | 57% | 0.572 | S | S | * | * | trans | -130.6 | 145.1 | 167.7 | -74.3 | -165 | 176.4 | 167.4 | 1.5 | 111 | Q125 V129 | Q125-R127 PolarHBondContact O-N 2.63Å; R127-V129 HydrophobicContact CB-CG2 4.41Å; R127-V129 PolarHBondContact O-N 3.23Å | ||
| 128 | L | 57.3 | Low | 70.7 | Confident | 190 Ų | 190 | 107.9 Ų | 107.9 | 100% | 0.995 | 57% | 0.567 | S | S | * | * | trans | -64.5 | 70.5 | 173.4 | -75.9 | 146.6 | 0 | 0 | 0 | 110.4 | ||||
| 129 | V | 60.6 | Low | 70.9 | Confident | 61 Ų | 61 | 109.3 Ų | 109.3 | 37% | 0.37 | 57% | 0.571 | S | S | . | * | trans | -83.4 | 141.5 | 170.9 | 178.3 | 0 | 0 | 0 | 0 | 107.4 | R127 E133 | R127-V129 HydrophobicContact CB-CG2 4.41Å; R127-V129 PolarHBondContact O-N 3.23Å; V129-E133 HydrophobicContact CG1-CB 3.38Å; V129-E133 HydrophobicContact CG1-CG 4.42Å | ||
| 130 | G | 68.8 | Low | 71.4 | Confident | 47 Ų | 47 | 112 Ų | 112 | 49% | 0.485 | 58% | 0.584 | S | S | . | * | trans | -64.6 | 144 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111 | Q132 E133 Q134 | G130-Q132 PolarHBondContact O-N 3.31Å; G130-E133 PolarHBondContact O-N 3.43Å; G130-Q134 PolarHBondContact O-N 2.89Å | ||
| 131 | D | 70.6 | Confident | 71.7 | Confident | 146 Ų | 146 | 110.4 Ų | 110.4 | 78% | 0.781 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -46.9 | -33.2 | -175.2 | -64.8 | -23.6 | 0 | 0 | 0 | 113.5 | E135 | D131-E135 PolarHBondContact O-N 2.82Å; D131-E135 VanDerWaalsContact O-N 3.16Å |
| 132 | Q | 76.7 | Confident | 72 | Confident | 168 Ų | 168 | 108.2 Ų | 108.2 | 79% | 0.785 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -72.2 | -32.3 | -178.6 | -165 | 163.9 | 16.8 | 0 | 0 | 114.9 | G130 L136 | G130-Q132 PolarHBondContact O-N 3.31Å; Q132-L136 PolarHBondContact O-N 2.88Å |
| 133 | E | 77.3 | Confident | 73 | Confident | 142 Ų | 142 | 106.1 Ų | 106.1 | 66% | 0.664 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -77.8 | -33.7 | 175.1 | -96.7 | -177.4 | 131.6 | 0 | 0 | 111.2 | V129 G130 L136 L137 | V129-E133 HydrophobicContact CG1-CB 3.38Å; V129-E133 HydrophobicContact CG1-CG 4.42Å; G130-E133 PolarHBondContact O-N 3.43Å; E133-L136 PolarHBondContact O-N 2.9Å; E133-L137 PolarHBondContact O-N 3.2Å |
| 134 | Q | 78 | Confident | 73.9 | Confident | 75 Ų | 75 | 102.9 Ų | 102.9 | 35% | 0.35 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.4 | -43.5 | 177.4 | -159.1 | 80.5 | 11.9 | 0 | 0 | 111.3 | G130 L136 L137 D138 | G130-Q134 PolarHBondContact O-N 2.89Å; Q134-L136 VanDerWaalsContact C-N 3.31Å; Q134-L136 PolarHBondContact O-N 3.49Å; Q134-L137 PolarHBondContact O-N 3.16Å; Q134-D138 PolarHBondContact O-N 3Å |
| 135 | E | 81.3 | Confident | 74.8 | Confident | 139 Ų | 139 | 102.1 Ų | 102.1 | 65% | 0.65 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.4 | -33.9 | 177.7 | -170 | 167.7 | -175.5 | 0 | 0 | 112.4 | D131 T139 | D131-E135 PolarHBondContact O-N 2.82Å; D131-E135 VanDerWaalsContact O-N 3.16Å; E135-T139 WeakPolarHBondContact O-CB 3.39Å; E135-T139 WeakPolarHBondContact O-CG2 3.5Å; E135-T139 PolarHBondContact O-N 3.24Å; E135-T139 PolarHBondContact O-OG1 2.95Å |
| 136 | L | 81.4 | Confident | 75.9 | Confident | 123 Ų | 123 | 103.3 Ų | 103.3 | 64% | 0.644 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -72.3 | -33.5 | 176.2 | -149.7 | 128.9 | 0 | 0 | 0 | 112.1 | Q132 E133 Q134 T139 L140 | Q132-L136 PolarHBondContact O-N 2.88Å; E133-L136 PolarHBondContact O-N 2.9Å; Q134-L136 VanDerWaalsContact C-N 3.31Å; Q134-L136 PolarHBondContact O-N 3.49Å; L136-T139 VanDerWaalsContact CA-OG1 3.31Å; L136-T139 WeakPolarHBondContact CA-OG1 3.42Å; L136-T139 PolarHBondContact O-OG1 3.42Å; L136-L140 WeakPolarHBondContact O-CB 3.48Å; L136-L140 PolarHBondContact O-N 3.45Å; L136-L140 VanDerWaalsContact O-N 3.11Å |
| 137 | L | 80.1 | Confident | 77.3 | Confident | 59 Ų | 59 | 102.7 Ų | 102.7 | 31% | 0.309 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -71.7 | -42.5 | 175.9 | -144.3 | 74.3 | 0 | 0 | 0 | 111.7 | L119 E133 Q134 L140 A141 | L119-L137 HydrophobicContact CD2-CD1 3.47Å; L119-L137 VanDerWaalsContact CD2-CD1 3.47Å; L119-L137 HydrophobicContact CD2-CD2 4.07Å; L119-L137 HydrophobicContact CD2-CG 3.69Å; E133-L137 PolarHBondContact O-N 3.2Å; Q134-L137 PolarHBondContact O-N 3.16Å; L137-L140 PolarHBondContact O-N 3.44Å; L137-A141 WeakPolarHBondContact O-CB 3.45Å; L137-A141 PolarHBondContact O-N 3Å |
| 138 | D | 80.4 | Confident | 78.4 | Confident | 81 Ų | 81 | 95.6 Ų | 95.6 | 43% | 0.433 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.5 | -40.4 | 177.3 | -85.7 | -3.3 | 0 | 0 | 0 | 111.8 | Q123 Q134 A141 D142 | Q123-D138 PolarHBondContact NE2-OD1 3.43Å; Q134-D138 PolarHBondContact O-N 3Å; D138-A141 PolarHBondContact O-N 3.25Å; D138-D142 PolarHBondContact O-N 3.35Å |
| 139 | T | 85 | Confident | 79.7 | Confident | 78 Ų | 78 | 89.1 Ų | 89.1 | 48% | 0.479 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.8 | -39.5 | 173.8 | 43.9 | 0 | 0 | 0 | 0 | 112 | E135 L136 D142 Q143 | E135-T139 WeakPolarHBondContact O-CB 3.39Å; E135-T139 WeakPolarHBondContact O-CG2 3.5Å; E135-T139 PolarHBondContact O-N 3.24Å; E135-T139 PolarHBondContact O-OG1 2.95Å; L136-T139 VanDerWaalsContact CA-OG1 3.31Å; L136-T139 WeakPolarHBondContact CA-OG1 3.42Å; L136-T139 PolarHBondContact O-OG1 3.42Å; T139-D142 PolarHBondContact O-N 2.95Å; T139-Q143 WeakPolarHBondContact O-CB 3.34Å; T139-Q143 VanDerWaalsContact O-CG 3.25Å; T139-Q143 WeakPolarHBondContact O-CG 3.27Å; T139-Q143 PolarHBondContact O-N 2.99Å |
| 140 | L | 82.7 | Confident | 81 | Confident | 81 Ų | 81 | 95.1 Ų | 95.1 | 42% | 0.424 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.1 | -40.6 | 175.1 | -173.2 | 64 | 0 | 0 | 0 | 111.8 | L119 L136 L137 D142 Q143 L144 | L119-L140 HydrophobicContact CD1-CD2 4.37Å; L136-L140 WeakPolarHBondContact O-CB 3.48Å; L136-L140 PolarHBondContact O-N 3.45Å; L136-L140 VanDerWaalsContact O-N 3.11Å; L137-L140 PolarHBondContact O-N 3.44Å; L140-D142 VanDerWaalsContact C-N 3.32Å; L140-D142 PolarHBondContact O-N 2.88Å; L140-Q143 PolarHBondContact O-N 3.44Å; L140-L144 HydrophobicContact CD1-CD1 4.08Å; L140-L144 HydrophobicContact CD1-CG 4.3Å; L140-L144 HydrophobicContact CD2-CD1 4.49Å; L140-L144 HydrophobicContact CG-CD1 3.81Å; L140-L144 HydrophobicContact CG-CG 4.48Å; L140-L144 WeakPolarHBondContact O-CB 3.49Å; L140-L144 WeakPolarHBondContact O-CD1 3.39Å; L140-L144 WeakPolarHBondContact O-CG 3.48Å; L140-L144 PolarHBondContact O-N 3.3Å; L140-L144 VanDerWaalsContact O-N 3.08Å |
| 141 | A | 81.4 | Confident | 81.5 | Confident | 38 Ų | 38 | 94.2 Ų | 94.2 | 31% | 0.314 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.1 | -31.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L137 D138 P145 | L137-A141 WeakPolarHBondContact O-CB 3.45Å; L137-A141 PolarHBondContact O-N 3Å; D138-A141 PolarHBondContact O-N 3.25Å; A141-P145 WeakPolarHBondContact O-CD 3Å; A141-P145 WeakPolarHBondContact O-CG 3Å |
| 142 | D | 84.1 | Confident | 82 | Confident | 72 Ų | 72 | 89.4 Ų | 89.4 | 39% | 0.385 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -79.5 | -35.7 | 175.1 | 178.7 | 75.6 | 0 | 0 | 0 | 113.5 | D138 T139 L140 R146 | D138-D142 PolarHBondContact O-N 3.35Å; T139-D142 PolarHBondContact O-N 2.95Å; L140-D142 VanDerWaalsContact C-N 3.32Å; L140-D142 PolarHBondContact O-N 2.88Å; D142-R146 VanDerWaalsContact CG-NH2 3.33Å; D142-R146 WeakPolarHBondContact O-CG 3.27Å; D142-R146 PolarHBondContact O-NE 3.45Å; D142-R146 IonicContact OD1-CZ 3.59Å; D142-R146 IonicContact OD1-NE 3.51Å; D142-R146 IonicContact OD1-NH2 2.79Å; D142-R146 PolarHBondContact OD1-NH2 2.76Å; D142-R146 IonicContact OD2-CZ 3.37Å; D142-R146 IonicContact OD2-NE 3.02Å; D142-R146 PolarHBondContact OD2-NE 2.98Å; D142-R146 IonicContact OD2-NH2 3.04Å; D142-R146 PolarHBondContact OD2-NH2 2.93Å |
| 143 | Q | 87.6 | Confident | 82.5 | Confident | 100 Ų | 100 | 86.7 Ų | 86.7 | 47% | 0.467 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -79.4 | -34.6 | -176.8 | -67.7 | -63.7 | -61.3 | 0 | 0 | 113.2 | T139 L140 R146 L147 | T139-Q143 WeakPolarHBondContact O-CB 3.34Å; T139-Q143 VanDerWaalsContact O-CG 3.25Å; T139-Q143 WeakPolarHBondContact O-CG 3.27Å; T139-Q143 PolarHBondContact O-N 2.99Å; L140-Q143 PolarHBondContact O-N 3.44Å; Q143-R146 PolarHBondContact O-N 2.63Å; Q143-L147 PolarHBondContact O-N 3.05Å; Q143-L147 VanDerWaalsContact O-N 3.11Å |
| 144 | L | 81.9 | Confident | 82.7 | Confident | 26 Ų | 26 | 84.2 Ų | 84.2 | 14% | 0.136 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -57.6 | -48.3 | -178.6 | -92.1 | 162.7 | 0 | 0 | 0 | 113.9 | Q112 L119 L140 R146 L147 L148 | Q112-L144 HydrophobicContact CG-CD2 3.7Å; Q112-L144 PolarHBondContact NE2-O 3.01Å; L119-L144 HydrophobicContact CD1-CD1 4.21Å; L140-L144 HydrophobicContact CD1-CD1 4.08Å; L140-L144 HydrophobicContact CD1-CG 4.3Å; L140-L144 HydrophobicContact CD2-CD1 4.49Å; L140-L144 HydrophobicContact CG-CD1 3.81Å; L140-L144 HydrophobicContact CG-CG 4.48Å; L140-L144 WeakPolarHBondContact O-CB 3.49Å; L140-L144 WeakPolarHBondContact O-CD1 3.39Å; L140-L144 WeakPolarHBondContact O-CG 3.48Å; L140-L144 PolarHBondContact O-N 3.3Å; L140-L144 VanDerWaalsContact O-N 3.08Å; L144-R146 VanDerWaalsContact C-N 3.31Å; L144-R146 PolarHBondContact O-N 2.74Å; L144-L147 PolarHBondContact O-N 2.89Å; L144-L148 PolarHBondContact O-N 3.29Å |
| 145 | P | 82.9 | Confident | 82.8 | Confident | 60 Ų | 60 | 82.5 Ų | 82.5 | 39% | 0.39 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.8 | -34.5 | 178.5 | -22.1 | 32.4 | 0 | 0 | 0 | 113.1 | A141 L148 A149 | A141-P145 WeakPolarHBondContact O-CD 3Å; A141-P145 WeakPolarHBondContact O-CG 3Å; P145-L148 PolarHBondContact O-N 2.95Å; P145-A149 WeakPolarHBondContact O-CB 3.44Å; P145-A149 PolarHBondContact O-N 2.98Å |
| 146 | R | 86.4 | Confident | 83 | Confident | 150 Ų | 150 | 79.9 Ų | 79.9 | 57% | 0.566 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -68.5 | -42.1 | 179.1 | -61.6 | 175.8 | -164.7 | -112.4 | 2.1 | 111.4 | D142 Q143 L144 R150 | D142-R146 VanDerWaalsContact CG-NH2 3.33Å; D142-R146 WeakPolarHBondContact O-CG 3.27Å; D142-R146 PolarHBondContact O-NE 3.45Å; D142-R146 IonicContact OD1-CZ 3.59Å; D142-R146 IonicContact OD1-NE 3.51Å; D142-R146 IonicContact OD1-NH2 2.79Å; D142-R146 PolarHBondContact OD1-NH2 2.76Å; D142-R146 IonicContact OD2-CZ 3.37Å; D142-R146 IonicContact OD2-NE 3.02Å; D142-R146 PolarHBondContact OD2-NE 2.98Å; D142-R146 IonicContact OD2-NH2 3.04Å; D142-R146 PolarHBondContact OD2-NH2 2.93Å; Q143-R146 PolarHBondContact O-N 2.63Å; L144-R146 VanDerWaalsContact C-N 3.31Å; L144-R146 PolarHBondContact O-N 2.74Å; R146-R150 PolarHBondContact O-N 2.96Å |
| 147 | L | 81.2 | Confident | 83.2 | Confident | 114 Ų | 114 | 79.2 Ų | 79.2 | 60% | 0.597 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -66.5 | -37.9 | 174.5 | -71.5 | 173.7 | 0 | 0 | 0 | 111.8 | Q143 L144 R150 A151 | Q143-L147 PolarHBondContact O-N 3.05Å; Q143-L147 VanDerWaalsContact O-N 3.11Å; L144-L147 PolarHBondContact O-N 2.89Å; L147-R150 PolarHBondContact O-N 2.82Å; L147-A151 WeakPolarHBondContact O-CB 3.31Å; L147-A151 PolarHBondContact O-N 2.73Å |
| 148 | L | 80.8 | Confident | 83.1 | Confident | 57 Ų | 57 | 79.8 Ų | 79.8 | 30% | 0.298 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.9 | -47.9 | 175.3 | -170.2 | 92.4 | 0 | 0 | 0 | 111.7 | E109 Q112 L144 P145 R150 A151 S152 | E109-L148 HydrophobicContact CG-CD1 4.17Å; Q112-L148 HydrophobicContact CG-CD1 4.37Å; Q112-L148 VanDerWaalsContact OE1-CD1 3.24Å; L144-L148 PolarHBondContact O-N 3.29Å; P145-L148 PolarHBondContact O-N 2.95Å; L148-R150 PolarHBondContact O-N 2.86Å; L148-A151 PolarHBondContact O-N 3.47Å; L148-A151 VanDerWaalsContact O-N 3.15Å; L148-S152 PolarHBondContact O-N 3.44Å; L148-S152 PolarHBondContact O-OG 2.95Å |
| 149 | A | 85.6 | Confident | 83.1 | Confident | 55 Ų | 55 | 80.4 Ų | 80.4 | 46% | 0.455 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -58.3 | -38.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | P145 S152 E153 | P145-A149 WeakPolarHBondContact O-CB 3.44Å; P145-A149 PolarHBondContact O-N 2.98Å; A149-S152 PolarHBondContact O-OG 3.02Å; A149-E153 WeakPolarHBondContact O-CB 3.19Å; A149-E153 PolarHBondContact O-N 2.95Å |
| 150 | R | 86.5 | Confident | 83.1 | Confident | 186 Ų | 186 | 78.8 Ų | 78.8 | 70% | 0.702 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -73.3 | -34.5 | 178 | -153.4 | 160.9 | -166.4 | 163.6 | 2.8 | 112.9 | R146 L147 L148 L154 | R146-R150 PolarHBondContact O-N 2.96Å; L147-R150 PolarHBondContact O-N 2.82Å; L148-R150 PolarHBondContact O-N 2.86Å; R150-L154 WeakPolarHBondContact O-CB 3.41Å; R150-L154 PolarHBondContact O-N 2.72Å; R150-L154 VanDerWaalsContact O-N 3.11Å |
| 151 | A | 79.3 | Confident | 83 | Confident | 28 Ų | 28 | 81.4 Ų | 81.4 | 23% | 0.231 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -68.7 | -41.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | L147 L148 L154 Q155 | L147-A151 WeakPolarHBondContact O-CB 3.31Å; L147-A151 PolarHBondContact O-N 2.73Å; L148-A151 PolarHBondContact O-N 3.47Å; L148-A151 VanDerWaalsContact O-N 3.15Å; A151-L154 PolarHBondContact O-N 3.31Å; A151-Q155 WeakPolarHBondContact O-CB 3.19Å; A151-Q155 PolarHBondContact O-N 3.03Å |
| 152 | S | 80.9 | Confident | 82.8 | Confident | 45 Ų | 45 | 86.5 Ų | 86.5 | 32% | 0.315 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -69.3 | -38.4 | 177.5 | 65.1 | 0 | 0 | 0 | 0 | 112 | L148 A149 Q155 T156 | L148-S152 PolarHBondContact O-N 3.44Å; L148-S152 PolarHBondContact O-OG 2.95Å; A149-S152 PolarHBondContact O-OG 3.02Å; S152-Q155 WeakPolarHBondContact O-CB 3.25Å; S152-Q155 PolarHBondContact O-N 3.27Å; S152-T156 WeakPolarHBondContact O-CG2 3.07Å; S152-T156 PolarHBondContact O-N 2.89Å |
| 153 | E | 87.5 | Confident | 82.8 | Confident | 112 Ų | 112 | 90.7 Ų | 90.7 | 52% | 0.523 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -56.8 | -52 | 170.5 | -176.1 | 173.6 | -158.8 | 0 | 0 | 110.9 | A149 Q155 T156 E157 | A149-E153 WeakPolarHBondContact O-CB 3.19Å; A149-E153 PolarHBondContact O-N 2.95Å; E153-Q155 VanDerWaalsContact C-N 3.26Å; E153-Q155 PolarHBondContact O-N 3.34Å; E153-T156 PolarHBondContact O-N 3.25Å; E153-T156 VanDerWaalsContact O-N 3.08Å; E153-T156 PolarHBondContact O-OG1 2.87Å; E153-E157 PolarHBondContact O-N 3.42Å |
| 154 | L | 80.7 | Confident | 82.4 | Confident | 90 Ų | 90 | 87.6 Ų | 87.6 | 47% | 0.471 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -59.8 | -35.9 | 178.1 | -145.4 | 89.7 | 0 | 0 | 0 | 112.5 | R150 A151 E157 C158 | R150-L154 WeakPolarHBondContact O-CB 3.41Å; R150-L154 PolarHBondContact O-N 2.72Å; R150-L154 VanDerWaalsContact O-N 3.11Å; A151-L154 PolarHBondContact O-N 3.31Å; L154-E157 PolarHBondContact O-N 2.98Å; L154-C158 WeakPolarHBondContact O-CB 3.38Å; L154-C158 PolarHBondContact O-N 3.35Å; L154-C158 PolarHBondContact O-SG 3.01Å |
| 155 | Q | 81.6 | Confident | 82.2 | Confident | 39 Ų | 39 | 91.3 Ų | 91.3 | 18% | 0.182 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -65.4 | -42 | 176.2 | -179.3 | 178.2 | -20.1 | 0 | 0 | 111.5 | A151 S152 E153 C158 M159 | A151-Q155 WeakPolarHBondContact O-CB 3.19Å; A151-Q155 PolarHBondContact O-N 3.03Å; S152-Q155 WeakPolarHBondContact O-CB 3.25Å; S152-Q155 PolarHBondContact O-N 3.27Å; E153-Q155 VanDerWaalsContact C-N 3.26Å; E153-Q155 PolarHBondContact O-N 3.34Å; Q155-C158 PolarHBondContact O-N 2.96Å; Q155-M159 HydrophobicContact CG-CE 4.39Å; Q155-M159 WeakPolarHBondContact O-CG 3.4Å; Q155-M159 PolarHBondContact O-N 3.39Å |
| 156 | T | 85 | Confident | 81.8 | Confident | 84 Ų | 84 | 90.3 Ų | 90.3 | 52% | 0.515 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.2 | -41.1 | 176 | 63.5 | 0 | 0 | 0 | 0 | 112.1 | S152 E153 M159 G160 | S152-T156 WeakPolarHBondContact O-CG2 3.07Å; S152-T156 PolarHBondContact O-N 2.89Å; E153-T156 PolarHBondContact O-N 3.25Å; E153-T156 VanDerWaalsContact O-N 3.08Å; E153-T156 PolarHBondContact O-OG1 2.87Å; T156-M159 HydrophobicContact CG2-CE 4.34Å; T156-M159 PolarHBondContact O-N 2.9Å; T156-G160 PolarHBondContact O-N 3.27Å |
| 157 | E | 85.1 | Confident | 81.5 | Confident | 109 Ų | 109 | 87 Ų | 87 | 51% | 0.509 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.9 | -45.5 | 174.4 | -69.7 | -172 | 162.4 | 0 | 0 | 111.8 | E153 L154 M159 G160 L161 | E153-E157 PolarHBondContact O-N 3.42Å; L154-E157 PolarHBondContact O-N 2.98Å; E157-M159 PolarHBondContact O-N 2.85Å; E157-G160 PolarHBondContact O-N 3.29Å; E157-L161 PolarHBondContact O-N 3.23Å |
| 158 | C | 78.8 | Confident | 81.3 | Confident | 70 Ų | 70 | 86.5 Ų | 86.5 | 47% | 0.473 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62 | -42.3 | 177.7 | -70.4 | 0 | 0 | 0 | 0 | 112.3 | L154 Q155 G160 L161 R162 | L154-C158 WeakPolarHBondContact O-CB 3.38Å; L154-C158 PolarHBondContact O-N 3.35Å; L154-C158 PolarHBondContact O-SG 3.01Å; Q155-C158 PolarHBondContact O-N 2.96Å; C158-G160 VanDerWaalsContact C-N 3.34Å; C158-L161 PolarHBondContact O-N 2.68Å; C158-R162 WeakPolarHBondContact O-CB 3.42Å; C158-R162 PolarHBondContact O-N 3.04Å |
| 159 | M | 80.9 | Confident | 81.1 | Confident | 95 Ų | 95 | 85.5 Ų | 85.5 | 47% | 0.468 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.1 | -40.2 | 174.7 | -72.7 | -168.8 | -61.8 | 0 | 0 | 111.7 | Q155 T156 E157 R162 K163 | Q155-M159 HydrophobicContact CG-CE 4.39Å; Q155-M159 WeakPolarHBondContact O-CG 3.4Å; Q155-M159 PolarHBondContact O-N 3.39Å; T156-M159 HydrophobicContact CG2-CE 4.34Å; T156-M159 PolarHBondContact O-N 2.9Å; E157-M159 PolarHBondContact O-N 2.85Å; M159-R162 PolarHBondContact O-N 3.3Å; M159-K163 WeakPolarHBondContact O-CB 3.22Å; M159-K163 PolarHBondContact O-N 2.02Å |
| 160 | G | 84.8 | Confident | 80.8 | Confident | 43 Ų | 43 | 89.4 Ų | 89.4 | 44% | 0.443 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.8 | -48.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | T156 E157 C158 R162 K163 G164 | T156-G160 PolarHBondContact O-N 3.27Å; E157-G160 PolarHBondContact O-N 3.29Å; C158-G160 VanDerWaalsContact C-N 3.34Å; G160-R162 PolarHBondContact O-N 2.93Å; G160-K163 PolarHBondContact O-N 2.95Å; G160-G164 PolarHBondContact O-N 3.32Å |
| 161 | L | 79.3 | Confident | 80.6 | Confident | 136 Ų | 136 | 82.1 Ų | 82.1 | 71% | 0.712 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -60.2 | -44.4 | 175.6 | -103.8 | 74.2 | 0 | 0 | 0 | 111.8 | E157 C158 K163 G164 H165 | E157-L161 PolarHBondContact O-N 3.23Å; C158-L161 PolarHBondContact O-N 2.68Å; L161-K163 VanDerWaalsContact C-N 3.34Å; L161-K163 PolarHBondContact O-N 3.45Å; L161-G164 PolarHBondContact O-N 3.43Å; L161-H165 WeakPolarHBondContact O-CB 3.46Å; L161-H165 PolarHBondContact O-N 2.9Å |
| 162 | R | 78.8 | Confident | 80.5 | Confident | 145 Ų | 145 | 83.9 Ų | 83.9 | 55% | 0.547 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -60.1 | -43.5 | 177.1 | 176.8 | 177.4 | -82.6 | 171.3 | -5.5 | 111.6 | D100 C158 M159 G160 H165 G166 | D100-R162 IonicContact OD1-CZ 3.19Å; D100-R162 IonicContact OD1-NH1 2.79Å; D100-R162 PolarHBondContact OD1-NH1 2.64Å; D100-R162 IonicContact OD1-NH2 2.66Å; D100-R162 PolarHBondContact OD1-NH2 2.95Å; C158-R162 WeakPolarHBondContact O-CB 3.42Å; C158-R162 PolarHBondContact O-N 3.04Å; M159-R162 PolarHBondContact O-N 3.3Å; G160-R162 PolarHBondContact O-N 2.93Å; R162-H165 PolarHBondContact O-N 2.58Å; R162-G166 PolarHBondContact O-N 3.44Å |
| 163 | K | 82.8 | Confident | 80.1 | Confident | 161 Ų | 161 | 85 Ų | 85 | 70% | 0.7 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -63 | -44.7 | 175.6 | -174.4 | 177.5 | 179.5 | -179.6 | 0 | 111.2 | M159 G160 L161 H165 G166 T167 | M159-K163 WeakPolarHBondContact O-CB 3.22Å; M159-K163 PolarHBondContact O-N 2.02Å; G160-K163 PolarHBondContact O-N 2.95Å; L161-K163 VanDerWaalsContact C-N 3.34Å; L161-K163 PolarHBondContact O-N 3.45Å; K163-H165 VanDerWaalsContact C-N 3.32Å; K163-H165 PolarHBondContact O-N 3.28Å; K163-G166 PolarHBondContact O-N 3.43Å; K163-T167 PolarHBondContact O-N 2.9Å |
| 164 | G | 80.7 | Confident | 79.8 | Confident | 35 Ų | 35 | 82 Ų | 82 | 36% | 0.361 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -57.8 | -44.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | G160 L161 G166 T167 L168 | G160-G164 PolarHBondContact O-N 3.32Å; L161-G164 PolarHBondContact O-N 3.43Å; G164-G166 VanDerWaalsContact C-N 3.35Å; G164-G166 PolarHBondContact O-N 2.91Å; G164-T167 WeakPolarHBondContact CA-OG1 3.38Å; G164-T167 PolarHBondContact O-N 2.9Å; G164-T167 PolarHBondContact O-OG1 3.44Å; G164-L168 WeakPolarHBondContact O-CB 3.25Å; G164-L168 PolarHBondContact O-N 3.47Å |
| 165 | H | 76.2 | Confident | 79.8 | Confident | 103 Ų | 103 | 83.4 Ų | 83.4 | 48% | 0.477 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.3 | -40.9 | 176.3 | -162.2 | 78 | 0 | 0 | 0 | 112.1 | L161 R162 K163 L168 G169 | L161-H165 WeakPolarHBondContact O-CB 3.46Å; L161-H165 PolarHBondContact O-N 2.9Å; R162-H165 PolarHBondContact O-N 2.58Å; K163-H165 VanDerWaalsContact C-N 3.32Å; K163-H165 PolarHBondContact O-N 3.28Å; H165-L168 PolarHBondContact O-N 3.32Å; H165-G169 PolarHBondContact O-N 2.92Å |
| 166 | G | 74.8 | Confident | 79.7 | Confident | 39 Ų | 39 | 85.5 Ų | 85.5 | 40% | 0.402 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.4 | -44.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | R162 K163 G164 L168 G169 Q170 | R162-G166 PolarHBondContact O-N 3.44Å; K163-G166 PolarHBondContact O-N 3.43Å; G164-G166 VanDerWaalsContact C-N 3.35Å; G164-G166 PolarHBondContact O-N 2.91Å; G166-L168 VanDerWaalsContact C-N 3.34Å; G166-L168 PolarHBondContact O-N 3.33Å; G166-G169 PolarHBondContact O-N 3.37Å; G166-Q170 WeakPolarHBondContact O-CG 3.43Å; G166-Q170 PolarHBondContact O-N 3.33Å |
| 167 | T | 80.2 | Confident | 79.4 | Confident | 80 Ų | 80 | 85 Ų | 85 | 49% | 0.491 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.4 | -37.5 | 176.3 | 56.9 | 0 | 0 | 0 | 0 | 112.6 | K163 G164 Q170 G171 | K163-T167 PolarHBondContact O-N 2.9Å; G164-T167 WeakPolarHBondContact CA-OG1 3.38Å; G164-T167 PolarHBondContact O-N 2.9Å; G164-T167 PolarHBondContact O-OG1 3.44Å; T167-Q170 PolarHBondContact O-N 3.17Å; T167-G171 PolarHBondContact O-N 2.92Å |
| 168 | L | 76.8 | Confident | 79.7 | Confident | 104 Ų | 104 | 84.6 Ų | 84.6 | 55% | 0.545 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.8 | -42.2 | 177 | -163.5 | 108.8 | 0 | 0 | 0 | 110.9 | G164 H165 G166 Q170 G171 L172 | G164-L168 WeakPolarHBondContact O-CB 3.25Å; G164-L168 PolarHBondContact O-N 3.47Å; H165-L168 PolarHBondContact O-N 3.32Å; G166-L168 VanDerWaalsContact C-N 3.34Å; G166-L168 PolarHBondContact O-N 3.33Å; L168-Q170 PolarHBondContact O-N 2.83Å; L168-G171 PolarHBondContact O-N 3.01Å; L168-L172 HydrophobicContact CD2-CD1 4.05Å; L168-L172 WeakPolarHBondContact O-CG 3.46Å; L168-L172 PolarHBondContact O-N 3.47Å |
| 169 | G | 77.2 | Confident | 79.7 | Confident | 37 Ų | 37 | 83.2 Ų | 83.2 | 38% | 0.381 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.3 | -43.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | H165 G166 L172 S173 | H165-G169 PolarHBondContact O-N 2.92Å; G166-G169 PolarHBondContact O-N 3.37Å; G169-L172 PolarHBondContact O-N 2.98Å; G169-S173 PolarHBondContact O-N 2.61Å |
| 170 | Q | 78.9 | Confident | 79.6 | Confident | 136 Ų | 136 | 80.6 Ų | 80.6 | 64% | 0.636 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -61 | -46.2 | 173.1 | -75.1 | 176.2 | -17.5 | 0 | 0 | 111.8 | G166 T167 L168 L172 S173 A174 | G166-Q170 WeakPolarHBondContact O-CG 3.43Å; G166-Q170 PolarHBondContact O-N 3.33Å; T167-Q170 PolarHBondContact O-N 3.17Å; L168-Q170 PolarHBondContact O-N 2.83Å; Q170-L172 PolarHBondContact O-N 2.87Å; Q170-S173 PolarHBondContact O-N 3.19Å; Q170-S173 PolarHBondContact O-OG 2.91Å; Q170-A174 PolarHBondContact O-N 3.4Å |
| 171 | G | 82 | Confident | 79.9 | Confident | 33 Ų | 33 | 86.1 Ų | 86.1 | 34% | 0.34 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.8 | -43.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | T167 L168 A174 L175 | T167-G171 PolarHBondContact O-N 2.92Å; L168-G171 PolarHBondContact O-N 3.01Å; G171-A174 PolarHBondContact O-N 3.41Å; G171-L175 PolarHBondContact O-N 3.46Å |
| 172 | L | 78.2 | Confident | 80.4 | Confident | 65 Ų | 65 | 84.4 Ų | 84.4 | 34% | 0.34 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.8 | -42.7 | 175.6 | -74.7 | 171.6 | 0 | 0 | 0 | 111.9 | L168 G169 Q170 A174 L175 Q176 | L168-L172 HydrophobicContact CD2-CD1 4.05Å; L168-L172 WeakPolarHBondContact O-CG 3.46Å; L168-L172 PolarHBondContact O-N 3.47Å; G169-L172 PolarHBondContact O-N 2.98Å; Q170-L172 PolarHBondContact O-N 2.87Å; L172-A174 VanDerWaalsContact C-N 3.32Å; L172-A174 PolarHBondContact O-N 3.22Å; L172-L175 PolarHBondContact O-N 3.38Å; L172-Q176 WeakPolarHBondContact O-CB 3.42Å; L172-Q176 PolarHBondContact O-N 3.31Å |
| 173 | S | 71.1 | Confident | 80.3 | Confident | 68 Ų | 68 | 81.7 Ų | 81.7 | 48% | 0.476 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.5 | -37.6 | 176.5 | 71.7 | 0 | 0 | 0 | 0 | 112.6 | G169 Q170 Q176 S177 | G169-S173 PolarHBondContact O-N 2.61Å; Q170-S173 PolarHBondContact O-N 3.19Å; Q170-S173 PolarHBondContact O-OG 2.91Å; S173-Q176 PolarHBondContact O-N 3.33Å; S173-S177 PolarHBondContact O-N 3.35Å |
| 174 | A | 82.1 | Confident | 80.6 | Confident | 51 Ų | 51 | 80.1 Ų | 80.1 | 42% | 0.421 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -66.2 | -46.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q170 G171 L172 Q176 S177 E178 | Q170-A174 PolarHBondContact O-N 3.4Å; G171-A174 PolarHBondContact O-N 3.41Å; L172-A174 VanDerWaalsContact C-N 3.32Å; L172-A174 PolarHBondContact O-N 3.22Å; A174-Q176 VanDerWaalsContact C-N 3.32Å; A174-Q176 PolarHBondContact O-N 2.96Å; A174-S177 PolarHBondContact O-N 3.41Å; A174-S177 VanDerWaalsContact O-N 3.16Å; A174-S177 PolarHBondContact O-OG 2.91Å; A174-E178 PolarHBondContact O-N 3.36Å |
| 175 | L | 81.1 | Confident | 81.1 | Confident | 118 Ų | 118 | 82.6 Ų | 82.6 | 62% | 0.618 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -58.3 | -42.9 | 174.2 | -85.8 | 153.5 | 0 | 0 | 0 | 112.2 | G171 L172 S177 E178 Q179 | G171-L175 PolarHBondContact O-N 3.46Å; L172-L175 PolarHBondContact O-N 3.38Å; L175-S177 VanDerWaalsContact C-N 3.31Å; L175-S177 PolarHBondContact O-N 3.01Å; L175-E178 PolarHBondContact O-N 2.94Å; L175-Q179 WeakPolarHBondContact O-CB 3.45Å; L175-Q179 PolarHBondContact O-N 3.37Å |
| 176 | Q | 78.1 | Confident | 81.6 | Confident | 83 Ų | 83 | 82.6 Ų | 82.6 | 39% | 0.388 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.7 | -38.3 | 177 | -169.6 | 172.4 | 7.8 | 0 | 0 | 111.6 | L172 S173 A174 Q179 G180 | L172-Q176 WeakPolarHBondContact O-CB 3.42Å; L172-Q176 PolarHBondContact O-N 3.31Å; S173-Q176 PolarHBondContact O-N 3.33Å; A174-Q176 VanDerWaalsContact C-N 3.32Å; A174-Q176 PolarHBondContact O-N 2.96Å; Q176-Q179 PolarHBondContact O-N 2.87Å; Q176-G180 PolarHBondContact O-N 2.97Å |
| 177 | S | 80.6 | Confident | 82.1 | Confident | 74 Ų | 74 | 84.1 Ų | 84.1 | 52% | 0.517 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66.8 | -41.8 | 175.9 | 77.1 | 0 | 0 | 0 | 0 | 112.7 | S173 A174 L175 Q179 G180 R181 | S173-S177 PolarHBondContact O-N 3.35Å; A174-S177 PolarHBondContact O-N 3.41Å; A174-S177 VanDerWaalsContact O-N 3.16Å; A174-S177 PolarHBondContact O-OG 2.91Å; L175-S177 VanDerWaalsContact C-N 3.31Å; L175-S177 PolarHBondContact O-N 3.01Å; S177-Q179 VanDerWaalsContact C-N 3.34Å; S177-G180 PolarHBondContact O-N 3.42Å; S177-R181 WeakPolarHBondContact O-CB 3.32Å; S177-R181 PolarHBondContact O-N 2.95Å |
| 178 | E | 89.8 | Confident | 82.5 | Confident | 100 Ų | 100 | 85.3 Ų | 85.3 | 47% | 0.467 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.4 | -40 | 174.6 | -80 | -61.4 | 150.6 | 0 | 0 | 111.5 | A174 L175 R181 L182 | A174-E178 PolarHBondContact O-N 3.36Å; L175-E178 PolarHBondContact O-N 2.94Å; E178-R181 WeakPolarHBondContact O-CB 3.41Å; E178-R181 PolarHBondContact O-N 3.25Å; E178-L182 WeakPolarHBondContact O-CG 3.26Å; E178-L182 PolarHBondContact O-N 2.91Å |
| 179 | Q | 79.9 | Confident | 83.1 | Confident | 42 Ų | 42 | 83 Ų | 83 | 20% | 0.196 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -64.6 | -43 | 175.9 | -167.8 | 170.2 | 24.6 | 0 | 0 | 111.9 | P66 L175 Q176 S177 R181 L182 I183 | P66-Q179 PolarHBondContact O-NE2 3.29Å; L175-Q179 WeakPolarHBondContact O-CB 3.45Å; L175-Q179 PolarHBondContact O-N 3.37Å; Q176-Q179 PolarHBondContact O-N 2.87Å; S177-Q179 VanDerWaalsContact C-N 3.34Å; Q179-R181 VanDerWaalsContact C-N 3.29Å; Q179-R181 PolarHBondContact O-N 3.43Å; Q179-L182 PolarHBondContact O-N 3.34Å; Q179-I183 HydrophobicContact CG-CD1 4.24Å; Q179-I183 VanDerWaalsContact O-CG1 3.3Å; Q179-I183 WeakPolarHBondContact O-CG1 3.39Å; Q179-I183 PolarHBondContact O-N 2.94Å |
| 180 | G | 78.3 | Confident | 83.4 | Confident | 40 Ų | 40 | 87 Ų | 87 | 41% | 0.412 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59.2 | -41.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q176 S177 I183 Q184 | Q176-G180 PolarHBondContact O-N 2.97Å; S177-G180 PolarHBondContact O-N 3.42Å; G180-I183 PolarHBondContact O-N 3.27Å; G180-Q184 PolarHBondContact O-N 2.86Å |
| 181 | R | 90.9 | Very high | 83.9 | Confident | 158 Ų | 158 | 82.6 Ų | 82.6 | 60% | 0.596 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -64.9 | -42.1 | 175.3 | -179.3 | -178.8 | 154.1 | 148.4 | -2.6 | 112.5 | S177 E178 Q179 Q184 L185 | S177-R181 WeakPolarHBondContact O-CB 3.32Å; S177-R181 PolarHBondContact O-N 2.95Å; E178-R181 WeakPolarHBondContact O-CB 3.41Å; E178-R181 PolarHBondContact O-N 3.25Å; Q179-R181 VanDerWaalsContact C-N 3.29Å; Q179-R181 PolarHBondContact O-N 3.43Å; R181-Q184 WeakPolarHBondContact O-CB 3.35Å; R181-Q184 PolarHBondContact O-N 2.76Å; R181-L185 HydrophobicContact CG-CD1 4.43Å; R181-L185 WeakPolarHBondContact O-CG 3.42Å; R181-L185 PolarHBondContact O-N 2.95Å |
| 182 | L | 89.2 | Confident | 84.4 | Confident | 101 Ų | 101 | 86.5 Ų | 86.5 | 53% | 0.529 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.3 | -41.4 | 176 | -79.3 | 168.6 | 0 | 0 | 0 | 112.1 | E178 Q179 Q184 L185 L186 | E178-L182 WeakPolarHBondContact O-CG 3.26Å; E178-L182 PolarHBondContact O-N 2.91Å; Q179-L182 PolarHBondContact O-N 3.34Å; L182-Q184 VanDerWaalsContact C-N 3.3Å; L182-Q184 PolarHBondContact O-N 3.04Å; L182-L185 PolarHBondContact O-N 2.98Å; L182-L186 WeakPolarHBondContact O-CB 3.46Å; L182-L186 WeakPolarHBondContact O-CG 3.36Å; L182-L186 PolarHBondContact O-N 3.17Å |
| 183 | I | 78.1 | Confident | 84.8 | Confident | 88 Ų | 88 | 88.4 Ų | 88.4 | 45% | 0.451 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.8 | -43.2 | 175.1 | -68.7 | 165.9 | 0 | 0 | 0 | 110.2 | Q179 G180 L186 S187 | Q179-I183 HydrophobicContact CG-CD1 4.24Å; Q179-I183 VanDerWaalsContact O-CG1 3.3Å; Q179-I183 WeakPolarHBondContact O-CG1 3.39Å; Q179-I183 PolarHBondContact O-N 2.94Å; G180-I183 PolarHBondContact O-N 3.27Å; I183-L186 PolarHBondContact O-N 2.86Å; I183-S187 WeakPolarHBondContact O-CB 3.37Å; I183-S187 PolarHBondContact O-N 3.21Å |
| 184 | Q | 88.3 | Confident | 85.5 | Confident | 128 Ų | 128 | 87.6 Ų | 87.6 | 60% | 0.598 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -60.4 | -47.9 | 176.9 | -169.4 | 69.6 | 7.9 | 0 | 0 | 111.7 | G180 R181 L182 L186 S187 E188 | G180-Q184 PolarHBondContact O-N 2.86Å; R181-Q184 WeakPolarHBondContact O-CB 3.35Å; R181-Q184 PolarHBondContact O-N 2.76Å; L182-Q184 VanDerWaalsContact C-N 3.3Å; L182-Q184 PolarHBondContact O-N 3.04Å; Q184-L186 VanDerWaalsContact C-N 3.33Å; Q184-L186 PolarHBondContact O-N 2.89Å; Q184-S187 PolarHBondContact O-N 3.46Å; Q184-E188 WeakPolarHBondContact O-CB 3.01Å; Q184-E188 PolarHBondContact O-N 3.49Å |
| 185 | L | 91.8 | Very high | 86 | Confident | 87 Ų | 87 | 91.3 Ų | 91.3 | 46% | 0.455 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.9 | -38.8 | 178.1 | -72.7 | 171.2 | 0 | 0 | 0 | 112.4 | R181 L182 E188 S189 | R181-L185 HydrophobicContact CG-CD1 4.43Å; R181-L185 WeakPolarHBondContact O-CG 3.42Å; R181-L185 PolarHBondContact O-N 2.95Å; L182-L185 PolarHBondContact O-N 2.98Å; L185-E188 PolarHBondContact O-N 3.35Å; L185-S189 VanDerWaalsContact O-CB 3.25Å; L185-S189 WeakPolarHBondContact O-CB 3.39Å; L185-S189 PolarHBondContact O-N 3.4Å |
| 186 | L | 85.9 | Confident | 86.6 | Confident | 102 Ų | 102 | 90.9 Ų | 90.9 | 53% | 0.534 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.7 | -44 | 175.8 | -80 | 164.3 | 0 | 0 | 0 | 111.5 | L182 I183 Q184 E188 S189 Q190 | L182-L186 WeakPolarHBondContact O-CB 3.46Å; L182-L186 WeakPolarHBondContact O-CG 3.36Å; L182-L186 PolarHBondContact O-N 3.17Å; I183-L186 PolarHBondContact O-N 2.86Å; Q184-L186 VanDerWaalsContact C-N 3.33Å; Q184-L186 PolarHBondContact O-N 2.89Å; L186-E188 VanDerWaalsContact C-N 3.32Å; L186-E188 PolarHBondContact O-N 3.47Å; L186-S189 PolarHBondContact O-N 2.87Å; L186-Q190 WeakPolarHBondContact O-CB 3.46Å; L186-Q190 VanDerWaalsContact O-CG 3.22Å; L186-Q190 WeakPolarHBondContact O-CG 3.4Å; L186-Q190 PolarHBondContact O-N 2.95Å |
| 187 | S | 85.4 | Confident | 87.2 | Confident | 72 Ų | 72 | 91.3 Ų | 91.3 | 50% | 0.503 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.2 | -41.3 | 175.9 | -174.6 | 0 | 0 | 0 | 0 | 111.7 | I183 Q184 Q190 G191 | I183-S187 WeakPolarHBondContact O-CB 3.37Å; I183-S187 PolarHBondContact O-N 3.21Å; Q184-S187 PolarHBondContact O-N 3.46Å; S187-Q190 PolarHBondContact O-N 2.85Å; S187-G191 PolarHBondContact O-N 3.4Å |
| 188 | E | 89.4 | Confident | 87.7 | Confident | 104 Ų | 104 | 92.5 Ų | 92.5 | 49% | 0.486 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.9 | -42.3 | 179.6 | -169.2 | 167.5 | -155.9 | 0 | 0 | 111.5 | Q184 L185 L186 G191 H192 | Q184-E188 WeakPolarHBondContact O-CB 3.01Å; Q184-E188 PolarHBondContact O-N 3.49Å; L185-E188 PolarHBondContact O-N 3.35Å; L186-E188 VanDerWaalsContact C-N 3.32Å; L186-E188 PolarHBondContact O-N 3.47Å; E188-G191 PolarHBondContact O-N 3.33Å; E188-H192 PolarHBondContact O-N 2.92Å; E188-H192 PolarHBondContact O-ND1 2.88Å |
| 189 | S | 88.8 | Confident | 87.9 | Confident | 55 Ų | 55 | 90 Ų | 90 | 39% | 0.385 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.1 | -45.6 | 171.1 | 165.9 | 0 | 0 | 0 | 0 | 112.3 | L185 L186 G191 H192 M193 | L185-S189 VanDerWaalsContact O-CB 3.25Å; L185-S189 WeakPolarHBondContact O-CB 3.39Å; L185-S189 PolarHBondContact O-N 3.4Å; L186-S189 PolarHBondContact O-N 2.87Å; S189-G191 VanDerWaalsContact C-N 3.33Å; S189-G191 PolarHBondContact O-N 2.87Å; S189-H192 PolarHBondContact O-N 3.12Å; S189-M193 PolarHBondContact O-N 3.41Å |
| 190 | Q | 83.4 | Confident | 88.6 | Confident | 123 Ų | 123 | 92 Ų | 92 | 58% | 0.575 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.4 | -40.2 | 177 | -75.4 | 174.7 | 4.7 | 0 | 0 | 111.8 | L186 S187 M193 A194 | L186-Q190 WeakPolarHBondContact O-CB 3.46Å; L186-Q190 VanDerWaalsContact O-CG 3.22Å; L186-Q190 WeakPolarHBondContact O-CG 3.4Å; L186-Q190 PolarHBondContact O-N 2.95Å; S187-Q190 PolarHBondContact O-N 2.85Å; Q190-M193 PolarHBondContact O-N 3Å; Q190-A194 WeakPolarHBondContact O-CB 3.47Å; Q190-A194 PolarHBondContact O-N 3.02Å |
| 191 | G | 89.6 | Confident | 89.2 | Confident | 42 Ų | 42 | 93 Ų | 93 | 43% | 0.433 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.9 | -46.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | S187 E188 S189 A194 H195 | S187-G191 PolarHBondContact O-N 3.4Å; E188-G191 PolarHBondContact O-N 3.33Å; S189-G191 VanDerWaalsContact C-N 3.33Å; S189-G191 PolarHBondContact O-N 2.87Å; G191-A194 PolarHBondContact O-N 2.76Å; G191-H195 PolarHBondContact O-N 3.31Å |
| 192 | H | 91.6 | Very high | 89.3 | Confident | 115 Ų | 115 | 90.4 Ų | 90.4 | 53% | 0.532 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63 | -42.6 | 176.6 | -72 | 113.7 | 0 | 0 | 0 | 112.6 | E188 S189 H195 L196 | E188-H192 PolarHBondContact O-N 2.92Å; E188-H192 PolarHBondContact O-ND1 2.88Å; S189-H192 PolarHBondContact O-N 3.12Å; H192-H195 PolarHBondContact O-N 2.88Å; H192-L196 WeakPolarHBondContact O-CG 3.29Å; H192-L196 PolarHBondContact O-N 2.93Å |
| 193 | M | 87.9 | Confident | 89.5 | Confident | 105 Ų | 105 | 90.1 Ų | 90.1 | 52% | 0.517 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.2 | -43 | 176.2 | -74.3 | -164.8 | -67.4 | 0 | 0 | 112 | S189 Q190 H195 L196 V197 | S189-M193 PolarHBondContact O-N 3.41Å; Q190-M193 PolarHBondContact O-N 3Å; M193-H195 VanDerWaalsContact C-N 3.3Å; M193-H195 PolarHBondContact O-N 2.9Å; M193-L196 PolarHBondContact O-N 3.39Å; M193-V197 WeakPolarHBondContact O-CG2 2.92Å; M193-V197 PolarHBondContact O-N 2.83Å |
| 194 | A | 86.1 | Confident | 89.8 | Confident | 52 Ų | 52 | 90.7 Ų | 90.7 | 43% | 0.43 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60 | -42.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q190 G191 V197 N198 | Q190-A194 WeakPolarHBondContact O-CB 3.47Å; Q190-A194 PolarHBondContact O-N 3.02Å; G191-A194 PolarHBondContact O-N 2.76Å; A194-V197 PolarHBondContact O-N 2.99Å; A194-N198 VanDerWaalsContact O-CG 3.28Å; A194-N198 PolarHBondContact O-N 3.12Å; A194-N198 PolarHBondContact O-ND2 3.17Å |
| 195 | H | 91.5 | Very high | 89.6 | Confident | 129 Ų | 129 | 87.8 Ų | 87.8 | 60% | 0.597 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.2 | -43.2 | 175.6 | -177.1 | -84.7 | 0 | 0 | 0 | 112.5 | G191 H192 M193 N198 S199 | G191-H195 PolarHBondContact O-N 3.31Å; H192-H195 PolarHBondContact O-N 2.88Å; M193-H195 VanDerWaalsContact C-N 3.3Å; M193-H195 PolarHBondContact O-N 2.9Å; H195-N198 PolarHBondContact O-N 3.47Å; H195-S199 WeakPolarHBondContact O-CB 3.45Å; H195-S199 PolarHBondContact O-N 3.1Å |
| 196 | L | 94.2 | Very high | 89.2 | Confident | 108 Ų | 108 | 86.1 Ų | 86.1 | 57% | 0.565 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.7 | -43.7 | 175.4 | -79.1 | 157.7 | 0 | 0 | 0 | 111.7 | H192 M193 N198 S199 V200 | H192-L196 WeakPolarHBondContact O-CG 3.29Å; H192-L196 PolarHBondContact O-N 2.93Å; M193-L196 PolarHBondContact O-N 3.39Å; L196-N198 VanDerWaalsContact C-N 3.34Å; L196-N198 PolarHBondContact O-N 3.4Å; L196-S199 PolarHBondContact O-N 3.49Å; L196-V200 WeakPolarHBondContact O-CB 3.34Å; L196-V200 VanDerWaalsContact O-CG2 3.29Å; L196-V200 WeakPolarHBondContact O-CG2 3.41Å; L196-V200 PolarHBondContact O-N 2.75Å |
| 197 | V | 91.5 | Very high | 88.9 | Confident | 92 Ų | 92 | 85.8 Ų | 85.8 | 56% | 0.558 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.7 | -41.7 | 177.7 | 170.3 | 0 | 0 | 0 | 0 | 111.5 | M193 A194 S201 | M193-V197 WeakPolarHBondContact O-CG2 2.92Å; M193-V197 PolarHBondContact O-N 2.83Å; A194-V197 PolarHBondContact O-N 2.99Å; V197-S201 WeakPolarHBondContact O-CB 3.43Å; V197-S201 PolarHBondContact O-N 2.66Å; V197-S201 PolarHBondContact O-OG 2.9Å |
| 198 | N | 90.3 | Very high | 88.4 | Confident | 100 Ų | 100 | 87.6 Ų | 87.6 | 54% | 0.535 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.5 | -47.6 | 176.6 | -69.9 | -17.9 | 0 | 0 | 0 | 111.3 | A194 H195 L196 V200 S201 D202 | A194-N198 VanDerWaalsContact O-CG 3.28Å; A194-N198 PolarHBondContact O-N 3.12Å; A194-N198 PolarHBondContact O-ND2 3.17Å; H195-N198 PolarHBondContact O-N 3.47Å; L196-N198 VanDerWaalsContact C-N 3.34Å; L196-N198 PolarHBondContact O-N 3.4Å; N198-V200 PolarHBondContact O-N 3.19Å; N198-S201 WeakPolarHBondContact O-CB 3.4Å; N198-S201 PolarHBondContact O-N 2.99Å; N198-S201 VanDerWaalsContact O-N 3.12Å; N198-D202 VanDerWaalsContact O-CG 3.31Å; N198-D202 PolarHBondContact O-N 3.48Å |
| 199 | S | 94.5 | Very high | 87.6 | Confident | 47 Ų | 47 | 90.6 Ų | 90.6 | 33% | 0.329 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.5 | -43.7 | 177.2 | 174.4 | 0 | 0 | 0 | 0 | 112.6 | H195 L196 S201 D202 I203 | H195-S199 WeakPolarHBondContact O-CB 3.45Å; H195-S199 PolarHBondContact O-N 3.1Å; L196-S199 PolarHBondContact O-N 3.49Å; S199-S201 VanDerWaalsContact C-N 3.35Å; S199-D202 PolarHBondContact O-N 3.33Å; S199-I203 VanDerWaalsContact O-CG1 3.28Å; S199-I203 WeakPolarHBondContact O-CG1 3.4Å; S199-I203 PolarHBondContact O-N 2.91Å |
| 200 | V | 93 | Very high | 86.5 | Confident | 84 Ų | 84 | 94 Ų | 94 | 51% | 0.509 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.2 | -40.3 | 175.4 | 171.9 | 0 | 0 | 0 | 0 | 111 | L196 N198 I203 L204 | L196-V200 WeakPolarHBondContact O-CB 3.34Å; L196-V200 VanDerWaalsContact O-CG2 3.29Å; L196-V200 WeakPolarHBondContact O-CG2 3.41Å; L196-V200 PolarHBondContact O-N 2.75Å; N198-V200 PolarHBondContact O-N 3.19Å; V200-I203 PolarHBondContact O-N 3.29Å; V200-L204 WeakPolarHBondContact O-CB 3.23Å; V200-L204 PolarHBondContact O-N 3.46Å |
| 201 | S | 92.6 | Very high | 85.5 | Confident | 60 Ų | 60 | 98.3 Ų | 98.3 | 42% | 0.42 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.3 | -45.2 | 174.7 | -66.4 | 0 | 0 | 0 | 0 | 111.4 | V197 N198 S199 I203 L204 D205 | V197-S201 WeakPolarHBondContact O-CB 3.43Å; V197-S201 PolarHBondContact O-N 2.66Å; V197-S201 PolarHBondContact O-OG 2.9Å; N198-S201 WeakPolarHBondContact O-CB 3.4Å; N198-S201 PolarHBondContact O-N 2.99Å; N198-S201 VanDerWaalsContact O-N 3.12Å; S199-S201 VanDerWaalsContact C-N 3.35Å; S201-I203 PolarHBondContact O-N 2.94Å; S201-L204 WeakPolarHBondContact O-CB 3.28Å; S201-L204 PolarHBondContact O-N 3.01Å; S201-D205 WeakPolarHBondContact O-CB 3.29Å; S201-D205 PolarHBondContact O-N 3.22Å |
| 202 | D | 92.9 | Very high | 83.7 | Confident | 104 Ų | 104 | 99 Ų | 99 | 56% | 0.556 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.8 | -41.6 | 179 | -69 | -24.6 | 0 | 0 | 0 | 112.2 | N198 S199 D205 A206 | N198-D202 VanDerWaalsContact O-CG 3.31Å; N198-D202 PolarHBondContact O-N 3.48Å; S199-D202 PolarHBondContact O-N 3.33Å; D202-D205 WeakPolarHBondContact O-CB 3.25Å; D202-D205 PolarHBondContact O-N 2.84Å; D202-A206 WeakPolarHBondContact O-CB 3.45Å; D202-A206 PolarHBondContact O-N 3.38Å |
| 203 | I | 92.1 | Very high | 81.8 | Confident | 96 Ų | 96 | 101.7 Ų | 101.7 | 49% | 0.492 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.6 | -42.5 | 175.2 | -66.4 | 164.7 | 0 | 0 | 0 | 110.4 | S199 V200 S201 D205 A206 L207 | S199-I203 VanDerWaalsContact O-CG1 3.28Å; S199-I203 WeakPolarHBondContact O-CG1 3.4Å; S199-I203 PolarHBondContact O-N 2.91Å; V200-I203 PolarHBondContact O-N 3.29Å; S201-I203 PolarHBondContact O-N 2.94Å; I203-D205 VanDerWaalsContact C-N 3.29Å; I203-D205 PolarHBondContact O-N 2.9Å; I203-A206 PolarHBondContact O-N 2.77Å; I203-L207 HydrophobicContact CG2-CD1 4.04Å; I203-L207 HydrophobicContact CG2-CG 4.43Å; I203-L207 WeakPolarHBondContact O-CB 3.05Å; I203-L207 VanDerWaalsContact O-CG 3.31Å; I203-L207 WeakPolarHBondContact O-CG 3.43Å; I203-L207 PolarHBondContact O-N 3.38Å |
| 204 | L | 84.9 | Confident | 80.1 | Confident | 100 Ų | 100 | 99.5 Ų | 99.5 | 52% | 0.524 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.7 | -42.1 | 177.3 | -141.2 | 95.7 | 0 | 0 | 0 | 110.9 | V200 S201 L207 Q208 | V200-L204 WeakPolarHBondContact O-CB 3.23Å; V200-L204 PolarHBondContact O-N 3.46Å; S201-L204 WeakPolarHBondContact O-CB 3.28Å; S201-L204 PolarHBondContact O-N 3.01Å; L204-L207 PolarHBondContact O-N 3.34Å; L204-Q208 WeakPolarHBondContact O-CB 3.28Å; L204-Q208 WeakPolarHBondContact O-CG 3.4Å; L204-Q208 PolarHBondContact O-N 3.45Å |
| 205 | D | 83.8 | Confident | 78 | Confident | 66 Ų | 66 | 108.3 Ų | 108.3 | 35% | 0.353 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62.8 | -44.2 | 176.1 | -112.8 | 25.7 | 0 | 0 | 0 | 111.4 | S201 D202 I203 Q208 R209 | S201-D205 WeakPolarHBondContact O-CB 3.29Å; S201-D205 PolarHBondContact O-N 3.22Å; D202-D205 WeakPolarHBondContact O-CB 3.25Å; D202-D205 PolarHBondContact O-N 2.84Å; I203-D205 VanDerWaalsContact C-N 3.29Å; I203-D205 PolarHBondContact O-N 2.9Å; D205-Q208 PolarHBondContact O-N 2.81Å; D205-R209 WeakPolarHBondContact O-CG 3.38Å; D205-R209 PolarHBondContact O-N 2.84Å; D205-R209 IonicContact OD2-CZ 3.7Å; D205-R209 IonicContact OD2-NH1 3.84Å; D205-R209 IonicContact OD2-NH2 3.4Å; D205-R209 PolarHBondContact OD2-NH2 3.32Å |
| 206 | A | 84 | Confident | 76 | Confident | 52 Ų | 52 | 108 Ų | 108 | 43% | 0.43 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -62.7 | -44.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | D202 I203 Q208 R209 D210 | D202-A206 WeakPolarHBondContact O-CB 3.45Å; D202-A206 PolarHBondContact O-N 3.38Å; I203-A206 PolarHBondContact O-N 2.77Å; A206-Q208 VanDerWaalsContact C-N 3.34Å; A206-Q208 PolarHBondContact O-N 2.76Å; A206-R209 PolarHBondContact O-N 3.42Å; A206-D210 PolarHBondContact O-N 3.03Å |
| 207 | L | 79.1 | Confident | 73.6 | Confident | 95 Ų | 95 | 113.8 Ų | 113.8 | 50% | 0.497 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -66.4 | -34.6 | 175.7 | -70.7 | 172.5 | 0 | 0 | 0 | 112.5 | I203 L204 R211 | I203-L207 HydrophobicContact CG2-CD1 4.04Å; I203-L207 HydrophobicContact CG2-CG 4.43Å; I203-L207 WeakPolarHBondContact O-CB 3.05Å; I203-L207 VanDerWaalsContact O-CG 3.31Å; I203-L207 WeakPolarHBondContact O-CG 3.43Å; I203-L207 PolarHBondContact O-N 3.38Å; L204-L207 PolarHBondContact O-N 3.34Å; L207-R211 WeakPolarHBondContact O-CB 3.36Å; L207-R211 WeakPolarHBondContact O-CG 3.43Å; L207-R211 PolarHBondContact O-N 2.79Å |
| 208 | Q | 74.3 | Confident | 71.7 | Confident | 111 Ų | 111 | 117.2 Ų | 117.2 | 52% | 0.519 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -68.2 | -35.8 | 172.8 | -82.5 | -176.5 | -53.5 | 0 | 0 | 112.2 | L204 D205 A206 G212 | L204-Q208 WeakPolarHBondContact O-CB 3.28Å; L204-Q208 WeakPolarHBondContact O-CG 3.4Å; L204-Q208 PolarHBondContact O-N 3.45Å; D205-Q208 PolarHBondContact O-N 2.81Å; A206-Q208 VanDerWaalsContact C-N 3.34Å; A206-Q208 PolarHBondContact O-N 2.76Å; Q208-G212 PolarHBondContact O-N 3.22Å |
| 209 | R | 73.3 | Confident | 69.2 | Low | 166 Ų | 166 | 121 Ų | 121 | 63% | 0.626 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -68.7 | -40.7 | 173.8 | -73.1 | -177.1 | -164.2 | 100 | 13.1 | 111.9 | D205 A206 G212 | D205-R209 WeakPolarHBondContact O-CG 3.38Å; D205-R209 PolarHBondContact O-N 2.84Å; D205-R209 IonicContact OD2-CZ 3.7Å; D205-R209 IonicContact OD2-NH1 3.84Å; D205-R209 IonicContact OD2-NH2 3.4Å; D205-R209 PolarHBondContact OD2-NH2 3.32Å; A206-R209 PolarHBondContact O-N 3.42Å; R209-G212 WeakPolarHBondContact O-CA 3.4Å; R209-G212 PolarHBondContact O-N 3.23Å |
| 210 | D | 66.7 | Low | 66.6 | Low | 128 Ų | 128 | 123.5 Ų | 123.5 | 68% | 0.684 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -69.7 | -35.8 | 179.3 | -162.1 | 41.3 | 0 | 0 | 0 | 112.3 | A206 G212 | A206-D210 PolarHBondContact O-N 3.03Å; D210-G212 PolarHBondContact O-N 3.42Å |
| 211 | R | 61.4 | Low | 63.9 | Low | 213 Ų | 213 | 127 Ų | 127 | 80% | 0.804 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -71.3 | -5.2 | 168.6 | -72.8 | 178.8 | 175.7 | 174.4 | 0.4 | 114 | L207 | L207-R211 WeakPolarHBondContact O-CB 3.36Å; L207-R211 WeakPolarHBondContact O-CG 3.43Å; L207-R211 PolarHBondContact O-N 2.79Å |
| 212 | G | 51.6 | Low | 61.7 | Low | 57 Ų | 57 | 132.7 Ų | 132.7 | 59% | 0.588 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -81.6 | -8.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 116 | Q208 R209 D210 | Q208-G212 PolarHBondContact O-N 3.22Å; R209-G212 WeakPolarHBondContact O-CA 3.4Å; R209-G212 PolarHBondContact O-N 3.23Å; D210-G212 PolarHBondContact O-N 3.42Å |
| 213 | L | 51.2 | Low | 59.6 | Low | 170 Ų | 170 | 135.4 Ų | 135.4 | 89% | 0.89 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -90.3 | 8.1 | 178.1 | -85.1 | 162.2 | 0 | 0 | 0 | 114.5 | ||
| 214 | G | 52.2 | Low | 57.1 | Low | 59 Ų | 59 | 141.5 Ų | 141.5 | 61% | 0.608 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -132.5 | 93.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 215 | R | 42.9 | Very low | 55.2 | Low | 237 Ų | 237 | 141.4 Ų | 141.4 | 89% | 0.894 | 73% | 0.725 | S | S | * | * | S | Bend | trans | 100.3 | 130 | 164.5 | -151.9 | 171.4 | -167.3 | -169.3 | 3.4 | 116.1 | R217 | R215-R217 PolarHBondContact O-N 3.44Š|
| 216 | P | 49 | Very low | 53.1 | Low | 122 Ų | 122 | 143.9 Ų | 143.9 | 79% | 0.792 | 75% | 0.745 | S | S | * | * | trans | -78 | 125.8 | -170.4 | 32.3 | -33 | 0 | 0 | 0 | 109.5 | ||||
| 217 | R | 44.7 | Very low | 51.2 | Low | 230 Ų | 230 | 145.7 Ų | 145.7 | 87% | 0.868 | 76% | 0.759 | S | S | * | * | trans | -136.6 | 104.3 | 166.3 | -159.1 | 167.6 | 173.2 | 134.5 | -3.2 | 106.9 | R215 K219 | R215-R217 PolarHBondContact O-N 3.44Å; R217-K219 PolarHBondContact O-N 2.77Å | ||
| 218 | N | 51.9 | Low | 49.6 | Very low | 164 Ų | 164 | 152.9 Ų | 152.9 | 88% | 0.877 | 78% | 0.78 | S | S | * | * | trans | -34.4 | 105.7 | 175.5 | -53.8 | -21.1 | 0 | 0 | 0 | 110.5 | ||||
| 219 | K | 36.6 | Very low | 48.2 | Very low | 181 Ų | 181 | 151.2 Ų | 151.2 | 79% | 0.787 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -103.3 | 116.7 | 160.9 | -81.1 | -170 | 175.3 | -175.2 | 0 | 106.1 | R217 D221 | R217-K219 PolarHBondContact O-N 2.77Å; K219-D221 PolarHBondContact O-N 3.37Å |
| 220 | A | 40.7 | Very low | 46.7 | Very low | 98 Ų | 98 | 150 Ų | 150 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -61 | 128.1 | 166.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||
| 221 | D | 36.2 | Very low | 45.9 | Very low | 157 Ų | 157 | 155.5 Ų | 155.5 | 84% | 0.84 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 129.5 | 167.9 | -71.5 | -56.6 | 0 | 0 | 0 | 109.9 | K219 | K219-D221 PolarHBondContact O-N 3.37Š|
| 222 | L | 46.9 | Very low | 45.1 | Very low | 180 Ų | 180 | 149.6 Ų | 149.6 | 94% | 0.942 | 80% | 0.804 | S | S | * | * | trans | -112.7 | 72.4 | 159.4 | -113.5 | 155.8 | 0 | 0 | 0 | 107.1 | ||||
| 223 | Q | 47.7 | Very low | 45.2 | Very low | 162 Ų | 162 | 158.4 Ų | 158.4 | 76% | 0.757 | 82% | 0.82 | S | S | * | * | trans | -136.2 | 131.7 | 156.3 | -86.4 | -170.5 | 33.5 | 0 | 0 | 110.9 | ||||
| 224 | R | 39.9 | Very low | 45.3 | Very low | 224 Ų | 224 | 152 Ų | 152 | 85% | 0.845 | 79% | 0.794 | S | S | * | * | trans | 75.4 | 111 | 156.7 | -158.6 | 141.7 | -75.4 | 164.4 | -2.9 | 115.3 | ||||
| 225 | A | 44.4 | Very low | 45.2 | Very low | 98 Ų | 98 | 151.1 Ų | 151.1 | 81% | 0.81 | 78% | 0.779 | S | S | * | * | trans | -50.4 | 141.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 226 | P | 40.6 | Very low | 45.8 | Very low | 118 Ų | 118 | 143.9 Ų | 143.9 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | trans | -110 | 147.7 | 141 | 28.3 | -14.5 | 0 | 0 | 0 | 110.4 | ||||
| 227 | A | 44.2 | Very low | 46 | Very low | 90 Ų | 90 | 145.5 Ų | 145.5 | 74% | 0.744 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -53.8 | 146.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 228 | R | 45.7 | Very low | 46.6 | Very low | 246 Ų | 246 | 138.5 Ų | 138.5 | 93% | 0.928 | 78% | 0.776 | S | S | * | * | S | Bend | trans | 62.9 | 101.6 | 163.7 | -62.4 | -178.1 | -168.9 | -176 | 3.4 | 116.8 | ||
| 229 | G | 44.3 | Very low | 47.7 | Very low | 75 Ų | 75 | 133.7 Ų | 133.7 | 77% | 0.773 | 76% | 0.756 | S | S | * | * | 102.8 | 64.2 | 123.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 230 | T | 40.9 | Very low | 50.1 | Low | 140 Ų | 140 | 131.3 Ų | 131.3 | 86% | 0.859 | 74% | 0.742 | S | S | * | * | trans | -145.7 | 115.9 | 144.7 | 11.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 231 | R | 50.1 | Low | 52.5 | Low | 244 Ų | 244 | 128.3 Ų | 128.3 | 92% | 0.921 | 71% | 0.714 | S | S | * | * | trans | -54.5 | 127 | -178 | -69.3 | 177.8 | -179.2 | 170.7 | -0.9 | 109.9 | ||||
| 232 | P | 45.6 | Very low | 55.2 | Low | 90 Ų | 90 | 127 Ų | 127 | 58% | 0.584 | 70% | 0.697 | S | S | * | * | trans | -61.7 | 145.3 | 167.6 | -12.1 | 26.6 | 0 | 0 | 0 | 108.3 | G234 L249 | P232-G234 PolarHBondContact O-N 2.82Å; P232-L249 HydrophobicContact CB-CD2 4.02Å; P232-L249 HydrophobicContact CG-CD2 3.94Å | ||
| 233 | R | 52.3 | Low | 57.4 | Low | 242 Ų | 242 | 121.3 Ų | 121.3 | 91% | 0.913 | 67% | 0.668 | S | S | * | * | trans | -54.4 | 105.8 | 178.5 | -71.5 | -177.5 | -169.9 | -138.9 | 1.4 | 108.9 | ||||
| 234 | G | 54.2 | Low | 59.6 | Low | 35 Ų | 35 | 113.6 Ų | 113.6 | 36% | 0.361 | 63% | 0.632 | S | S | . | * | trans | -55.6 | 158.4 | 161.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | P232 A236 | P232-G234 PolarHBondContact O-N 2.82Å; G234-A236 PolarHBondContact O-N 2.8Å | ||
| 235 | C | 50.6 | Low | 62.2 | Low | 41 Ų | 41 | 107 Ų | 107 | 28% | 0.277 | 61% | 0.613 | S | S | . | * | trans | -37.3 | 132 | 170.6 | -64.2 | 0 | 0 | 0 | 0 | 110.7 | T237 S239 | C235-T237 PolarHBondContact O-N 3.46Å; C235-S239 WeakPolarHBondContact CB-OG 3.31Å | ||
| 236 | A | 55.5 | Low | 64.4 | Low | 84 Ų | 84 | 103.9 Ų | 103.9 | 69% | 0.694 | 58% | 0.583 | S | S | * | * | trans | -50.8 | 120 | 168.4 | 0 | 0 | 0 | 0 | 0 | 106.9 | G234 G238 S239 | G234-A236 PolarHBondContact O-N 2.8Å; A236-G238 PolarHBondContact O-N 3.3Å; A236-S239 PolarHBondContact O-N 2.87Å; A236-S239 VanDerWaalsContact O-N 3.12Å | ||
| 237 | T | 51.9 | Low | 66.9 | Low | 156 Ų | 156 | 98.5 Ų | 98.5 | 96% | 0.957 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -37.4 | 100.3 | -174.5 | 22 | 0 | 0 | 0 | 0 | 110.9 | C235 | C235-T237 PolarHBondContact O-N 3.46Š|
| 238 | G | 59.3 | Low | 69.1 | Low | 83 Ų | 83 | 96 Ų | 96 | 86% | 0.856 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 127.5 | -12.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | A236 | A236-G238 PolarHBondContact O-N 3.3Š|
| 239 | S | 73.6 | Confident | 71.1 | Confident | 64 Ų | 64 | 87.3 Ų | 87.3 | 45% | 0.448 | 49% | 0.493 | S | S | . | . | P | Polyproline II helix | trans | -82.4 | 132.1 | 174.7 | 64.7 | 0 | 0 | 0 | 0 | 111.9 | C235 A236 | C235-S239 WeakPolarHBondContact CB-OG 3.31Å; A236-S239 PolarHBondContact O-N 2.87Å; A236-S239 VanDerWaalsContact O-N 3.12Å |
| 240 | R | 86.6 | Confident | 73.1 | Confident | 131 Ų | 131 | 87.3 Ų | 87.3 | 49% | 0.494 | 48% | 0.481 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 140.7 | 173.8 | -67.5 | 180 | -72 | 164.1 | 2.2 | 110.5 | F261 P266 | R240-F261 HydrophobicContact CB-CB 4.01Å; R240-F261 HydrophobicContact CB-CD2 3.47Å; R240-F261 VanDerWaalsContact CB-CD2 3.47Å; R240-F261 HydrophobicContact CB-CE2 4.01Å; R240-F261 HydrophobicContact CB-CG 3.75Å; R240-F261 HydrophobicContact CG-CD2 4.14Å; R240-F261 HydrophobicContact CG-CE2 4.24Å; R240-F261 HydrophobicContact CG-CG 4.39Å; R240-P266 VanDerWaalsContact CZ-O 3.3Å; R240-P266 PolarHBondContact NH1-O 3.49Å; R240-P266 PolarHBondContact NH2-O 2.97Å |
| 241 | P | 91.5 | Very high | 75.3 | Confident | 34 Ų | 34 | 83 Ų | 83 | 22% | 0.221 | 47% | 0.465 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 136.6 | -176.2 | 27.6 | -34.6 | 0 | 0 | 0 | 110.6 | D246 V247 V260 F261 | P241-D246 HydrophobicContact CB-CB 3.74Å; P241-V247 HydrophobicContact CB-CG2 3.65Å; P241-V247 HydrophobicContact CG-CG2 3.86Å; P241-V260 CarbonylContact O-C 3.59Å; P241-V260 WeakPolarHBondContact O-CA 3.43Å; P241-F261 PolarHBondContact O-N 2.83Å |
| 242 | R | 92.7 | Very high | 77.1 | Confident | 129 Ų | 129 | 75.7 Ų | 75.7 | 49% | 0.487 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -86.8 | -28 | -176.2 | -61.4 | 175 | -178.5 | -120.1 | 1 | 112.9 | D246 T263 | R242-D246 VanDerWaalsContact CB-OD2 3.29Å; R242-D246 WeakPolarHBondContact CB-OD2 3.21Å; R242-D246 WeakPolarHBondContact CG-OD2 3.31Å; R242-D246 PolarHBondContact N-OD2 3.45Å; R242-T263 PolarHBondContact NH1-OG1 3.3Å |
| 243 | D | 93 | Very high | 79.2 | Confident | 62 Ų | 62 | 78.1 Ų | 78.1 | 33% | 0.332 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -154.4 | 178.5 | -177 | 55.5 | 42.3 | 0 | 0 | 0 | 110.6 | L245 D246 V247 | D243-L245 PolarHBondContact O-N 2.88Å; D243-L245 WeakPolarHBondContact OD1-CA 3.47Å; D243-L245 VanDerWaalsContact OD1-CB 3.32Å; D243-L245 WeakPolarHBondContact OD1-CB 3.14Å; D243-L245 PolarHBondContact OD1-N 3.37Å; D243-D246 PolarHBondContact O-N 2.92Å; D243-D246 PolarHBondContact OD1-N 3.24Å; D243-V247 WeakPolarHBondContact O-CG2 3.24Å; D243-V247 PolarHBondContact O-N 3.45Å |
| 244 | C | 94.4 | Very high | 81.2 | Confident | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -66.1 | -21.7 | 178.7 | -65.9 | 0 | 0 | 0 | 0 | 113.8 | V247 L248 C273 M275 G281 T283 | C244-V247 PolarHBondContact O-N 3.39Å; C244-L248 PolarHBondContact O-N 3.5Å; C244-C273 VanDerWaalsContact CA-SG 3.57Å; C244-C273 HydrophobicContact CB-CB 3.57Å; C244-C273 WeakPolarHBondContact CB-SG 3.46Å; C244-C273 WeakPolarHBondContact SG-CA 3.47Å; C244-C273 WeakPolarHBondContact SG-CB 3.25Å; C244-C273 CovalentContact SG-SG 2.02Å; C244-C273 PolarHBondContact SG-SG 2.98Å; C244-M275 HydrophobicContact CB-CE 4.47Å; C244-G281 CarbonylContact C-O 3.56Å; C244-G281 WeakPolarHBondContact CB-O 3.22Å; C244-T283 VanDerWaalsContact CB-OG1 3.31Å; C244-T283 WeakPolarHBondContact CB-OG1 3.46Å; C244-T283 PolarHBondContact N-OG1 3.14Å; C244-T283 VanDerWaalsContact SG-CA 3.57Å; C244-T283 PolarHBondContact SG-OG1 2.93Å |
| 245 | L | 94.1 | Very high | 83.2 | Confident | 85 Ų | 85 | 73 Ų | 73 | 45% | 0.445 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -72.2 | -42 | 175.6 | -179.4 | 63.1 | 0 | 0 | 0 | 110.3 | D243 V247 L248 L249 G281 | D243-L245 PolarHBondContact O-N 2.88Å; D243-L245 WeakPolarHBondContact OD1-CA 3.47Å; D243-L245 VanDerWaalsContact OD1-CB 3.32Å; D243-L245 WeakPolarHBondContact OD1-CB 3.14Å; D243-L245 PolarHBondContact OD1-N 3.37Å; L245-V247 VanDerWaalsContact C-N 3.26Å; L245-V247 PolarHBondContact O-N 2.94Å; L245-L248 HydrophobicContact CD1-CD2 4.25Å; L245-L248 WeakPolarHBondContact O-CB 3.3Å; L245-L248 PolarHBondContact O-N 2.92Å; L245-L249 HydrophobicContact CD1-CG 4.48Å; L245-L249 HydrophobicContact CG-CD1 4.27Å; L245-L249 WeakPolarHBondContact O-CB 3.41Å; L245-L249 VanDerWaalsContact O-CG 3.26Å; L245-L249 WeakPolarHBondContact O-CG 3.42Å; L245-L249 PolarHBondContact O-N 3.45Å; L245-G281 PolarHBondContact N-O 3.2Å |
| 246 | D | 92.4 | Very high | 85.3 | Confident | 33 Ų | 33 | 71.9 Ų | 71.9 | 18% | 0.176 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -59.8 | -39.4 | 171.4 | -81 | -15 | 0 | 0 | 0 | 111.6 | P241 R242 D243 L249 S250 | P241-D246 HydrophobicContact CB-CB 3.74Å; R242-D246 VanDerWaalsContact CB-OD2 3.29Å; R242-D246 WeakPolarHBondContact CB-OD2 3.21Å; R242-D246 WeakPolarHBondContact CG-OD2 3.31Å; R242-D246 PolarHBondContact N-OD2 3.45Å; D243-D246 PolarHBondContact O-N 2.92Å; D243-D246 PolarHBondContact OD1-N 3.24Å; D246-L249 PolarHBondContact O-N 2.92Å; D246-S250 WeakPolarHBondContact O-CB 3.27Å; D246-S250 PolarHBondContact O-N 3.48Å |
| 247 | V | 91.2 | Very high | 87.2 | Confident | 4 Ų | 4 | 72.1 Ų | 72.1 | 2% | 0.024 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -62.6 | -45.8 | 174.8 | 178.7 | 0 | 0 | 0 | 0 | 110.5 | P241 D243 C244 L245 L249 S250 Q252 Y258 V260 M275 | P241-V247 HydrophobicContact CB-CG2 3.65Å; P241-V247 HydrophobicContact CG-CG2 3.86Å; D243-V247 WeakPolarHBondContact O-CG2 3.24Å; D243-V247 PolarHBondContact O-N 3.45Å; C244-V247 PolarHBondContact O-N 3.39Å; L245-V247 VanDerWaalsContact C-N 3.26Å; L245-V247 PolarHBondContact O-N 2.94Å; V247-L249 PolarHBondContact O-N 2.93Å; V247-S250 WeakPolarHBondContact O-CB 3.49Å; V247-S250 PolarHBondContact O-N 3.42Å; V247-S250 VanDerWaalsContact O-N 3.17Å; V247-S250 PolarHBondContact O-OG 2.96Å; V247-Q252 HydrophobicContact CG1-CB 3.7Å; V247-Q252 HydrophobicContact CG1-CG 3.91Å; V247-Q252 PolarHBondContact O-N 2.92Å; V247-Y258 HydrophobicContact CG1-CD1 3.49Å; V247-Y258 VanDerWaalsContact CG1-CD1 3.49Å; V247-Y258 HydrophobicContact CG1-CD2 4.33Å; V247-Y258 HydrophobicContact CG1-CE1 3.75Å; V247-Y258 HydrophobicContact CG1-CG 3.79Å; V247-V260 HydrophobicContact CG2-CG1 4.38Å; V247-M275 HydrophobicContact CB-CE 3.72Å; V247-M275 HydrophobicContact CG1-CE 3.39Å |
| 248 | L | 90.6 | Very high | 89.2 | Confident | 38 Ų | 38 | 66.7 Ų | 66.7 | 20% | 0.199 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -59.2 | -45.9 | 175 | -175.7 | 74.3 | 0 | 0 | 0 | 111.9 | C244 L245 S250 G251 Q252 M275 | C244-L248 PolarHBondContact O-N 3.5Å; L245-L248 HydrophobicContact CD1-CD2 4.25Å; L245-L248 WeakPolarHBondContact O-CB 3.3Å; L245-L248 PolarHBondContact O-N 2.92Å; L248-S250 PolarHBondContact O-N 3.31Å; L248-G251 PolarHBondContact O-N 3.49Å; L248-Q252 WeakPolarHBondContact CA-O 3.42Å; L248-Q252 WeakPolarHBondContact CD1-O 3.27Å; L248-M275 HydrophobicContact CB-CE 4.49Å; L248-M275 HydrophobicContact CB-SD 3.93Å; L248-M275 HydrophobicContact CD1-CB 4.19Å; L248-M275 HydrophobicContact CD1-CG 4.49Å; L248-M275 HydrophobicContact CD1-SD 3.95Å |
| 249 | L | 88.8 | Confident | 90.9 | Very high | 64 Ų | 64 | 65.5 Ų | 65.5 | 34% | 0.335 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -68.1 | -22.6 | 179.1 | -68 | 176.6 | 0 | 0 | 0 | 113 | P232 L245 D246 V247 G251 | P232-L249 HydrophobicContact CB-CD2 4.02Å; P232-L249 HydrophobicContact CG-CD2 3.94Å; L245-L249 HydrophobicContact CD1-CG 4.48Å; L245-L249 HydrophobicContact CG-CD1 4.27Å; L245-L249 WeakPolarHBondContact O-CB 3.41Å; L245-L249 VanDerWaalsContact O-CG 3.26Å; L245-L249 WeakPolarHBondContact O-CG 3.42Å; L245-L249 PolarHBondContact O-N 3.45Å; D246-L249 PolarHBondContact O-N 2.92Å; V247-L249 PolarHBondContact O-N 2.93Å; L249-G251 PolarHBondContact O-N 3.49Å |
| 250 | S | 86.1 | Confident | 91.9 | Very high | 75 Ų | 75 | 62.6 Ų | 62.6 | 52% | 0.524 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -7.1 | 170.8 | 81.6 | 0 | 0 | 0 | 0 | 113.3 | D246 V247 L248 | D246-S250 WeakPolarHBondContact O-CB 3.27Å; D246-S250 PolarHBondContact O-N 3.48Å; V247-S250 WeakPolarHBondContact O-CB 3.49Å; V247-S250 PolarHBondContact O-N 3.42Å; V247-S250 VanDerWaalsContact O-N 3.17Å; V247-S250 PolarHBondContact O-OG 2.96Å; L248-S250 PolarHBondContact O-N 3.31Å |
| 251 | G | 86.9 | Confident | 92.2 | Very high | 50 Ų | 50 | 58.6 Ų | 58.6 | 52% | 0.515 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 101.7 | 4.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | L248 L249 | L248-G251 PolarHBondContact O-N 3.49Å; L249-G251 PolarHBondContact O-N 3.49Å |
| 252 | Q | 87.6 | Confident | 92.1 | Very high | 89 Ų | 89 | 58.9 Ų | 58.9 | 42% | 0.416 | 32% | 0.323 | S | S | . | . | trans | -77.7 | 127.8 | 172.8 | -64.2 | -60.3 | -27.7 | 0 | 0 | 109.9 | V247 L248 Y258 | V247-Q252 HydrophobicContact CG1-CB 3.7Å; V247-Q252 HydrophobicContact CG1-CG 3.91Å; V247-Q252 PolarHBondContact O-N 2.92Å; L248-Q252 WeakPolarHBondContact CA-O 3.42Å; L248-Q252 WeakPolarHBondContact CD1-O 3.27Å; Q252-Y258 HydrophobicContact CB-CE1 4.04Å; Q252-Y258 HydrophobicContact CG-CE1 4.01Å | ||
| 253 | Q | 91 | Very high | 91.8 | Very high | 142 Ų | 142 | 57.4 Ų | 57.4 | 66% | 0.664 | 33% | 0.329 | S | S | * | . | trans | -124 | -2.2 | -174.4 | -63.2 | -170.1 | 11.9 | 0 | 0 | 113.9 | M275 | Q253-M275 VanDerWaalsContact O-CB 3.24Å; Q253-M275 WeakPolarHBondContact O-CB 3.45Å | ||
| 254 | D | 93.8 | Very high | 91.4 | Very high | 115 Ų | 115 | 63 Ų | 63 | 62% | 0.615 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -93.1 | 139 | -177.8 | -63.4 | -46.1 | 0 | 0 | 0 | 110.9 | Y258 M275 | D254-Y258 WeakPolarHBondContact O-CE2 3.27Å; D254-Y258 PolarHBondContact O-OH 2.93Å; D254-M275 VanDerWaalsContact O-CG 3.26Å; D254-M275 WeakPolarHBondContact O-CG 3.23Å |
| 255 | D | 95.3 | Very high | 91 | Very high | 55 Ų | 55 | 69 Ų | 69 | 29% | 0.294 | 38% | 0.376 | S | S | . | . | trans | -64.7 | 138.4 | 171.3 | -53.2 | -37.8 | 0 | 0 | 0 | 109.7 | C273 M275 R276 | D255-C273 WeakPolarHBondContact CA-O 3.33Å; D255-M275 PolarHBondContact OD1-N 3Å; D255-R276 WeakPolarHBondContact OD1-CG 3.31Å; D255-R276 PolarHBondContact OD1-N 3.27Å; D255-R276 WeakPolarHBondContact OD2-CD 3.43Å | ||
| 256 | G | 94 | Very high | 90.5 | Very high | 16 Ų | 16 | 69.3 Ų | 69.3 | 17% | 0.165 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 169.1 | -177.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y258 Y272 C273 | G256-Y258 VanDerWaalsContact O-CD2 3.27Å; G256-Y258 WeakPolarHBondContact O-CD2 3.34Å; G256-Y272 CarbonylContact O-C 3.53Å; G256-Y272 WeakPolarHBondContact O-CA 3.43Å; G256-C273 PolarHBondContact N-O 2.89Å; G256-C273 PolarHBondContact O-N 3.39Å |
| 257 | V | 96 | Very high | 90.3 | Very high | 89 Ų | 89 | 71.1 Ų | 71.1 | 54% | 0.539 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 123.7 | 177.2 | 179.8 | 0 | 0 | 0 | 0 | 109.6 | Q270 V271 Y272 | V257-Q270 HydrophobicContact CG1-CB 3.7Å; V257-Q270 HydrophobicContact CG1-CG 4.22Å; V257-V271 CarbonylContact C-O 3.48Å; V257-V271 VanDerWaalsContact CA-O 3.27Å; V257-V271 WeakPolarHBondContact CA-O 3.4Å; V257-Y272 HydrophobicContact CG2-CD2 4.07Å |
| 258 | Y | 94.9 | Very high | 90.3 | Very high | 43 Ų | 43 | 71.7 Ų | 71.7 | 17% | 0.169 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 153.1 | 179.6 | -64.1 | -92.5 | 0 | 0 | 0 | 111.2 | V247 Q252 D254 G256 Q270 V271 C273 M275 | V247-Y258 HydrophobicContact CG1-CD1 3.49Å; V247-Y258 VanDerWaalsContact CG1-CD1 3.49Å; V247-Y258 HydrophobicContact CG1-CD2 4.33Å; V247-Y258 HydrophobicContact CG1-CE1 3.75Å; V247-Y258 HydrophobicContact CG1-CG 3.79Å; Q252-Y258 HydrophobicContact CB-CE1 4.04Å; Q252-Y258 HydrophobicContact CG-CE1 4.01Å; D254-Y258 WeakPolarHBondContact O-CE2 3.27Å; D254-Y258 PolarHBondContact O-OH 2.93Å; G256-Y258 VanDerWaalsContact O-CD2 3.27Å; G256-Y258 WeakPolarHBondContact O-CD2 3.34Å; Y258-Q270 CarbonylContact O-C 3.57Å; Y258-Q270 WeakPolarHBondContact O-CA 3.3Å; Y258-V271 PolarHBondContact N-O 3.46Å; Y258-V271 PolarHBondContact O-N 3.42Å; Y258-C273 HydrophobicContact CD2-CB 3.54Å; Y258-C273 VanDerWaalsContact CD2-SG 3.51Å; Y258-C273 HydrophobicContact CE2-CB 3.93Å; Y258-M275 HydrophobicContact CD2-CE 4.24Å; Y258-M275 HydrophobicContact CE2-CE 3.96Å |
| 259 | S | 94.3 | Very high | 90.5 | Very high | 58 Ų | 58 | 74.5 Ų | 74.5 | 41% | 0.406 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 126 | 172.8 | -63 | 0 | 0 | 0 | 0 | 111 | F269 | S259-F269 WeakPolarHBondContact CA-O 3.46Å |
| 260 | V | 93.9 | Very high | 90.8 | Very high | 3 Ų | 3 | 78.2 Ų | 78.2 | 2% | 0.018 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 150.1 | 178.6 | -63.1 | 0 | 0 | 0 | 0 | 110.6 | P241 V247 G268 F269 V271 | P241-V260 CarbonylContact O-C 3.59Å; P241-V260 WeakPolarHBondContact O-CA 3.43Å; V247-V260 HydrophobicContact CG2-CG1 4.38Å; V260-G268 CarbonylContact O-C 3.53Å; V260-G268 WeakPolarHBondContact O-CA 3.32Å; V260-F269 HydrophobicContact CG2-CD2 4.42Å; V260-F269 HydrophobicContact CG2-CE2 4.2Å; V260-F269 HydrophobicContact CG2-CZ 4.33Å; V260-F269 PolarHBondContact N-O 3.04Å; V260-F269 PolarHBondContact O-N 3.21Å; V260-V271 HydrophobicContact CB-CG2 4.27Å; V260-V271 HydrophobicContact CG1-CG2 3.59Å; V260-V271 HydrophobicContact CG2-CB 4.38Å; V260-V271 HydrophobicContact CG2-CG1 3.77Å; V260-V271 HydrophobicContact CG2-CG2 3.66Å |
| 261 | F | 93.4 | Very high | 91.2 | Very high | 46 Ų | 46 | 75.4 Ų | 75.4 | 20% | 0.202 | 42% | 0.415 | C | S | . | . | trans | -131.3 | 78 | -171.2 | -58.8 | -93.4 | 0 | 0 | 0 | 111 | R240 P241 A267 | R240-F261 HydrophobicContact CB-CB 4.01Å; R240-F261 HydrophobicContact CB-CD2 3.47Å; R240-F261 VanDerWaalsContact CB-CD2 3.47Å; R240-F261 HydrophobicContact CB-CE2 4.01Å; R240-F261 HydrophobicContact CB-CG 3.75Å; R240-F261 HydrophobicContact CG-CD2 4.14Å; R240-F261 HydrophobicContact CG-CE2 4.24Å; R240-F261 HydrophobicContact CG-CG 4.39Å; P241-F261 PolarHBondContact O-N 2.83Å; F261-A267 WeakPolarHBondContact CE1-O 3.34Å | ||
| 262 | P | 90.6 | Very high | 91.7 | Very high | 40 Ų | 40 | 77.7 Ų | 77.7 | 26% | 0.26 | 41% | 0.409 | S | S | . | . | trans | -61.8 | 156.4 | 179.1 | -24.1 | 35.7 | 0 | 0 | 0 | 113 | H264 Y265 F269 | P262-H264 PolarHBondContact O-N 3.32Å; P262-H264 VanDerWaalsContact O-N 3.1Å; P262-Y265 CarbonylContact O-C 3.37Å; P262-Y265 PolarHBondContact O-N 2.95Å; P262-F269 HydrophobicContact CG-CE1 3.75Å; P262-F269 HydrophobicContact CG-CZ 4.13Å | ||
| 263 | T | 85.2 | Confident | 92.1 | Very high | 98 Ų | 98 | 73.4 Ų | 73.4 | 60% | 0.601 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | -38.9 | -174.8 | -47.5 | 0 | 0 | 0 | 0 | 114 | R242 | R242-T263 PolarHBondContact NH1-OG1 3.3Š|
| 264 | H | 84.8 | Confident | 92.3 | Very high | 179 Ų | 179 | 68.2 Ų | 68.2 | 83% | 0.829 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | 2.2 | -177.2 | -55.5 | -63.4 | 0 | 0 | 0 | 113.2 | P262 | P262-H264 PolarHBondContact O-N 3.32Å; P262-H264 VanDerWaalsContact O-N 3.1Å |
| 265 | Y | 85.8 | Confident | 92.3 | Very high | 128 Ų | 128 | 63.3 Ų | 63.3 | 50% | 0.502 | 34% | 0.339 | S | S | . | . | trans | -136 | 74.6 | -178.1 | -156.5 | -94.3 | 0 | 0 | 0 | 111 | P262 A267 G268 F269 | P262-Y265 CarbonylContact O-C 3.37Å; P262-Y265 PolarHBondContact O-N 2.95Å; Y265-A267 HydrophobicContact CD1-CB 4.29Å; Y265-A267 HydrophobicContact CE1-CB 3.88Å; Y265-A267 PolarHBondContact O-N 3.41Å; Y265-G268 WeakPolarHBondContact CE1-O 3.38Å; Y265-G268 PolarHBondContact O-N 2.94Å; Y265-F269 AromaticContact CD1-CD1 3.77Å; Y265-F269 HydrophobicContact CD1-CD1 3.77Å; Y265-F269 HydrophobicContact CD1-CE1 4.35Å; Y265-F269 HydrophobicContact CE1-CD1 4.1Å; Y265-F269 HydrophobicContact CG-CD1 4.49Å | ||
| 266 | P | 83.3 | Confident | 92.1 | Very high | 90 Ų | 90 | 69.8 Ų | 69.8 | 58% | 0.584 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -14.6 | -172.2 | 29.2 | -36.3 | 0 | 0 | 0 | 113.8 | R240 G268 | R240-P266 VanDerWaalsContact CZ-O 3.3Å; R240-P266 PolarHBondContact NH1-O 3.49Å; R240-P266 PolarHBondContact NH2-O 2.97Å; P266-G268 VanDerWaalsContact C-N 3.27Å |
| 267 | A | 88.4 | Confident | 91.9 | Very high | 72 Ų | 72 | 72.3 Ų | 72.3 | 60% | 0.595 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -27 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112 | F261 Y265 | F261-A267 WeakPolarHBondContact CE1-O 3.34Å; Y265-A267 HydrophobicContact CD1-CB 4.29Å; Y265-A267 HydrophobicContact CE1-CB 3.88Å; Y265-A267 PolarHBondContact O-N 3.41Å |
| 268 | G | 91.4 | Very high | 91.5 | Very high | 15 Ų | 15 | 75 Ų | 75 | 16% | 0.155 | 38% | 0.383 | C | S | . | . | trans | 67.8 | 167.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | V260 Y265 P266 | V260-G268 CarbonylContact O-C 3.53Å; V260-G268 WeakPolarHBondContact O-CA 3.32Å; Y265-G268 WeakPolarHBondContact CE1-O 3.38Å; Y265-G268 PolarHBondContact O-N 2.94Å; P266-G268 VanDerWaalsContact C-N 3.27Å | ||
| 269 | F | 94.8 | Very high | 91 | Very high | 97 Ų | 97 | 76.1 Ų | 76.1 | 43% | 0.425 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 167.5 | 175.4 | 56.7 | -87.5 | 0 | 0 | 0 | 110.3 | S259 V260 P262 Y265 V271 | S259-F269 WeakPolarHBondContact CA-O 3.46Å; V260-F269 HydrophobicContact CG2-CD2 4.42Å; V260-F269 HydrophobicContact CG2-CE2 4.2Å; V260-F269 HydrophobicContact CG2-CZ 4.33Å; V260-F269 PolarHBondContact N-O 3.04Å; V260-F269 PolarHBondContact O-N 3.21Å; P262-F269 HydrophobicContact CG-CE1 3.75Å; P262-F269 HydrophobicContact CG-CZ 4.13Å; Y265-F269 AromaticContact CD1-CD1 3.77Å; Y265-F269 HydrophobicContact CD1-CD1 3.77Å; Y265-F269 HydrophobicContact CD1-CE1 4.35Å; Y265-F269 HydrophobicContact CE1-CD1 4.1Å; Y265-F269 HydrophobicContact CG-CD1 4.49Å; F269-V271 HydrophobicContact CD2-CG1 3.61Å; F269-V271 HydrophobicContact CE2-CG1 3.31Å; F269-V271 HydrophobicContact CZ-CG1 4.4Å |
| 270 | Q | 95.3 | Very high | 90.9 | Very high | 143 Ų | 143 | 73.9 Ų | 73.9 | 67% | 0.668 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 135.6 | -179.8 | -71 | -178.5 | 98.6 | 0 | 0 | 110.8 | V257 Y258 | V257-Q270 HydrophobicContact CG1-CB 3.7Å; V257-Q270 HydrophobicContact CG1-CG 4.22Å; Y258-Q270 CarbonylContact O-C 3.57Å; Y258-Q270 WeakPolarHBondContact O-CA 3.3Å |
| 271 | V | 95.5 | Very high | 90.9 | Very high | 16 Ų | 16 | 74.3 Ų | 74.3 | 10% | 0.097 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 151.5 | 176.8 | -65.2 | 0 | 0 | 0 | 0 | 109.7 | V257 Y258 V260 F269 T283 | V257-V271 CarbonylContact C-O 3.48Å; V257-V271 VanDerWaalsContact CA-O 3.27Å; V257-V271 WeakPolarHBondContact CA-O 3.4Å; Y258-V271 PolarHBondContact N-O 3.46Å; Y258-V271 PolarHBondContact O-N 3.42Å; V260-V271 HydrophobicContact CB-CG2 4.27Å; V260-V271 HydrophobicContact CG1-CG2 3.59Å; V260-V271 HydrophobicContact CG2-CB 4.38Å; V260-V271 HydrophobicContact CG2-CG1 3.77Å; V260-V271 HydrophobicContact CG2-CG2 3.66Å; F269-V271 HydrophobicContact CD2-CG1 3.61Å; F269-V271 HydrophobicContact CE2-CG1 3.31Å; F269-V271 HydrophobicContact CZ-CG1 4.4Å; V271-T283 HydrophobicContact CB-CG2 3.89Å; V271-T283 HydrophobicContact CG1-CG2 3.97Å; V271-T283 HydrophobicContact CG2-CG2 3.93Å |
| 272 | Y | 95.6 | Very high | 91 | Very high | 97 Ų | 97 | 78.8 Ų | 78.8 | 38% | 0.38 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 123.7 | 167.8 | -172.1 | -90.8 | 0 | 0 | 0 | 109.2 | G256 V257 V284 | G256-Y272 CarbonylContact O-C 3.53Å; G256-Y272 WeakPolarHBondContact O-CA 3.43Å; V257-Y272 HydrophobicContact CG2-CD2 4.07Å; Y272-V284 HydrophobicContact CD1-CB 4.26Å; Y272-V284 HydrophobicContact CD1-CG2 3.84Å; Y272-V284 WeakPolarHBondContact O-CB 3.42Å; Y272-V284 PolarHBondContact O-N 2.9Å |
| 273 | C | 96.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 79.6 Ų | 79.6 | 0% | 0 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 125.9 | 175.1 | -59.2 | 0 | 0 | 0 | 0 | 110.2 | C244 D255 G256 Y258 M275 W282 | C244-C273 VanDerWaalsContact CA-SG 3.57Å; C244-C273 HydrophobicContact CB-CB 3.57Å; C244-C273 WeakPolarHBondContact CB-SG 3.46Å; C244-C273 WeakPolarHBondContact SG-CA 3.47Å; C244-C273 WeakPolarHBondContact SG-CB 3.25Å; C244-C273 CovalentContact SG-SG 2.02Å; C244-C273 PolarHBondContact SG-SG 2.98Å; D255-C273 WeakPolarHBondContact CA-O 3.33Å; G256-C273 PolarHBondContact N-O 2.89Å; G256-C273 PolarHBondContact O-N 3.39Å; Y258-C273 HydrophobicContact CD2-CB 3.54Å; Y258-C273 VanDerWaalsContact CD2-SG 3.51Å; Y258-C273 HydrophobicContact CE2-CB 3.93Å; C273-M275 HydrophobicContact CB-CE 3.45Å; C273-M275 VanDerWaalsContact CB-CE 3.45Å; C273-M275 HydrophobicContact CB-CG 4.42Å; C273-M275 HydrophobicContact CB-SD 4.01Å; C273-W282 VanDerWaalsContact CA-O 3.29Å; C273-W282 WeakPolarHBondContact CA-O 3.27Å |
| 274 | D | 95.4 | Very high | 91.6 | Very high | 32 Ų | 32 | 77.4 Ų | 77.4 | 17% | 0.171 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 112.6 | 165.8 | 176.5 | -14.9 | 0 | 0 | 0 | 108.1 | R276 T277 G280 G281 W282 | D274-R276 PolarHBondContact OD1-N 3.04Å; D274-T277 VanDerWaalsContact CG-OG1 3.31Å; D274-T277 WeakPolarHBondContact OD1-CB 3.36Å; D274-T277 PolarHBondContact OD1-N 3.21Å; D274-T277 PolarHBondContact OD1-OG1 2.91Å; D274-T277 WeakPolarHBondContact OD2-CB 3.45Å; D274-T277 PolarHBondContact OD2-OG1 3Å; D274-G280 CarbonylContact O-C 3.59Å; D274-G281 PolarHBondContact O-N 2.81Å; D274-W282 HydrophobicContact CB-CB 4.11Å; D274-W282 PolarHBondContact N-O 3.33Å; D274-W282 PolarHBondContact O-N 3.44Å |
| 275 | M | 93.9 | Very high | 91.8 | Very high | 12 Ų | 12 | 78.3 Ų | 78.3 | 6% | 0.059 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -100.6 | -1.4 | -176.5 | -59.9 | -51.7 | -165.2 | 0 | 0 | 112.5 | C244 V247 L248 Q253 D254 D255 Y258 C273 G280 | C244-M275 HydrophobicContact CB-CE 4.47Å; V247-M275 HydrophobicContact CB-CE 3.72Å; V247-M275 HydrophobicContact CG1-CE 3.39Å; L248-M275 HydrophobicContact CB-CE 4.49Å; L248-M275 HydrophobicContact CB-SD 3.93Å; L248-M275 HydrophobicContact CD1-CB 4.19Å; L248-M275 HydrophobicContact CD1-CG 4.49Å; L248-M275 HydrophobicContact CD1-SD 3.95Å; Q253-M275 VanDerWaalsContact O-CB 3.24Å; Q253-M275 WeakPolarHBondContact O-CB 3.45Å; D254-M275 VanDerWaalsContact O-CG 3.26Å; D254-M275 WeakPolarHBondContact O-CG 3.23Å; D255-M275 PolarHBondContact OD1-N 3Å; Y258-M275 HydrophobicContact CD2-CE 4.24Å; Y258-M275 HydrophobicContact CE2-CE 3.96Å; C273-M275 HydrophobicContact CB-CE 3.45Å; C273-M275 VanDerWaalsContact CB-CE 3.45Å; C273-M275 HydrophobicContact CB-CG 4.42Å; C273-M275 HydrophobicContact CB-SD 4.01Å; M275-G280 WeakPolarHBondContact O-CA 3.34Å |
| 276 | R | 91.4 | Very high | 91.9 | Very high | 192 Ų | 192 | 78 Ų | 78 | 73% | 0.725 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -113.9 | -39.6 | -171.5 | -65.3 | 178.9 | 73.7 | -175.4 | -1.5 | 113.2 | D255 D274 | D255-R276 WeakPolarHBondContact OD1-CG 3.31Å; D255-R276 PolarHBondContact OD1-N 3.27Å; D255-R276 WeakPolarHBondContact OD2-CD 3.43Å; D274-R276 PolarHBondContact OD1-N 3.04Å |
| 277 | T | 90.1 | Very high | 91.8 | Very high | 68 Ų | 68 | 82.5 Ų | 82.5 | 42% | 0.417 | 42% | 0.415 | S | S | . | . | G | 310 helix | trans | -72.4 | 133 | -175.7 | -53.9 | 0 | 0 | 0 | 0 | 110.8 | D274 G279 G280 W282 | D274-T277 VanDerWaalsContact CG-OG1 3.31Å; D274-T277 WeakPolarHBondContact OD1-CB 3.36Å; D274-T277 PolarHBondContact OD1-N 3.21Å; D274-T277 PolarHBondContact OD1-OG1 2.91Å; D274-T277 WeakPolarHBondContact OD2-CB 3.45Å; D274-T277 PolarHBondContact OD2-OG1 3Å; T277-G279 PolarHBondContact O-N 3.04Å; T277-G280 PolarHBondContact O-N 3.07Å; T277-W282 PolarHBondContact O-NE1 3.28Å |
| 278 | D | 87.9 | Confident | 91.7 | Very high | 147 Ų | 147 | 89.1 Ų | 89.1 | 79% | 0.786 | 43% | 0.425 | S | S | * | . | G | 310 helix | trans | 48.6 | 35.1 | 174.2 | -63.5 | -27 | 0 | 0 | 0 | 115.8 | W282 | D278-W282 HydrophobicContact CB-CZ2 4.34Š|
| 279 | G | 84.3 | Confident | 90.5 | Very high | 66 Ų | 66 | 99.2 Ų | 99.2 | 68% | 0.68 | 47% | 0.468 | S | S | * | . | G | 310 helix | trans | 93.4 | 1.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | T277 | T277-G279 PolarHBondContact O-N 3.04Š|
| 280 | G | 91.9 | Very high | 90.3 | Very high | 11 Ų | 11 | 99.3 Ų | 99.3 | 11% | 0.113 | 47% | 0.47 | C | S | . | . | S | Bend | trans | 76.2 | 179.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | D274 M275 T277 | D274-G280 CarbonylContact O-C 3.59Å; M275-G280 WeakPolarHBondContact O-CA 3.34Å; T277-G280 PolarHBondContact O-N 3.07Å |
| 281 | G | 93.6 | Very high | 90.1 | Very high | 11 Ų | 11 | 97 Ų | 97 | 11% | 0.113 | 46% | 0.459 | C | S | . | . | trans | 84.6 | 14 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | C244 L245 D274 | C244-G281 CarbonylContact C-O 3.56Å; C244-G281 WeakPolarHBondContact CB-O 3.22Å; L245-G281 PolarHBondContact N-O 3.2Å; D274-G281 PolarHBondContact O-N 2.81Å | ||
| 282 | W | 96.1 | Very high | 89.8 | Confident | 140 Ų | 140 | 101.5 Ų | 101.5 | 53% | 0.53 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 127.9 | -179.4 | -67.3 | 103.5 | 0 | 0 | 0 | 111 | C273 D274 T277 D278 | C273-W282 VanDerWaalsContact CA-O 3.29Å; C273-W282 WeakPolarHBondContact CA-O 3.27Å; D274-W282 HydrophobicContact CB-CB 4.11Å; D274-W282 PolarHBondContact N-O 3.33Å; D274-W282 PolarHBondContact O-N 3.44Å; T277-W282 PolarHBondContact O-NE1 3.28Å; D278-W282 HydrophobicContact CB-CZ2 4.34Å |
| 283 | T | 95.1 | Very high | 89.4 | Confident | 57 Ų | 57 | 101.8 Ų | 101.8 | 35% | 0.35 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 112.6 | 171.9 | -52.1 | 0 | 0 | 0 | 0 | 109.3 | C244 V271 | C244-T283 VanDerWaalsContact CB-OG1 3.31Å; C244-T283 WeakPolarHBondContact CB-OG1 3.46Å; C244-T283 PolarHBondContact N-OG1 3.14Å; C244-T283 VanDerWaalsContact SG-CA 3.57Å; C244-T283 PolarHBondContact SG-OG1 2.93Å; V271-T283 HydrophobicContact CB-CG2 3.89Å; V271-T283 HydrophobicContact CG1-CG2 3.97Å; V271-T283 HydrophobicContact CG2-CG2 3.93Å |
| 284 | V | 92.4 | Very high | 89 | Confident | 52 Ų | 52 | 108.1 Ų | 108.1 | 32% | 0.315 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 120.7 | -178.1 | -179.1 | 0 | 0 | 0 | 0 | 110.1 | Y272 | Y272-V284 HydrophobicContact CD1-CB 4.26Å; Y272-V284 HydrophobicContact CD1-CG2 3.84Å; Y272-V284 WeakPolarHBondContact O-CB 3.42Å; Y272-V284 PolarHBondContact O-N 2.9Å |
| 285 | F | 89.4 | Confident | 88.6 | Confident | 199 Ų | 199 | 113.2 Ų | 113.2 | 87% | 0.873 | 54% | 0.539 | S | S | * | . | trans | -103.6 | -17.4 | 179.9 | 64.9 | -87.4 | 0 | 0 | 0 | 113.8 | ||||
| 286 | Q | 87.9 | Confident | 88.2 | Confident | 122 Ų | 122 | 120.4 Ų | 120.4 | 57% | 0.57 | 57% | 0.573 | S | S | * | * | trans | -155.5 | 136.3 | 173.8 | -179.3 | 174 | 91.6 | 0 | 0 | 110 | ||||
| 287 | R | 81.5 | Confident | 87.9 | Confident | 183 Ų | 183 | 114.9 Ų | 114.9 | 69% | 0.691 | 56% | 0.561 | S | S | * | * | trans | -125.8 | 136 | 169 | -170.9 | -179.6 | -173.6 | -174.4 | 3.3 | 108.6 | E289 | R287-E289 HydrophobicContact CG-CG 4.42Å; R287-E289 IonicContact CZ-OE1 3.32Å; R287-E289 IonicContact NE-OE1 3.96Å; R287-E289 IonicContact NH1-OE1 3.59Å; R287-E289 PolarHBondContact NH1-OE1 3.35Å | ||
| 288 | R | 86.4 | Confident | 87.8 | Confident | 211 Ų | 211 | 118.8 Ų | 118.8 | 80% | 0.796 | 57% | 0.573 | S | S | * | * | trans | -112.2 | 126.8 | 170 | -61.1 | -177.6 | -173.4 | -162.8 | -0.5 | 106.8 | ||||
| 289 | E | 66.5 | Low | 87.7 | Confident | 227 Ų | 227 | 116.3 Ų | 116.3 | 100% | 1.061 | 55% | 0.554 | S | S | * | * | trans | -105.2 | 0 | 173.9 | -63 | -173.3 | 168.6 | 0 | 0 | 109.6 | R287 | R287-E289 HydrophobicContact CG-CG 4.42Å; R287-E289 IonicContact CZ-OE1 3.32Å; R287-E289 IonicContact NE-OE1 3.96Å; R287-E289 IonicContact NH1-OE1 3.59Å; R287-E289 PolarHBondContact NH1-OE1 3.35Å |
Retrieved 289 of 289 residues in 49.1 ms
(Link to these results)