| 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 | 26.7 | Very low | 31.2 | Very low | 236 Ų | 236 | 143.6 Ų | 143.6 | 100% | 1.163 | 84% | 0.844 | S | S | * | * | 0 | 95.8 | 0 | -69.2 | 177.2 | 172.3 | 0 | 0 | 105.2 | |||||
| 2 | V | 31.6 | Very low | 31.9 | Very low | 146 Ų | 146 | 142.3 Ų | 142.3 | 89% | 0.885 | 84% | 0.839 | S | S | * | * | cis | -128.4 | 133.6 | 47.2 | 173 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 3 | T | 24.1 | Very low | 31.8 | Very low | 138 Ų | 138 | 147.6 Ų | 147.6 | 85% | 0.847 | 85% | 0.845 | S | S | * | * | trans | -114.7 | 119.4 | -178.2 | -24.3 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 4 | A | 31.2 | Very low | 31.9 | Very low | 97 Ų | 97 | 142 Ų | 142 | 80% | 0.802 | 84% | 0.836 | S | S | * | * | trans | -157.3 | 99.2 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 5 | C | 25 | Very low | 31.7 | Very low | 130 Ų | 130 | 140.9 Ų | 140.9 | 88% | 0.878 | 84% | 0.838 | S | S | * | * | trans | -108.2 | 126 | 157 | -79.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 6 | K | 31.7 | Very low | 32 | Very low | 183 Ų | 183 | 139.5 Ų | 139.5 | 80% | 0.796 | 83% | 0.831 | S | S | * | * | trans | 179.4 | 114.3 | 150.6 | -123.4 | 178.3 | 176.9 | 178.4 | 0 | 108.8 | ||||
| 7 | V | 37.2 | Very low | 31.7 | Very low | 146 Ų | 146 | 140.6 Ų | 140.6 | 89% | 0.885 | 83% | 0.832 | S | S | * | * | -160.9 | 138.8 | 115 | -159.2 | 0 | 0 | 0 | 0 | 106.9 | |||||
| 8 | G | 33.5 | Very low | 31.9 | Very low | 73 Ų | 73 | 140.8 Ų | 140.8 | 75% | 0.753 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 144.6 | -160.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||
| 9 | C | 30.8 | Very low | 31.7 | Very low | 78 Ų | 78 | 138.8 Ų | 138.8 | 53% | 0.527 | 82% | 0.822 | S | S | . | * | P | Polyproline II helix | trans | -82.4 | 120.3 | 163.9 | -98.5 | 0 | 0 | 0 | 0 | 108.5 | C30 | C9-C30 WeakPolarHBondContact CB-SG 3.35Å; C9-C30 WeakPolarHBondContact SG-CB 2.9Å; C9-C30 CovalentContact SG-SG 2.08Å; C9-C30 PolarHBondContact SG-SG 3.25Å |
| 10 | L | 37.7 | Very low | 31.6 | Very low | 179 Ų | 179 | 141.6 Ų | 141.6 | 94% | 0.937 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 122.5 | 178.9 | -79.5 | 161.6 | 0 | 0 | 0 | 110.9 | ||
| 11 | Q | 34 | Very low | 31.6 | Very low | 174 Ų | 174 | 138.8 Ų | 138.8 | 81% | 0.813 | 82% | 0.82 | S | S | * | * | trans | -105.5 | 124.6 | 158.1 | -76.5 | -173.1 | -1.9 | 0 | 0 | 108.4 | ||||
| 12 | T | 38.8 | Very low | 31.7 | Very low | 128 Ų | 128 | 133.9 Ų | 133.9 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | 151 | 126.3 | 124.2 | 46.7 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 13 | K | 31.1 | Very low | 32.5 | Very low | 211 Ų | 211 | 130.2 Ų | 130.2 | 92% | 0.917 | 77% | 0.773 | S | S | * | * | trans | 38.3 | 112.9 | 141 | -69.8 | -178.7 | 173.6 | 179.4 | 0 | 118.7 | ||||
| 14 | G | 33.3 | Very low | 33.4 | Very low | 69 Ų | 69 | 131.4 Ų | 131.4 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | trans | 176.9 | 102.6 | 157.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | T16 | G14-T16 PolarHBondContact O-N 3.12Š| ||
| 15 | S | 29.4 | Very low | 34.2 | Very low | 125 Ų | 125 | 133.9 Ų | 133.9 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | trans | -56.6 | 113.7 | 165.9 | 140.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 16 | T | 35.7 | Very low | 35.3 | Very low | 119 Ų | 119 | 128.9 Ų | 128.9 | 73% | 0.73 | 74% | 0.737 | S | S | * | * | trans | -153 | 121.7 | 158.6 | 17.9 | 0 | 0 | 0 | 0 | 110.1 | G14 L18 | G14-T16 PolarHBondContact O-N 3.12Å; T16-L18 PolarHBondContact O-N 3.41Å | ||
| 17 | D | 27.5 | Very low | 36.4 | Very low | 158 Ų | 158 | 125.1 Ų | 125.1 | 85% | 0.845 | 73% | 0.731 | S | S | * | * | trans | -42.2 | 117.1 | 168.4 | -153.4 | -0.5 | 0 | 0 | 0 | 111.6 | ||||
| 18 | L | 34.4 | Very low | 37.2 | Very low | 145 Ų | 145 | 123.8 Ų | 123.8 | 76% | 0.759 | 71% | 0.711 | S | S | * | * | trans | -139.3 | 87.1 | 174.8 | -82.8 | 168.2 | 0 | 0 | 0 | 109.1 | T16 | T16-L18 PolarHBondContact O-N 3.41Š| ||
| 19 | S | 29.6 | Very low | 38.4 | Very low | 102 Ų | 102 | 124.3 Ų | 124.3 | 71% | 0.713 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -55.5 | 140.1 | 150.6 | 37.7 | 0 | 0 | 0 | 0 | 109.6 | ||
| 20 | E | 28.9 | Very low | 38.9 | Very low | 194 Ų | 194 | 124.5 Ų | 124.5 | 91% | 0.907 | 70% | 0.697 | S | S | * | * | trans | 58.8 | 61.8 | 175 | -69.7 | -177.6 | 135.1 | 0 | 0 | 117.2 | N22 | E20-N22 PolarHBondContact O-N 3.23Å; E20-N22 VanDerWaalsContact O-N 3.09Å | ||
| 21 | A | 30.8 | Very low | 39.2 | Very low | 84 Ų | 84 | 121 Ų | 121 | 69% | 0.694 | 68% | 0.68 | S | S | * | * | trans | -72.6 | 98.7 | 157.4 | 0 | 0 | 0 | 0 | 0 | 110 | I23 | A21-I23 PolarHBondContact O-N 2.96Å; A21-I23 VanDerWaalsContact O-N 3.15Å | ||
| 22 | N | 30 | Very low | 39.6 | Very low | 132 Ų | 132 | 120.4 Ų | 120.4 | 71% | 0.706 | 68% | 0.682 | S | S | * | * | trans | -56.9 | 116.1 | 170.9 | -155 | -31.8 | 0 | 0 | 0 | 109 | E20 K24 | E20-N22 PolarHBondContact O-N 3.23Å; E20-N22 VanDerWaalsContact O-N 3.09Å; N22-K24 PolarHBondContact O-N 3.36Å | ||
| 23 | I | 47.5 | Very low | 39.2 | Very low | 70 Ų | 70 | 119.8 Ų | 119.8 | 36% | 0.359 | 68% | 0.682 | S | S | . | * | G | 310 helix | trans | -64.1 | -5.3 | -161.4 | -67.6 | 176.9 | 0 | 0 | 0 | 113.7 | A21 D25 S243 R270 | A21-I23 PolarHBondContact O-N 2.96Å; A21-I23 VanDerWaalsContact O-N 3.15Å; I23-D25 PolarHBondContact O-N 2.83Å; I23-S243 WeakPolarHBondContact CD1-O 3.33Å; I23-R270 PolarHBondContact O-NH1 3.16Å; I23-R270 PolarHBondContact O-NH2 3.25Å |
| 24 | K | 43.3 | Very low | 39.4 | Very low | 162 Ų | 162 | 121.4 Ų | 121.4 | 70% | 0.704 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -61.3 | -27.2 | -179.2 | -72.3 | -173.1 | 176.6 | 179.7 | 0 | 114.1 | N22 R270 | N22-K24 PolarHBondContact O-N 3.36Å; K24-R270 PolarHBondContact O-NH1 2.9Å |
| 25 | D | 48.3 | Very low | 39.4 | Very low | 149 Ų | 149 | 124 Ų | 124 | 80% | 0.797 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -120.7 | 24.1 | -169.8 | -56.9 | -44.5 | 0 | 0 | 0 | 115.2 | I23 | I23-D25 PolarHBondContact O-N 2.83Š|
| 26 | G | 48.4 | Very low | 39.4 | Very low | 26 Ų | 26 | 123.3 Ų | 123.3 | 27% | 0.268 | 68% | 0.679 | S | S | . | * | P | Polyproline II helix | trans | -59.8 | 146.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 27 | P | 54.7 | Low | 39.2 | Very low | 104 Ų | 104 | 124.2 Ų | 124.2 | 68% | 0.675 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 136.6 | -176.5 | 25.9 | -33.6 | 0 | 0 | 0 | 111.8 | R270 | P27-R270 PolarHBondContact O-N 3.09Š|
| 28 | Y | 52.6 | Low | 39.5 | Very low | 118 Ų | 118 | 123.3 Ų | 123.3 | 46% | 0.463 | 69% | 0.685 | S | S | . | * | B | Isolated β-bridge | trans | -76.8 | 128.3 | 170.9 | -75 | -96.4 | 0 | 0 | 0 | 109.8 | R270 | Y28-R270 CarbonylContact C-O 3.6Å; Y28-R270 VanDerWaalsContact CA-O 3.23Å; Y28-R270 WeakPolarHBondContact CA-O 3.32Å; Y28-R270 HydrophobicContact CD1-CB 4.21Å; Y28-R270 HydrophobicContact CE1-CB 4.35Å |
| 29 | L | 58.7 | Low | 39.3 | Very low | 84 Ų | 84 | 123.2 Ų | 123.2 | 44% | 0.44 | 69% | 0.691 | S | S | . | * | P | Polyproline II helix | trans | -77.6 | 123.7 | 170.6 | -68.7 | 166.9 | 0 | 0 | 0 | 108.8 | V199 R270 | L29-V199 HydrophobicContact CD1-CB 3.95Å; L29-V199 HydrophobicContact CD1-CG1 4.19Å; L29-V199 HydrophobicContact CD1-CG2 4.26Å; L29-R270 PolarHBondContact N-O 3.21Å |
| 30 | C | 41.8 | Very low | 39.5 | Very low | 81 Ų | 81 | 124.1 Ų | 124.1 | 55% | 0.547 | 70% | 0.697 | S | S | . | * | P | Polyproline II helix | trans | -76.1 | 126.6 | 172.2 | -55.3 | 0 | 0 | 0 | 0 | 109 | C9 | C9-C30 WeakPolarHBondContact CB-SG 3.35Å; C9-C30 WeakPolarHBondContact SG-CB 2.9Å; C9-C30 CovalentContact SG-SG 2.08Å; C9-C30 PolarHBondContact SG-SG 3.25Å |
| 31 | D | 44.2 | Very low | 39.6 | Very low | 105 Ų | 105 | 119.9 Ų | 119.9 | 56% | 0.561 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 138.3 | 169.8 | -82.3 | -29.3 | 0 | 0 | 0 | 109.9 | C33 K273 | D31-C33 PolarHBondContact O-N 2.99Å; D31-K273 WeakPolarHBondContact OD1-CE 3.45Å; D31-K273 IonicContact OD1-NZ 3.85Å; D31-K273 WeakPolarHBondContact OD2-CE 3.4Å |
| 32 | D | 42.3 | Very low | 39.9 | Very low | 162 Ų | 162 | 120.6 Ų | 120.6 | 87% | 0.866 | 69% | 0.686 | S | S | * | * | trans | -44.3 | 123.6 | -172 | -94.5 | -37.4 | 0 | 0 | 0 | 115.3 | R34 | D32-R34 PolarHBondContact O-N 3.15Å; D32-R34 VanDerWaalsContact O-N 3.16Å | ||
| 33 | C | 31.6 | Very low | 40.1 | Very low | 115 Ų | 115 | 123.9 Ų | 123.9 | 78% | 0.777 | 70% | 0.695 | S | S | * | * | trans | -73.3 | 98.9 | 161 | -69.6 | 0 | 0 | 0 | 0 | 109 | D31 V35 | D31-C33 PolarHBondContact O-N 2.99Å; C33-V35 PolarHBondContact O-N 3.49Å | ||
| 34 | R | 35.4 | Very low | 39.4 | Very low | 246 Ų | 246 | 129.3 Ų | 129.3 | 93% | 0.928 | 72% | 0.719 | S | S | * | * | trans | -63.4 | 99.5 | 165.6 | -98.7 | -176.9 | 173.9 | 169.4 | -1.1 | 109.5 | D32 | D32-R34 PolarHBondContact O-N 3.15Å; D32-R34 VanDerWaalsContact O-N 3.16Å | ||
| 35 | V | 31.9 | Very low | 38.8 | Very low | 124 Ų | 124 | 131 Ų | 131 | 75% | 0.752 | 73% | 0.726 | S | S | * | * | trans | -81.3 | 122.2 | 163.9 | -177.3 | 0 | 0 | 0 | 0 | 107.9 | C33 T37 | C33-V35 PolarHBondContact O-N 3.49Å; V35-T37 PolarHBondContact O-N 3.13Å | ||
| 36 | S | 29.3 | Very low | 38.1 | Very low | 110 Ų | 110 | 130.8 Ų | 130.8 | 77% | 0.769 | 73% | 0.725 | S | S | * | * | trans | -60.2 | 111.8 | 174.5 | -43.1 | 0 | 0 | 0 | 0 | 110.1 | T38 | S36-T38 PolarHBondContact O-N 2.94Š| ||
| 37 | T | 32.6 | Very low | 37.3 | Very low | 138 Ų | 138 | 136.2 Ų | 136.2 | 85% | 0.847 | 75% | 0.748 | S | S | * | * | trans | -76.7 | 109.8 | 172.6 | 31.7 | 0 | 0 | 0 | 0 | 110.1 | V35 | V35-T37 PolarHBondContact O-N 3.13Š| ||
| 38 | T | 33.2 | Very low | 36.4 | Very low | 138 Ų | 138 | 142.9 Ų | 142.9 | 85% | 0.847 | 76% | 0.759 | S | S | * | * | trans | -82.8 | 128.3 | 163.2 | 37.2 | 0 | 0 | 0 | 0 | 110.4 | S36 | S36-T38 PolarHBondContact O-N 2.94Š| ||
| 39 | T | 29.4 | Very low | 35.5 | Very low | 144 Ų | 144 | 144.4 Ų | 144.4 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | trans | -60.8 | 125.6 | -177.3 | -38.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 40 | S | 35.4 | Very low | 34.6 | Very low | 120 Ų | 120 | 144.1 Ų | 144.1 | 84% | 0.839 | 78% | 0.779 | S | S | * | * | trans | -162.4 | 127.5 | 142.9 | 56.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 41 | S | 31.4 | Very low | 34.1 | Very low | 106 Ų | 106 | 146.9 Ų | 146.9 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | trans | -115.7 | 175.3 | -179.1 | 139 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 42 | P | 36 | Very low | 33.6 | Very low | 99 Ų | 99 | 148.3 Ų | 148.3 | 64% | 0.643 | 80% | 0.8 | S | S | * | * | cis | -132.5 | -174.8 | -37.4 | 37.6 | -20.5 | 0 | 0 | 0 | 111.2 | ||||
| 43 | F | 33.9 | Very low | 33.1 | Very low | 201 Ų | 201 | 145 Ų | 145 | 88% | 0.882 | 80% | 0.795 | S | S | * | * | trans | 143.5 | 126.1 | 161 | -87.6 | -75.5 | 0 | 0 | 0 | 105.8 | ||||
| 44 | E | 32.9 | Very low | 33 | Very low | 184 Ų | 184 | 146.5 Ų | 146.5 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | cis | -164.6 | 160.6 | 38.9 | -168.4 | 165 | 158.5 | 0 | 0 | 110.3 | ||||
| 45 | K | 31.6 | Very low | 32.8 | Very low | 196 Ų | 196 | 142.3 Ų | 142.3 | 85% | 0.852 | 79% | 0.79 | S | S | * | * | trans | -72 | 147.8 | -173.6 | -66.4 | 164.4 | 174.4 | 171.1 | 0 | 113.4 | ||||
| 46 | D | 33 | Very low | 32.6 | Very low | 145 Ų | 145 | 141.9 Ų | 141.9 | 78% | 0.775 | 79% | 0.788 | S | S | * | * | -149.1 | 133.9 | 127.9 | -159.1 | 7.5 | 0 | 0 | 0 | 111.8 | |||||
| 47 | N | 32.6 | Very low | 32.7 | Very low | 141 Ų | 141 | 146.7 Ų | 146.7 | 75% | 0.754 | 79% | 0.791 | S | S | * | * | trans | -95.6 | 130.6 | -177.1 | -97.2 | -25.5 | 0 | 0 | 0 | 108.9 | ||||
| 48 | R | 34.5 | Very low | 32.6 | Very low | 243 Ų | 243 | 148 Ų | 148 | 92% | 0.917 | 79% | 0.787 | S | S | * | * | trans | -163 | 118 | 142.3 | -112 | 173.2 | -96 | -159.1 | -0.6 | 111.7 | ||||
| 49 | N | 34.1 | Very low | 32.3 | Very low | 151 Ų | 151 | 150.2 Ų | 150.2 | 81% | 0.807 | 79% | 0.785 | S | S | * | * | trans | -121.5 | -178.1 | 171.8 | -155.8 | 21.7 | 0 | 0 | 0 | 105.7 | ||||
| 50 | P | 39.2 | Very low | 32.4 | Very low | 77 Ų | 77 | 149 Ų | 149 | 50% | 0.5 | 78% | 0.779 | S | S | . | * | cis | -132.2 | -170.6 | -31.7 | 16 | 9.6 | 0 | 0 | 0 | 112.4 | ||||
| 51 | N | 31.6 | Very low | 32 | Very low | 139 Ų | 139 | 149 Ų | 149 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | trans | 95.6 | 124.3 | 150.2 | -49.8 | -50 | 0 | 0 | 0 | 117 | ||||
| 52 | V | 34 | Very low | 32.1 | Very low | 136 Ų | 136 | 148.7 Ų | 148.7 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | 173.6 | 136.7 | 92.7 | 161.6 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 53 | A | 32.4 | Very low | 31.8 | Very low | 91 Ų | 91 | 150.3 Ų | 150.3 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | trans | 66.7 | 119.1 | 150.3 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 54 | I | 28.7 | Very low | 31.8 | Very low | 148 Ų | 148 | 145.7 Ų | 145.7 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | trans | -73.1 | 142.3 | 153.1 | -64.1 | 161.7 | 0 | 0 | 0 | 108.6 | ||||
| 55 | D | 32 | Very low | 31.6 | Very low | 158 Ų | 158 | 142.7 Ų | 142.7 | 85% | 0.845 | 77% | 0.771 | S | S | * | * | trans | -148.4 | 118.1 | 148.2 | -102.5 | -25.5 | 0 | 0 | 0 | 112 | ||||
| 56 | T | 26.4 | Very low | 31.6 | Very low | 114 Ų | 114 | 138.6 Ų | 138.6 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | trans | -79.2 | 133.9 | 167 | 31.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 57 | Y | 31.5 | Very low | 31.5 | Very low | 212 Ų | 212 | 139 Ų | 139 | 83% | 0.831 | 77% | 0.769 | S | S | * | * | trans | -151.5 | 154.3 | 153.2 | -104.8 | -77.2 | 0 | 0 | 0 | 114.6 | ||||
| 58 | Q | 31.8 | Very low | 31.3 | Very low | 166 Ų | 166 | 137.3 Ų | 137.3 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | trans | -84 | 159.9 | -154.7 | -66.3 | 152.2 | -61.2 | 0 | 0 | 116.4 | ||||
| 59 | K | 26.3 | Very low | 31.1 | Very low | 183 Ų | 183 | 133.4 Ų | 133.4 | 80% | 0.796 | 77% | 0.765 | S | S | * | * | trans | -58.4 | 154.1 | 167.4 | -175.4 | -179.6 | 178.5 | -178 | 0 | 113 | ||||
| 60 | P | 31.3 | Very low | 30.9 | Very low | 119 Ų | 119 | 131.8 Ų | 131.8 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | -137.6 | 162.4 | 122.6 | 18.5 | 3.1 | 0 | 0 | 0 | 116.3 | |||||
| 61 | T | 27.3 | Very low | 30.4 | Very low | 119 Ų | 119 | 132.7 Ų | 132.7 | 73% | 0.73 | 78% | 0.776 | S | S | * | * | trans | -67.1 | 140.1 | -177.5 | -29.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 62 | A | 32.8 | Very low | 30.4 | Very low | 101 Ų | 101 | 136.3 Ų | 136.3 | 84% | 0.835 | 78% | 0.781 | S | S | * | * | trans | -179.7 | 146.5 | 137.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 63 | V | 29.9 | Very low | 30 | Very low | 132 Ų | 132 | 140.7 Ų | 140.7 | 80% | 0.8 | 78% | 0.783 | S | S | * | * | trans | -133.6 | 174 | -170 | 174.4 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 64 | P | 34.9 | Very low | 30 | Very low | 105 Ų | 105 | 143.5 Ų | 143.5 | 68% | 0.682 | 78% | 0.784 | S | S | * | * | cis | -126.3 | -176.9 | -23.8 | 23.7 | -1.5 | 0 | 0 | 0 | 113.3 | ||||
| 65 | T | 27.6 | Very low | 29.9 | Very low | 120 Ų | 120 | 144 Ų | 144 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | 137.3 | 138.3 | 111.5 | -30.3 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 66 | S | 32.3 | Very low | 29.8 | Very low | 110 Ų | 110 | 142 Ų | 142 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | trans | 85.2 | 140.2 | 164.9 | 94 | 0 | 0 | 0 | 0 | 115 | ||||
| 67 | L | 30.7 | Very low | 29.7 | Very low | 155 Ų | 155 | 139.7 Ų | 139.7 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | cis | -167.3 | 148.5 | 0.7 | -165.5 | 65.7 | 0 | 0 | 0 | 107 | ||||
| 68 | S | 29.1 | Very low | 29.6 | Very low | 104 Ų | 104 | 138.8 Ų | 138.8 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | 58.6 | 109.8 | 153.4 | 60.7 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 69 | D | 29.6 | Very low | 29.2 | Very low | 161 Ų | 161 | 136.9 Ų | 136.9 | 86% | 0.861 | 78% | 0.779 | S | S | * | * | -151.3 | 129.3 | 129.4 | -138.8 | -14.5 | 0 | 0 | 0 | 110.9 | |||||
| 70 | P | 28.9 | Very low | 29.5 | Very low | 117 Ų | 117 | 137.4 Ų | 137.4 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | trans | -108.8 | 98 | -170.4 | 36 | -22.4 | 0 | 0 | 0 | 112.3 | ||||
| 71 | A | 29.3 | Very low | 29.4 | Very low | 96 Ų | 96 | 137 Ų | 137 | 79% | 0.793 | 78% | 0.775 | S | S | * | * | trans | -164.3 | 71.1 | 165 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 72 | Y | 31.1 | Very low | 29.3 | Very low | 215 Ų | 215 | 138 Ų | 138 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | trans | -161.1 | 110.5 | 143 | -143.9 | -106.2 | 0 | 0 | 0 | 111.1 | I74 | Y72-I74 PolarHBondContact O-N 2.92Å; Y72-I74 VanDerWaalsContact O-N 3.15Å | ||
| 73 | R | 27.1 | Very low | 29.1 | Very low | 229 Ų | 229 | 137.2 Ų | 137.2 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | trans | -72.1 | 103.9 | 171.2 | -76.2 | -174.4 | -178.6 | -165.1 | 1.1 | 108.8 | M75 | R73-M75 PolarHBondContact O-N 3.29Š| ||
| 74 | I | 31.6 | Very low | 29 | Very low | 150 Ų | 150 | 141.3 Ų | 141.3 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | trans | -70 | 111.5 | 161 | -59.9 | 178 | 0 | 0 | 0 | 107.1 | Y72 | Y72-I74 PolarHBondContact O-N 2.92Å; Y72-I74 VanDerWaalsContact O-N 3.15Å | ||
| 75 | M | 26.8 | Very low | 28.7 | Very low | 159 Ų | 159 | 144.4 Ų | 144.4 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | trans | -74.2 | 134.1 | 163.6 | -81 | -97.2 | 128.5 | 0 | 0 | 108.8 | R73 | R73-M75 PolarHBondContact O-N 3.29Š| ||
| 76 | P | 28.8 | Very low | 28.8 | Very low | 115 Ų | 115 | 141.8 Ų | 141.8 | 75% | 0.747 | 78% | 0.778 | S | S | * | * | trans | -80.7 | 136.9 | -172.8 | 32.3 | -32.4 | 0 | 0 | 0 | 112.1 | ||||
| 77 | G | 25.5 | Very low | 28.7 | Very low | 66 Ų | 66 | 142.8 Ų | 142.8 | 68% | 0.68 | 79% | 0.785 | S | S | * | * | trans | 48 | 107.7 | 137.8 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 78 | F | 28.4 | Very low | 28.6 | Very low | 192 Ų | 192 | 138.6 Ų | 138.6 | 84% | 0.842 | 78% | 0.78 | S | S | * | * | trans | -122.5 | 103.2 | 143.2 | -108.7 | -97.9 | 0 | 0 | 0 | 108.7 | Y80 | F78-Y80 AromaticContact CD1-CD2 3.76Å; F78-Y80 HydrophobicContact CD1-CD2 3.76Å; F78-Y80 AromaticContact CD1-CE2 3.62Å; F78-Y80 HydrophobicContact CD1-CE2 3.62Å; F78-Y80 HydrophobicContact CE1-CD2 4.14Å; F78-Y80 AromaticContact CE1-CE2 3.64Å; F78-Y80 HydrophobicContact CE1-CE2 3.64Å | ||
| 79 | V | 24.9 | Very low | 28.7 | Very low | 126 Ų | 126 | 140 Ų | 140 | 76% | 0.764 | 78% | 0.783 | S | S | * | * | trans | -100.5 | 116.6 | 172.7 | 173.8 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 80 | Y | 30.9 | Very low | 28.8 | Very low | 195 Ų | 195 | 141.8 Ų | 141.8 | 77% | 0.765 | 78% | 0.783 | S | S | * | * | trans | -145.5 | 150.4 | 162.2 | -75.1 | -66.3 | 0 | 0 | 0 | 112.7 | F78 | F78-Y80 AromaticContact CD1-CD2 3.76Å; F78-Y80 HydrophobicContact CD1-CD2 3.76Å; F78-Y80 AromaticContact CD1-CE2 3.62Å; F78-Y80 HydrophobicContact CD1-CE2 3.62Å; F78-Y80 HydrophobicContact CE1-CD2 4.14Å; F78-Y80 AromaticContact CE1-CE2 3.64Å; F78-Y80 HydrophobicContact CE1-CE2 3.64Å | ||
| 81 | P | 29.6 | Very low | 28.7 | Very low | 109 Ų | 109 | 145.8 Ų | 145.8 | 71% | 0.708 | 79% | 0.789 | S | S | * | * | trans | -97.5 | 155.6 | -132.9 | 35.7 | -35.7 | 0 | 0 | 0 | 115 | ||||
| 82 | T | 24.6 | Very low | 28.8 | Very low | 142 Ų | 142 | 149.5 Ų | 149.5 | 87% | 0.871 | 80% | 0.795 | S | S | * | * | trans | -69.3 | 120.7 | 169 | 53.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 83 | S | 28.9 | Very low | 28.8 | Very low | 84 Ų | 84 | 144.1 Ų | 144.1 | 59% | 0.587 | 79% | 0.786 | S | S | * | * | trans | -167.8 | 132.2 | 154.4 | 50.1 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 84 | Y | 29 | Very low | 29 | Very low | 217 Ų | 217 | 143.1 Ų | 143.1 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | -153.2 | 132.4 | 57.5 | -88.5 | -94.6 | 0 | 0 | 0 | 112.4 | |||||
| 85 | I | 28 | Very low | 28.9 | Very low | 171 Ų | 171 | 141.6 Ų | 141.6 | 88% | 0.877 | 79% | 0.786 | S | S | * | * | trans | -66.4 | 144.4 | 155.7 | -67.6 | 161.6 | 0 | 0 | 0 | 108.6 | ||||
| 86 | G | 29.5 | Very low | 29.3 | Very low | 65 Ų | 65 | 139.4 Ų | 139.4 | 67% | 0.67 | 79% | 0.786 | S | S | * | * | trans | 163.2 | 83.5 | 163.1 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 87 | S | 29.8 | Very low | 29.5 | Very low | 130 Ų | 130 | 138.5 Ų | 138.5 | 91% | 0.909 | 78% | 0.783 | S | S | * | * | 57.4 | 132.9 | 128.2 | -55 | 0 | 0 | 0 | 0 | 122 | |||||
| 88 | G | 30.3 | Very low | 30 | Very low | 68 Ų | 68 | 141.3 Ų | 141.3 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | trans | 127.2 | 75 | 131.4 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 89 | V | 29.9 | Very low | 30.2 | Very low | 132 Ų | 132 | 143.5 Ų | 143.5 | 80% | 0.8 | 80% | 0.795 | S | S | * | * | trans | 29.3 | 121.7 | 133.2 | -146 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 90 | K | 31.8 | Very low | 30.4 | Very low | 199 Ų | 199 | 144.8 Ų | 144.8 | 87% | 0.865 | 80% | 0.797 | S | S | * | * | 162.7 | 127.2 | 105.4 | -85.1 | -174.5 | -176.9 | 177.9 | 0 | 112.9 | |||||
| 91 | K | 27.3 | Very low | 30.5 | Very low | 202 Ų | 202 | 143.5 Ų | 143.5 | 88% | 0.878 | 80% | 0.802 | S | S | * | * | trans | -65.6 | 155.4 | 168.4 | -77.2 | 177.7 | 172.5 | 177.7 | 0 | 111.3 | ||||
| 92 | L | 31.4 | Very low | 30.6 | Very low | 174 Ų | 174 | 145.4 Ų | 145.4 | 91% | 0.911 | 81% | 0.806 | S | S | * | * | -169.9 | 157 | 118.8 | -92.8 | 155.9 | 0 | 0 | 0 | 110.9 | |||||
| 93 | P | 31.6 | Very low | 31.2 | Very low | 101 Ų | 101 | 146.3 Ų | 146.3 | 66% | 0.656 | 80% | 0.804 | S | S | * | * | trans | -108.9 | 169.8 | -152.5 | 41.4 | -34.6 | 0 | 0 | 0 | 113.4 | ||||
| 94 | F | 30.8 | Very low | 31.4 | Very low | 208 Ų | 208 | 148.1 Ų | 148.1 | 91% | 0.912 | 81% | 0.814 | S | S | * | * | trans | -152.2 | 143.5 | 151.7 | -115.4 | -84 | 0 | 0 | 0 | 113.1 | ||||
| 95 | T | 28.7 | Very low | 31.4 | Very low | 118 Ų | 118 | 142.2 Ų | 142.2 | 72% | 0.724 | 81% | 0.81 | S | S | * | * | trans | -69.1 | 161.1 | -179.4 | 54.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 96 | S | 35 | Very low | 31.6 | Very low | 113 Ų | 113 | 143.4 Ų | 143.4 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | -173.7 | 148.5 | 69.2 | 54.9 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 97 | S | 33 | Very low | 31.9 | Very low | 97 Ų | 97 | 146.5 Ų | 146.5 | 68% | 0.678 | 82% | 0.815 | S | S | * | * | trans | -21.8 | 143.8 | 162.5 | -144.7 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 98 | S | 36 | Very low | 31.9 | Very low | 125 Ų | 125 | 145.9 Ų | 145.9 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | trans | -141.2 | 114 | 144.7 | -42.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 99 | R | 33.4 | Very low | 32.4 | Very low | 237 Ų | 237 | 148.5 Ų | 148.5 | 89% | 0.894 | 82% | 0.818 | S | S | * | * | trans | -80.8 | 149.8 | 176.8 | -81.3 | -176.4 | -166.8 | -154 | 2.3 | 111.6 | ||||
| 100 | L | 29 | Very low | 32.7 | Very low | 154 Ų | 154 | 149.2 Ų | 149.2 | 81% | 0.806 | 82% | 0.817 | S | S | * | * | trans | -55 | 153.2 | 172.5 | -66.3 | 148.6 | 0 | 0 | 0 | 114.8 | ||||
| 101 | L | 34.1 | Very low | 33 | Very low | 168 Ų | 168 | 145.6 Ų | 145.6 | 88% | 0.88 | 82% | 0.817 | S | S | * | * | trans | -143.3 | 114.8 | 149.2 | -95.5 | 150.6 | 0 | 0 | 0 | 109.5 | ||||
| 102 | N | 31.7 | Very low | 33.3 | Very low | 148 Ų | 148 | 147.6 Ų | 147.6 | 79% | 0.791 | 82% | 0.819 | S | S | * | * | trans | -88 | 140.4 | 167.9 | -85.5 | -23.9 | 0 | 0 | 0 | 109.6 | ||||
| 103 | I | 36.1 | Very low | 33.4 | Very low | 162 Ų | 162 | 143 Ų | 143 | 83% | 0.831 | 81% | 0.814 | S | S | * | * | trans | -149.2 | 145.8 | 155.7 | -65.2 | -168.1 | 0 | 0 | 0 | 109.5 | ||||
| 104 | P | 33.6 | Very low | 33.6 | Very low | 122 Ų | 122 | 147 Ų | 147 | 79% | 0.792 | 82% | 0.823 | S | S | * | * | trans | -114.6 | -176.6 | -137.7 | 42.9 | -34.5 | 0 | 0 | 0 | 117 | ||||
| 105 | A | 29.1 | Very low | 33.9 | Very low | 93 Ų | 93 | 143.2 Ų | 143.2 | 77% | 0.769 | 82% | 0.817 | S | S | * | * | trans | -78.4 | 150.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 106 | K | 32.6 | Very low | 34.6 | Very low | 196 Ų | 196 | 142.7 Ų | 142.7 | 85% | 0.852 | 81% | 0.814 | S | S | * | * | trans | 171 | 145.1 | 148.7 | -97.5 | 174 | -175.5 | -178.3 | 0 | 106 | ||||
| 107 | T | 34.2 | Very low | 34.4 | Very low | 130 Ų | 130 | 147.6 Ų | 147.6 | 80% | 0.798 | 82% | 0.821 | S | S | * | * | cis | -167.5 | 157.7 | 30.1 | -2.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 108 | S | 31.3 | Very low | 34.5 | Very low | 116 Ų | 116 | 153.5 Ų | 153.5 | 81% | 0.811 | 83% | 0.829 | S | S | * | * | trans | -63.5 | 155.1 | 179.6 | 60.8 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 109 | S | 39.6 | Very low | 34.6 | Very low | 123 Ų | 123 | 155.3 Ų | 155.3 | 86% | 0.86 | 83% | 0.829 | S | S | * | * | trans | -147.4 | 141.8 | 138.5 | 61.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 110 | N | 36.1 | Very low | 34.8 | Very low | 148 Ų | 148 | 150.6 Ų | 150.6 | 79% | 0.791 | 83% | 0.831 | S | S | * | * | trans | -64.8 | 150.7 | -172.4 | -88.4 | -37.7 | 0 | 0 | 0 | 114.8 | ||||
| 111 | S | 38.6 | Very low | 35.3 | Very low | 123 Ų | 123 | 146.4 Ų | 146.4 | 86% | 0.86 | 83% | 0.825 | S | S | * | * | trans | -148.7 | 123.2 | 137.8 | 35.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 112 | R | 33.5 | Very low | 35.7 | Very low | 243 Ų | 243 | 147.8 Ų | 147.8 | 92% | 0.917 | 83% | 0.826 | S | S | * | * | trans | -78.8 | 142.5 | 178.1 | -70.8 | 172.4 | -179.9 | 157.4 | -1.3 | 109.8 | ||||
| 113 | G | 34 | Very low | 35.7 | Very low | 78 Ų | 78 | 146 Ų | 146 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | trans | -160 | 104.9 | 167 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 114 | H | 35 | Very low | 36 | Very low | 185 Ų | 185 | 143 Ų | 143 | 86% | 0.856 | 82% | 0.824 | S | S | * | * | trans | -46.3 | 146 | 172.1 | -101.1 | -94.7 | 0 | 0 | 0 | 113.1 | ||||
| 115 | T | 36.8 | Very low | 36.1 | Very low | 128 Ų | 128 | 144.7 Ų | 144.7 | 79% | 0.785 | 83% | 0.826 | S | S | * | * | 176.1 | 112.6 | 122.6 | 38.8 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 116 | T | 43.2 | Very low | 36.6 | Very low | 107 Ų | 107 | 151.5 Ų | 151.5 | 66% | 0.656 | 83% | 0.832 | S | S | * | * | trans | 30.3 | 115.6 | 138.1 | 60.9 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 117 | K | 31.7 | Very low | 36.9 | Very low | 216 Ų | 216 | 151 Ų | 151 | 94% | 0.939 | 84% | 0.835 | S | S | * | * | trans | -47 | 124.9 | 157.5 | -161.9 | 178.4 | -173.9 | -176.2 | 0 | 111.2 | ||||
| 118 | R | 35.8 | Very low | 37 | Very low | 221 Ų | 221 | 152.7 Ų | 152.7 | 83% | 0.834 | 84% | 0.839 | S | S | * | * | trans | -128.5 | 130.7 | 165.6 | -73 | -168 | -162.1 | 164.8 | 5.8 | 110.2 | ||||
| 119 | D | 37.9 | Very low | 37.3 | Very low | 164 Ų | 164 | 154.4 Ų | 154.4 | 88% | 0.877 | 84% | 0.838 | S | S | * | * | trans | -62.4 | 140.7 | 170.1 | -90.5 | -40.1 | 0 | 0 | 0 | 111.6 | G121 | D119-G121 PolarHBondContact O-N 2.76Š| ||
| 120 | C | 37.6 | Very low | 37.1 | Very low | 138 Ų | 138 | 154.8 Ų | 154.8 | 93% | 0.932 | 84% | 0.838 | S | S | * | * | trans | -83.6 | 94.3 | 168.7 | -71.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 121 | G | 39.7 | Very low | 37.1 | Very low | 66 Ų | 66 | 153.7 Ų | 153.7 | 68% | 0.68 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 165 | 168.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | D119 | D119-G121 PolarHBondContact O-N 2.76Š|
| 122 | Q | 41.6 | Very low | 36.9 | Very low | 196 Ų | 196 | 152.8 Ų | 152.8 | 92% | 0.916 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -47.5 | 141.7 | -173.4 | -67 | 150 | -22.4 | 0 | 0 | 115.6 | ||
| 123 | C | 32.3 | Very low | 36.9 | Very low | 110 Ų | 110 | 149.1 Ų | 149.1 | 74% | 0.743 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 120.6 | 167.6 | -65.7 | 0 | 0 | 0 | 0 | 109.2 | ||
| 124 | A | 41.5 | Very low | 36.7 | Very low | 101 Ų | 101 | 154.1 Ų | 154.1 | 84% | 0.835 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 140.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 125 | D | 35.7 | Very low | 36.5 | Very low | 156 Ų | 156 | 149.1 Ų | 149.1 | 83% | 0.834 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 152.9 | 175.1 | -80.1 | -43.5 | 0 | 0 | 0 | 113.3 | ||
| 126 | R | 39.1 | Very low | 36.1 | Very low | 236 Ų | 236 | 152.3 Ų | 152.3 | 89% | 0.891 | 82% | 0.822 | S | S | * | * | trans | 74.2 | 111.6 | 166.4 | -70.8 | -179.4 | 161.1 | -177.7 | -4.4 | 117.9 | ||||
| 127 | M | 39.8 | Very low | 35.8 | Very low | 186 Ų | 186 | 156.7 Ų | 156.7 | 92% | 0.916 | 83% | 0.828 | S | S | * | * | -162.7 | 123.6 | 111.4 | -101.2 | 166 | -158 | 0 | 0 | 110.4 | |||||
| 128 | N | 37.1 | Very low | 35.6 | Very low | 165 Ų | 165 | 149.1 Ų | 149.1 | 88% | 0.882 | 81% | 0.811 | S | S | * | * | trans | -63.4 | 130 | 170.9 | -70.7 | -50.6 | 0 | 0 | 0 | 110.4 | ||||
| 129 | L | 37.9 | Very low | 35.6 | Very low | 152 Ų | 152 | 143.9 Ų | 143.9 | 80% | 0.796 | 81% | 0.806 | S | S | * | * | trans | -149.5 | 125.9 | 153.1 | -102.5 | 129.2 | 0 | 0 | 0 | 108.5 | V131 | L129-V131 PolarHBondContact O-N 3.13Å; L129-V131 VanDerWaalsContact O-N 3.12Å | ||
| 130 | P | 33.5 | Very low | 35.6 | Very low | 132 Ų | 132 | 141 Ų | 141 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | trans | -77.6 | 102.4 | -179 | 30.6 | -30 | 0 | 0 | 0 | 109 | ||||
| 131 | V | 37.4 | Very low | 35.5 | Very low | 125 Ų | 125 | 139.1 Ų | 139.1 | 76% | 0.758 | 78% | 0.783 | S | S | * | * | trans | -86.5 | 120.6 | 164.9 | 170.6 | 0 | 0 | 0 | 0 | 107.7 | L129 L133 | L129-V131 PolarHBondContact O-N 3.13Å; L129-V131 VanDerWaalsContact O-N 3.12Å; V131-L133 PolarHBondContact O-N 2.76Å | ||
| 132 | S | 33.3 | Very low | 35.9 | Very low | 104 Ų | 104 | 146.9 Ų | 146.9 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | -38 | 124.3 | 171.4 | 48.8 | 0 | 0 | 0 | 0 | 112.6 | Q134 | S132-Q134 PolarHBondContact O-N 3.29Š| ||
| 133 | L | 34.2 | Very low | 36.5 | Very low | 166 Ų | 166 | 139.8 Ų | 139.8 | 87% | 0.869 | 76% | 0.76 | S | S | * | * | trans | -57.6 | 101.5 | 168 | -87.3 | 103.4 | 0 | 0 | 0 | 110 | V131 | V131-L133 PolarHBondContact O-N 2.76Š| ||
| 134 | Q | 30.6 | Very low | 37.1 | Very low | 183 Ų | 183 | 138.8 Ų | 138.8 | 86% | 0.855 | 76% | 0.759 | S | S | * | * | trans | -99.6 | 89.7 | 142.9 | -85.4 | -179.1 | -14.7 | 0 | 0 | 107.1 | S132 Q136 | S132-Q134 PolarHBondContact O-N 3.29Å; Q134-Q136 PolarHBondContact O-N 2.08Å | ||
| 135 | S | 30.3 | Very low | 37.5 | Very low | 79 Ų | 79 | 135.8 Ų | 135.8 | 55% | 0.552 | 74% | 0.738 | S | S | * | * | trans | -51.1 | 102.7 | 161.1 | 169.4 | 0 | 0 | 0 | 0 | 109.1 | Y137 | S135-Y137 PolarHBondContact O-N 3.4Å; S135-Y137 VanDerWaalsContact O-N 3.13Å; S135-Y137 WeakPolarHBondContact OG-CB 3.44Å; S135-Y137 WeakPolarHBondContact OG-CD2 3.23Å; S135-Y137 PolarHBondContact OG-N 3.4Å | ||
| 136 | Q | 29.1 | Very low | 38.8 | Very low | 195 Ų | 195 | 128.7 Ų | 128.7 | 91% | 0.911 | 70% | 0.701 | S | S | * | * | trans | -76.8 | 40.5 | 158.6 | -81.9 | -173.6 | -34.7 | 0 | 0 | 110.4 | Q134 G138 | Q134-Q136 PolarHBondContact O-N 2.08Å; Q136-G138 PolarHBondContact O-N 3.05Å | ||
| 137 | Y | 35.8 | Very low | 41 | Very low | 199 Ų | 199 | 117.5 Ų | 117.5 | 78% | 0.78 | 66% | 0.66 | S | S | * | * | trans | -76.2 | 88.4 | 157.8 | -83.2 | -99.5 | 0 | 0 | 0 | 107.3 | S135 | S135-Y137 PolarHBondContact O-N 3.4Å; S135-Y137 VanDerWaalsContact O-N 3.13Å; S135-Y137 WeakPolarHBondContact OG-CB 3.44Å; S135-Y137 WeakPolarHBondContact OG-CD2 3.23Å; S135-Y137 PolarHBondContact OG-N 3.4Å | ||
| 138 | G | 28.1 | Very low | 43.7 | Very low | 57 Ų | 57 | 108.6 Ų | 108.6 | 59% | 0.588 | 62% | 0.616 | S | S | * | * | trans | -56.1 | 134 | 158.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | Q136 T140 | Q136-G138 PolarHBondContact O-N 3.05Å; G138-T140 PolarHBondContact O-N 2.82Å | ||
| 139 | P | 34.7 | Very low | 46.5 | Very low | 111 Ų | 111 | 100.8 Ų | 100.8 | 72% | 0.721 | 57% | 0.574 | S | S | * | * | trans | -53.8 | 136.7 | 178 | 25 | -32.3 | 0 | 0 | 0 | 107.1 | S141 | P139-S141 PolarHBondContact O-N 3.15Š| ||
| 140 | T | 39 | Very low | 49.3 | Very low | 104 Ų | 104 | 93.5 Ų | 93.5 | 64% | 0.638 | 54% | 0.536 | S | S | * | . | trans | -46.8 | 102.2 | 161.4 | 49.5 | 0 | 0 | 0 | 0 | 105.4 | G138 R142 | G138-T140 PolarHBondContact O-N 2.82Å; T140-R142 PolarHBondContact O-N 2.87Å | ||
| 141 | S | 36 | Very low | 52.3 | Low | 98 Ų | 98 | 88 Ų | 88 | 69% | 0.685 | 50% | 0.5 | S | S | * | . | trans | -58.5 | 102.6 | 174.8 | -80.6 | 0 | 0 | 0 | 0 | 103.4 | P139 L143 | P139-S141 PolarHBondContact O-N 3.15Å; S141-L143 PolarHBondContact O-N 3.23Å | ||
| 142 | R | 47 | Very low | 55.1 | Low | 230 Ų | 230 | 84.6 Ų | 84.6 | 87% | 0.868 | 48% | 0.478 | S | S | * | . | trans | -57.8 | 95 | 163.1 | -64.1 | -170.6 | -161.5 | -178.6 | 5.6 | 102.2 | T140 A144 | T140-R142 PolarHBondContact O-N 2.87Å; R142-A144 PolarHBondContact O-N 3.32Å | ||
| 143 | L | 54.8 | Low | 58.2 | Low | 47 Ų | 47 | 79.9 Ų | 79.9 | 25% | 0.246 | 45% | 0.445 | C | S | . | . | trans | -57.2 | 99.5 | 174.2 | -77 | 162.7 | 0 | 0 | 0 | 103.4 | S141 G145 T195 T211 V276 | S141-L143 PolarHBondContact O-N 3.23Å; L143-G145 PolarHBondContact O-N 3.09Å; L143-T195 HydrophobicContact CD1-CG2 4.24Å; L143-T211 HydrophobicContact CD1-CG2 4.46Å; L143-V276 HydrophobicContact CD1-CB 4.35Å; L143-V276 HydrophobicContact CD1-CG1 3.93Å; L143-V276 HydrophobicContact CD1-CG2 4.4Å | ||
| 144 | A | 44 | Very low | 61.2 | Low | 89 Ų | 89 | 75.6 Ų | 75.6 | 74% | 0.736 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | 105.4 | -167.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | R142 | R142-A144 PolarHBondContact O-N 3.32Š|
| 145 | G | 50.4 | Low | 64.4 | Low | 37 Ų | 37 | 66.9 Ų | 66.9 | 38% | 0.381 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.3 | 24.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | L143 | L143-G145 PolarHBondContact O-N 3.09Š|
| 146 | G | 63.1 | Low | 67.5 | Low | 7 Ų | 7 | 64.4 Ų | 64.4 | 7% | 0.072 | 36% | 0.36 | C | S | . | . | trans | -165.2 | 131.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | C148 S297 | G146-C148 PolarHBondContact O-SG 3.16Å; G146-C148 VanDerWaalsContact O-SG 3.33Å; G146-S297 WeakPolarHBondContact CA-OG 3.35Å; G146-S297 PolarHBondContact N-OG 3.08Å | ||
| 147 | G | 86 | Confident | 70.7 | Confident | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.01 | 33% | 0.325 | C | S | . | . | trans | -75.4 | 127.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 107.5 | H214 S278 S297 | G147-H214 WeakPolarHBondContact CA-ND1 3.17Å; G147-H214 PolarHBondContact O-ND1 3.13Å; G147-S278 VanDerWaalsContact O-CB 3.27Å; G147-S278 WeakPolarHBondContact O-CB 3.28Å; G147-S278 PolarHBondContact O-OG 3.13Å; G147-S297 PolarHBondContact N-OG 3.22Å | ||
| 148 | C | 94.9 | Very high | 73.3 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 32% | 0.315 | C | S | . | . | trans | -120 | 151.2 | -173.4 | -57.1 | 0 | 0 | 0 | 0 | 111.7 | G146 H188 L210 T211 H214 V276 F277 | G146-C148 PolarHBondContact O-SG 3.16Å; G146-C148 VanDerWaalsContact O-SG 3.33Å; C148-H188 PolarHBondContact SG-ND1 2.71Å; C148-L210 CarbonylContact O-C 3.54Å; C148-L210 VanDerWaalsContact O-CA 3.28Å; C148-L210 WeakPolarHBondContact O-CA 3.49Å; C148-T211 HydrophobicContact CB-CG2 3.75Å; C148-T211 PolarHBondContact N-OG1 2.98Å; C148-T211 PolarHBondContact O-N 3.11Å; C148-T211 PolarHBondContact O-OG1 3.45Å; C148-H214 PolarHBondContact N-ND1 2.85Å; C148-V276 HydrophobicContact CB-CB 3.84Å; C148-V276 HydrophobicContact CB-CG1 4.3Å; C148-F277 CarbonylContact C-O 3.53Å; C148-F277 WeakPolarHBondContact CA-O 3.27Å | ||
| 149 | F | 96.4 | Very high | 76.3 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 153.3 | 166.4 | -57 | -76.4 | 0 | 0 | 0 | 109.8 | M153 M164 L208 L210 H214 F277 L286 V288 V293 | F149-M153 HydrophobicContact CB-CB 4.13Å; F149-M153 HydrophobicContact CB-CG 4Å; F149-M153 HydrophobicContact CD1-CG 4.45Å; F149-M164 HydrophobicContact CB-CE 3.75Å; F149-M164 HydrophobicContact CB-CG 4.2Å; F149-M164 HydrophobicContact CD1-CE 4.41Å; F149-M164 HydrophobicContact CD2-CE 3.62Å; F149-M164 HydrophobicContact CD2-SD 4.4Å; F149-M164 HydrophobicContact CE2-CE 4.3Å; F149-M164 HydrophobicContact CG-CE 3.67Å; F149-L208 HydrophobicContact CE1-CD1 4.41Å; F149-L210 HydrophobicContact CD1-CB 4.28Å; F149-H214 AromaticContact CD2-CE1 3.89Å; F149-H214 AromaticContact CE1-CE1 3.55Å; F149-H214 AromaticContact CE1-NE2 3.68Å; F149-H214 AromaticContact CE2-CE1 3.3Å; F149-H214 WeakPolarHBondContact CE2-CE1 3.13Å; F149-H214 AromaticContact CE2-NE2 3.82Å; F149-H214 AromaticContact CZ-CE1 3.09Å; F149-H214 WeakPolarHBondContact CZ-CE1 3.42Å; F149-H214 AromaticContact CZ-NE2 3.19Å; F149-H214 WeakPolarHBondContact CZ-NE2 3.38Å; F149-F277 PolarHBondContact N-O 3.37Å; F149-F277 PolarHBondContact O-N 2.98Å; F149-L286 HydrophobicContact CE2-CD2 4.07Å; F149-V288 HydrophobicContact CD1-CG1 4.2Å; F149-V288 HydrophobicContact CD1-CG2 4.37Å; F149-V288 HydrophobicContact CE1-CB 4.3Å; F149-V288 HydrophobicContact CE1-CG1 4.34Å; F149-V288 HydrophobicContact CE1-CG2 3.89Å; F149-V288 HydrophobicContact CE2-CG2 4.23Å; F149-V288 HydrophobicContact CZ-CG2 3.81Å; F149-V293 HydrophobicContact CE1-CG2 4Å; F149-V293 HydrophobicContact CZ-CB 4.43Å; F149-V293 HydrophobicContact CZ-CG2 3.62Å |
| 150 | S | 96.6 | Very high | 79.1 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 161.6 | 170.9 | 61.1 | 0 | 0 | 0 | 0 | 111.7 | D152 M153 T209 | S150-D152 WeakPolarHBondContact CB-OD1 3.48Å; S150-D152 PolarHBondContact O-N 3.33Å; S150-D152 VanDerWaalsContact O-N 3.13Å; S150-D152 PolarHBondContact OG-OD1 2.8Å; S150-M153 PolarHBondContact O-N 3.06Å; S150-T209 PolarHBondContact N-O 3.03Å; S150-T209 VanDerWaalsContact OG-CB 3.3Å; S150-T209 WeakPolarHBondContact OG-CB 3.37Å; S150-T209 VanDerWaalsContact OG-CG2 3.29Å; S150-T209 WeakPolarHBondContact OG-CG2 3.49Å |
| 151 | S | 97 | Very high | 81.9 | Confident | 15 Ų | 15 | 55.5 Ų | 55.5 | 11% | 0.105 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -30.2 | -177.3 | -56.4 | 0 | 0 | 0 | 0 | 115 | R163 M164 R274 G275 F277 | S151-R163 PolarHBondContact O-NH2 3.29Å; S151-M164 PolarHBondContact O-N 2.71Å; S151-R274 PolarHBondContact OG-O 2.95Å; S151-G275 WeakPolarHBondContact OG-CA 3.39Å; S151-F277 WeakPolarHBondContact OG-CE2 3.37Å |
| 152 | D | 96.2 | Very high | 84.8 | Confident | 55 Ų | 55 | 52 Ų | 52 | 29% | 0.294 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -14.5 | -173.5 | 57.8 | -41.8 | 0 | 0 | 0 | 114.4 | S150 K273 | S150-D152 WeakPolarHBondContact CB-OD1 3.48Å; S150-D152 PolarHBondContact O-N 3.33Å; S150-D152 VanDerWaalsContact O-N 3.13Å; S150-D152 PolarHBondContact OG-OD1 2.8Å; D152-K273 IonicContact OD1-NZ 2.74Å; D152-K273 IonicContact OD2-NZ 3.74Å; D152-K273 PolarHBondContact OD2-NZ 2.85Å |
| 153 | M | 97.5 | Very high | 87.2 | Confident | 5 Ų | 5 | 44.8 Ų | 44.8 | 3% | 0.025 | 25% | 0.249 | C | C | . | . | trans | -60 | 144.4 | 173.6 | -67 | -54.4 | 92 | 0 | 0 | 111.4 | F149 S150 R163 M164 T209 V288 N289 | F149-M153 HydrophobicContact CB-CB 4.13Å; F149-M153 HydrophobicContact CB-CG 4Å; F149-M153 HydrophobicContact CD1-CG 4.45Å; S150-M153 PolarHBondContact O-N 3.06Å; M153-R163 CarbonylContact O-C 3.59Å; M153-R163 VanDerWaalsContact O-CA 3.32Å; M153-R163 WeakPolarHBondContact O-CA 3.47Å; M153-M164 HydrophobicContact CB-CB 4.45Å; M153-M164 HydrophobicContact CB-CE 3.87Å; M153-M164 PolarHBondContact O-N 2.95Å; M153-T209 WeakPolarHBondContact CG-O 3.5Å; M153-T209 PolarHBondContact SD-N 3.4Å; M153-V288 HydrophobicContact CB-CG1 3.64Å; M153-V288 HydrophobicContact CG-CG1 4.13Å; M153-V288 HydrophobicContact SD-CG1 4.31Å; M153-N289 WeakPolarHBondContact CE-ND2 3.44Å; M153-N289 PolarHBondContact SD-ND2 3.31Å; M153-N289 VanDerWaalsContact SD-ND2 3.35Å | ||
| 154 | Q | 97.7 | Very high | 89.2 | Confident | 76 Ų | 76 | 42.6 Ų | 42.6 | 36% | 0.355 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 143.7 | -175 | -54.9 | -173.8 | 10.4 | 0 | 0 | 111.8 | Y161 K162 R163 V288 N289 | Q154-Y161 HydrophobicContact CB-CD1 4.39Å; Q154-K162 CarbonylContact C-O 3.56Å; Q154-K162 VanDerWaalsContact CA-O 3.26Å; Q154-K162 WeakPolarHBondContact CA-O 3.5Å; Q154-R163 HydrophobicContact CG-CG 4Å; Q154-V288 CarbonylContact O-C 3.6Å; Q154-V288 VanDerWaalsContact O-CA 3.3Å; Q154-V288 WeakPolarHBondContact O-CA 3.4Å; Q154-N289 WeakPolarHBondContact CB-OD1 3.25Å; Q154-N289 PolarHBondContact N-OD1 3.5Å; Q154-N289 PolarHBondContact O-N 2.89Å; Q154-N289 PolarHBondContact O-OD1 3.4Å |
| 155 | V | 97.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 146.6 | 172.6 | -68 | 0 | 0 | 0 | 0 | 110 | L157 Y161 K162 M164 L167 V173 L286 V288 | V155-L157 HydrophobicContact CG2-CD1 3.73Å; V155-Y161 CarbonylContact O-C 3.57Å; V155-Y161 VanDerWaalsContact O-CA 3.31Å; V155-Y161 WeakPolarHBondContact O-CA 3.39Å; V155-K162 HydrophobicContact CG2-CB 4.36Å; V155-K162 PolarHBondContact N-O 2.99Å; V155-K162 PolarHBondContact O-N 2.9Å; V155-M164 HydrophobicContact CG1-CE 3.91Å; V155-M164 HydrophobicContact CG1-SD 4.13Å; V155-L167 HydrophobicContact CG2-CD1 3.68Å; V155-L167 HydrophobicContact CG2-CD2 4.05Å; V155-L167 HydrophobicContact CG2-CG 4.41Å; V155-V173 HydrophobicContact CB-CB 4.49Å; V155-V173 HydrophobicContact CB-CG1 4.11Å; V155-V173 HydrophobicContact CG2-CG1 3.83Å; V155-L286 HydrophobicContact CG1-CD1 4Å; V155-L286 HydrophobicContact CG1-CD2 3.78Å; V155-L286 HydrophobicContact CG1-CG 3.97Å; V155-V288 HydrophobicContact CG1-CG2 4.13Å |
| 156 | N | 95.8 | Very high | 94 | Very high | 27 Ų | 27 | 43.2 Ų | 43.2 | 14% | 0.144 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 124.9 | 176.2 | -168.5 | -18.3 | 0 | 0 | 0 | 110.2 | G158 Y161 V173 L174 | N156-G158 WeakPolarHBondContact OD1-CA 3.28Å; N156-G158 PolarHBondContact OD1-N 2.82Å; N156-Y161 HydrophobicContact CB-CD1 4.03Å; N156-Y161 HydrophobicContact CB-CE1 3.58Å; N156-Y161 PolarHBondContact ND2-OH 2.86Å; N156-V173 CarbonylContact O-C 3.53Å; N156-V173 WeakPolarHBondContact O-CA 3.29Å; N156-L174 HydrophobicContact CB-CB 4.11Å; N156-L174 HydrophobicContact CB-CD2 4.4Å; N156-L174 PolarHBondContact O-N 2.93Å |
| 157 | L | 95.9 | Very high | 95.6 | Very high | 34 Ų | 34 | 42.9 Ų | 42.9 | 18% | 0.178 | 21% | 0.213 | C | C | . | . | trans | -99 | 15.6 | 176.1 | -79.1 | 65.7 | 0 | 0 | 0 | 112.2 | V155 N159 R160 K162 D171 H172 V173 | V155-L157 HydrophobicContact CG2-CD1 3.73Å; L157-N159 VanDerWaalsContact C-N 3.35Å; L157-N159 PolarHBondContact O-N 2.91Å; L157-R160 HydrophobicContact CB-CG 4.15Å; L157-R160 PolarHBondContact N-O 2.86Å; L157-K162 HydrophobicContact CD1-CB 3.66Å; L157-K162 HydrophobicContact CD2-CB 4.37Å; L157-K162 HydrophobicContact CD2-CD 4.07Å; L157-D171 HydrophobicContact CD2-CB 4.27Å; L157-H172 WeakPolarHBondContact CA-O 3.43Å; L157-H172 WeakPolarHBondContact CG-O 3.28Å; L157-V173 HydrophobicContact CD1-CG1 4.07Å; L157-V173 HydrophobicContact CG-CG1 4.44Å | ||
| 158 | G | 91.7 | Very high | 96 | Very high | 56 Ų | 56 | 46.2 Ų | 46.2 | 58% | 0.577 | 23% | 0.231 | S | C | * | . | S | Bend | trans | 92.2 | -46.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | N156 | N156-G158 WeakPolarHBondContact OD1-CA 3.28Å; N156-G158 PolarHBondContact OD1-N 2.82Å |
| 159 | N | 89.7 | Confident | 96.1 | Very high | 144 Ų | 144 | 51 Ų | 51 | 77% | 0.77 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -112 | -10.4 | 180 | 67.6 | -15 | 0 | 0 | 0 | 114.3 | L157 | L157-N159 VanDerWaalsContact C-N 3.35Å; L157-N159 PolarHBondContact O-N 2.91Å |
| 160 | R | 95 | Very high | 96 | Very high | 144 Ų | 144 | 52.6 Ų | 52.6 | 54% | 0.543 | 27% | 0.273 | S | S | . | . | trans | -156.7 | 159.4 | -176.1 | 67.8 | -174.2 | -72 | -177.2 | -0.5 | 110.3 | L157 | L157-R160 HydrophobicContact CB-CG 4.15Å; L157-R160 PolarHBondContact N-O 2.86Å | ||
| 161 | Y | 96.7 | Very high | 96 | Very high | 101 Ų | 101 | 54.2 Ų | 54.2 | 40% | 0.396 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 151.4 | 166.7 | -67.4 | -89.9 | 0 | 0 | 0 | 110.8 | Q154 V155 N156 D290 | Q154-Y161 HydrophobicContact CB-CD1 4.39Å; V155-Y161 CarbonylContact O-C 3.57Å; V155-Y161 VanDerWaalsContact O-CA 3.31Å; V155-Y161 WeakPolarHBondContact O-CA 3.39Å; N156-Y161 HydrophobicContact CB-CD1 4.03Å; N156-Y161 HydrophobicContact CB-CE1 3.58Å; N156-Y161 PolarHBondContact ND2-OH 2.86Å; Y161-D290 PolarHBondContact OH-OD1 2.9Å; Y161-D290 VanDerWaalsContact OH-OD1 3.09Å |
| 162 | K | 97.6 | Very high | 96.1 | Very high | 25 Ų | 25 | 58.5 Ų | 58.5 | 11% | 0.109 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 133.7 | 174.1 | -159.1 | 175.4 | -157.5 | -157.6 | 0 | 109.1 | Q154 V155 L157 Q166 L167 N168 D171 | Q154-K162 CarbonylContact C-O 3.56Å; Q154-K162 VanDerWaalsContact CA-O 3.26Å; Q154-K162 WeakPolarHBondContact CA-O 3.5Å; V155-K162 HydrophobicContact CG2-CB 4.36Å; V155-K162 PolarHBondContact N-O 2.99Å; V155-K162 PolarHBondContact O-N 2.9Å; L157-K162 HydrophobicContact CD1-CB 3.66Å; L157-K162 HydrophobicContact CD2-CB 4.37Å; L157-K162 HydrophobicContact CD2-CD 4.07Å; K162-Q166 HydrophobicContact CD-CB 4.28Å; K162-Q166 WeakPolarHBondContact CE-O 3.41Å; K162-Q166 HydrophobicContact CG-CB 3.67Å; K162-Q166 PolarHBondContact NZ-O 3.33Å; K162-L167 HydrophobicContact CD-CD1 4.38Å; K162-N168 PolarHBondContact NZ-ND2 3.27Å; K162-D171 IonicContact NZ-OD1 2.85Å; K162-D171 IonicContact NZ-OD2 2.74Å; K162-D171 PolarHBondContact NZ-OD2 3.07Å |
| 163 | R | 97.7 | Very high | 96.1 | Very high | 78 Ų | 78 | 55.9 Ų | 55.9 | 29% | 0.294 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 153.7 | 174.2 | -71 | 176.7 | 62.7 | -120.7 | -14.7 | 110.5 | S151 M153 Q154 D165 Q166 L167 | S151-R163 PolarHBondContact O-NH2 3.29Å; M153-R163 CarbonylContact O-C 3.59Å; M153-R163 VanDerWaalsContact O-CA 3.32Å; M153-R163 WeakPolarHBondContact O-CA 3.47Å; Q154-R163 HydrophobicContact CG-CG 4Å; R163-D165 WeakPolarHBondContact CB-OD1 3.31Å; R163-D165 IonicContact CZ-OD1 3.83Å; R163-D165 VanDerWaalsContact CZ-OD1 3.3Å; R163-D165 IonicContact CZ-OD2 3.3Å; R163-D165 IonicContact NE-OD1 2.96Å; R163-D165 IonicContact NH1-OD1 3.76Å; R163-D165 PolarHBondContact NH1-OD1 3.39Å; R163-D165 IonicContact NH1-OD2 3.25Å; R163-D165 PolarHBondContact NH1-OD2 2.95Å; R163-D165 VanDerWaalsContact NH2-CG 3.3Å; R163-D165 IonicContact NH2-OD1 2.67Å; R163-D165 PolarHBondContact NH2-OD1 3.16Å; R163-D165 IonicContact NH2-OD2 3.47Å; R163-D165 PolarHBondContact NH2-OD2 3.17Å; R163-D165 PolarHBondContact O-N 3.1Å; R163-Q166 HydrophobicContact CB-CG 4.4Å; R163-Q166 CarbonylContact O-C 3.56Å; R163-Q166 WeakPolarHBondContact O-CA 3.47Å; R163-Q166 WeakPolarHBondContact O-CB 3.41Å; R163-Q166 PolarHBondContact O-N 3.27Å; R163-L167 PolarHBondContact O-N 3.43Å; R163-L167 VanDerWaalsContact O-N 3.1Å |
| 164 | M | 96.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -62.9 | -32.7 | -175.3 | -149.5 | 66.4 | 76.4 | 0 | 0 | 111.9 | F149 S151 M153 V155 Q166 L167 F277 P279 L286 V288 | F149-M164 HydrophobicContact CB-CE 3.75Å; F149-M164 HydrophobicContact CB-CG 4.2Å; F149-M164 HydrophobicContact CD1-CE 4.41Å; F149-M164 HydrophobicContact CD2-CE 3.62Å; F149-M164 HydrophobicContact CD2-SD 4.4Å; F149-M164 HydrophobicContact CE2-CE 4.3Å; F149-M164 HydrophobicContact CG-CE 3.67Å; S151-M164 PolarHBondContact O-N 2.71Å; M153-M164 HydrophobicContact CB-CB 4.45Å; M153-M164 HydrophobicContact CB-CE 3.87Å; M153-M164 PolarHBondContact O-N 2.95Å; V155-M164 HydrophobicContact CG1-CE 3.91Å; V155-M164 HydrophobicContact CG1-SD 4.13Å; M164-Q166 VanDerWaalsContact C-N 3.28Å; M164-Q166 PolarHBondContact O-N 3.36Å; M164-L167 WeakPolarHBondContact O-CB 3.11Å; M164-L167 PolarHBondContact O-N 3.06Å; M164-L167 HydrophobicContact SD-CD2 3.77Å; M164-F277 HydrophobicContact CB-CB 4.15Å; M164-F277 HydrophobicContact CB-CD2 4.35Å; M164-F277 HydrophobicContact CB-CG 4.25Å; M164-F277 HydrophobicContact CG-CB 3.32Å; M164-F277 HydrophobicContact CG-CD2 4.4Å; M164-F277 HydrophobicContact CG-CG 3.91Å; M164-F277 WeakPolarHBondContact O-CD1 3.11Å; M164-P279 HydrophobicContact SD-CG 3.76Å; M164-L286 HydrophobicContact CE-CD2 4.4Å; M164-V288 HydrophobicContact CE-CG1 3.94Å; M164-V288 HydrophobicContact CE-CG2 3.91Å |
| 165 | D | 96.6 | Very high | 95.9 | Very high | 45 Ų | 45 | 53.1 Ų | 53.1 | 24% | 0.241 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -68.8 | -24.6 | 174.4 | 64 | -9.3 | 0 | 0 | 0 | 114.2 | R163 R189 F277 | R163-D165 WeakPolarHBondContact CB-OD1 3.31Å; R163-D165 IonicContact CZ-OD1 3.83Å; R163-D165 VanDerWaalsContact CZ-OD1 3.3Å; R163-D165 IonicContact CZ-OD2 3.3Å; R163-D165 IonicContact NE-OD1 2.96Å; R163-D165 IonicContact NH1-OD1 3.76Å; R163-D165 PolarHBondContact NH1-OD1 3.39Å; R163-D165 IonicContact NH1-OD2 3.25Å; R163-D165 PolarHBondContact NH1-OD2 2.95Å; R163-D165 VanDerWaalsContact NH2-CG 3.3Å; R163-D165 IonicContact NH2-OD1 2.67Å; R163-D165 PolarHBondContact NH2-OD1 3.16Å; R163-D165 IonicContact NH2-OD2 3.47Å; R163-D165 PolarHBondContact NH2-OD2 3.17Å; R163-D165 PolarHBondContact O-N 3.1Å; D165-R189 PolarHBondContact O-NH2 2.8Å; D165-F277 VanDerWaalsContact CA-CZ 3.48Å; D165-F277 HydrophobicContact CB-CE1 4.24Å; D165-F277 HydrophobicContact CB-CE2 3.95Å; D165-F277 HydrophobicContact CB-CZ 3.6Å |
| 166 | Q | 97.3 | Very high | 95.7 | Very high | 94 Ų | 94 | 54.7 Ų | 54.7 | 44% | 0.439 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -90.8 | -14.7 | 177.3 | -66.9 | 168.1 | -10.2 | 0 | 0 | 112.6 | K162 R163 M164 | K162-Q166 HydrophobicContact CD-CB 4.28Å; K162-Q166 WeakPolarHBondContact CE-O 3.41Å; K162-Q166 HydrophobicContact CG-CB 3.67Å; K162-Q166 PolarHBondContact NZ-O 3.33Å; R163-Q166 HydrophobicContact CB-CG 4.4Å; R163-Q166 CarbonylContact O-C 3.56Å; R163-Q166 WeakPolarHBondContact O-CA 3.47Å; R163-Q166 WeakPolarHBondContact O-CB 3.41Å; R163-Q166 PolarHBondContact O-N 3.27Å; M164-Q166 VanDerWaalsContact C-N 3.28Å; M164-Q166 PolarHBondContact O-N 3.36Å |
| 167 | L | 96.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | trans | -64.3 | 132.7 | -176.4 | -168.2 | 60.2 | 0 | 0 | 0 | 112.1 | V155 K162 R163 M164 D171 V173 V183 M186 R189 P279 | V155-L167 HydrophobicContact CG2-CD1 3.68Å; V155-L167 HydrophobicContact CG2-CD2 4.05Å; V155-L167 HydrophobicContact CG2-CG 4.41Å; K162-L167 HydrophobicContact CD-CD1 4.38Å; R163-L167 PolarHBondContact O-N 3.43Å; R163-L167 VanDerWaalsContact O-N 3.1Å; M164-L167 WeakPolarHBondContact O-CB 3.11Å; M164-L167 PolarHBondContact O-N 3.06Å; M164-L167 HydrophobicContact SD-CD2 3.77Å; L167-D171 HydrophobicContact CD1-CB 3.87Å; L167-V173 HydrophobicContact CD1-CG1 3.86Å; L167-V183 HydrophobicContact CD1-CG2 4.19Å; L167-V183 HydrophobicContact CD2-CG2 4.1Å; L167-V183 HydrophobicContact CG-CG2 4.25Å; L167-M186 HydrophobicContact CB-CE 4.46Å; L167-M186 HydrophobicContact CD2-CE 4.31Å; L167-M186 HydrophobicContact CG-CE 4.38Å; L167-R189 PolarHBondContact O-NH2 3.19Å; L167-P279 HydrophobicContact CD2-CB 3.8Å; L167-P279 HydrophobicContact CD2-CG 3.92Å | ||
| 168 | N | 95.9 | Very high | 95 | Very high | 71 Ų | 71 | 62.9 Ų | 62.9 | 38% | 0.38 | 31% | 0.314 | S | S | . | . | trans | -118.6 | 152.9 | -179.6 | -66 | -42.3 | 0 | 0 | 0 | 111.2 | K162 G170 D171 | K162-N168 PolarHBondContact NZ-ND2 3.27Å; N168-G170 PolarHBondContact O-N 2.6Å; N168-D171 PolarHBondContact N-OD2 2.95Å; N168-D171 WeakPolarHBondContact O-CB 3.44Å; N168-D171 PolarHBondContact O-N 2.9Å | ||
| 169 | L | 95.5 | Very high | 95.1 | Very high | 102 Ų | 102 | 64.2 Ų | 64.2 | 53% | 0.534 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | 137.4 | 167.3 | -56.5 | -175.9 | 0 | 0 | 0 | 109.3 | V183 M186 | L169-V183 HydrophobicContact CD2-CG1 4.03Å; L169-M186 HydrophobicContact CD2-CB 4.06Å |
| 170 | G | 95.5 | Very high | 95.4 | Very high | 33 Ų | 33 | 60.6 Ų | 60.6 | 34% | 0.34 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.3 | -17.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115 | N168 H172 M182 V183 | N168-G170 PolarHBondContact O-N 2.6Å; G170-H172 PolarHBondContact O-N 3.04Å; G170-H172 PolarHBondContact O-ND1 3.08Å; G170-M182 VanDerWaalsContact CA-CG 3.46Å; G170-V183 PolarHBondContact N-O 2.74Å; G170-V183 VanDerWaalsContact N-O 3.08Å |
| 171 | D | 97.2 | Very high | 95.4 | Very high | 33 Ų | 33 | 55 Ų | 55 | 18% | 0.176 | 26% | 0.264 | C | S | . | . | trans | -63.1 | 137.5 | 172.8 | -71.8 | -21.1 | 0 | 0 | 0 | 109.4 | L157 K162 L167 N168 M182 V183 | L157-D171 HydrophobicContact CD2-CB 4.27Å; K162-D171 IonicContact NZ-OD1 2.85Å; K162-D171 IonicContact NZ-OD2 2.74Å; K162-D171 PolarHBondContact NZ-OD2 3.07Å; L167-D171 HydrophobicContact CD1-CB 3.87Å; N168-D171 PolarHBondContact N-OD2 2.95Å; N168-D171 WeakPolarHBondContact O-CB 3.44Å; N168-D171 PolarHBondContact O-N 2.9Å; D171-M182 CarbonylContact O-C 3.51Å; D171-M182 WeakPolarHBondContact O-CA 3.1Å; D171-V183 PolarHBondContact O-N 3.42Å | ||
| 172 | H | 97.4 | Very high | 95.3 | Very high | 105 Ų | 105 | 53.8 Ų | 53.8 | 49% | 0.486 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 118.2 | 175 | -71.8 | 60 | 0 | 0 | 0 | 109.1 | L157 G170 M180 Q181 | L157-H172 WeakPolarHBondContact CA-O 3.43Å; L157-H172 WeakPolarHBondContact CG-O 3.28Å; G170-H172 PolarHBondContact O-N 3.04Å; G170-H172 PolarHBondContact O-ND1 3.08Å; H172-M180 WeakPolarHBondContact O-CE 3.28Å; H172-Q181 CarbonylContact C-O 3.56Å; H172-Q181 VanDerWaalsContact CA-O 3.3Å; H172-Q181 WeakPolarHBondContact CA-O 2.97Å |
| 173 | V | 97.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 151.8 | -174.9 | -64.4 | 0 | 0 | 0 | 0 | 110.6 | V155 N156 L157 L167 V175 M180 Q181 V183 T281 L286 | V155-V173 HydrophobicContact CB-CB 4.49Å; V155-V173 HydrophobicContact CB-CG1 4.11Å; V155-V173 HydrophobicContact CG2-CG1 3.83Å; N156-V173 CarbonylContact O-C 3.53Å; N156-V173 WeakPolarHBondContact O-CA 3.29Å; L157-V173 HydrophobicContact CD1-CG1 4.07Å; L157-V173 HydrophobicContact CG-CG1 4.44Å; L167-V173 HydrophobicContact CD1-CG1 3.86Å; V173-V175 HydrophobicContact CG2-CG1 4.16Å; V173-V175 PolarHBondContact O-N 3.14Å; V173-M180 CarbonylContact O-C 3.55Å; V173-M180 WeakPolarHBondContact O-CA 3.3Å; V173-Q181 WeakPolarHBondContact CG2-O 3.43Å; V173-Q181 PolarHBondContact N-O 3.47Å; V173-Q181 PolarHBondContact O-N 3.24Å; V173-V183 HydrophobicContact CB-CG2 4.48Å; V173-V183 HydrophobicContact CG1-CG2 3.82Å; V173-V183 HydrophobicContact CG2-CG2 3.78Å; V173-T281 HydrophobicContact CG2-CG2 3.85Å; V173-L286 HydrophobicContact CB-CD1 3.86Å; V173-L286 HydrophobicContact CG2-CD1 3.36Å |
| 174 | L | 96.1 | Very high | 94.9 | Very high | 24 Ų | 24 | 49.9 Ų | 49.9 | 13% | 0.126 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 126 | 174 | -166 | 70.9 | 0 | 0 | 0 | 109.1 | N156 D176 M180 L254 V287 | N156-L174 HydrophobicContact CB-CB 4.11Å; N156-L174 HydrophobicContact CB-CD2 4.4Å; N156-L174 PolarHBondContact O-N 2.93Å; L174-D176 WeakPolarHBondContact CD1-O 3.41Å; L174-D176 VanDerWaalsContact CG-O 3.28Å; L174-D176 WeakPolarHBondContact CG-O 3.26Å; L174-M180 VanDerWaalsContact CA-SD 3.53Å; L174-M180 HydrophobicContact CB-CE 4.5Å; L174-M180 HydrophobicContact CB-SD 3.8Å; L174-M180 HydrophobicContact CD1-SD 3.52Å; L174-M180 VanDerWaalsContact CD1-SD 3.52Å; L174-M180 HydrophobicContact CG-SD 4.28Å; L174-L254 HydrophobicContact CD2-CD1 3.77Å; L174-L254 HydrophobicContact CG-CD1 4.34Å; L174-V287 HydrophobicContact CB-CB 4.19Å; L174-V287 HydrophobicContact CB-CG2 4.31Å; L174-V287 HydrophobicContact CD2-CB 4.18Å; L174-V287 HydrophobicContact CD2-CG1 4.18Å; L174-V287 HydrophobicContact CD2-CG2 4.13Å; L174-V287 HydrophobicContact CG-CB 4.27Å; L174-V287 HydrophobicContact CG-CG2 3.98Å; L174-V287 WeakPolarHBondContact O-CB 3.45Å; L174-V287 PolarHBondContact O-N 3.34Å |
| 175 | V | 94.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | -8.4 | -178 | -63.2 | 0 | 0 | 0 | 0 | 113.1 | V173 K179 Q181 T281 Q283 T285 F292 | V173-V175 HydrophobicContact CG2-CG1 4.16Å; V173-V175 PolarHBondContact O-N 3.14Å; V175-K179 HydrophobicContact CG2-CB 4.12Å; V175-K179 HydrophobicContact CG2-CD 4.45Å; V175-K179 HydrophobicContact CG2-CG 4.09Å; V175-K179 VanDerWaalsContact CG2-O 3.29Å; V175-K179 WeakPolarHBondContact CG2-O 3.46Å; V175-K179 PolarHBondContact N-O 2.03Å; V175-Q181 HydrophobicContact CG1-CB 3.93Å; V175-Q181 HydrophobicContact CG1-CG 4.5Å; V175-Q181 HydrophobicContact CG2-CB 4Å; V175-Q181 HydrophobicContact CG2-CG 3.68Å; V175-T281 HydrophobicContact CG1-CG2 3.66Å; V175-Q283 HydrophobicContact CG2-CB 4.45Å; V175-T285 VanDerWaalsContact CG1-O 3.25Å; V175-T285 WeakPolarHBondContact CG1-O 3.28Å; V175-T285 PolarHBondContact O-OG1 2.82Å; V175-F292 VanDerWaalsContact O-CE2 3.29Å; V175-F292 WeakPolarHBondContact O-CE2 3.42Å |
| 176 | D | 92.1 | Very high | 94.3 | Very high | 33 Ų | 33 | 50.8 Ų | 50.8 | 18% | 0.176 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.8 | 172.1 | -178.8 | -155.2 | -32.9 | 0 | 0 | 0 | 107.9 | L174 Y178 K179 L231 Q283 | L174-D176 WeakPolarHBondContact CD1-O 3.41Å; L174-D176 VanDerWaalsContact CG-O 3.28Å; L174-D176 WeakPolarHBondContact CG-O 3.26Å; D176-Y178 PolarHBondContact O-N 3.48Å; D176-Y178 VanDerWaalsContact O-N 3.08Å; D176-K179 HydrophobicContact CB-CB 3.72Å; D176-K179 PolarHBondContact O-N 2.93Å; D176-L231 WeakPolarHBondContact OD1-CD1 3.46Å; D176-Q283 PolarHBondContact OD2-NE2 3.47Å |
| 177 | A | 89.3 | Confident | 93.9 | Very high | 22 Ų | 22 | 48.2 Ų | 48.2 | 18% | 0.182 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.2 | -39.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | L254 V260 | A177-L254 HydrophobicContact CB-CD2 3.85Å; A177-V260 HydrophobicContact CB-CG2 3.6Å |
| 178 | Y | 88.4 | Confident | 93.6 | Very high | 210 Ų | 210 | 49.9 Ų | 49.9 | 82% | 0.824 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.7 | 19.2 | -174.1 | -50.9 | -68.7 | 0 | 0 | 0 | 113.4 | D176 | D176-Y178 PolarHBondContact O-N 3.48Å; D176-Y178 VanDerWaalsContact O-N 3.08Å |
| 179 | K | 93.6 | Very high | 93.4 | Very high | 85 Ų | 85 | 52.9 Ų | 52.9 | 37% | 0.37 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 123.1 | -170.9 | -162.6 | 172 | 174.7 | -157.4 | 0 | 111.6 | V175 D176 | V175-K179 HydrophobicContact CG2-CB 4.12Å; V175-K179 HydrophobicContact CG2-CD 4.45Å; V175-K179 HydrophobicContact CG2-CG 4.09Å; V175-K179 VanDerWaalsContact CG2-O 3.29Å; V175-K179 WeakPolarHBondContact CG2-O 3.46Å; V175-K179 PolarHBondContact N-O 2.03Å; D176-K179 HydrophobicContact CB-CB 3.72Å; D176-K179 PolarHBondContact O-N 2.93Å |
| 180 | M | 95.8 | Very high | 93.4 | Very high | 68 Ų | 68 | 51.5 Ų | 51.5 | 34% | 0.335 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 138.3 | 172.3 | -59 | -60.9 | -67.8 | 0 | 0 | 109.5 | H172 V173 L174 | H172-M180 WeakPolarHBondContact O-CE 3.28Å; V173-M180 CarbonylContact O-C 3.55Å; V173-M180 WeakPolarHBondContact O-CA 3.3Å; L174-M180 VanDerWaalsContact CA-SD 3.53Å; L174-M180 HydrophobicContact CB-CE 4.5Å; L174-M180 HydrophobicContact CB-SD 3.8Å; L174-M180 HydrophobicContact CD1-SD 3.52Å; L174-M180 VanDerWaalsContact CD1-SD 3.52Å; L174-M180 HydrophobicContact CG-SD 4.28Å |
| 181 | Q | 95.4 | Very high | 93.3 | Very high | 27 Ų | 27 | 53.6 Ų | 53.6 | 13% | 0.126 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 153.5 | 173.4 | -71.7 | -170.9 | 28.8 | 0 | 0 | 112.1 | H172 V173 V175 | H172-Q181 CarbonylContact C-O 3.56Å; H172-Q181 VanDerWaalsContact CA-O 3.3Å; H172-Q181 WeakPolarHBondContact CA-O 2.97Å; V173-Q181 WeakPolarHBondContact CG2-O 3.43Å; V173-Q181 PolarHBondContact N-O 3.47Å; V173-Q181 PolarHBondContact O-N 3.24Å; V175-Q181 HydrophobicContact CG1-CB 3.93Å; V175-Q181 HydrophobicContact CG1-CG 4.5Å; V175-Q181 HydrophobicContact CG2-CB 4Å; V175-Q181 HydrophobicContact CG2-CG 3.68Å |
| 182 | M | 95.8 | Very high | 93.1 | Very high | 75 Ų | 75 | 56.5 Ų | 56.5 | 37% | 0.369 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 138.5 | 175.3 | -169 | 179 | 70.5 | 0 | 0 | 111.2 | G170 D171 D184 | G170-M182 VanDerWaalsContact CA-CG 3.46Å; D171-M182 CarbonylContact O-C 3.51Å; D171-M182 WeakPolarHBondContact O-CA 3.1Å; M182-D184 WeakPolarHBondContact CE-OD1 3.27Å; M182-D184 PolarHBondContact O-N 2.97Å |
| 183 | V | 95.6 | Very high | 92.9 | Very high | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 108.3 | 163.6 | -178.2 | 0 | 0 | 0 | 0 | 108.3 | L167 L169 G170 D171 V173 M186 P279 | L167-V183 HydrophobicContact CD1-CG2 4.19Å; L167-V183 HydrophobicContact CD2-CG2 4.1Å; L167-V183 HydrophobicContact CG-CG2 4.25Å; L169-V183 HydrophobicContact CD2-CG1 4.03Å; G170-V183 PolarHBondContact N-O 2.74Å; G170-V183 VanDerWaalsContact N-O 3.08Å; D171-V183 PolarHBondContact O-N 3.42Å; V173-V183 HydrophobicContact CB-CG2 4.48Å; V173-V183 HydrophobicContact CG1-CG2 3.82Å; V173-V183 HydrophobicContact CG2-CG2 3.78Å; V183-M186 HydrophobicContact CG1-CE 4.47Å; V183-P279 HydrophobicContact CG1-CB 3.85Å |
| 184 | D | 90.6 | Very high | 92.7 | Very high | 19 Ų | 19 | 57.5 Ų | 57.5 | 10% | 0.102 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | -42.5 | -172.2 | -78.7 | -47.4 | 0 | 0 | 0 | 112.5 | M182 V280 S282 K313 | M182-D184 WeakPolarHBondContact CE-OD1 3.27Å; M182-D184 PolarHBondContact O-N 2.97Å; D184-V280 PolarHBondContact N-O 2.99Å; D184-S282 WeakPolarHBondContact OD2-CB 3.23Å; D184-S282 PolarHBondContact OD2-N 2.76Å; D184-S282 VanDerWaalsContact OD2-N 3.08Å; D184-S282 PolarHBondContact OD2-OG 2.77Å; D184-K313 IonicContact OD1-NZ 3.08Å; D184-K313 PolarHBondContact OD1-NZ 3.22Å; D184-K313 IonicContact OD2-NZ 3.88Å; D184-K313 PolarHBondContact OD2-NZ 3.5Å |
| 185 | T | 90 | Very high | 92.6 | Very high | 36 Ų | 36 | 57.4 Ų | 57.4 | 22% | 0.221 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 171.6 | 178 | -165.3 | 0 | 0 | 0 | 0 | 110.5 | V280 H309 | T185-V280 HydrophobicContact CG2-CB 3.74Å; T185-V280 HydrophobicContact CG2-CG1 4.4Å; T185-V280 HydrophobicContact CG2-CG2 4.02Å; T185-V280 PolarHBondContact N-O 3.48Å; T185-V280 PolarHBondContact O-N 3.49Å; T185-H309 WeakPolarHBondContact CG2-CE1 3.31Å |
| 186 | M | 90.1 | Very high | 92.6 | Very high | 29 Ų | 29 | 59.2 Ų | 59.2 | 14% | 0.143 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 101.3 | 177.9 | -172.6 | 74.9 | 67.4 | 0 | 0 | 107.1 | L167 L169 V183 H188 R189 F277 S278 P279 | L167-M186 HydrophobicContact CB-CE 4.46Å; L167-M186 HydrophobicContact CD2-CE 4.31Å; L167-M186 HydrophobicContact CG-CE 4.38Å; L169-M186 HydrophobicContact CD2-CB 4.06Å; V183-M186 HydrophobicContact CG1-CE 4.47Å; M186-H188 VanDerWaalsContact C-N 3.33Å; M186-H188 VanDerWaalsContact CG-O 3.29Å; M186-H188 WeakPolarHBondContact CG-O 3.28Å; M186-H188 PolarHBondContact O-N 2.72Å; M186-R189 HydrophobicContact CG-CB 3.77Å; M186-R189 HydrophobicContact CG-CG 4.37Å; M186-F277 HydrophobicContact SD-CB 4.45Å; M186-S278 CarbonylContact C-O 3.56Å; M186-S278 WeakPolarHBondContact CA-O 3.29Å; M186-S278 VanDerWaalsContact SD-C 3.53Å; M186-P279 HydrophobicContact CE-CB 3.78Å; M186-P279 WeakPolarHBondContact SD-CA 3.36Å; M186-P279 HydrophobicContact SD-CB 3.76Å; M186-P279 HydrophobicContact SD-CG 4.34Å |
| 187 | I | 88.4 | Confident | 92.8 | Very high | 39 Ų | 39 | 57.7 Ų | 57.7 | 20% | 0.2 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | -44.7 | -175.4 | -66.7 | 170.8 | 0 | 0 | 0 | 110 | S278 V280 F296 | I187-S278 PolarHBondContact N-O 3.27Å; I187-V280 HydrophobicContact CD1-CG2 3.51Å; I187-V280 HydrophobicContact CG1-CG2 3.69Å; I187-F296 HydrophobicContact CD1-CD1 4.43Å; I187-F296 HydrophobicContact CD1-CE1 4.37Å |
| 188 | H | 90.4 | Very high | 93.1 | Very high | 35 Ų | 35 | 56.9 Ų | 56.9 | 16% | 0.162 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 132.3 | 174.8 | -67.9 | 149.5 | 0 | 0 | 0 | 110.2 | C148 M186 V276 F277 S278 | C148-H188 PolarHBondContact SG-ND1 2.71Å; M186-H188 VanDerWaalsContact C-N 3.33Å; M186-H188 VanDerWaalsContact CG-O 3.29Å; M186-H188 WeakPolarHBondContact CG-O 3.28Å; M186-H188 PolarHBondContact O-N 2.72Å; H188-V276 HydrophobicContact CB-CG2 4.36Å; H188-F277 CarbonylContact O-C 3.57Å; H188-F277 VanDerWaalsContact O-CA 3.27Å; H188-F277 WeakPolarHBondContact O-CA 3.32Å; H188-S278 PolarHBondContact O-N 2.95Å |
| 189 | R | 93.2 | Very high | 93.6 | Very high | 134 Ų | 134 | 47.4 Ų | 47.4 | 51% | 0.506 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 90.6 | 169.2 | -166.6 | -178.3 | -169.8 | 179.4 | 7.3 | 109.8 | D165 L167 M186 F277 | D165-R189 PolarHBondContact O-NH2 2.8Å; L167-R189 PolarHBondContact O-NH2 3.19Å; M186-R189 HydrophobicContact CG-CB 3.77Å; M186-R189 HydrophobicContact CG-CG 4.37Å; R189-F277 HydrophobicContact CG-CD1 3.79Å; R189-F277 HydrophobicContact CG-CE1 3.57Å |
| 190 | N | 94.4 | Very high | 93.8 | Very high | 74 Ų | 74 | 43.4 Ų | 43.4 | 40% | 0.396 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 102.3 | 174.8 | -174.4 | -20.6 | 0 | 0 | 0 | 109.1 | S192 V193 G275 V276 | N190-S192 PolarHBondContact O-N 2.77Å; N190-S192 PolarHBondContact OD1-N 2.8Å; N190-V193 HydrophobicContact CB-CB 4.49Å; N190-V193 HydrophobicContact CB-CG1 4.02Å; N190-V193 PolarHBondContact OD1-N 3.03Å; N190-G275 CarbonylContact O-C 3.43Å; N190-G275 WeakPolarHBondContact O-CA 3.26Å; N190-V276 HydrophobicContact CB-CG2 4.09Å; N190-V276 PolarHBondContact N-O 2.88Å; N190-V276 PolarHBondContact O-N 3.21Å |
| 191 | P | 94.8 | Very high | 94 | Very high | 76 Ų | 76 | 41.4 Ų | 41.4 | 49% | 0.494 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | -15.9 | -179.3 | 28.8 | -34.5 | 0 | 0 | 0 | 113.6 | F277 | P191-F277 HydrophobicContact CB-CZ 4.06Å |
| 192 | S | 93.1 | Very high | 94.1 | Very high | 95 Ų | 95 | 40.4 Ų | 40.4 | 66% | 0.664 | 22% | 0.216 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -96.1 | -20.5 | -170.5 | -57.6 | 0 | 0 | 0 | 0 | 113.8 | N190 | N190-S192 PolarHBondContact O-N 2.77Å; N190-S192 PolarHBondContact OD1-N 2.8Å |
| 193 | V | 92.3 | Very high | 94.2 | Very high | 44 Ų | 44 | 43.5 Ų | 43.5 | 27% | 0.267 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 136.6 | -177.3 | 71.4 | 0 | 0 | 0 | 0 | 111.3 | N190 R274 G275 V276 | N190-V193 HydrophobicContact CB-CB 4.49Å; N190-V193 HydrophobicContact CB-CG1 4.02Å; N190-V193 PolarHBondContact OD1-N 3.03Å; V193-R274 CarbonylContact O-C 3.55Å; V193-R274 WeakPolarHBondContact O-CA 3.27Å; V193-G275 PolarHBondContact O-N 2.88Å; V193-V276 HydrophobicContact CG1-CB 4.09Å; V193-V276 HydrophobicContact CG1-CG1 3.72Å; V193-V276 HydrophobicContact CG1-CG2 3.42Å; V193-V276 VanDerWaalsContact CG1-CG2 3.42Å |
| 194 | E | 94.1 | Very high | 94.2 | Very high | 82 Ų | 82 | 45.9 Ų | 45.9 | 38% | 0.383 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 134.5 | 168.3 | -78.2 | -177.3 | -174.6 | 0 | 0 | 110.1 | R272 K273 R274 | E194-R272 HydrophobicContact CB-CG 4.49Å; E194-R272 IonicContact OE2-NE 3.79Å; E194-K273 WeakPolarHBondContact CA-O 3.19Å; E194-R274 HydrophobicContact CG-CG 3.42Å; E194-R274 VanDerWaalsContact CG-CG 3.42Å; E194-R274 IonicContact OE1-CZ 3.84Å; E194-R274 VanDerWaalsContact OE1-CZ 3.27Å; E194-R274 IonicContact OE1-NH1 3.27Å; E194-R274 PolarHBondContact OE1-NH1 3.11Å; E194-R274 IonicContact OE1-NH2 2.77Å |
| 195 | T | 92 | Very high | 94.4 | Very high | 21 Ų | 21 | 51.5 Ų | 51.5 | 13% | 0.129 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 147 | -176.4 | -62.2 | 0 | 0 | 0 | 0 | 109.8 | L143 F197 T211 R272 K273 V276 | L143-T195 HydrophobicContact CD1-CG2 4.24Å; T195-F197 HydrophobicContact CG2-CE2 4.25Å; T195-F197 HydrophobicContact CG2-CZ 4.33Å; T195-F197 WeakPolarHBondContact O-CD2 3.36Å; T195-F197 WeakPolarHBondContact O-CE2 3.4Å; T195-T211 HydrophobicContact CG2-CG2 4.04Å; T195-R272 WeakPolarHBondContact O-CA 3.49Å; T195-K273 PolarHBondContact N-O 3.44Å; T195-K273 PolarHBondContact O-N 3.09Å; T195-V276 HydrophobicContact CG2-CG1 4.15Å; T195-V276 WeakPolarHBondContact OG1-CG1 3.4Å |
| 196 | D | 95 | Very high | 94.8 | Very high | 38 Ų | 38 | 51.8 Ų | 51.8 | 20% | 0.203 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 125.7 | 172.2 | -58.5 | -44.4 | 0 | 0 | 0 | 109.1 | R272 | D196-R272 WeakPolarHBondContact OD1-CD 3.4Å; D196-R272 WeakPolarHBondContact OD1-CG 3.09Å; D196-R272 IonicContact OD1-CZ 2.76Å; D196-R272 IonicContact OD1-NH1 2.82Å; D196-R272 PolarHBondContact OD1-NH1 3.21Å; D196-R272 IonicContact OD2-NH1 2.95Å; D196-R272 PolarHBondContact OD2-NH1 2.85Å |
| 197 | F | 96.9 | Very high | 95.1 | Very high | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.009 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 152.3 | 178.5 | -66.4 | -92 | 0 | 0 | 0 | 109.9 | T195 T209 L210 T211 R270 V271 K273 G275 V276 | T195-F197 HydrophobicContact CG2-CE2 4.25Å; T195-F197 HydrophobicContact CG2-CZ 4.33Å; T195-F197 WeakPolarHBondContact O-CD2 3.36Å; T195-F197 WeakPolarHBondContact O-CE2 3.4Å; F197-T209 HydrophobicContact CB-CG2 3.46Å; F197-T209 VanDerWaalsContact CB-CG2 3.46Å; F197-T209 HydrophobicContact CD1-CG2 4.06Å; F197-T209 HydrophobicContact CD2-CG2 4.49Å; F197-T209 HydrophobicContact CG-CG2 3.78Å; F197-L210 CarbonylContact C-O 3.58Å; F197-L210 WeakPolarHBondContact CA-O 3.33Å; F197-L210 VanDerWaalsContact CD1-C 3.4Å; F197-T211 HydrophobicContact CD1-CG2 4.3Å; F197-T211 HydrophobicContact CE1-CG2 4.04Å; F197-R270 CarbonylContact O-C 3.58Å; F197-R270 VanDerWaalsContact O-CA 3.31Å; F197-R270 WeakPolarHBondContact O-CA 3.3Å; F197-V271 HydrophobicContact CB-CG1 4.08Å; F197-V271 PolarHBondContact N-O 2.87Å; F197-V271 PolarHBondContact O-N 2.88Å; F197-K273 HydrophobicContact CD2-CB 3.87Å; F197-K273 HydrophobicContact CE2-CB 3.94Å; F197-G275 WeakPolarHBondContact CZ-O 3.38Å; F197-V276 HydrophobicContact CZ-CG1 3.88Å |
| 198 | I | 96.6 | Very high | 95.6 | Very high | 4 Ų | 4 | 50.5 Ų | 50.5 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 138.1 | 161.3 | -62.5 | -177.6 | 0 | 0 | 0 | 107.5 | L200 T209 L210 P212 A242 V268 G269 | I198-L200 HydrophobicContact CG2-CD2 3.61Å; I198-L200 HydrophobicContact CG2-CG 4.18Å; I198-T209 WeakPolarHBondContact O-CA 3.26Å; I198-L210 PolarHBondContact N-O 3.28Å; I198-L210 PolarHBondContact O-N 3.47Å; I198-P212 HydrophobicContact CD1-CB 4Å; I198-P212 HydrophobicContact CD1-CG 4.24Å; I198-P212 HydrophobicContact CG1-CB 4.45Å; I198-P212 HydrophobicContact CG1-CG 4.16Å; I198-A242 HydrophobicContact CD1-CB 4.48Å; I198-V268 HydrophobicContact CG2-CG1 4.02Å; I198-G269 WeakPolarHBondContact CA-O 3.27Å |
| 199 | V | 98 | Very high | 95.9 | Very high | 11 Ų | 11 | 48.9 Ų | 48.9 | 7% | 0.067 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 116.8 | 172.6 | -173.1 | 0 | 0 | 0 | 0 | 108 | L29 S207 L208 T209 G269 V271 | L29-V199 HydrophobicContact CD1-CB 3.95Å; L29-V199 HydrophobicContact CD1-CG1 4.19Å; L29-V199 HydrophobicContact CD1-CG2 4.26Å; V199-S207 WeakPolarHBondContact CG1-OG 3.49Å; V199-L208 WeakPolarHBondContact CA-O 3.08Å; V199-T209 HydrophobicContact CG2-CG2 4.21Å; V199-G269 PolarHBondContact N-O 3.04Å; V199-G269 PolarHBondContact O-N 3.05Å; V199-V271 HydrophobicContact CG2-CB 3.87Å; V199-V271 HydrophobicContact CG2-CG1 3.32Å |
| 200 | L | 98.3 | Very high | 96 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 127.3 | 171.5 | -52.7 | -179.1 | 0 | 0 | 0 | 107.7 | I198 S207 L208 L210 I216 A245 I265 V268 | I198-L200 HydrophobicContact CG2-CD2 3.61Å; I198-L200 HydrophobicContact CG2-CG 4.18Å; L200-S207 CarbonylContact O-C 3.48Å; L200-S207 VanDerWaalsContact O-CA 3.26Å; L200-S207 WeakPolarHBondContact O-CA 3.44Å; L200-S207 PolarHBondContact O-OG 2.58Å; L200-L208 HydrophobicContact CB-CB 4.49Å; L200-L208 PolarHBondContact N-O 3.15Å; L200-L208 PolarHBondContact O-N 3.26Å; L200-L210 HydrophobicContact CD1-CD2 4.45Å; L200-I216 HydrophobicContact CD1-CD1 3.32Å; L200-A245 HydrophobicContact CD1-CB 3.95Å; L200-A245 HydrophobicContact CD2-CB 3.59Å; L200-A245 HydrophobicContact CG-CB 4.46Å; L200-I265 HydrophobicContact CD1-CD1 4.24Å; L200-V268 HydrophobicContact CD2-CB 4.29Å; L200-V268 HydrophobicContact CD2-CG1 3.89Å; L200-V268 HydrophobicContact CD2-CG2 3.88Å |
| 201 | T | 98.4 | Very high | 96.1 | Very high | 26 Ų | 26 | 39.5 Ų | 39.5 | 16% | 0.16 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 133.9 | 171.5 | -43.9 | 0 | 0 | 0 | 0 | 108.8 | R206 I265 T266 T267 | T201-R206 CarbonylContact C-O 3.57Å; T201-R206 WeakPolarHBondContact CA-O 3.49Å; T201-I265 CarbonylContact O-C 3.59Å; T201-T266 PolarHBondContact O-N 2.85Å; T201-T266 PolarHBondContact O-OG1 2.83Å; T201-T266 VanDerWaalsContact O-OG1 3.1Å; T201-T267 WeakPolarHBondContact CB-OG1 3.27Å; T201-T267 PolarHBondContact N-O 2.93Å; T201-T267 PolarHBondContact O-N 2.78Å; T201-T267 PolarHBondContact OG1-OG1 2.82Å |
| 202 | T | 98.1 | Very high | 96 | Very high | 5 Ų | 5 | 37.6 Ų | 37.6 | 3% | 0.031 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 171.9 | -178.6 | 73.8 | 0 | 0 | 0 | 0 | 112.2 | S204 N205 R206 V251 D263 R264 T266 | T202-S204 VanDerWaalsContact C-N 3.27Å; T202-S204 PolarHBondContact O-N 3.14Å; T202-S204 PolarHBondContact OG1-N 3.05Å; T202-S204 PolarHBondContact OG1-OG 3.45Å; T202-N205 PolarHBondContact O-N 3.48Å; T202-R206 HydrophobicContact CG2-CB 4.39Å; T202-R206 PolarHBondContact N-O 2.69Å; T202-R206 WeakPolarHBondContact OG1-CB 3.46Å; T202-R206 PolarHBondContact OG1-N 3.38Å; T202-R206 VanDerWaalsContact OG1-N 3.14Å; T202-R206 PolarHBondContact OG1-O 3.27Å; T202-V251 HydrophobicContact CG2-CG2 3.53Å; T202-D263 WeakPolarHBondContact CB-OD2 3.02Å; T202-D263 PolarHBondContact OG1-OD2 3.18Å; T202-R264 CarbonylContact C-O 3.45Å; T202-R264 WeakPolarHBondContact CA-O 3.25Å; T202-T266 PolarHBondContact O-OG1 3.07Å |
| 203 | Q | 97.3 | Very high | 95.9 | Very high | 141 Ų | 141 | 37 Ų | 37 | 66% | 0.659 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -31.6 | 177.7 | -176.3 | 175.4 | -17.4 | 0 | 0 | 111.7 | N205 D263 R264 T266 | Q203-N205 PolarHBondContact O-N 2.98Å; Q203-D263 WeakPolarHBondContact CB-OD1 3.09Å; Q203-D263 PolarHBondContact N-OD1 2.83Å; Q203-R264 HydrophobicContact CB-CB 4.45Å; Q203-R264 PolarHBondContact N-O 3.15Å; Q203-T266 HydrophobicContact CB-CG2 3.89Å |
| 204 | S | 95.8 | Very high | 96 | Very high | 50 Ų | 50 | 34.9 Ų | 34.9 | 35% | 0.35 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | 10.4 | 171.6 | 88.7 | 0 | 0 | 0 | 0 | 114.1 | T202 R206 D263 | T202-S204 VanDerWaalsContact C-N 3.27Å; T202-S204 PolarHBondContact O-N 3.14Å; T202-S204 PolarHBondContact OG1-N 3.05Å; T202-S204 PolarHBondContact OG1-OG 3.45Å; S204-R206 PolarHBondContact O-N 2.74Å; S204-R206 WeakPolarHBondContact OG-CD 3.29Å; S204-R206 VanDerWaalsContact OG-CG 3.3Å; S204-R206 WeakPolarHBondContact OG-CG 3.46Å; S204-R206 PolarHBondContact OG-NH1 3.3Å; S204-D263 WeakPolarHBondContact CB-OD2 3.3Å; S204-D263 PolarHBondContact N-OD1 3.32Å; S204-D263 PolarHBondContact N-OD2 3.05Å; S204-D263 PolarHBondContact OG-OD2 2.9Å |
| 205 | N | 96.4 | Very high | 95.8 | Very high | 138 Ų | 138 | 31.1 Ų | 31.1 | 74% | 0.738 | 17% | 0.168 | S | C | * | . | trans | 59.9 | 27.7 | -175.7 | -161.5 | 39.6 | 0 | 0 | 0 | 114.1 | T202 Q203 | T202-N205 PolarHBondContact O-N 3.48Å; Q203-N205 PolarHBondContact O-N 2.98Å | ||
| 206 | R | 96.8 | Very high | 95.9 | Very high | 42 Ų | 42 | 30.2 Ų | 30.2 | 16% | 0.158 | 16% | 0.162 | C | C | . | . | trans | -81.9 | 143.8 | 167.1 | -71 | 167.6 | 175.8 | 101.1 | -3.7 | 108.2 | T201 T202 S204 D255 D290 V291 | T201-R206 CarbonylContact C-O 3.57Å; T201-R206 WeakPolarHBondContact CA-O 3.49Å; T202-R206 HydrophobicContact CG2-CB 4.39Å; T202-R206 PolarHBondContact N-O 2.69Å; T202-R206 WeakPolarHBondContact OG1-CB 3.46Å; T202-R206 PolarHBondContact OG1-N 3.38Å; T202-R206 VanDerWaalsContact OG1-N 3.14Å; T202-R206 PolarHBondContact OG1-O 3.27Å; S204-R206 PolarHBondContact O-N 2.74Å; S204-R206 WeakPolarHBondContact OG-CD 3.29Å; S204-R206 VanDerWaalsContact OG-CG 3.3Å; S204-R206 WeakPolarHBondContact OG-CG 3.46Å; S204-R206 PolarHBondContact OG-NH1 3.3Å; R206-D255 IonicContact CZ-OD2 3.71Å; R206-D255 IonicContact NH1-OD2 2.69Å; R206-D255 IonicContact NH2-OD2 3.76Å; R206-D255 PolarHBondContact NH2-OD2 3.41Å; R206-D290 IonicContact NE-OD2 3.77Å; R206-V291 HydrophobicContact CB-CG2 4.26Å | ||
| 207 | S | 97.3 | Very high | 95.9 | Very high | 37 Ų | 37 | 28.5 Ų | 28.5 | 26% | 0.259 | 15% | 0.153 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 133.8 | -179.9 | -171.6 | 0 | 0 | 0 | 0 | 110.9 | V199 L200 N289 | V199-S207 WeakPolarHBondContact CG1-OG 3.49Å; L200-S207 CarbonylContact O-C 3.48Å; L200-S207 VanDerWaalsContact O-CA 3.26Å; L200-S207 WeakPolarHBondContact O-CA 3.44Å; L200-S207 PolarHBondContact O-OG 2.58Å; S207-N289 WeakPolarHBondContact O-CB 3.36Å; S207-N289 PolarHBondContact O-ND2 3.33Å |
| 208 | L | 97.5 | Very high | 95.8 | Very high | 3 Ų | 3 | 28.4 Ų | 28.4 | 2% | 0.016 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 122.6 | 177.1 | -165.1 | 71.7 | 0 | 0 | 0 | 108.9 | F149 V199 L200 L210 I216 V288 V291 V293 | F149-L208 HydrophobicContact CE1-CD1 4.41Å; V199-L208 WeakPolarHBondContact CA-O 3.08Å; L200-L208 HydrophobicContact CB-CB 4.49Å; L200-L208 PolarHBondContact N-O 3.15Å; L200-L208 PolarHBondContact O-N 3.26Å; L208-L210 HydrophobicContact CB-CD2 3.9Å; L208-L210 HydrophobicContact CD2-CD2 3.29Å; L208-L210 HydrophobicContact CG-CD2 3.27Å; L208-I216 HydrophobicContact CD2-CG2 4.15Å; L208-V288 HydrophobicContact CD1-CB 3.84Å; L208-V288 HydrophobicContact CD1-CG1 3.78Å; L208-V291 HydrophobicContact CD1-CB 4.42Å; L208-V291 HydrophobicContact CD2-CG1 4.31Å; L208-V293 HydrophobicContact CD1-CG1 4.19Å; L208-V293 HydrophobicContact CD2-CG1 3.6Å |
| 209 | T | 97.5 | Very high | 95.7 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.006 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 110.8 | 179.9 | -56.8 | 0 | 0 | 0 | 0 | 110.1 | S150 M153 F197 I198 V199 V271 K273 | S150-T209 PolarHBondContact N-O 3.03Å; S150-T209 VanDerWaalsContact OG-CB 3.3Å; S150-T209 WeakPolarHBondContact OG-CB 3.37Å; S150-T209 VanDerWaalsContact OG-CG2 3.29Å; S150-T209 WeakPolarHBondContact OG-CG2 3.49Å; M153-T209 WeakPolarHBondContact CG-O 3.5Å; M153-T209 PolarHBondContact SD-N 3.4Å; F197-T209 HydrophobicContact CB-CG2 3.46Å; F197-T209 VanDerWaalsContact CB-CG2 3.46Å; F197-T209 HydrophobicContact CD1-CG2 4.06Å; F197-T209 HydrophobicContact CD2-CG2 4.49Å; F197-T209 HydrophobicContact CG-CG2 3.78Å; I198-T209 WeakPolarHBondContact O-CA 3.26Å; V199-T209 HydrophobicContact CG2-CG2 4.21Å; T209-V271 HydrophobicContact CG2-CG1 3.96Å; T209-K273 HydrophobicContact CG2-CD 4.21Å |
| 210 | L | 96.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 158.6 | -169.8 | 57.7 | 140.9 | 0 | 0 | 0 | 112.5 | C148 F149 F197 I198 L200 L208 H214 I216 A242 | C148-L210 CarbonylContact O-C 3.54Å; C148-L210 VanDerWaalsContact O-CA 3.28Å; C148-L210 WeakPolarHBondContact O-CA 3.49Å; F149-L210 HydrophobicContact CD1-CB 4.28Å; F197-L210 CarbonylContact C-O 3.58Å; F197-L210 WeakPolarHBondContact CA-O 3.33Å; F197-L210 VanDerWaalsContact CD1-C 3.4Å; I198-L210 PolarHBondContact N-O 3.28Å; I198-L210 PolarHBondContact O-N 3.47Å; L200-L210 HydrophobicContact CD1-CD2 4.45Å; L208-L210 HydrophobicContact CB-CD2 3.9Å; L208-L210 HydrophobicContact CD2-CD2 3.29Å; L208-L210 HydrophobicContact CG-CD2 3.27Å; L210-H214 HydrophobicContact CB-CB 4.16Å; L210-H214 HydrophobicContact CD1-CB 3.5Å; L210-H214 HydrophobicContact CG-CB 4.44Å; L210-I216 HydrophobicContact CD1-CG2 3.98Å; L210-A242 HydrophobicContact CD1-CB 3.05Å; L210-A242 HydrophobicContact CG-CB 3.99Å |
| 211 | T | 95.1 | Very high | 95.1 | Very high | 11 Ų | 11 | 34.2 Ų | 34.2 | 7% | 0.067 | 18% | 0.182 | C | C | . | . | trans | -65.5 | 150.4 | 178 | 51.9 | 0 | 0 | 0 | 0 | 111.2 | L143 C148 T195 F197 E213 H214 | L143-T211 HydrophobicContact CD1-CG2 4.46Å; C148-T211 HydrophobicContact CB-CG2 3.75Å; C148-T211 PolarHBondContact N-OG1 2.98Å; C148-T211 PolarHBondContact O-N 3.11Å; C148-T211 PolarHBondContact O-OG1 3.45Å; T195-T211 HydrophobicContact CG2-CG2 4.04Å; F197-T211 HydrophobicContact CD1-CG2 4.3Å; F197-T211 HydrophobicContact CE1-CG2 4.04Å; T211-E213 PolarHBondContact O-N 3.04Å; T211-H214 VanDerWaalsContact O-CB 3.27Å; T211-H214 WeakPolarHBondContact O-CB 3.03Å; T211-H214 PolarHBondContact O-N 2.88Å | ||
| 212 | P | 93.8 | Very high | 94.7 | Very high | 37 Ų | 37 | 40.1 Ų | 40.1 | 24% | 0.24 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | -35 | -178.8 | -29 | 34.6 | 0 | 0 | 0 | 115.8 | I198 A242 S243 | I198-P212 HydrophobicContact CD1-CB 4Å; I198-P212 HydrophobicContact CD1-CG 4.24Å; I198-P212 HydrophobicContact CG1-CB 4.45Å; I198-P212 HydrophobicContact CG1-CG 4.16Å; P212-A242 PolarHBondContact O-N 3.27Å; P212-S243 WeakPolarHBondContact O-CB 3.47Å; P212-S243 PolarHBondContact O-N 2.81Å; P212-S243 PolarHBondContact O-OG 3.46Å |
| 213 | E | 91 | Very high | 94.2 | Very high | 82 Ų | 82 | 42 Ų | 42 | 38% | 0.383 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | 5.2 | -176.1 | -55.4 | -55.3 | 136.1 | 0 | 0 | 114.1 | T211 F241 S297 | T211-E213 PolarHBondContact O-N 3.04Å; E213-F241 VanDerWaalsContact O-CD1 3.3Å; E213-F241 WeakPolarHBondContact O-CD1 3.2Å; E213-F241 VanDerWaalsContact OE2-CD2 3.29Å; E213-F241 WeakPolarHBondContact OE2-CD2 3.5Å; E213-F241 VanDerWaalsContact OE2-CE2 3.28Å; E213-F241 WeakPolarHBondContact OE2-CE2 3.37Å; E213-S297 WeakPolarHBondContact O-CB 3.29Å |
| 214 | H | 93.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.234 | C | C | . | . | B | Isolated β-bridge | trans | -73.6 | 133.3 | 177.8 | -164.7 | 119.7 | 0 | 0 | 0 | 109.5 | G147 C148 F149 L210 T211 A242 S294 | G147-H214 WeakPolarHBondContact CA-ND1 3.17Å; G147-H214 PolarHBondContact O-ND1 3.13Å; C148-H214 PolarHBondContact N-ND1 2.85Å; F149-H214 AromaticContact CD2-CE1 3.89Å; F149-H214 AromaticContact CE1-CE1 3.55Å; F149-H214 AromaticContact CE1-NE2 3.68Å; F149-H214 AromaticContact CE2-CE1 3.3Å; F149-H214 WeakPolarHBondContact CE2-CE1 3.13Å; F149-H214 AromaticContact CE2-NE2 3.82Å; F149-H214 AromaticContact CZ-CE1 3.09Å; F149-H214 WeakPolarHBondContact CZ-CE1 3.42Å; F149-H214 AromaticContact CZ-NE2 3.19Å; F149-H214 WeakPolarHBondContact CZ-NE2 3.38Å; L210-H214 HydrophobicContact CB-CB 4.16Å; L210-H214 HydrophobicContact CD1-CB 3.5Å; L210-H214 HydrophobicContact CG-CB 4.44Å; T211-H214 VanDerWaalsContact O-CB 3.27Å; T211-H214 WeakPolarHBondContact O-CB 3.03Å; T211-H214 PolarHBondContact O-N 2.88Å; H214-A242 PolarHBondContact O-N 3.5Å; H214-S294 PolarHBondContact NE2-O 3.37Å |
| 215 | L | 91.5 | Very high | 92.8 | Very high | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.016 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 125.3 | -177.9 | -70.7 | 172.6 | 0 | 0 | 0 | 111.5 | Q240 F241 S294 F296 | L215-Q240 WeakPolarHBondContact CA-O 3.19Å; L215-F241 HydrophobicContact CD2-CD1 3.53Å; L215-F241 HydrophobicContact CD2-CE1 3.71Å; L215-F241 HydrophobicContact CG-CD1 4.25Å; L215-F241 HydrophobicContact CG-CE1 4.31Å; L215-S294 WeakPolarHBondContact O-CB 3.35Å; L215-S294 PolarHBondContact O-N 3.41Å; L215-F296 WeakPolarHBondContact CB-O 3.43Å; L215-F296 PolarHBondContact N-O 2.89Å; L215-F296 VanDerWaalsContact N-O 3.11Å |
| 216 | I | 93.9 | Very high | 92.3 | Very high | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 140.6 | 175.7 | 53.6 | 165.6 | 0 | 0 | 0 | 110.1 | L200 L208 L210 L218 S239 Q240 A242 V293 | L200-I216 HydrophobicContact CD1-CD1 3.32Å; L208-I216 HydrophobicContact CD2-CG2 4.15Å; L210-I216 HydrophobicContact CD1-CG2 3.98Å; I216-L218 HydrophobicContact CD1-CD1 4.19Å; I216-L218 HydrophobicContact CD1-CD2 3.71Å; I216-L218 HydrophobicContact CD1-CG 3.99Å; I216-L218 HydrophobicContact CG1-CD1 4.18Å; I216-L218 HydrophobicContact CG1-CD2 4.19Å; I216-L218 HydrophobicContact CG1-CG 3.93Å; I216-L218 PolarHBondContact O-N 3.26Å; I216-L218 VanDerWaalsContact O-N 3.12Å; I216-S239 WeakPolarHBondContact O-CA 3.35Å; I216-Q240 PolarHBondContact N-O 3.43Å; I216-Q240 PolarHBondContact O-N 2.81Å; I216-A242 HydrophobicContact CD1-CB 4.11Å; I216-A242 HydrophobicContact CG1-CB 4.26Å; I216-V293 HydrophobicContact CG2-CB 4.22Å; I216-V293 HydrophobicContact CG2-CG1 3.91Å |
| 217 | P | 93.8 | Very high | 91.9 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.006 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 114.6 | 172.8 | -20.3 | 33.5 | 0 | 0 | 0 | 109.9 | M219 A235 W238 I252 F292 | P217-M219 VanDerWaalsContact C-CE 3.46Å; P217-M219 HydrophobicContact CB-CE 3.67Å; P217-M219 WeakPolarHBondContact O-CE 3.4Å; P217-A235 HydrophobicContact CG-CB 4.45Å; P217-W238 WeakPolarHBondContact CA-O 3.38Å; P217-I252 HydrophobicContact CB-CD1 4Å; P217-F292 HydrophobicContact CG-CD1 3.92Å; P217-F292 HydrophobicContact CG-CE1 3.94Å |
| 218 | L | 95 | Very high | 91.5 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -119.1 | 126.9 | 176.9 | -69 | 175.5 | 0 | 0 | 0 | 109.3 | I216 W238 Q240 A245 H249 V251 I265 | I216-L218 HydrophobicContact CD1-CD1 4.19Å; I216-L218 HydrophobicContact CD1-CD2 3.71Å; I216-L218 HydrophobicContact CD1-CG 3.99Å; I216-L218 HydrophobicContact CG1-CD1 4.18Å; I216-L218 HydrophobicContact CG1-CD2 4.19Å; I216-L218 HydrophobicContact CG1-CG 3.93Å; I216-L218 PolarHBondContact O-N 3.26Å; I216-L218 VanDerWaalsContact O-N 3.12Å; L218-W238 PolarHBondContact N-O 2.67Å; L218-Q240 HydrophobicContact CD1-CB 4.19Å; L218-A245 HydrophobicContact CD1-CB 3.86Å; L218-A245 HydrophobicContact CD2-CB 4.16Å; L218-H249 HydrophobicContact CD2-CB 4.17Å; L218-V251 HydrophobicContact CD2-CG1 4.13Å; L218-I265 HydrophobicContact CD2-CD1 3.91Å | ||
| 219 | M | 94.3 | Very high | 91.1 | Very high | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 157.3 | 178.4 | 51.1 | -127.8 | 65.6 | 0 | 0 | 111.5 | P217 C221 I226 W238 H249 C250 I252 L262 | P217-M219 VanDerWaalsContact C-CE 3.46Å; P217-M219 HydrophobicContact CB-CE 3.67Å; P217-M219 WeakPolarHBondContact O-CE 3.4Å; M219-C221 PolarHBondContact O-N 3.03Å; M219-I226 HydrophobicContact CB-CD1 3.23Å; M219-I226 HydrophobicContact CG-CD1 3.7Å; M219-I226 HydrophobicContact SD-CD1 4.02Å; M219-I226 HydrophobicContact SD-CG2 4.22Å; M219-W238 HydrophobicContact CE-CB 4.27Å; M219-H249 CarbonylContact O-C 3.54Å; M219-H249 VanDerWaalsContact O-CA 3.28Å; M219-H249 WeakPolarHBondContact O-CA 3.24Å; M219-C250 HydrophobicContact CG-CB 4.36Å; M219-C250 PolarHBondContact N-O 2.9Å; M219-C250 PolarHBondContact O-N 3.41Å; M219-I252 HydrophobicContact CE-CD1 3.93Å; M219-I252 HydrophobicContact CE-CG1 3.97Å; M219-I252 HydrophobicContact SD-CD1 4.13Å; M219-I252 HydrophobicContact SD-CG1 3.87Å; M219-L262 HydrophobicContact CG-CD1 4.18Å; M219-L262 HydrophobicContact CG-CD2 3.76Å; M219-L262 HydrophobicContact SD-CD2 3.33Å; M219-L262 WeakPolarHBondContact SD-CD2 3.46Å |
| 220 | H | 94.1 | Very high | 90.6 | Very high | 103 Ų | 103 | 54.9 Ų | 54.9 | 48% | 0.477 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 131.1 | 170.2 | -67.5 | 87.6 | 0 | 0 | 0 | 109.4 | N222 D223 | H220-N222 PolarHBondContact O-N 2.94Å; H220-N222 VanDerWaalsContact O-N 3.08Å; H220-D223 HydrophobicContact CB-CB 4.34Å; H220-D223 WeakPolarHBondContact O-CB 3.34Å; H220-D223 PolarHBondContact O-N 3.3Å |
| 221 | C | 91.4 | Very high | 90.4 | Very high | 36 Ų | 36 | 55 Ų | 55 | 24% | 0.243 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -26.8 | -177.4 | -63.6 | 0 | 0 | 0 | 0 | 114 | M219 H249 C250 | M219-C221 PolarHBondContact O-N 3.03Å; C221-H249 VanDerWaalsContact SG-C 3.53Å; C221-C250 WeakPolarHBondContact CA-SG 3.31Å; C221-C250 HydrophobicContact CB-CB 4.07Å; C221-C250 WeakPolarHBondContact CB-SG 3.41Å; C221-C250 VanDerWaalsContact SG-CA 3.58Å; C221-C250 WeakPolarHBondContact SG-CB 3.29Å; C221-C250 PolarHBondContact SG-N 3.46Å; C221-C250 VanDerWaalsContact SG-N 3.42Å; C221-C250 CovalentContact SG-SG 2.03Å; C221-C250 PolarHBondContact SG-SG 2.91Å |
| 222 | N | 88.2 | Confident | 89.9 | Confident | 150 Ų | 150 | 57.5 Ų | 57.5 | 80% | 0.802 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | 1.1 | -177.7 | -63.8 | -27.4 | 0 | 0 | 0 | 113.4 | H220 K224 | H220-N222 PolarHBondContact O-N 2.94Å; H220-N222 VanDerWaalsContact O-N 3.08Å; N222-K224 PolarHBondContact O-N 3.11Å |
| 223 | D | 87.6 | Confident | 89.5 | Confident | 44 Ų | 44 | 60.4 Ų | 60.4 | 24% | 0.235 | 32% | 0.315 | C | S | . | . | trans | -76 | 97.7 | 179.9 | -169.6 | -11.8 | 0 | 0 | 0 | 110.9 | H220 T225 I226 | H220-D223 HydrophobicContact CB-CB 4.34Å; H220-D223 WeakPolarHBondContact O-CB 3.34Å; H220-D223 PolarHBondContact O-N 3.3Å; D223-T225 PolarHBondContact O-N 3.03Å; D223-T225 VanDerWaalsContact OD1-CB 3.28Å; D223-T225 WeakPolarHBondContact OD1-CB 3.42Å; D223-T225 WeakPolarHBondContact OD1-CG2 3.35Å; D223-T225 PolarHBondContact OD1-N 2.86Å; D223-T225 PolarHBondContact OD1-OG1 2.77Å; D223-T225 PolarHBondContact OD2-OG1 3.25Å; D223-I226 HydrophobicContact CB-CD1 3.82Å; D223-I226 HydrophobicContact CB-CG1 4.11Å | ||
| 224 | K | 81.3 | Confident | 89.4 | Confident | 205 Ų | 205 | 56.9 Ų | 56.9 | 89% | 0.891 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -5.5 | 178.8 | -62.5 | -178.8 | -178.1 | 176 | 0 | 113.6 | N222 I226 | N222-K224 PolarHBondContact O-N 3.11Å; K224-I226 VanDerWaalsContact C-N 3.28Å |
| 225 | T | 83.4 | Confident | 89 | Confident | 112 Ų | 112 | 56.9 Ų | 56.9 | 69% | 0.687 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -8.6 | -179.3 | 73.1 | 0 | 0 | 0 | 0 | 112.8 | D223 S227 | D223-T225 PolarHBondContact O-N 3.03Å; D223-T225 VanDerWaalsContact OD1-CB 3.28Å; D223-T225 WeakPolarHBondContact OD1-CB 3.42Å; D223-T225 WeakPolarHBondContact OD1-CG2 3.35Å; D223-T225 PolarHBondContact OD1-N 2.86Å; D223-T225 PolarHBondContact OD1-OG1 2.77Å; D223-T225 PolarHBondContact OD2-OG1 3.25Å; T225-S227 PolarHBondContact O-N 2.89Å |
| 226 | I | 85.1 | Confident | 88.5 | Confident | 24 Ų | 24 | 58.5 Ų | 58.5 | 12% | 0.123 | 31% | 0.311 | C | S | . | . | trans | -85.1 | 110.1 | -176 | -57.1 | 178.9 | 0 | 0 | 0 | 109.9 | M219 D223 K224 L228 L234 W238 | M219-I226 HydrophobicContact CB-CD1 3.23Å; M219-I226 HydrophobicContact CG-CD1 3.7Å; M219-I226 HydrophobicContact SD-CD1 4.02Å; M219-I226 HydrophobicContact SD-CG2 4.22Å; D223-I226 HydrophobicContact CB-CD1 3.82Å; D223-I226 HydrophobicContact CB-CG1 4.11Å; K224-I226 VanDerWaalsContact C-N 3.28Å; I226-L228 HydrophobicContact CG2-CD2 4Å; I226-L234 HydrophobicContact CG2-CD1 4.23Å; I226-L234 HydrophobicContact CG2-CD2 3.85Å; I226-W238 HydrophobicContact CD1-CZ2 4.44Å; I226-W238 HydrophobicContact CG1-CZ2 4.31Å | ||
| 227 | S | 88.3 | Confident | 88.2 | Confident | 63 Ų | 63 | 66.8 Ų | 66.8 | 44% | 0.441 | 34% | 0.342 | S | S | . | . | trans | -82.7 | 130.8 | 165.4 | 157.9 | 0 | 0 | 0 | 0 | 109.6 | T225 D229 | T225-S227 PolarHBondContact O-N 2.89Å; S227-D229 VanDerWaalsContact C-N 3.31Å; S227-D229 WeakPolarHBondContact OG-CB 3.28Å; S227-D229 PolarHBondContact OG-N 3.12Å; S227-D229 PolarHBondContact OG-OD2 3.38Å | ||
| 228 | L | 90.2 | Very high | 88 | Confident | 40 Ų | 40 | 69.5 Ų | 69.5 | 21% | 0.209 | 35% | 0.352 | C | S | . | . | trans | -91.4 | 10.3 | 176.8 | -58.1 | -179.1 | 0 | 0 | 0 | 112.9 | I226 N230 L234 I252 V260 L262 | I226-L228 HydrophobicContact CG2-CD2 4Å; L228-N230 VanDerWaalsContact C-N 3.33Å; L228-N230 PolarHBondContact O-N 2.76Å; L228-L234 HydrophobicContact CD2-CD1 3.67Å; L228-I252 HydrophobicContact CD2-CG1 4.37Å; L228-V260 HydrophobicContact CB-CB 4.47Å; L228-V260 HydrophobicContact CB-CG1 3.95Å; L228-V260 HydrophobicContact CD1-CG1 4.14Å; L228-L262 HydrophobicContact CD1-CG 4.31Å; L228-L262 HydrophobicContact CD2-CD2 3.95Å; L228-L262 HydrophobicContact CD2-CG 4.39Å | ||
| 229 | D | 87.6 | Confident | 87.7 | Confident | 153 Ų | 153 | 70.4 Ų | 70.4 | 82% | 0.818 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -75.2 | -23.5 | -174.1 | -55.4 | -40.9 | 0 | 0 | 0 | 112.8 | S227 | S227-D229 VanDerWaalsContact C-N 3.31Å; S227-D229 WeakPolarHBondContact OG-CB 3.28Å; S227-D229 PolarHBondContact OG-N 3.12Å; S227-D229 PolarHBondContact OG-OD2 3.38Å |
| 230 | N | 88.3 | Confident | 87.6 | Confident | 85 Ų | 85 | 73.8 Ų | 73.8 | 46% | 0.455 | 37% | 0.374 | S | S | . | . | trans | -131.6 | 87.2 | 179.6 | -171.7 | -22.7 | 0 | 0 | 0 | 110.8 | L228 E232 L233 L234 | L228-N230 VanDerWaalsContact C-N 3.33Å; L228-N230 PolarHBondContact O-N 2.76Å; N230-E232 VanDerWaalsContact C-N 3.3Å; N230-E232 PolarHBondContact O-N 2.94Å; N230-E232 PolarHBondContact OD1-N 3.5Å; N230-L233 HydrophobicContact CB-CB 4.18Å; N230-L233 PolarHBondContact O-N 3.33Å; N230-L233 PolarHBondContact OD1-N 3.33Å; N230-L233 VanDerWaalsContact OD1-N 3.08Å; N230-L234 PolarHBondContact O-N 2.9Å | ||
| 231 | L | 90.8 | Very high | 87.5 | Confident | 2 Ų | 2 | 70.8 Ų | 70.8 | 1% | 0.01 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64 | -33.6 | -177.6 | -65.1 | -166.6 | 0 | 0 | 0 | 113.3 | D176 L233 L234 A235 I252 L254 V260 F292 | D176-L231 WeakPolarHBondContact OD1-CD1 3.46Å; L231-L233 VanDerWaalsContact C-N 3.31Å; L231-L233 PolarHBondContact O-N 2.91Å; L231-L234 HydrophobicContact CD2-CD1 3.84Å; L231-L234 WeakPolarHBondContact O-CB 3.13Å; L231-L234 PolarHBondContact O-N 3.29Å; L231-L234 VanDerWaalsContact O-N 3.12Å; L231-A235 PolarHBondContact O-N 2.78Å; L231-I252 HydrophobicContact CD1-CG2 4.33Å; L231-I252 HydrophobicContact CD2-CD1 4.18Å; L231-I252 HydrophobicContact CD2-CG2 3.86Å; L231-L254 HydrophobicContact CD1-CD2 3.97Å; L231-V260 HydrophobicContact CD1-CG1 4.02Å; L231-V260 HydrophobicContact CD1-CG2 4.44Å; L231-V260 HydrophobicContact CD2-CG1 3.81Å; L231-V260 HydrophobicContact CG-CG1 4.37Å; L231-F292 HydrophobicContact CB-CD1 4.45Å; L231-F292 HydrophobicContact CB-CD2 4.23Å; L231-F292 HydrophobicContact CB-CE1 3.97Å; L231-F292 HydrophobicContact CB-CE2 3.71Å; L231-F292 HydrophobicContact CB-CZ 3.57Å; L231-F292 HydrophobicContact CD1-CD2 3.93Å; L231-F292 HydrophobicContact CD1-CE2 4.23Å; L231-F292 HydrophobicContact CD1-CG 4.16Å; L231-F292 VanDerWaalsContact O-CE1 3.31Å; L231-F292 WeakPolarHBondContact O-CE1 3.45Å; L231-F292 VanDerWaalsContact O-CZ 3.25Å; L231-F292 WeakPolarHBondContact O-CZ 3.3Å |
| 232 | E | 84.8 | Confident | 87.7 | Confident | 64 Ų | 64 | 69.1 Ų | 69.1 | 30% | 0.299 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.3 | -40.7 | 176.1 | -170.7 | 172.8 | 164.9 | 0 | 0 | 111.4 | N230 L234 A235 S236 Q283 | N230-E232 VanDerWaalsContact C-N 3.3Å; N230-E232 PolarHBondContact O-N 2.94Å; N230-E232 PolarHBondContact OD1-N 3.5Å; E232-L234 VanDerWaalsContact C-N 3.33Å; E232-L234 PolarHBondContact O-N 3.18Å; E232-A235 PolarHBondContact O-N 2.76Å; E232-S236 PolarHBondContact O-N 2.71Å; E232-Q283 HydrophobicContact CG-CG 4.3Å; E232-Q283 PolarHBondContact OE2-NE2 3.22Å |
| 233 | L | 86.3 | Confident | 88 | Confident | 98 Ų | 98 | 63 Ų | 63 | 51% | 0.513 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.4 | -36.9 | 174.5 | -177 | 63.3 | 0 | 0 | 0 | 111.9 | N230 L231 S236 R237 | N230-L233 HydrophobicContact CB-CB 4.18Å; N230-L233 PolarHBondContact O-N 3.33Å; N230-L233 PolarHBondContact OD1-N 3.33Å; N230-L233 VanDerWaalsContact OD1-N 3.08Å; L231-L233 VanDerWaalsContact C-N 3.31Å; L231-L233 PolarHBondContact O-N 2.91Å; L233-S236 PolarHBondContact O-N 2.88Å; L233-R237 VanDerWaalsContact O-CB 3.31Å; L233-R237 WeakPolarHBondContact O-CB 3.32Å; L233-R237 PolarHBondContact O-N 2.53Å |
| 234 | L | 87.8 | Confident | 88.3 | Confident | 9 Ų | 9 | 66.8 Ų | 66.8 | 5% | 0.047 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66.3 | -39.5 | 176 | -62.2 | 179.6 | 0 | 0 | 0 | 111.9 | I226 L228 N230 L231 E232 S236 R237 W238 I252 | I226-L234 HydrophobicContact CG2-CD1 4.23Å; I226-L234 HydrophobicContact CG2-CD2 3.85Å; L228-L234 HydrophobicContact CD2-CD1 3.67Å; N230-L234 PolarHBondContact O-N 2.9Å; L231-L234 HydrophobicContact CD2-CD1 3.84Å; L231-L234 WeakPolarHBondContact O-CB 3.13Å; L231-L234 PolarHBondContact O-N 3.29Å; L231-L234 VanDerWaalsContact O-N 3.12Å; E232-L234 VanDerWaalsContact C-N 3.33Å; E232-L234 PolarHBondContact O-N 3.18Å; L234-S236 VanDerWaalsContact C-N 3.28Å; L234-S236 PolarHBondContact O-N 2.76Å; L234-R237 PolarHBondContact O-N 3.35Å; L234-W238 WeakPolarHBondContact O-CB 3.3Å; L234-W238 PolarHBondContact O-N 3.26Å; L234-I252 HydrophobicContact CB-CD1 3.98Å; L234-I252 HydrophobicContact CD1-CD1 3.55Å; L234-I252 HydrophobicContact CG-CD1 4.43Å |
| 235 | A | 85.4 | Confident | 89.1 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.9 | -39.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112 | P217 L231 E232 S239 T285 F292 | P217-A235 HydrophobicContact CG-CB 4.45Å; L231-A235 PolarHBondContact O-N 2.78Å; E232-A235 PolarHBondContact O-N 2.76Å; A235-S239 WeakPolarHBondContact O-CB 3.18Å; A235-S239 PolarHBondContact O-OG 3.32Å; A235-T285 HydrophobicContact CB-CG2 3.8Å; A235-F292 HydrophobicContact CB-CE1 3.88Å; A235-F292 HydrophobicContact CB-CZ 4.02Å |
| 236 | S | 81.9 | Confident | 89.7 | Confident | 37 Ų | 37 | 54.4 Ų | 54.4 | 26% | 0.259 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -70.6 | -39.7 | 177.6 | -163.5 | 0 | 0 | 0 | 0 | 113.1 | E232 L233 L234 N303 | E232-S236 PolarHBondContact O-N 2.71Å; L233-S236 PolarHBondContact O-N 2.88Å; L234-S236 VanDerWaalsContact C-N 3.28Å; L234-S236 PolarHBondContact O-N 2.76Å; S236-N303 PolarHBondContact OG-ND2 3.25Å; S236-N303 PolarHBondContact OG-OD1 2.71Å |
| 237 | R | 85.9 | Confident | 90.3 | Very high | 176 Ų | 176 | 56.1 Ų | 56.1 | 66% | 0.664 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -90.2 | -35.5 | -169.7 | -177.6 | 174 | 175 | 176.4 | -1.9 | 114.6 | L233 L234 | L233-R237 VanDerWaalsContact O-CB 3.31Å; L233-R237 WeakPolarHBondContact O-CB 3.32Å; L233-R237 PolarHBondContact O-N 2.53Å; L234-R237 PolarHBondContact O-N 3.35Å |
| 238 | W | 89.5 | Confident | 90.7 | Very high | 57 Ų | 57 | 58 Ų | 58 | 22% | 0.216 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -118.1 | 4.5 | -168.5 | -62.2 | 104 | 0 | 0 | 0 | 113.5 | P217 L218 M219 I226 L234 Q240 | P217-W238 WeakPolarHBondContact CA-O 3.38Å; L218-W238 PolarHBondContact N-O 2.67Å; M219-W238 HydrophobicContact CE-CB 4.27Å; I226-W238 HydrophobicContact CD1-CZ2 4.44Å; I226-W238 HydrophobicContact CG1-CZ2 4.31Å; L234-W238 WeakPolarHBondContact O-CB 3.3Å; L234-W238 PolarHBondContact O-N 3.26Å; W238-Q240 PolarHBondContact O-N 2.84Å |
| 239 | S | 90.3 | Very high | 91 | Very high | 19 Ų | 19 | 57 Ų | 57 | 13% | 0.133 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 124.1 | 175.8 | -77.9 | 0 | 0 | 0 | 0 | 111.2 | I216 A235 | I216-S239 WeakPolarHBondContact O-CA 3.35Å; A235-S239 WeakPolarHBondContact O-CB 3.18Å; A235-S239 PolarHBondContact O-OG 3.32Å |
| 240 | Q | 91.4 | Very high | 91.5 | Very high | 72 Ų | 72 | 50 Ų | 50 | 34% | 0.336 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 162.3 | 173.9 | -65.5 | -177.6 | 65.3 | 0 | 0 | 109.1 | L215 I216 L218 W238 A242 K244 | L215-Q240 WeakPolarHBondContact CA-O 3.19Å; I216-Q240 PolarHBondContact N-O 3.43Å; I216-Q240 PolarHBondContact O-N 2.81Å; L218-Q240 HydrophobicContact CD1-CB 4.19Å; W238-Q240 PolarHBondContact O-N 2.84Å; Q240-A242 PolarHBondContact O-N 2.91Å; Q240-K244 HydrophobicContact CB-CB 4.46Å |
| 241 | F | 92.5 | Very high | 91.9 | Very high | 41 Ų | 41 | 46.1 Ų | 46.1 | 18% | 0.18 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 140.7 | 171.3 | -63.2 | -34.6 | 0 | 0 | 0 | 110.2 | E213 L215 S243 K244 | E213-F241 VanDerWaalsContact O-CD1 3.3Å; E213-F241 WeakPolarHBondContact O-CD1 3.2Å; E213-F241 VanDerWaalsContact OE2-CD2 3.29Å; E213-F241 WeakPolarHBondContact OE2-CD2 3.5Å; E213-F241 VanDerWaalsContact OE2-CE2 3.28Å; E213-F241 WeakPolarHBondContact OE2-CE2 3.37Å; L215-F241 HydrophobicContact CD2-CD1 3.53Å; L215-F241 HydrophobicContact CD2-CE1 3.71Å; L215-F241 HydrophobicContact CG-CD1 4.25Å; L215-F241 HydrophobicContact CG-CE1 4.31Å; F241-S243 WeakPolarHBondContact CB-OG 3.5Å; F241-S243 PolarHBondContact O-N 3.11Å; F241-S243 VanDerWaalsContact O-N 3.14Å; F241-K244 HydrophobicContact CB-CG 4.45Å; F241-K244 VanDerWaalsContact O-CB 3.27Å; F241-K244 WeakPolarHBondContact O-CB 3.39Å; F241-K244 PolarHBondContact O-N 3.09Å |
| 242 | A | 94.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -59.8 | -26.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | I198 L210 P212 H214 I216 Q240 K244 A245 | I198-A242 HydrophobicContact CD1-CB 4.48Å; L210-A242 HydrophobicContact CD1-CB 3.05Å; L210-A242 HydrophobicContact CG-CB 3.99Å; P212-A242 PolarHBondContact O-N 3.27Å; H214-A242 PolarHBondContact O-N 3.5Å; I216-A242 HydrophobicContact CD1-CB 4.11Å; I216-A242 HydrophobicContact CG1-CB 4.26Å; Q240-A242 PolarHBondContact O-N 2.91Å; A242-K244 PolarHBondContact O-N 3.12Å; A242-K244 VanDerWaalsContact O-N 3.15Å; A242-A245 VanDerWaalsContact O-CB 3.26Å; A242-A245 WeakPolarHBondContact O-CB 3.28Å; A242-A245 PolarHBondContact O-N 2.86Å |
| 243 | S | 94.3 | Very high | 92.7 | Very high | 23 Ų | 23 | 43 Ų | 43 | 16% | 0.161 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -60.7 | -13.7 | 169.4 | 63.8 | 0 | 0 | 0 | 0 | 114 | I23 P212 F241 | I23-S243 WeakPolarHBondContact CD1-O 3.33Å; P212-S243 WeakPolarHBondContact O-CB 3.47Å; P212-S243 PolarHBondContact O-N 2.81Å; P212-S243 PolarHBondContact O-OG 3.46Å; F241-S243 WeakPolarHBondContact CB-OG 3.5Å; F241-S243 PolarHBondContact O-N 3.11Å; F241-S243 VanDerWaalsContact O-N 3.14Å |
| 244 | K | 95.1 | Very high | 93.1 | Very high | 122 Ų | 122 | 39 Ų | 39 | 53% | 0.53 | 19% | 0.189 | S | C | . | . | G | 310 helix | trans | -93 | -7 | 174.1 | -60.2 | -64.2 | -173.2 | 173.1 | 0 | 113.6 | Q240 F241 A242 | Q240-K244 HydrophobicContact CB-CB 4.46Å; F241-K244 HydrophobicContact CB-CG 4.45Å; F241-K244 VanDerWaalsContact O-CB 3.27Å; F241-K244 WeakPolarHBondContact O-CB 3.39Å; F241-K244 PolarHBondContact O-N 3.09Å; A242-K244 PolarHBondContact O-N 3.12Å; A242-K244 VanDerWaalsContact O-N 3.15Å |
| 245 | A | 96.9 | Very high | 93.1 | Very high | 3 Ų | 3 | 40.2 Ų | 40.2 | 3% | 0.025 | 20% | 0.195 | C | C | . | . | trans | -63.6 | 137.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L200 L218 A242 I265 | L200-A245 HydrophobicContact CD1-CB 3.95Å; L200-A245 HydrophobicContact CD2-CB 3.59Å; L200-A245 HydrophobicContact CG-CB 4.46Å; L218-A245 HydrophobicContact CD1-CB 3.86Å; L218-A245 HydrophobicContact CD2-CB 4.16Å; A242-A245 VanDerWaalsContact O-CB 3.26Å; A242-A245 WeakPolarHBondContact O-CB 3.28Å; A242-A245 PolarHBondContact O-N 2.86Å; A245-I265 HydrophobicContact CB-CD1 3.94Å | ||
| 246 | T | 97.2 | Very high | 93 | Very high | 54 Ų | 54 | 44.8 Ų | 44.8 | 33% | 0.331 | 23% | 0.233 | S | C | . | . | trans | -138.9 | 170.8 | 174.9 | 71.7 | 0 | 0 | 0 | 0 | 108.9 | E248 H249 | T246-E248 PolarHBondContact O-N 2.77Å; T246-E248 VanDerWaalsContact O-N 3.16Å; T246-E248 PolarHBondContact OG1-N 2.9Å; T246-H249 PolarHBondContact N-ND1 2.71Å; T246-H249 WeakPolarHBondContact O-CB 3.33Å; T246-H249 PolarHBondContact O-N 2.86Å; T246-H249 VanDerWaalsContact O-N 3.09Å; T246-H249 PolarHBondContact OG1-CE1 2.89Å; T246-H249 PolarHBondContact OG1-ND1 3.22Å | ||
| 247 | T | 97 | Very high | 93.1 | Very high | 60 Ų | 60 | 50.9 Ų | 50.9 | 37% | 0.368 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -6.8 | 176.5 | 53.2 | 0 | 0 | 0 | 0 | 114.3 | H249 R264 I265 T266 | T247-H249 VanDerWaalsContact C-N 3.33Å; T247-R264 PolarHBondContact O-NE 3.34Å; T247-R264 PolarHBondContact O-NH2 2.79Å; T247-R264 VanDerWaalsContact O-NH2 3.13Å; T247-I265 VanDerWaalsContact CA-O 3.28Å; T247-I265 WeakPolarHBondContact CA-O 3.17Å; T247-T266 WeakPolarHBondContact CG2-O 3.28Å |
| 248 | E | 95.9 | Very high | 93.1 | Very high | 103 Ų | 103 | 45.8 Ų | 45.8 | 48% | 0.481 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -10 | 173 | -60.2 | -48 | 112.8 | 0 | 0 | 112.8 | T246 R264 | T246-E248 PolarHBondContact O-N 2.77Å; T246-E248 VanDerWaalsContact O-N 3.16Å; T246-E248 PolarHBondContact OG1-N 2.9Å; E248-R264 IonicContact OE1-NH2 2.94Å; E248-R264 PolarHBondContact OE1-NH2 2.89Å; E248-R264 IonicContact OE2-NH2 3.49Å; E248-R264 PolarHBondContact OE2-NH2 2.85Å |
| 249 | H | 97.4 | Very high | 93.2 | Very high | 20 Ų | 20 | 44 Ų | 44 | 9% | 0.093 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 155.1 | 179.1 | -63.1 | 101.8 | 0 | 0 | 0 | 112.5 | L218 M219 C221 T246 T247 I265 | L218-H249 HydrophobicContact CD2-CB 4.17Å; M219-H249 CarbonylContact O-C 3.54Å; M219-H249 VanDerWaalsContact O-CA 3.28Å; M219-H249 WeakPolarHBondContact O-CA 3.24Å; C221-H249 VanDerWaalsContact SG-C 3.53Å; T246-H249 PolarHBondContact N-ND1 2.71Å; T246-H249 WeakPolarHBondContact O-CB 3.33Å; T246-H249 PolarHBondContact O-N 2.86Å; T246-H249 VanDerWaalsContact O-N 3.09Å; T246-H249 PolarHBondContact OG1-CE1 2.89Å; T246-H249 PolarHBondContact OG1-ND1 3.22Å; T247-H249 VanDerWaalsContact C-N 3.33Å; H249-I265 HydrophobicContact CB-CD1 4.19Å; H249-I265 PolarHBondContact O-N 3.22Å |
| 250 | C | 97.2 | Very high | 93.4 | Very high | 4 Ų | 4 | 44.9 Ų | 44.9 | 3% | 0.027 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 147 | 167.7 | -88 | 0 | 0 | 0 | 0 | 109.9 | M219 C221 L262 D263 R264 | M219-C250 HydrophobicContact CG-CB 4.36Å; M219-C250 PolarHBondContact N-O 2.9Å; M219-C250 PolarHBondContact O-N 3.41Å; C221-C250 WeakPolarHBondContact CA-SG 3.31Å; C221-C250 HydrophobicContact CB-CB 4.07Å; C221-C250 WeakPolarHBondContact CB-SG 3.41Å; C221-C250 VanDerWaalsContact SG-CA 3.58Å; C221-C250 WeakPolarHBondContact SG-CB 3.29Å; C221-C250 PolarHBondContact SG-N 3.46Å; C221-C250 VanDerWaalsContact SG-N 3.42Å; C221-C250 CovalentContact SG-SG 2.03Å; C221-C250 PolarHBondContact SG-SG 2.91Å; C250-L262 HydrophobicContact CB-CB 4Å; C250-L262 HydrophobicContact CB-CD2 4.45Å; C250-D263 VanDerWaalsContact CA-O 3.27Å; C250-D263 WeakPolarHBondContact CA-O 3.27Å; C250-D263 VanDerWaalsContact SG-C 3.55Å; C250-R264 WeakPolarHBondContact SG-CA 3.38Å; C250-R264 PolarHBondContact SG-N 2.81Å |
| 251 | V | 97.1 | Very high | 93.5 | Very high | 4 Ų | 4 | 43.9 Ų | 43.9 | 2% | 0.024 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 163.6 | 165.5 | -63.1 | 0 | 0 | 0 | 0 | 109.6 | T202 L218 V253 L262 D263 I265 V291 | T202-V251 HydrophobicContact CG2-CG2 3.53Å; L218-V251 HydrophobicContact CD2-CG1 4.13Å; V251-V253 HydrophobicContact CG2-CG1 3.98Å; V251-L262 WeakPolarHBondContact O-CA 3.19Å; V251-D263 HydrophobicContact CG2-CB 4.42Å; V251-D263 PolarHBondContact N-O 2.92Å; V251-D263 PolarHBondContact O-N 3.44Å; V251-I265 HydrophobicContact CG1-CD1 3.97Å; V251-I265 HydrophobicContact CG1-CG1 4.1Å; V251-V291 HydrophobicContact CB-CG1 3.85Å; V251-V291 HydrophobicContact CG1-CG1 4.44Å; V251-V291 HydrophobicContact CG2-CG1 3.85Å |
| 252 | I | 96 | Very high | 93.6 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 125.9 | 173.9 | -58.9 | 165 | 0 | 0 | 0 | 107.9 | P217 M219 L228 L231 L234 V260 L262 F292 | P217-I252 HydrophobicContact CB-CD1 4Å; M219-I252 HydrophobicContact CE-CD1 3.93Å; M219-I252 HydrophobicContact CE-CG1 3.97Å; M219-I252 HydrophobicContact SD-CD1 4.13Å; M219-I252 HydrophobicContact SD-CG1 3.87Å; L228-I252 HydrophobicContact CD2-CG1 4.37Å; L231-I252 HydrophobicContact CD1-CG2 4.33Å; L231-I252 HydrophobicContact CD2-CD1 4.18Å; L231-I252 HydrophobicContact CD2-CG2 3.86Å; L234-I252 HydrophobicContact CB-CD1 3.98Å; L234-I252 HydrophobicContact CD1-CD1 3.55Å; L234-I252 HydrophobicContact CG-CD1 4.43Å; I252-V260 HydrophobicContact CG2-CG1 3.74Å; I252-L262 HydrophobicContact CG1-CD2 3.92Å; I252-F292 HydrophobicContact CB-CB 4.12Å; I252-F292 HydrophobicContact CB-CD1 4.45Å; I252-F292 HydrophobicContact CD1-CD1 4.15Å; I252-F292 HydrophobicContact CG2-CB 4.03Å; I252-F292 PolarHBondContact O-N 3.4Å |
| 253 | V | 96 | Very high | 93.7 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 147.9 | 176 | -53.6 | 0 | 0 | 0 | 0 | 111 | V251 L261 D263 D290 V291 | V251-V253 HydrophobicContact CG2-CG1 3.98Å; V253-L261 HydrophobicContact CG2-CD1 3.29Å; V253-L261 HydrophobicContact CG2-CD2 4.32Å; V253-L261 HydrophobicContact CG2-CG 3.51Å; V253-L261 PolarHBondContact N-O 3.26Å; V253-L261 PolarHBondContact O-N 2.84Å; V253-L261 VanDerWaalsContact O-N 3.07Å; V253-D263 HydrophobicContact CB-CB 4.4Å; V253-D263 HydrophobicContact CG1-CB 3.62Å; V253-D263 HydrophobicContact CG2-CB 3.83Å; V253-D290 CarbonylContact C-O 3.6Å; V253-D290 VanDerWaalsContact CA-O 3.27Å; V253-D290 WeakPolarHBondContact CA-O 3.48Å; V253-V291 HydrophobicContact CG1-CG2 4.17Å |
| 254 | L | 94.4 | Very high | 93.8 | Very high | 16 Ų | 16 | 48.4 Ų | 48.4 | 8% | 0.084 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 103.3 | 173 | -62.2 | -176.9 | 0 | 0 | 0 | 108.4 | L174 A177 L231 V260 V287 D290 | L174-L254 HydrophobicContact CD2-CD1 3.77Å; L174-L254 HydrophobicContact CG-CD1 4.34Å; A177-L254 HydrophobicContact CB-CD2 3.85Å; L231-L254 HydrophobicContact CD1-CD2 3.97Å; L254-V260 HydrophobicContact CD2-CB 4.27Å; L254-V260 HydrophobicContact CD2-CG1 4.16Å; L254-V260 HydrophobicContact CD2-CG2 3.65Å; L254-V287 HydrophobicContact CD1-CB 4.23Å; L254-V287 HydrophobicContact CD1-CG1 3.9Å; L254-V287 HydrophobicContact CD1-CG2 3.36Å; L254-V287 HydrophobicContact CG-CG1 4.45Å; L254-V287 HydrophobicContact CG-CG2 4.42Å; L254-D290 PolarHBondContact N-O 2.56Å |
| 255 | D | 89.7 | Confident | 94 | Very high | 33 Ų | 33 | 42.6 Ų | 42.6 | 18% | 0.176 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 135 | 177.3 | -169.6 | -93.8 | 0 | 0 | 0 | 110.5 | R206 Q257 A258 G259 L261 | R206-D255 IonicContact CZ-OD2 3.71Å; R206-D255 IonicContact NH1-OD2 2.69Å; R206-D255 IonicContact NH2-OD2 3.76Å; R206-D255 PolarHBondContact NH2-OD2 3.41Å; D255-Q257 PolarHBondContact O-N 2.92Å; D255-Q257 WeakPolarHBondContact OD1-CA 3.15Å; D255-Q257 WeakPolarHBondContact OD1-CB 3.31Å; D255-Q257 PolarHBondContact OD1-N 3.07Å; D255-Q257 PolarHBondContact OD1-OE1 3.42Å; D255-Q257 VanDerWaalsContact OD1-OE1 3.11Å; D255-A258 HydrophobicContact CB-CB 4.14Å; D255-A258 PolarHBondContact OD1-N 3.33Å; D255-G259 PolarHBondContact N-O 3.12Å; D255-G259 VanDerWaalsContact O-CA 3.27Å; D255-G259 WeakPolarHBondContact O-CA 3.27Å; D255-G259 PolarHBondContact O-N 3.47Å; D255-L261 HydrophobicContact CB-CD2 3.66Å |
| 256 | A | 82.9 | Confident | 94 | Very high | 97 Ų | 97 | 45.6 Ų | 45.6 | 80% | 0.802 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -24.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 257 | Q | 83.5 | Confident | 94.1 | Very high | 165 Ų | 165 | 46.1 Ų | 46.1 | 77% | 0.771 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100 | -43.9 | -177.4 | -64.6 | 76.6 | 17.9 | 0 | 0 | 111.8 | D255 | D255-Q257 PolarHBondContact O-N 2.92Å; D255-Q257 WeakPolarHBondContact OD1-CA 3.15Å; D255-Q257 WeakPolarHBondContact OD1-CB 3.31Å; D255-Q257 PolarHBondContact OD1-N 3.07Å; D255-Q257 PolarHBondContact OD1-OE1 3.42Å; D255-Q257 VanDerWaalsContact OD1-OE1 3.11Å |
| 258 | A | 86.3 | Confident | 94.1 | Very high | 68 Ų | 68 | 46 Ų | 46 | 56% | 0.562 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | -7.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | D255 L261 | D255-A258 HydrophobicContact CB-CB 4.14Å; D255-A258 PolarHBondContact OD1-N 3.33Å; A258-L261 HydrophobicContact CB-CD2 3.49Å; A258-L261 VanDerWaalsContact CB-CD2 3.49Å |
| 259 | G | 90.8 | Very high | 94.1 | Very high | 21 Ų | 21 | 41.4 Ų | 41.4 | 22% | 0.216 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 75.4 | -130.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | D255 | D255-G259 PolarHBondContact N-O 3.12Å; D255-G259 VanDerWaalsContact O-CA 3.27Å; D255-G259 WeakPolarHBondContact O-CA 3.27Å; D255-G259 PolarHBondContact O-N 3.47Å |
| 260 | V | 94 | Very high | 94.1 | Very high | 37 Ų | 37 | 43 Ų | 43 | 22% | 0.224 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 123.7 | -177.2 | -169.2 | 0 | 0 | 0 | 0 | 109.9 | A177 L228 L231 I252 L254 | A177-V260 HydrophobicContact CB-CG2 3.6Å; L228-V260 HydrophobicContact CB-CB 4.47Å; L228-V260 HydrophobicContact CB-CG1 3.95Å; L228-V260 HydrophobicContact CD1-CG1 4.14Å; L231-V260 HydrophobicContact CD1-CG1 4.02Å; L231-V260 HydrophobicContact CD1-CG2 4.44Å; L231-V260 HydrophobicContact CD2-CG1 3.81Å; L231-V260 HydrophobicContact CG-CG1 4.37Å; I252-V260 HydrophobicContact CG2-CG1 3.74Å; L254-V260 HydrophobicContact CD2-CB 4.27Å; L254-V260 HydrophobicContact CD2-CG1 4.16Å; L254-V260 HydrophobicContact CD2-CG2 3.65Å |
| 261 | L | 93.5 | Very high | 94.1 | Very high | 50 Ų | 50 | 43.1 Ų | 43.1 | 26% | 0.262 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 161.2 | 179.9 | 63.7 | 100.3 | 0 | 0 | 0 | 112.8 | V253 D255 A258 D263 | V253-L261 HydrophobicContact CG2-CD1 3.29Å; V253-L261 HydrophobicContact CG2-CD2 4.32Å; V253-L261 HydrophobicContact CG2-CG 3.51Å; V253-L261 PolarHBondContact N-O 3.26Å; V253-L261 PolarHBondContact O-N 2.84Å; V253-L261 VanDerWaalsContact O-N 3.07Å; D255-L261 HydrophobicContact CB-CD2 3.66Å; A258-L261 HydrophobicContact CB-CD2 3.49Å; A258-L261 VanDerWaalsContact CB-CD2 3.49Å; L261-D263 HydrophobicContact CD1-CB 4.21Å |
| 262 | L | 95.3 | Very high | 94 | Very high | 48 Ų | 48 | 48.9 Ų | 48.9 | 25% | 0.251 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 132.6 | 169.7 | -65.5 | -176.2 | 0 | 0 | 0 | 110 | M219 L228 C250 V251 I252 | M219-L262 HydrophobicContact CG-CD1 4.18Å; M219-L262 HydrophobicContact CG-CD2 3.76Å; M219-L262 HydrophobicContact SD-CD2 3.33Å; M219-L262 WeakPolarHBondContact SD-CD2 3.46Å; L228-L262 HydrophobicContact CD1-CG 4.31Å; L228-L262 HydrophobicContact CD2-CD2 3.95Å; L228-L262 HydrophobicContact CD2-CG 4.39Å; C250-L262 HydrophobicContact CB-CB 4Å; C250-L262 HydrophobicContact CB-CD2 4.45Å; V251-L262 WeakPolarHBondContact O-CA 3.19Å; I252-L262 HydrophobicContact CG1-CD2 3.92Å |
| 263 | D | 96.1 | Very high | 94 | Very high | 9 Ų | 9 | 50.4 Ų | 50.4 | 5% | 0.048 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 124.6 | -179.9 | -167.8 | 5 | 0 | 0 | 0 | 110.5 | T202 Q203 S204 C250 V251 V253 L261 | T202-D263 WeakPolarHBondContact CB-OD2 3.02Å; T202-D263 PolarHBondContact OG1-OD2 3.18Å; Q203-D263 WeakPolarHBondContact CB-OD1 3.09Å; Q203-D263 PolarHBondContact N-OD1 2.83Å; S204-D263 WeakPolarHBondContact CB-OD2 3.3Å; S204-D263 PolarHBondContact N-OD1 3.32Å; S204-D263 PolarHBondContact N-OD2 3.05Å; S204-D263 PolarHBondContact OG-OD2 2.9Å; C250-D263 VanDerWaalsContact CA-O 3.27Å; C250-D263 WeakPolarHBondContact CA-O 3.27Å; C250-D263 VanDerWaalsContact SG-C 3.55Å; V251-D263 HydrophobicContact CG2-CB 4.42Å; V251-D263 PolarHBondContact N-O 2.92Å; V251-D263 PolarHBondContact O-N 3.44Å; V253-D263 HydrophobicContact CB-CB 4.4Å; V253-D263 HydrophobicContact CG1-CB 3.62Å; V253-D263 HydrophobicContact CG2-CB 3.83Å; L261-D263 HydrophobicContact CD1-CB 4.21Å |
| 264 | R | 97.7 | Very high | 93.7 | Very high | 103 Ų | 103 | 57.9 Ų | 57.9 | 39% | 0.389 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 134.8 | -171.6 | -176.1 | 172 | -168 | -160.1 | 7.2 | 110.5 | T202 Q203 T247 E248 C250 T266 | T202-R264 CarbonylContact C-O 3.45Å; T202-R264 WeakPolarHBondContact CA-O 3.25Å; Q203-R264 HydrophobicContact CB-CB 4.45Å; Q203-R264 PolarHBondContact N-O 3.15Å; T247-R264 PolarHBondContact O-NE 3.34Å; T247-R264 PolarHBondContact O-NH2 2.79Å; T247-R264 VanDerWaalsContact O-NH2 3.13Å; E248-R264 IonicContact OE1-NH2 2.94Å; E248-R264 PolarHBondContact OE1-NH2 2.89Å; E248-R264 IonicContact OE2-NH2 3.49Å; E248-R264 PolarHBondContact OE2-NH2 2.85Å; C250-R264 WeakPolarHBondContact SG-CA 3.38Å; C250-R264 PolarHBondContact SG-N 2.81Å; R264-T266 PolarHBondContact O-N 2.87Å |
| 265 | I | 98.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 120.3 | 169.8 | -59.4 | 178.3 | 0 | 0 | 0 | 108.5 | L200 T201 L218 A245 T247 H249 V251 T267 V268 | L200-I265 HydrophobicContact CD1-CD1 4.24Å; T201-I265 CarbonylContact O-C 3.59Å; L218-I265 HydrophobicContact CD2-CD1 3.91Å; A245-I265 HydrophobicContact CB-CD1 3.94Å; T247-I265 VanDerWaalsContact CA-O 3.28Å; T247-I265 WeakPolarHBondContact CA-O 3.17Å; H249-I265 HydrophobicContact CB-CD1 4.19Å; H249-I265 PolarHBondContact O-N 3.22Å; V251-I265 HydrophobicContact CG1-CD1 3.97Å; V251-I265 HydrophobicContact CG1-CG1 4.1Å; I265-T267 WeakPolarHBondContact CG2-O 3.36Å; I265-V268 HydrophobicContact CG2-CG2 3.67Å |
| 266 | T | 98.2 | Very high | 94 | Very high | 66 Ų | 66 | 55.7 Ų | 55.7 | 41% | 0.405 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | -30.4 | 178 | 54.9 | 0 | 0 | 0 | 0 | 112 | T201 T202 Q203 T247 R264 | T201-T266 PolarHBondContact O-N 2.85Å; T201-T266 PolarHBondContact O-OG1 2.83Å; T201-T266 VanDerWaalsContact O-OG1 3.1Å; T202-T266 PolarHBondContact O-OG1 3.07Å; Q203-T266 HydrophobicContact CB-CG2 3.89Å; T247-T266 WeakPolarHBondContact CG2-O 3.28Å; R264-T266 PolarHBondContact O-N 2.87Å |
| 267 | T | 97.8 | Very high | 94.6 | Very high | 64 Ų | 64 | 51.2 Ų | 51.2 | 39% | 0.393 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 143.5 | 176.7 | 72.4 | 0 | 0 | 0 | 0 | 111.8 | T201 I265 | T201-T267 WeakPolarHBondContact CB-OG1 3.27Å; T201-T267 PolarHBondContact N-O 2.93Å; T201-T267 PolarHBondContact O-N 2.78Å; T201-T267 PolarHBondContact OG1-OG1 2.82Å; I265-T267 WeakPolarHBondContact CG2-O 3.36Å |
| 268 | V | 98 | Very high | 95.1 | Very high | 58 Ų | 58 | 43.4 Ų | 43.4 | 35% | 0.352 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 109.4 | 170 | -177.5 | 0 | 0 | 0 | 0 | 106.8 | I198 L200 I265 | I198-V268 HydrophobicContact CG2-CG1 4.02Å; L200-V268 HydrophobicContact CD2-CB 4.29Å; L200-V268 HydrophobicContact CD2-CG1 3.89Å; L200-V268 HydrophobicContact CD2-CG2 3.88Å; I265-V268 HydrophobicContact CG2-CG2 3.67Å |
| 269 | G | 96.8 | Very high | 95.5 | Very high | 6 Ų | 6 | 40.1 Ų | 40.1 | 6% | 0.062 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 176.9 | -180 | 0 | 0 | 0 | 0 | 0 | 112.2 | I198 V199 | I198-G269 WeakPolarHBondContact CA-O 3.27Å; V199-G269 PolarHBondContact N-O 3.04Å; V199-G269 PolarHBondContact O-N 3.05Å |
| 270 | R | 96.2 | Very high | 95.6 | Very high | 55 Ų | 55 | 39.1 Ų | 39.1 | 21% | 0.208 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 147.6 | 172.2 | -70.7 | 179.1 | 165.2 | -161.3 | -8.7 | 110.3 | I23 K24 P27 Y28 L29 F197 | I23-R270 PolarHBondContact O-NH1 3.16Å; I23-R270 PolarHBondContact O-NH2 3.25Å; K24-R270 PolarHBondContact O-NH1 2.9Å; P27-R270 PolarHBondContact O-N 3.09Å; Y28-R270 CarbonylContact C-O 3.6Å; Y28-R270 VanDerWaalsContact CA-O 3.23Å; Y28-R270 WeakPolarHBondContact CA-O 3.32Å; Y28-R270 HydrophobicContact CD1-CB 4.21Å; Y28-R270 HydrophobicContact CE1-CB 4.35Å; L29-R270 PolarHBondContact N-O 3.21Å; F197-R270 CarbonylContact O-C 3.58Å; F197-R270 VanDerWaalsContact O-CA 3.31Å; F197-R270 WeakPolarHBondContact O-CA 3.3Å |
| 271 | V | 96.8 | Very high | 95.5 | Very high | 5 Ų | 5 | 37.4 Ų | 37.4 | 3% | 0.03 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 146.3 | 174.4 | 70.9 | 0 | 0 | 0 | 0 | 109.3 | F197 V199 T209 K273 | F197-V271 HydrophobicContact CB-CG1 4.08Å; F197-V271 PolarHBondContact N-O 2.87Å; F197-V271 PolarHBondContact O-N 2.88Å; V199-V271 HydrophobicContact CG2-CB 3.87Å; V199-V271 HydrophobicContact CG2-CG1 3.32Å; T209-V271 HydrophobicContact CG2-CG1 3.96Å; V271-K273 HydrophobicContact CG1-CD 4.02Å; V271-K273 HydrophobicContact CG1-CG 3.96Å; V271-K273 HydrophobicContact CG2-CG 4.05Å |
| 272 | R | 95.8 | Very high | 95.4 | Very high | 125 Ų | 125 | 36.7 Ų | 36.7 | 47% | 0.472 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 116 | 170 | -167 | 166.1 | -175.6 | 100.1 | -3.5 | 108.9 | E194 T195 D196 | E194-R272 HydrophobicContact CB-CG 4.49Å; E194-R272 IonicContact OE2-NE 3.79Å; T195-R272 WeakPolarHBondContact O-CA 3.49Å; D196-R272 WeakPolarHBondContact OD1-CD 3.4Å; D196-R272 WeakPolarHBondContact OD1-CG 3.09Å; D196-R272 IonicContact OD1-CZ 2.76Å; D196-R272 IonicContact OD1-NH1 2.82Å; D196-R272 PolarHBondContact OD1-NH1 3.21Å; D196-R272 IonicContact OD2-NH1 2.95Å; D196-R272 PolarHBondContact OD2-NH1 2.85Å |
| 273 | K | 95 | Very high | 95.1 | Very high | 32 Ų | 32 | 34.5 Ų | 34.5 | 14% | 0.139 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 156.5 | -178.5 | -77.6 | -174 | 178.9 | 176.6 | 0 | 111.7 | D31 D152 E194 T195 F197 T209 V271 | D31-K273 WeakPolarHBondContact OD1-CE 3.45Å; D31-K273 IonicContact OD1-NZ 3.85Å; D31-K273 WeakPolarHBondContact OD2-CE 3.4Å; D152-K273 IonicContact OD1-NZ 2.74Å; D152-K273 IonicContact OD2-NZ 3.74Å; D152-K273 PolarHBondContact OD2-NZ 2.85Å; E194-K273 WeakPolarHBondContact CA-O 3.19Å; T195-K273 PolarHBondContact N-O 3.44Å; T195-K273 PolarHBondContact O-N 3.09Å; F197-K273 HydrophobicContact CD2-CB 3.87Å; F197-K273 HydrophobicContact CE2-CB 3.94Å; T209-K273 HydrophobicContact CG2-CD 4.21Å; V271-K273 HydrophobicContact CG1-CD 4.02Å; V271-K273 HydrophobicContact CG1-CG 3.96Å; V271-K273 HydrophobicContact CG2-CG 4.05Å |
| 274 | R | 91.4 | Very high | 94.8 | Very high | 158 Ų | 158 | 34.1 Ų | 34.1 | 60% | 0.596 | 16% | 0.159 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 140.4 | 171.9 | -93.2 | -172.1 | -93.8 | -91.2 | -9.6 | 111.5 | S151 V193 E194 | S151-R274 PolarHBondContact OG-O 2.95Å; V193-R274 CarbonylContact O-C 3.55Å; V193-R274 WeakPolarHBondContact O-CA 3.27Å; E194-R274 HydrophobicContact CG-CG 3.42Å; E194-R274 VanDerWaalsContact CG-CG 3.42Å; E194-R274 IonicContact OE1-CZ 3.84Å; E194-R274 VanDerWaalsContact OE1-CZ 3.27Å; E194-R274 IonicContact OE1-NH1 3.27Å; E194-R274 PolarHBondContact OE1-NH1 3.11Å; E194-R274 IonicContact OE1-NH2 2.77Å |
| 275 | G | 94.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 89.3 | 131.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | S151 N190 V193 F197 | S151-G275 WeakPolarHBondContact OG-CA 3.39Å; N190-G275 CarbonylContact O-C 3.43Å; N190-G275 WeakPolarHBondContact O-CA 3.26Å; V193-G275 PolarHBondContact O-N 2.88Å; F197-G275 WeakPolarHBondContact CZ-O 3.38Å |
| 276 | V | 94.6 | Very high | 94.4 | Very high | 3 Ų | 3 | 29.2 Ų | 29.2 | 2% | 0.018 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 131 | 176 | -62.7 | 0 | 0 | 0 | 0 | 109.9 | L143 C148 H188 N190 V193 T195 F197 | L143-V276 HydrophobicContact CD1-CB 4.35Å; L143-V276 HydrophobicContact CD1-CG1 3.93Å; L143-V276 HydrophobicContact CD1-CG2 4.4Å; C148-V276 HydrophobicContact CB-CB 3.84Å; C148-V276 HydrophobicContact CB-CG1 4.3Å; H188-V276 HydrophobicContact CB-CG2 4.36Å; N190-V276 HydrophobicContact CB-CG2 4.09Å; N190-V276 PolarHBondContact N-O 2.88Å; N190-V276 PolarHBondContact O-N 3.21Å; V193-V276 HydrophobicContact CG1-CB 4.09Å; V193-V276 HydrophobicContact CG1-CG1 3.72Å; V193-V276 HydrophobicContact CG1-CG2 3.42Å; V193-V276 VanDerWaalsContact CG1-CG2 3.42Å; T195-V276 HydrophobicContact CG2-CG1 4.15Å; T195-V276 WeakPolarHBondContact OG1-CG1 3.4Å; F197-V276 HydrophobicContact CZ-CG1 3.88Å |
| 277 | F | 95.6 | Very high | 94.3 | Very high | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.009 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 131.6 | -177.1 | -62.4 | -92 | 0 | 0 | 0 | 110.4 | C148 F149 S151 M164 D165 M186 H188 R189 P191 | C148-F277 CarbonylContact C-O 3.53Å; C148-F277 WeakPolarHBondContact CA-O 3.27Å; F149-F277 PolarHBondContact N-O 3.37Å; F149-F277 PolarHBondContact O-N 2.98Å; S151-F277 WeakPolarHBondContact OG-CE2 3.37Å; M164-F277 HydrophobicContact CB-CB 4.15Å; M164-F277 HydrophobicContact CB-CD2 4.35Å; M164-F277 HydrophobicContact CB-CG 4.25Å; M164-F277 HydrophobicContact CG-CB 3.32Å; M164-F277 HydrophobicContact CG-CD2 4.4Å; M164-F277 HydrophobicContact CG-CG 3.91Å; M164-F277 WeakPolarHBondContact O-CD1 3.11Å; D165-F277 VanDerWaalsContact CA-CZ 3.48Å; D165-F277 HydrophobicContact CB-CE1 4.24Å; D165-F277 HydrophobicContact CB-CE2 3.95Å; D165-F277 HydrophobicContact CB-CZ 3.6Å; M186-F277 HydrophobicContact SD-CB 4.45Å; H188-F277 CarbonylContact O-C 3.57Å; H188-F277 VanDerWaalsContact O-CA 3.27Å; H188-F277 WeakPolarHBondContact O-CA 3.32Å; R189-F277 HydrophobicContact CG-CD1 3.79Å; R189-F277 HydrophobicContact CG-CE1 3.57Å; P191-F277 HydrophobicContact CB-CZ 4.06Å |
| 278 | S | 94.5 | Very high | 94.3 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.007 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 76.6 | -179.5 | -172.5 | 0 | 0 | 0 | 0 | 110.1 | G147 M186 I187 H188 | G147-S278 VanDerWaalsContact O-CB 3.27Å; G147-S278 WeakPolarHBondContact O-CB 3.28Å; G147-S278 PolarHBondContact O-OG 3.13Å; M186-S278 CarbonylContact C-O 3.56Å; M186-S278 WeakPolarHBondContact CA-O 3.29Å; M186-S278 VanDerWaalsContact SD-C 3.53Å; I187-S278 PolarHBondContact N-O 3.27Å; H188-S278 PolarHBondContact O-N 2.95Å |
| 279 | P | 94.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 144.3 | 177 | 29.9 | -35 | 0 | 0 | 0 | 110.9 | M164 L167 V183 M186 L286 C295 | M164-P279 HydrophobicContact SD-CG 3.76Å; L167-P279 HydrophobicContact CD2-CB 3.8Å; L167-P279 HydrophobicContact CD2-CG 3.92Å; V183-P279 HydrophobicContact CG1-CB 3.85Å; M186-P279 HydrophobicContact CE-CB 3.78Å; M186-P279 WeakPolarHBondContact SD-CA 3.36Å; M186-P279 HydrophobicContact SD-CB 3.76Å; M186-P279 HydrophobicContact SD-CG 4.34Å; P279-L286 HydrophobicContact CG-CD2 3.71Å; P279-C295 WeakPolarHBondContact O-CB 3.3Å; P279-C295 PolarHBondContact O-SG 3.19Å |
| 280 | V | 91.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 135.1 | 179.1 | -177.3 | 0 | 0 | 0 | 0 | 110.2 | D184 T185 I187 C295 F296 | D184-V280 PolarHBondContact N-O 2.99Å; T185-V280 HydrophobicContact CG2-CB 3.74Å; T185-V280 HydrophobicContact CG2-CG1 4.4Å; T185-V280 HydrophobicContact CG2-CG2 4.02Å; T185-V280 PolarHBondContact N-O 3.48Å; T185-V280 PolarHBondContact O-N 3.49Å; I187-V280 HydrophobicContact CD1-CG2 3.51Å; I187-V280 HydrophobicContact CG1-CG2 3.69Å; V280-C295 HydrophobicContact CG2-CB 4.41Å; V280-F296 HydrophobicContact CG1-CE1 3.88Å; V280-F296 HydrophobicContact CG1-CZ 3.68Å; V280-F296 HydrophobicContact CG2-CE1 4.19Å |
| 281 | T | 93.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 163.3 | 174.5 | 70.5 | 0 | 0 | 0 | 0 | 110 | V173 V175 Q283 G284 T285 L286 | V173-T281 HydrophobicContact CG2-CG2 3.85Å; V175-T281 HydrophobicContact CG1-CG2 3.66Å; T281-Q283 PolarHBondContact O-N 3.49Å; T281-G284 PolarHBondContact O-N 2.86Å; T281-G284 PolarHBondContact OG1-N 3.25Å; T281-T285 PolarHBondContact OG1-O 2.74Å; T281-L286 HydrophobicContact CG2-CD1 4.38Å |
| 282 | S | 89.8 | Confident | 94.2 | Very high | 35 Ų | 35 | 20.7 Ų | 20.7 | 25% | 0.245 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -19.4 | 176.4 | -74.3 | 0 | 0 | 0 | 0 | 113.8 | D184 L306 K310 K313 | D184-S282 WeakPolarHBondContact OD2-CB 3.23Å; D184-S282 PolarHBondContact OD2-N 2.76Å; D184-S282 VanDerWaalsContact OD2-N 3.08Å; D184-S282 PolarHBondContact OD2-OG 2.77Å; S282-L306 WeakPolarHBondContact O-CD1 3.43Å; S282-K310 WeakPolarHBondContact O-CE 3.45Å; S282-K313 PolarHBondContact OG-NZ 2.91Å |
| 283 | Q | 88.7 | Confident | 94.2 | Very high | 3 Ų | 3 | 14.7 Ų | 14.7 | 1% | 0.014 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -26.8 | 172.2 | -157.1 | 157.2 | -27.3 | 0 | 0 | 112.6 | V175 D176 E232 T281 T285 L306 | V175-Q283 HydrophobicContact CG2-CB 4.45Å; D176-Q283 PolarHBondContact OD2-NE2 3.47Å; E232-Q283 HydrophobicContact CG-CG 4.3Å; E232-Q283 PolarHBondContact OE2-NE2 3.22Å; T281-Q283 PolarHBondContact O-N 3.49Å; Q283-T285 HydrophobicContact CG-CG2 4.41Å; Q283-T285 VanDerWaalsContact CG-OG1 3.3Å; Q283-T285 WeakPolarHBondContact CG-OG1 3.43Å; Q283-L306 WeakPolarHBondContact O-CD2 3.43Å |
| 284 | G | 90 | Very high | 94.1 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 6% | 0.061 | C | C | . | . | S | Bend | trans | 78.5 | 8.3 | -170 | 0 | 0 | 0 | 0 | 0 | 114.1 | T281 S294 C295 H302 | T281-G284 PolarHBondContact O-N 2.86Å; T281-G284 PolarHBondContact OG1-N 3.25Å; G284-S294 CarbonylContact O-C 3.5Å; G284-S294 PolarHBondContact O-OG 3.04Å; G284-C295 VanDerWaalsContact C-SG 3.53Å; G284-C295 PolarHBondContact O-N 3.2Å; G284-H302 PolarHBondContact O-CE1 2.84Å |
| 285 | T | 93.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 5.7 Ų | 5.7 | 0% | 0 | 3% | 0.033 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 160.5 | 178.2 | 61 | 0 | 0 | 0 | 0 | 110.6 | V175 A235 T281 Q283 F292 V293 | V175-T285 VanDerWaalsContact CG1-O 3.25Å; V175-T285 WeakPolarHBondContact CG1-O 3.28Å; V175-T285 PolarHBondContact O-OG1 2.82Å; A235-T285 HydrophobicContact CB-CG2 3.8Å; T281-T285 PolarHBondContact OG1-O 2.74Å; Q283-T285 HydrophobicContact CG-CG2 4.41Å; Q283-T285 VanDerWaalsContact CG-OG1 3.3Å; Q283-T285 WeakPolarHBondContact CG-OG1 3.43Å; T285-F292 HydrophobicContact CG2-CE1 4.49Å; T285-F292 HydrophobicContact CG2-CE2 3.96Å; T285-F292 HydrophobicContact CG2-CZ 3.59Å; T285-V293 CarbonylContact C-O 3.36Å; T285-V293 VanDerWaalsContact CA-O 3.31Å; T285-V293 WeakPolarHBondContact CA-O 3.44Å |
| 286 | L | 95.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 3% | 0.034 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 156.7 | 179 | -169.7 | 62.8 | 0 | 0 | 0 | 109.5 | F149 V155 M164 V173 P279 T281 V288 V293 | F149-L286 HydrophobicContact CE2-CD2 4.07Å; V155-L286 HydrophobicContact CG1-CD1 4Å; V155-L286 HydrophobicContact CG1-CD2 3.78Å; V155-L286 HydrophobicContact CG1-CG 3.97Å; M164-L286 HydrophobicContact CE-CD2 4.4Å; V173-L286 HydrophobicContact CB-CD1 3.86Å; V173-L286 HydrophobicContact CG2-CD1 3.36Å; P279-L286 HydrophobicContact CG-CD2 3.71Å; T281-L286 HydrophobicContact CG2-CD1 4.38Å; L286-V288 HydrophobicContact CB-CG2 4.31Å; L286-V288 HydrophobicContact CD2-CG2 3.49Å; L286-V288 VanDerWaalsContact CD2-CG2 3.49Å; L286-V288 HydrophobicContact CG-CG2 3.7Å; L286-V293 HydrophobicContact CB-CG2 4.07Å; L286-V293 PolarHBondContact N-O 2.94Å; L286-V293 VanDerWaalsContact O-CG2 3.25Å; L286-V293 WeakPolarHBondContact O-CG2 3.45Å; L286-V293 PolarHBondContact O-N 3.03Å |
| 287 | V | 96.2 | Very high | 92.2 | Very high | 1 Ų | 1 | 5.9 Ų | 5.9 | 1% | 0.006 | 3% | 0.034 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 116.4 | 169.1 | -178.3 | 0 | 0 | 0 | 0 | 108.4 | L174 L254 V291 F292 | L174-V287 HydrophobicContact CB-CB 4.19Å; L174-V287 HydrophobicContact CB-CG2 4.31Å; L174-V287 HydrophobicContact CD2-CB 4.18Å; L174-V287 HydrophobicContact CD2-CG1 4.18Å; L174-V287 HydrophobicContact CD2-CG2 4.13Å; L174-V287 HydrophobicContact CG-CB 4.27Å; L174-V287 HydrophobicContact CG-CG2 3.98Å; L174-V287 WeakPolarHBondContact O-CB 3.45Å; L174-V287 PolarHBondContact O-N 3.34Å; L254-V287 HydrophobicContact CD1-CB 4.23Å; L254-V287 HydrophobicContact CD1-CG1 3.9Å; L254-V287 HydrophobicContact CD1-CG2 3.36Å; L254-V287 HydrophobicContact CG-CG1 4.45Å; L254-V287 HydrophobicContact CG-CG2 4.42Å; V287-V291 CarbonylContact C-O 3.58Å; V287-V291 WeakPolarHBondContact CA-O 3.45Å; V287-F292 HydrophobicContact CG2-CD2 4.42Å |
| 288 | V | 97.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 6% | 0.055 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 122.4 | -174.4 | -177.7 | 0 | 0 | 0 | 0 | 109.4 | F149 M153 Q154 V155 M164 L208 L286 D290 V291 V293 | F149-V288 HydrophobicContact CD1-CG1 4.2Å; F149-V288 HydrophobicContact CD1-CG2 4.37Å; F149-V288 HydrophobicContact CE1-CB 4.3Å; F149-V288 HydrophobicContact CE1-CG1 4.34Å; F149-V288 HydrophobicContact CE1-CG2 3.89Å; F149-V288 HydrophobicContact CE2-CG2 4.23Å; F149-V288 HydrophobicContact CZ-CG2 3.81Å; M153-V288 HydrophobicContact CB-CG1 3.64Å; M153-V288 HydrophobicContact CG-CG1 4.13Å; M153-V288 HydrophobicContact SD-CG1 4.31Å; Q154-V288 CarbonylContact O-C 3.6Å; Q154-V288 VanDerWaalsContact O-CA 3.3Å; Q154-V288 WeakPolarHBondContact O-CA 3.4Å; V155-V288 HydrophobicContact CG1-CG2 4.13Å; M164-V288 HydrophobicContact CE-CG1 3.94Å; M164-V288 HydrophobicContact CE-CG2 3.91Å; L208-V288 HydrophobicContact CD1-CB 3.84Å; L208-V288 HydrophobicContact CD1-CG1 3.78Å; L286-V288 HydrophobicContact CB-CG2 4.31Å; L286-V288 HydrophobicContact CD2-CG2 3.49Å; L286-V288 VanDerWaalsContact CD2-CG2 3.49Å; L286-V288 HydrophobicContact CG-CG2 3.7Å; V288-D290 PolarHBondContact O-N 2.85Å; V288-V291 PolarHBondContact N-O 3.48Å; V288-V291 WeakPolarHBondContact O-CB 3.31Å; V288-V291 PolarHBondContact O-N 3.41Å; V288-V293 HydrophobicContact CB-CG2 4.2Å; V288-V293 HydrophobicContact CG2-CG2 3.72Å |
| 289 | N | 97.2 | Very high | 88.6 | Confident | 35 Ų | 35 | 13 Ų | 13 | 19% | 0.187 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.3 | 43.1 | -171.4 | -66.8 | -4.5 | 0 | 0 | 0 | 111.8 | M153 Q154 S207 V291 | M153-N289 WeakPolarHBondContact CE-ND2 3.44Å; M153-N289 PolarHBondContact SD-ND2 3.31Å; M153-N289 VanDerWaalsContact SD-ND2 3.35Å; Q154-N289 WeakPolarHBondContact CB-OD1 3.25Å; Q154-N289 PolarHBondContact N-OD1 3.5Å; Q154-N289 PolarHBondContact O-N 2.89Å; Q154-N289 PolarHBondContact O-OD1 3.4Å; S207-N289 WeakPolarHBondContact O-CB 3.36Å; S207-N289 PolarHBondContact O-ND2 3.33Å; N289-V291 PolarHBondContact O-N 2.92Å; N289-V291 VanDerWaalsContact O-N 3.16Å |
| 290 | D | 96.4 | Very high | 86.5 | Confident | 36 Ų | 36 | 21 Ų | 21 | 19% | 0.193 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | 8.5 | -176.7 | -53.5 | -32.8 | 0 | 0 | 0 | 115.7 | Y161 R206 V253 L254 V288 | Y161-D290 PolarHBondContact OH-OD1 2.9Å; Y161-D290 VanDerWaalsContact OH-OD1 3.09Å; R206-D290 IonicContact NE-OD2 3.77Å; V253-D290 CarbonylContact C-O 3.6Å; V253-D290 VanDerWaalsContact CA-O 3.27Å; V253-D290 WeakPolarHBondContact CA-O 3.48Å; L254-D290 PolarHBondContact N-O 2.56Å; V288-D290 PolarHBondContact O-N 2.85Å |
| 291 | V | 97 | Very high | 85.1 | Confident | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.012 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 130.3 | 174.1 | -170.8 | 0 | 0 | 0 | 0 | 109.6 | R206 L208 V251 V253 V287 V288 N289 V293 | R206-V291 HydrophobicContact CB-CG2 4.26Å; L208-V291 HydrophobicContact CD1-CB 4.42Å; L208-V291 HydrophobicContact CD2-CG1 4.31Å; V251-V291 HydrophobicContact CB-CG1 3.85Å; V251-V291 HydrophobicContact CG1-CG1 4.44Å; V251-V291 HydrophobicContact CG2-CG1 3.85Å; V253-V291 HydrophobicContact CG1-CG2 4.17Å; V287-V291 CarbonylContact C-O 3.58Å; V287-V291 WeakPolarHBondContact CA-O 3.45Å; V288-V291 PolarHBondContact N-O 3.48Å; V288-V291 WeakPolarHBondContact O-CB 3.31Å; V288-V291 PolarHBondContact O-N 3.41Å; N289-V291 PolarHBondContact O-N 2.92Å; N289-V291 VanDerWaalsContact O-N 3.16Å; V291-V293 HydrophobicContact CB-CG1 4.47Å; V291-V293 HydrophobicContact CG1-CG1 4.15Å |
| 292 | F | 96 | Very high | 83.7 | Confident | 1 Ų | 1 | 24 Ų | 24 | 0% | 0.004 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 124.2 | 175.8 | 174.5 | -94.4 | 0 | 0 | 0 | 110.8 | V175 P217 L231 A235 I252 T285 V287 | V175-F292 VanDerWaalsContact O-CE2 3.29Å; V175-F292 WeakPolarHBondContact O-CE2 3.42Å; P217-F292 HydrophobicContact CG-CD1 3.92Å; P217-F292 HydrophobicContact CG-CE1 3.94Å; L231-F292 HydrophobicContact CB-CD1 4.45Å; L231-F292 HydrophobicContact CB-CD2 4.23Å; L231-F292 HydrophobicContact CB-CE1 3.97Å; L231-F292 HydrophobicContact CB-CE2 3.71Å; L231-F292 HydrophobicContact CB-CZ 3.57Å; L231-F292 HydrophobicContact CD1-CD2 3.93Å; L231-F292 HydrophobicContact CD1-CE2 4.23Å; L231-F292 HydrophobicContact CD1-CG 4.16Å; L231-F292 VanDerWaalsContact O-CE1 3.31Å; L231-F292 WeakPolarHBondContact O-CE1 3.45Å; L231-F292 VanDerWaalsContact O-CZ 3.25Å; L231-F292 WeakPolarHBondContact O-CZ 3.3Å; A235-F292 HydrophobicContact CB-CE1 3.88Å; A235-F292 HydrophobicContact CB-CZ 4.02Å; I252-F292 HydrophobicContact CB-CB 4.12Å; I252-F292 HydrophobicContact CB-CD1 4.45Å; I252-F292 HydrophobicContact CD1-CD1 4.15Å; I252-F292 HydrophobicContact CG2-CB 4.03Å; I252-F292 PolarHBondContact O-N 3.4Å; T285-F292 HydrophobicContact CG2-CE1 4.49Å; T285-F292 HydrophobicContact CG2-CE2 3.96Å; T285-F292 HydrophobicContact CG2-CZ 3.59Å; V287-F292 HydrophobicContact CG2-CD2 4.42Å |
| 293 | V | 94.8 | Very high | 82.9 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 161.4 | -170.8 | -61.7 | 0 | 0 | 0 | 0 | 111.9 | F149 L208 I216 T285 L286 V288 V291 | F149-V293 HydrophobicContact CE1-CG2 4Å; F149-V293 HydrophobicContact CZ-CB 4.43Å; F149-V293 HydrophobicContact CZ-CG2 3.62Å; L208-V293 HydrophobicContact CD1-CG1 4.19Å; L208-V293 HydrophobicContact CD2-CG1 3.6Å; I216-V293 HydrophobicContact CG2-CB 4.22Å; I216-V293 HydrophobicContact CG2-CG1 3.91Å; T285-V293 CarbonylContact C-O 3.36Å; T285-V293 VanDerWaalsContact CA-O 3.31Å; T285-V293 WeakPolarHBondContact CA-O 3.44Å; L286-V293 HydrophobicContact CB-CG2 4.07Å; L286-V293 PolarHBondContact N-O 2.94Å; L286-V293 VanDerWaalsContact O-CG2 3.25Å; L286-V293 WeakPolarHBondContact O-CG2 3.45Å; L286-V293 PolarHBondContact O-N 3.03Å; V288-V293 HydrophobicContact CB-CG2 4.2Å; V288-V293 HydrophobicContact CG2-CG2 3.72Å; V291-V293 HydrophobicContact CB-CG1 4.47Å; V291-V293 HydrophobicContact CG1-CG1 4.15Å |
| 294 | S | 92.4 | Very high | 82.3 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 161.8 | 168.7 | -170.3 | 0 | 0 | 0 | 0 | 111.2 | H214 L215 G284 F296 H302 | H214-S294 PolarHBondContact NE2-O 3.37Å; L215-S294 WeakPolarHBondContact O-CB 3.35Å; L215-S294 PolarHBondContact O-N 3.41Å; G284-S294 CarbonylContact O-C 3.5Å; G284-S294 PolarHBondContact O-OG 3.04Å; S294-F296 PolarHBondContact OG-N 3.42Å; S294-H302 PolarHBondContact OG-CE1 3.44Å; S294-H302 PolarHBondContact OG-ND1 3.48Å |
| 295 | C | 91.2 | Very high | 81.4 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -88.3 | -0.8 | 170.6 | -65.7 | 0 | 0 | 0 | 0 | 113.8 | P279 V280 G284 | P279-C295 WeakPolarHBondContact O-CB 3.3Å; P279-C295 PolarHBondContact O-SG 3.19Å; V280-C295 HydrophobicContact CG2-CB 4.41Å; G284-C295 VanDerWaalsContact C-SG 3.53Å; G284-C295 PolarHBondContact O-N 3.2Å |
| 296 | F | 79.9 | Confident | 80.7 | Confident | 6 Ų | 6 | 33.3 Ų | 33.3 | 3% | 0.026 | 17% | 0.168 | C | C | . | . | trans | -127.4 | 164.5 | -153 | -78.2 | -45.2 | 0 | 0 | 0 | 113.9 | I187 L215 V280 S294 Q305 L306 H309 | I187-F296 HydrophobicContact CD1-CD1 4.43Å; I187-F296 HydrophobicContact CD1-CE1 4.37Å; L215-F296 WeakPolarHBondContact CB-O 3.43Å; L215-F296 PolarHBondContact N-O 2.89Å; L215-F296 VanDerWaalsContact N-O 3.11Å; V280-F296 HydrophobicContact CG1-CE1 3.88Å; V280-F296 HydrophobicContact CG1-CZ 3.68Å; V280-F296 HydrophobicContact CG2-CE1 4.19Å; S294-F296 PolarHBondContact OG-N 3.42Å; F296-Q305 HydrophobicContact CB-CB 4.14Å; F296-Q305 HydrophobicContact CB-CG 4.46Å; F296-Q305 HydrophobicContact CD1-CB 3.72Å; F296-Q305 HydrophobicContact CD2-CB 3.81Å; F296-Q305 HydrophobicContact CE1-CB 4.06Å; F296-Q305 HydrophobicContact CE2-CB 4.13Å; F296-Q305 HydrophobicContact CG-CB 3.6Å; F296-Q305 HydrophobicContact CG-CG 4.4Å; F296-Q305 HydrophobicContact CZ-CB 4.26Å; F296-L306 HydrophobicContact CE2-CB 4.02Å; F296-L306 HydrophobicContact CE2-CD1 4.18Å; F296-H309 HydrophobicContact CE1-CB 4.45Å; F296-H309 HydrophobicContact CZ-CB 4Å | ||
| 297 | S | 70.9 | Confident | 80.2 | Confident | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.007 | 20% | 0.196 | C | C | . | . | B | Isolated β-bridge | trans | -149.2 | 169.9 | 178 | 66.7 | 0 | 0 | 0 | 0 | 114.2 | G146 G147 E213 L299 Q305 | G146-S297 WeakPolarHBondContact CA-OG 3.35Å; G146-S297 PolarHBondContact N-OG 3.08Å; G147-S297 PolarHBondContact N-OG 3.22Å; E213-S297 WeakPolarHBondContact O-CB 3.29Å; S297-L299 PolarHBondContact O-N 3.38Å; S297-Q305 VanDerWaalsContact C-NE2 3.35Å; S297-Q305 PolarHBondContact O-NE2 3.42Å; S297-Q305 PolarHBondContact O-OE1 2.9Å |
| 298 | T | 58.9 | Low | 79.5 | Confident | 74 Ų | 74 | 41.2 Ų | 41.2 | 45% | 0.454 | 21% | 0.207 | S | C | . | . | S | Bend | trans | 66.7 | -21.9 | 164.8 | 53.7 | 0 | 0 | 0 | 0 | 118.8 | ||
| 299 | L | 55 | Low | 78.8 | Confident | 78 Ų | 78 | 41.8 Ų | 41.8 | 41% | 0.408 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -102.4 | 115.5 | 161.7 | -60.9 | 176.7 | 0 | 0 | 0 | 107.6 | S297 N301 Q305 | S297-L299 PolarHBondContact O-N 3.38Å; L299-N301 PolarHBondContact O-N 3.38Å; L299-Q305 HydrophobicContact CB-CG 3.85Å; L299-Q305 HydrophobicContact CD1-CG 3.85Å; L299-Q305 HydrophobicContact CG-CG 4.2Å; L299-Q305 PolarHBondContact O-NE2 2.97Å |
| 300 | E | 51.5 | Low | 78.2 | Confident | 170 Ų | 170 | 44.1 Ų | 44.1 | 79% | 0.794 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -52.5 | -17.2 | 179.6 | -67.6 | -175.9 | 154.9 | 0 | 0 | 113.2 | ||
| 301 | N | 62.5 | Low | 77.9 | Confident | 61 Ų | 61 | 44.8 Ų | 44.8 | 33% | 0.326 | 23% | 0.229 | S | C | . | . | trans | -106.2 | 100.1 | 176.8 | -170.5 | -8.1 | 0 | 0 | 0 | 111.5 | L299 N303 F304 | L299-N301 PolarHBondContact O-N 3.38Å; N301-N303 PolarHBondContact O-N 3.46Å; N301-N303 VanDerWaalsContact O-N 3.12Å; N301-N303 VanDerWaalsContact OD1-CB 3.29Å; N301-N303 WeakPolarHBondContact OD1-CB 3.5Å; N301-N303 PolarHBondContact OD1-N 3.26Å; N301-N303 VanDerWaalsContact OD1-N 3.11Å; N301-N303 PolarHBondContact OD1-ND2 2.78Å; N301-F304 HydrophobicContact CB-CD2 3.67Å; N301-F304 HydrophobicContact CB-CE2 4.25Å; N301-F304 VanDerWaalsContact ND2-CD2 3.28Å; N301-F304 WeakPolarHBondContact ND2-CD2 3.4Å; N301-F304 WeakPolarHBondContact ND2-CE2 3.27Å; N301-F304 PolarHBondContact O-N 2.98Å; N301-F304 VanDerWaalsContact O-N 3.09Å | ||
| 302 | H | 63.6 | Low | 77.4 | Confident | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -44.8 | -38 | 171.2 | 176.6 | 89 | 0 | 0 | 0 | 113.1 | G284 S294 F304 Q305 L306 | G284-H302 PolarHBondContact O-CE1 2.84Å; S294-H302 PolarHBondContact OG-CE1 3.44Å; S294-H302 PolarHBondContact OG-ND1 3.48Å; H302-F304 VanDerWaalsContact C-N 3.35Å; H302-F304 PolarHBondContact O-N 2.94Å; H302-Q305 PolarHBondContact O-N 3.1Å; H302-L306 WeakPolarHBondContact O-CB 3.44Å; H302-L306 PolarHBondContact O-N 2.95Å |
| 303 | N | 73.4 | Confident | 76.9 | Confident | 78 Ų | 78 | 49.1 Ų | 49.1 | 42% | 0.417 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -66.3 | -35.3 | -176.6 | -59.5 | -31.9 | 0 | 0 | 0 | 112.5 | S236 N301 L307 | S236-N303 PolarHBondContact OG-ND2 3.25Å; S236-N303 PolarHBondContact OG-OD1 2.71Å; N301-N303 PolarHBondContact O-N 3.46Å; N301-N303 VanDerWaalsContact O-N 3.12Å; N301-N303 VanDerWaalsContact OD1-CB 3.29Å; N301-N303 WeakPolarHBondContact OD1-CB 3.5Å; N301-N303 PolarHBondContact OD1-N 3.26Å; N301-N303 VanDerWaalsContact OD1-N 3.11Å; N301-N303 PolarHBondContact OD1-ND2 2.78Å; N303-L307 VanDerWaalsContact O-CB 3.23Å; N303-L307 WeakPolarHBondContact O-CB 3.25Å; N303-L307 PolarHBondContact O-N 2.9Å |
| 304 | F | 75.3 | Confident | 76.6 | Confident | 126 Ų | 126 | 52.4 Ų | 52.4 | 55% | 0.553 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -69.5 | -41.6 | 178.8 | -77.6 | -57.8 | 0 | 0 | 0 | 111.6 | N301 H302 L306 L307 F308 | N301-F304 HydrophobicContact CB-CD2 3.67Å; N301-F304 HydrophobicContact CB-CE2 4.25Å; N301-F304 VanDerWaalsContact ND2-CD2 3.28Å; N301-F304 WeakPolarHBondContact ND2-CD2 3.4Å; N301-F304 WeakPolarHBondContact ND2-CE2 3.27Å; N301-F304 PolarHBondContact O-N 2.98Å; N301-F304 VanDerWaalsContact O-N 3.09Å; H302-F304 VanDerWaalsContact C-N 3.35Å; H302-F304 PolarHBondContact O-N 2.94Å; F304-L306 VanDerWaalsContact C-N 3.33Å; F304-L306 PolarHBondContact O-N 2.91Å; F304-L307 PolarHBondContact O-N 3.26Å; F304-F308 WeakPolarHBondContact O-CB 3.48Å; F304-F308 PolarHBondContact O-N 3.32Å |
| 305 | Q | 71.2 | Confident | 76.5 | Confident | 21 Ų | 21 | 56.1 Ų | 56.1 | 10% | 0.098 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.4 | -43.3 | 176.8 | -64.6 | -172.7 | 58.7 | 0 | 0 | 111 | F296 S297 L299 H302 F308 H309 | F296-Q305 HydrophobicContact CB-CB 4.14Å; F296-Q305 HydrophobicContact CB-CG 4.46Å; F296-Q305 HydrophobicContact CD1-CB 3.72Å; F296-Q305 HydrophobicContact CD2-CB 3.81Å; F296-Q305 HydrophobicContact CE1-CB 4.06Å; F296-Q305 HydrophobicContact CE2-CB 4.13Å; F296-Q305 HydrophobicContact CG-CB 3.6Å; F296-Q305 HydrophobicContact CG-CG 4.4Å; F296-Q305 HydrophobicContact CZ-CB 4.26Å; S297-Q305 VanDerWaalsContact C-NE2 3.35Å; S297-Q305 PolarHBondContact O-NE2 3.42Å; S297-Q305 PolarHBondContact O-OE1 2.9Å; L299-Q305 HydrophobicContact CB-CG 3.85Å; L299-Q305 HydrophobicContact CD1-CG 3.85Å; L299-Q305 HydrophobicContact CG-CG 4.2Å; L299-Q305 PolarHBondContact O-NE2 2.97Å; H302-Q305 PolarHBondContact O-N 3.1Å; Q305-F308 PolarHBondContact O-N 2.83Å; Q305-H309 WeakPolarHBondContact O-CB 3.29Å; Q305-H309 PolarHBondContact O-N 3.27Å |
| 306 | L | 78.5 | Confident | 76.3 | Confident | 9 Ų | 9 | 61.9 Ų | 61.9 | 5% | 0.047 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.9 | -45.4 | 174.7 | -176 | 58.5 | 0 | 0 | 0 | 112.2 | S282 Q283 F296 H302 F304 H309 K310 | S282-L306 WeakPolarHBondContact O-CD1 3.43Å; Q283-L306 WeakPolarHBondContact O-CD2 3.43Å; F296-L306 HydrophobicContact CE2-CB 4.02Å; F296-L306 HydrophobicContact CE2-CD1 4.18Å; H302-L306 WeakPolarHBondContact O-CB 3.44Å; H302-L306 PolarHBondContact O-N 2.95Å; F304-L306 VanDerWaalsContact C-N 3.33Å; F304-L306 PolarHBondContact O-N 2.91Å; L306-H309 PolarHBondContact O-N 3Å; L306-K310 HydrophobicContact CD1-CD 4.27Å; L306-K310 HydrophobicContact CD1-CG 4.38Å; L306-K310 HydrophobicContact CG-CD 4.1Å; L306-K310 WeakPolarHBondContact O-CB 3.34Å; L306-K310 VanDerWaalsContact O-CG 3.31Å; L306-K310 WeakPolarHBondContact O-CG 3.27Å; L306-K310 PolarHBondContact O-N 2.98Å |
| 307 | L | 84.1 | Confident | 76.7 | Confident | 110 Ų | 110 | 66.8 Ų | 66.8 | 58% | 0.576 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -62.3 | -45.7 | 178.8 | -178 | 66.3 | 0 | 0 | 0 | 111.3 | N303 F304 K310 A311 | N303-L307 VanDerWaalsContact O-CB 3.23Å; N303-L307 WeakPolarHBondContact O-CB 3.25Å; N303-L307 PolarHBondContact O-N 2.9Å; F304-L307 PolarHBondContact O-N 3.26Å; L307-K310 PolarHBondContact O-N 3.26Å; L307-A311 WeakPolarHBondContact O-CB 3.34Å; L307-A311 PolarHBondContact O-N 3.46Å |
| 308 | F | 82.7 | Confident | 77.7 | Confident | 56 Ų | 56 | 71 Ų | 71 | 25% | 0.246 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.1 | -44.4 | 177.3 | -177 | -100.9 | 0 | 0 | 0 | 111.5 | F304 Q305 A311 T312 Y342 L346 L349 | F304-F308 WeakPolarHBondContact O-CB 3.48Å; F304-F308 PolarHBondContact O-N 3.32Å; Q305-F308 PolarHBondContact O-N 2.83Å; F308-A311 PolarHBondContact O-N 3.33Å; F308-T312 HydrophobicContact CD1-CG2 4.28Å; F308-T312 HydrophobicContact CE1-CG2 3.93Å; F308-T312 HydrophobicContact CE2-CG2 4.27Å; F308-T312 HydrophobicContact CZ-CG2 3.91Å; F308-T312 WeakPolarHBondContact O-CG2 3Å; F308-T312 PolarHBondContact O-N 2.8Å; F308-T312 PolarHBondContact O-OG1 3.34Å; F308-Y342 HydrophobicContact CD1-CE2 4.18Å; F308-Y342 HydrophobicContact CE1-CD2 4.15Å; F308-Y342 AromaticContact CE1-CE2 3.44Å; F308-Y342 HydrophobicContact CE1-CE2 3.44Å; F308-Y342 VanDerWaalsContact CE1-CE2 3.44Å; F308-Y342 HydrophobicContact CZ-CE2 4.35Å; F308-L346 HydrophobicContact CD1-CD2 4.19Å; F308-L346 HydrophobicContact CE1-CD1 4.32Å; F308-L346 HydrophobicContact CE1-CD2 3.41Å; F308-L346 VanDerWaalsContact CE1-CD2 3.41Å; F308-L346 HydrophobicContact CE1-CG 3.88Å; F308-L346 HydrophobicContact CE2-CD2 4.29Å; F308-L346 HydrophobicContact CZ-CD2 3.49Å; F308-L346 VanDerWaalsContact CZ-CD2 3.49Å; F308-L346 HydrophobicContact CZ-CG 3.94Å; F308-L349 HydrophobicContact CE2-CD1 3.82Å; F308-L349 HydrophobicContact CZ-CD1 4.4Å |
| 309 | H | 81.4 | Confident | 79.2 | Confident | 12 Ų | 12 | 70.6 Ų | 70.6 | 6% | 0.056 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.6 | -45.6 | 175.2 | -178.7 | 62.2 | 0 | 0 | 0 | 112.1 | T185 F296 Q305 L306 A311 T312 K313 | T185-H309 WeakPolarHBondContact CG2-CE1 3.31Å; F296-H309 HydrophobicContact CE1-CB 4.45Å; F296-H309 HydrophobicContact CZ-CB 4Å; Q305-H309 WeakPolarHBondContact O-CB 3.29Å; Q305-H309 PolarHBondContact O-N 3.27Å; L306-H309 PolarHBondContact O-N 3Å; H309-A311 PolarHBondContact O-N 2.87Å; H309-T312 WeakPolarHBondContact CA-OG1 3.31Å; H309-T312 PolarHBondContact O-N 3Å; H309-T312 PolarHBondContact O-OG1 2.93Å; H309-K313 WeakPolarHBondContact O-CB 3.47Å; H309-K313 PolarHBondContact O-N 2.87Å |
| 310 | K | 86.3 | Confident | 80.7 | Confident | 85 Ų | 85 | 70 Ų | 70 | 37% | 0.37 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -60.7 | -44.6 | 175.8 | -75.4 | 174.8 | 177.7 | 171.3 | 0 | 111.6 | S282 L306 L307 K313 S314 | S282-K310 WeakPolarHBondContact O-CE 3.45Å; L306-K310 HydrophobicContact CD1-CD 4.27Å; L306-K310 HydrophobicContact CD1-CG 4.38Å; L306-K310 HydrophobicContact CG-CD 4.1Å; L306-K310 WeakPolarHBondContact O-CB 3.34Å; L306-K310 VanDerWaalsContact O-CG 3.31Å; L306-K310 WeakPolarHBondContact O-CG 3.27Å; L306-K310 PolarHBondContact O-N 2.98Å; L307-K310 PolarHBondContact O-N 3.26Å; K310-K313 PolarHBondContact O-N 3.47Å; K310-S314 PolarHBondContact O-N 3.3Å; K310-S314 PolarHBondContact O-OG 3Å; K310-S314 VanDerWaalsContact O-OG 3.1Å |
| 311 | A | 89.5 | Confident | 82.5 | Confident | 49 Ų | 49 | 66.2 Ų | 66.2 | 41% | 0.405 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62 | -47.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L307 F308 H309 K313 S314 V315 | L307-A311 WeakPolarHBondContact O-CB 3.34Å; L307-A311 PolarHBondContact O-N 3.46Å; F308-A311 PolarHBondContact O-N 3.33Å; H309-A311 PolarHBondContact O-N 2.87Å; A311-K313 VanDerWaalsContact C-N 3.35Å; A311-K313 PolarHBondContact O-N 3.47Å; A311-S314 PolarHBondContact O-N 3.44Å; A311-V315 WeakPolarHBondContact O-CG2 3.4Å; A311-V315 PolarHBondContact O-N 3.19Å |
| 312 | T | 85.3 | Confident | 83.8 | Confident | 43 Ų | 43 | 66.4 Ų | 66.4 | 26% | 0.264 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63 | -39.4 | 177.9 | 52.7 | 0 | 0 | 0 | 0 | 112.1 | F308 H309 V315 R316 Y342 | F308-T312 HydrophobicContact CD1-CG2 4.28Å; F308-T312 HydrophobicContact CE1-CG2 3.93Å; F308-T312 HydrophobicContact CE2-CG2 4.27Å; F308-T312 HydrophobicContact CZ-CG2 3.91Å; F308-T312 WeakPolarHBondContact O-CG2 3Å; F308-T312 PolarHBondContact O-N 2.8Å; F308-T312 PolarHBondContact O-OG1 3.34Å; H309-T312 WeakPolarHBondContact CA-OG1 3.31Å; H309-T312 PolarHBondContact O-N 3Å; H309-T312 PolarHBondContact O-OG1 2.93Å; T312-V315 PolarHBondContact O-N 3.34Å; T312-R316 WeakPolarHBondContact O-CB 3.4Å; T312-R316 PolarHBondContact O-N 3.37Å; T312-Y342 HydrophobicContact CG2-CD2 4.44Å; T312-Y342 HydrophobicContact CG2-CE2 4.49Å |
| 313 | K | 86.1 | Confident | 84.8 | Confident | 51 Ų | 51 | 70.1 Ų | 70.1 | 22% | 0.222 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61 | -47.6 | 172.4 | -179.6 | 175.2 | 172.9 | 174.2 | 0 | 111.8 | D184 S282 H309 K310 A311 R316 Q317 | D184-K313 IonicContact OD1-NZ 3.08Å; D184-K313 PolarHBondContact OD1-NZ 3.22Å; D184-K313 IonicContact OD2-NZ 3.88Å; D184-K313 PolarHBondContact OD2-NZ 3.5Å; S282-K313 PolarHBondContact OG-NZ 2.91Å; H309-K313 WeakPolarHBondContact O-CB 3.47Å; H309-K313 PolarHBondContact O-N 2.87Å; K310-K313 PolarHBondContact O-N 3.47Å; A311-K313 VanDerWaalsContact C-N 3.35Å; A311-K313 PolarHBondContact O-N 3.47Å; K313-R316 PolarHBondContact O-N 3.35Å; K313-Q317 WeakPolarHBondContact O-CG 3.4Å; K313-Q317 PolarHBondContact O-N 3.47Å |
| 314 | S | 89.3 | Confident | 85.3 | Confident | 69 Ų | 69 | 75.8 Ų | 75.8 | 48% | 0.483 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.5 | -44.4 | 178 | -65 | 0 | 0 | 0 | 0 | 112.2 | K310 A311 R316 Q317 L318 | K310-S314 PolarHBondContact O-N 3.3Å; K310-S314 PolarHBondContact O-OG 3Å; K310-S314 VanDerWaalsContact O-OG 3.1Å; A311-S314 PolarHBondContact O-N 3.44Å; S314-R316 PolarHBondContact O-N 3.38Å; S314-Q317 PolarHBondContact O-N 3.08Å; S314-L318 WeakPolarHBondContact O-CB 3.43Å; S314-L318 PolarHBondContact O-N 2.86Å |
| 315 | V | 89.9 | Confident | 85.5 | Confident | 78 Ų | 78 | 74.9 Ų | 74.9 | 47% | 0.473 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.4 | -45.4 | 175.7 | 171 | 0 | 0 | 0 | 0 | 110.9 | A311 T312 Q317 L318 L319 | A311-V315 WeakPolarHBondContact O-CG2 3.4Å; A311-V315 PolarHBondContact O-N 3.19Å; T312-V315 PolarHBondContact O-N 3.34Å; V315-Q317 VanDerWaalsContact C-N 3.33Å; V315-Q317 PolarHBondContact O-N 2.81Å; V315-L318 PolarHBondContact O-N 3.21Å; V315-L319 HydrophobicContact CG1-CD1 3.78Å; V315-L319 HydrophobicContact CG1-CG 4.34Å; V315-L319 WeakPolarHBondContact O-CB 3.33Å; V315-L319 WeakPolarHBondContact O-CG 3.29Å; V315-L319 PolarHBondContact O-N 3.44Å |
| 316 | R | 87.4 | Confident | 85.3 | Confident | 121 Ų | 121 | 81 Ų | 81 | 46% | 0.457 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -60.5 | -41.7 | 176.2 | -179.9 | -179.5 | 172.5 | -162.4 | -2.5 | 111.8 | T312 K313 S314 N320 | T312-R316 WeakPolarHBondContact O-CB 3.4Å; T312-R316 PolarHBondContact O-N 3.37Å; K313-R316 PolarHBondContact O-N 3.35Å; S314-R316 PolarHBondContact O-N 3.38Å; R316-N320 VanDerWaalsContact O-CB 3.3Å; R316-N320 WeakPolarHBondContact O-CB 3.39Å; R316-N320 PolarHBondContact O-N 3.35Å; R316-N320 PolarHBondContact O-ND2 3.18Å |
| 317 | Q | 88.4 | Confident | 84.3 | Confident | 110 Ų | 110 | 90.6 Ų | 90.6 | 51% | 0.514 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -64.6 | -43.7 | 176.7 | -74.7 | 176.2 | -20.6 | 0 | 0 | 111.7 | K313 S314 V315 N320 M321 | K313-Q317 WeakPolarHBondContact O-CG 3.4Å; K313-Q317 PolarHBondContact O-N 3.47Å; S314-Q317 PolarHBondContact O-N 3.08Å; V315-Q317 VanDerWaalsContact C-N 3.33Å; V315-Q317 PolarHBondContact O-N 2.81Å; Q317-N320 PolarHBondContact O-N 3.42Å; Q317-M321 WeakPolarHBondContact O-CB 3.28Å; Q317-M321 PolarHBondContact O-N 3.48Å |
| 318 | L | 91.5 | Very high | 83 | Confident | 90 Ų | 90 | 90 Ų | 90 | 47% | 0.471 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61.5 | -46.9 | 175.7 | 178.1 | 59.6 | 0 | 0 | 0 | 111.5 | S314 V315 N320 M321 L322 | S314-L318 WeakPolarHBondContact O-CB 3.43Å; S314-L318 PolarHBondContact O-N 2.86Å; V315-L318 PolarHBondContact O-N 3.21Å; L318-N320 PolarHBondContact O-N 2.85Å; L318-M321 HydrophobicContact CD1-CE 3.8Å; L318-M321 WeakPolarHBondContact O-CB 3.37Å; L318-M321 PolarHBondContact O-N 2.88Å; L318-M321 VanDerWaalsContact O-N 3.11Å; L318-L322 HydrophobicContact CD1-CD1 4.24Å; L318-L322 HydrophobicContact CD1-CG 4.19Å; L318-L322 HydrophobicContact CG-CD1 4.08Å; L318-L322 HydrophobicContact CG-CG 4.45Å; L318-L322 WeakPolarHBondContact O-CG 3.36Å; L318-L322 PolarHBondContact O-N 2.87Å |
| 319 | L | 90.1 | Very high | 81.6 | Confident | 65 Ų | 65 | 94.7 Ų | 94.7 | 34% | 0.34 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.2 | -37.4 | 178.3 | -68.4 | 173.5 | 0 | 0 | 0 | 112.1 | V315 M321 L322 T323 W338 | V315-L319 HydrophobicContact CG1-CD1 3.78Å; V315-L319 HydrophobicContact CG1-CG 4.34Å; V315-L319 WeakPolarHBondContact O-CB 3.33Å; V315-L319 WeakPolarHBondContact O-CG 3.29Å; V315-L319 PolarHBondContact O-N 3.44Å; L319-M321 VanDerWaalsContact C-N 3.3Å; L319-M321 PolarHBondContact O-N 2.94Å; L319-L322 HydrophobicContact CD2-CD1 4.39Å; L319-L322 PolarHBondContact O-N 3.43Å; L319-T323 WeakPolarHBondContact O-CB 3.43Å; L319-T323 WeakPolarHBondContact O-CG2 2.91Å; L319-T323 PolarHBondContact O-N 3.45Å; L319-T323 PolarHBondContact O-OG1 2.89Å; L319-W338 HydrophobicContact CB-CZ2 4.49Å; L319-W338 HydrophobicContact CD1-CH2 3.29Å; L319-W338 HydrophobicContact CD1-CZ2 4.01Å; L319-W338 HydrophobicContact CD1-CZ3 4.11Å |
| 320 | N | 87.5 | Confident | 80 | Confident | 64 Ų | 64 | 102.4 Ų | 102.4 | 34% | 0.342 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.4 | -34 | 171.4 | -74.8 | -23.7 | 0 | 0 | 0 | 112.4 | R316 Q317 L318 T323 R324 | R316-N320 VanDerWaalsContact O-CB 3.3Å; R316-N320 WeakPolarHBondContact O-CB 3.39Å; R316-N320 PolarHBondContact O-N 3.35Å; R316-N320 PolarHBondContact O-ND2 3.18Å; Q317-N320 PolarHBondContact O-N 3.42Å; L318-N320 PolarHBondContact O-N 2.85Å; N320-T323 VanDerWaalsContact CA-OG1 3.3Å; N320-T323 WeakPolarHBondContact CA-OG1 3.35Å; N320-T323 PolarHBondContact O-OG1 2.67Å; N320-R324 WeakPolarHBondContact O-CG 3.09Å; N320-R324 PolarHBondContact O-N 3.08Å |
| 321 | M | 89 | Confident | 77.6 | Confident | 92 Ų | 92 | 104.3 Ų | 104.3 | 45% | 0.453 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -71.6 | -48.1 | 175.2 | -177.3 | -83.7 | -82.4 | 0 | 0 | 111.1 | Q317 L318 L319 T323 R324 L325 | Q317-M321 WeakPolarHBondContact O-CB 3.28Å; Q317-M321 PolarHBondContact O-N 3.48Å; L318-M321 HydrophobicContact CD1-CE 3.8Å; L318-M321 WeakPolarHBondContact O-CB 3.37Å; L318-M321 PolarHBondContact O-N 2.88Å; L318-M321 VanDerWaalsContact O-N 3.11Å; L319-M321 VanDerWaalsContact C-N 3.3Å; L319-M321 PolarHBondContact O-N 2.94Å; M321-T323 PolarHBondContact O-N 3.24Å; M321-R324 WeakPolarHBondContact O-CB 3.32Å; M321-R324 PolarHBondContact O-N 2.73Å; M321-L325 PolarHBondContact O-N 3.34Å; M321-L325 VanDerWaalsContact O-N 3.08Å; M321-L325 HydrophobicContact SD-CD1 3.56Å; M321-L325 VanDerWaalsContact SD-CD1 3.56Å; M321-L325 HydrophobicContact SD-CG 4.06Å |
| 322 | L | 89.1 | Confident | 75.5 | Confident | 64 Ų | 64 | 107.1 Ų | 107.1 | 34% | 0.335 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -59.5 | -46.3 | 176.7 | -69.6 | 173.5 | 0 | 0 | 0 | 111.2 | L318 L319 R324 L325 F326 | L318-L322 HydrophobicContact CD1-CD1 4.24Å; L318-L322 HydrophobicContact CD1-CG 4.19Å; L318-L322 HydrophobicContact CG-CD1 4.08Å; L318-L322 HydrophobicContact CG-CG 4.45Å; L318-L322 WeakPolarHBondContact O-CG 3.36Å; L318-L322 PolarHBondContact O-N 2.87Å; L319-L322 HydrophobicContact CD2-CD1 4.39Å; L319-L322 PolarHBondContact O-N 3.43Å; L322-R324 VanDerWaalsContact C-N 3.25Å; L322-R324 PolarHBondContact O-N 2.84Å; L322-L325 WeakPolarHBondContact O-CB 3.37Å; L322-L325 PolarHBondContact O-N 2.77Å; L322-L325 VanDerWaalsContact O-N 3.08Å; L322-F326 WeakPolarHBondContact O-CD2 3.38Å; L322-F326 PolarHBondContact O-N 3.49Å |
| 323 | T | 84.1 | Confident | 73.7 | Confident | 79 Ų | 79 | 113.9 Ų | 113.9 | 49% | 0.485 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -61.9 | -31.1 | 175.7 | 52.5 | 0 | 0 | 0 | 0 | 112.4 | L319 N320 M321 R327 | L319-T323 WeakPolarHBondContact O-CB 3.43Å; L319-T323 WeakPolarHBondContact O-CG2 2.91Å; L319-T323 PolarHBondContact O-N 3.45Å; L319-T323 PolarHBondContact O-OG1 2.89Å; N320-T323 VanDerWaalsContact CA-OG1 3.3Å; N320-T323 WeakPolarHBondContact CA-OG1 3.35Å; N320-T323 PolarHBondContact O-OG1 2.67Å; M321-T323 PolarHBondContact O-N 3.24Å; T323-R327 WeakPolarHBondContact O-CA 3.34Å; T323-R327 WeakPolarHBondContact O-CB 3.2Å; T323-R327 PolarHBondContact O-N 3.24Å |
| 324 | R | 84.1 | Confident | 71.9 | Confident | 197 Ų | 197 | 117 Ų | 117 | 74% | 0.743 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -68.3 | -38.2 | 172.1 | -75 | 170.7 | -175 | -164.4 | 1.9 | 112.7 | N320 M321 L322 | N320-R324 WeakPolarHBondContact O-CG 3.09Å; N320-R324 PolarHBondContact O-N 3.08Å; M321-R324 WeakPolarHBondContact O-CB 3.32Å; M321-R324 PolarHBondContact O-N 2.73Å; L322-R324 VanDerWaalsContact C-N 3.25Å; L322-R324 PolarHBondContact O-N 2.84Å |
| 325 | L | 79.7 | Confident | 69.8 | Low | 107 Ų | 107 | 123.7 Ų | 123.7 | 56% | 0.56 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -64.2 | -46.5 | 175.1 | -64.9 | 177 | 0 | 0 | 0 | 110.9 | M321 L322 S328 | M321-L325 PolarHBondContact O-N 3.34Å; M321-L325 VanDerWaalsContact O-N 3.08Å; M321-L325 HydrophobicContact SD-CD1 3.56Å; M321-L325 VanDerWaalsContact SD-CD1 3.56Å; M321-L325 HydrophobicContact SD-CG 4.06Å; L322-L325 WeakPolarHBondContact O-CB 3.37Å; L322-L325 PolarHBondContact O-N 2.77Å; L322-L325 VanDerWaalsContact O-N 3.08Å; L325-S328 PolarHBondContact O-OG 3.45Å |
| 326 | F | 67.5 | Low | 68.2 | Low | 150 Ų | 150 | 124.4 Ų | 124.4 | 66% | 0.658 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -76.5 | -23.9 | 179.7 | -71 | -70.9 | 0 | 0 | 0 | 114.4 | L322 S328 Q329 | L322-F326 WeakPolarHBondContact O-CD2 3.38Å; L322-F326 PolarHBondContact O-N 3.49Å; F326-S328 PolarHBondContact O-N 2.91Å; F326-S328 VanDerWaalsContact O-N 3.14Å; F326-Q329 PolarHBondContact O-N 2.96Å |
| 327 | R | 58.3 | Low | 66.6 | Low | 210 Ų | 210 | 122 Ų | 122 | 79% | 0.792 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | -8.8 | 175.8 | -175.5 | 170.3 | 178.3 | 176.9 | -0.9 | 113.2 | T323 Q329 | T323-R327 WeakPolarHBondContact O-CA 3.34Å; T323-R327 WeakPolarHBondContact O-CB 3.2Å; T323-R327 PolarHBondContact O-N 3.24Å; R327-Q329 VanDerWaalsContact C-N 3.27Å |
| 328 | S | 55 | Low | 65 | Low | 97 Ų | 97 | 121.2 Ų | 121.2 | 68% | 0.678 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | -12 | 168.6 | 68.9 | 0 | 0 | 0 | 0 | 113.9 | L325 F326 | L325-S328 PolarHBondContact O-OG 3.45Å; F326-S328 PolarHBondContact O-N 2.91Å; F326-S328 VanDerWaalsContact O-N 3.14Å |
| 329 | Q | 54.8 | Low | 63.5 | Low | 156 Ų | 156 | 122.3 Ų | 122.3 | 73% | 0.729 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.3 | -16.2 | -174.1 | -80.6 | 179.8 | -9.9 | 0 | 0 | 117.4 | F326 R327 | F326-Q329 PolarHBondContact O-N 2.96Å; R327-Q329 VanDerWaalsContact C-N 3.27Å |
| 330 | H | 46.3 | Very low | 62.1 | Low | 174 Ų | 174 | 122.5 Ų | 122.5 | 81% | 0.806 | 61% | 0.611 | S | S | * | * | trans | -145.6 | 132 | 172 | -83.6 | -81.4 | 0 | 0 | 0 | 113.8 | ||||
| 331 | C | 36.8 | Very low | 60.8 | Low | 124 Ų | 124 | 123.5 Ų | 123.5 | 84% | 0.838 | 62% | 0.616 | S | S | * | * | trans | -81.7 | 114.1 | 175.1 | -163.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 332 | S | 45.8 | Very low | 59.7 | Low | 108 Ų | 108 | 122.1 Ų | 122.1 | 76% | 0.755 | 61% | 0.606 | S | S | * | * | trans | 164.2 | 102 | 140.2 | -76.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 333 | Y | 47 | Very low | 58.8 | Low | 185 Ų | 185 | 124 Ų | 124 | 73% | 0.725 | 62% | 0.615 | S | S | * | * | trans | 11.8 | 104.5 | 139.3 | -161.1 | -96.4 | 0 | 0 | 0 | 118.4 | R335 | Y333-R335 HydrophobicContact CE1-CB 4.14Š| ||
| 334 | T | 49.2 | Very low | 58.1 | Low | 118 Ų | 118 | 125.2 Ų | 125.2 | 72% | 0.724 | 62% | 0.615 | S | S | * | * | trans | -125.4 | 111.7 | 143.8 | 58.7 | 0 | 0 | 0 | 0 | 109 | I336 | T334-I336 VanDerWaalsContact C-N 3.31Å; T334-I336 PolarHBondContact O-N 3.1Å; T334-I336 VanDerWaalsContact O-N 3.12Å | ||
| 335 | R | 44.7 | Very low | 57.7 | Low | 208 Ų | 208 | 118 Ų | 118 | 79% | 0.785 | 60% | 0.595 | S | S | * | * | trans | -81.2 | 81.5 | 172.9 | -173.7 | -170.9 | -106 | -167.8 | -2.8 | 107.4 | Y333 S337 | Y333-R335 HydrophobicContact CE1-CB 4.14Å; R335-S337 PolarHBondContact O-N 3.38Å | ||
| 336 | I | 55.2 | Low | 57.3 | Low | 93 Ų | 93 | 115.7 Ų | 115.7 | 48% | 0.477 | 58% | 0.583 | S | S | . | * | trans | -71 | 114.6 | 171.3 | -58.6 | 173.4 | 0 | 0 | 0 | 107.4 | T334 W338 L341 | T334-I336 VanDerWaalsContact C-N 3.31Å; T334-I336 PolarHBondContact O-N 3.1Å; T334-I336 VanDerWaalsContact O-N 3.12Å; I336-W338 PolarHBondContact O-N 2.95Å; I336-L341 HydrophobicContact CG2-CD1 3.45Å; I336-L341 VanDerWaalsContact CG2-CD1 3.45Å | ||
| 337 | S | 54.4 | Low | 57.7 | Low | 71 Ų | 71 | 114.7 Ų | 114.7 | 50% | 0.497 | 58% | 0.582 | S | S | . | * | trans | -72.9 | 107.9 | 172.7 | 177 | 0 | 0 | 0 | 0 | 109.1 | R335 D339 S340 | R335-S337 PolarHBondContact O-N 3.38Å; S337-D339 PolarHBondContact O-N 2.82Å; S337-S340 PolarHBondContact O-N 2.74Å | ||
| 338 | W | 54.4 | Low | 58.7 | Low | 93 Ų | 93 | 113.1 Ų | 113.1 | 35% | 0.352 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -65.3 | -26 | -178.7 | -73.1 | 92.1 | 0 | 0 | 0 | 113.2 | L319 I336 S340 L341 Y342 | L319-W338 HydrophobicContact CB-CZ2 4.49Å; L319-W338 HydrophobicContact CD1-CH2 3.29Å; L319-W338 HydrophobicContact CD1-CZ2 4.01Å; L319-W338 HydrophobicContact CD1-CZ3 4.11Å; I336-W338 PolarHBondContact O-N 2.95Å; W338-S340 PolarHBondContact O-N 2.96Å; W338-L341 PolarHBondContact O-N 3.28Å; W338-Y342 WeakPolarHBondContact O-CB 3.46Å; W338-Y342 PolarHBondContact O-N 3.27Å |
| 339 | D | 60.8 | Low | 59.9 | Low | 113 Ų | 113 | 112.7 Ų | 112.7 | 60% | 0.604 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -62.9 | -33.6 | -179.4 | -57 | -24.1 | 0 | 0 | 0 | 111.2 | S337 I343 | S337-D339 PolarHBondContact O-N 2.82Å; D339-I343 WeakPolarHBondContact O-CG1 3.11Å; D339-I343 PolarHBondContact O-N 2.8Å |
| 340 | S | 60.4 | Low | 60.9 | Low | 69 Ų | 69 | 107.6 Ų | 107.6 | 48% | 0.483 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -71.1 | -44.1 | 176.4 | -161.4 | 0 | 0 | 0 | 0 | 112 | S337 W338 Y342 E344 | S337-S340 PolarHBondContact O-N 2.74Å; W338-S340 PolarHBondContact O-N 2.96Å; S340-Y342 VanDerWaalsContact C-N 3.34Å; S340-Y342 PolarHBondContact O-N 2.54Å; S340-E344 WeakPolarHBondContact O-CB 3.34Å; S340-E344 WeakPolarHBondContact O-CG 3.3Å; S340-E344 PolarHBondContact O-N 3.08Å |
| 341 | L | 61.2 | Low | 62.3 | Low | 86 Ų | 86 | 106.1 Ų | 106.1 | 45% | 0.45 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67.4 | -35 | 178.5 | -100.6 | 135.2 | 0 | 0 | 0 | 112.2 | I336 W338 S345 | I336-L341 HydrophobicContact CG2-CD1 3.45Å; I336-L341 VanDerWaalsContact CG2-CD1 3.45Å; W338-L341 PolarHBondContact O-N 3.28Å; L341-S345 VanDerWaalsContact O-CB 3.27Å; L341-S345 WeakPolarHBondContact O-CB 3.48Å; L341-S345 PolarHBondContact O-N 3.18Å; L341-S345 PolarHBondContact O-OG 2.88Å |
| 342 | Y | 65.4 | Low | 64.5 | Low | 62 Ų | 62 | 107.2 Ų | 107.2 | 24% | 0.243 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -63 | -50.8 | 176.1 | 178.1 | -100.9 | 0 | 0 | 0 | 111.4 | F308 T312 W338 S340 S345 L346 | F308-Y342 HydrophobicContact CD1-CE2 4.18Å; F308-Y342 HydrophobicContact CE1-CD2 4.15Å; F308-Y342 AromaticContact CE1-CE2 3.44Å; F308-Y342 HydrophobicContact CE1-CE2 3.44Å; F308-Y342 VanDerWaalsContact CE1-CE2 3.44Å; F308-Y342 HydrophobicContact CZ-CE2 4.35Å; T312-Y342 HydrophobicContact CG2-CD2 4.44Å; T312-Y342 HydrophobicContact CG2-CE2 4.49Å; W338-Y342 WeakPolarHBondContact O-CB 3.46Å; W338-Y342 PolarHBondContact O-N 3.27Å; S340-Y342 VanDerWaalsContact C-N 3.34Å; S340-Y342 PolarHBondContact O-N 2.54Å; Y342-S345 PolarHBondContact O-N 3.5Å; Y342-S345 PolarHBondContact O-OG 3.27Å; Y342-L346 HydrophobicContact CD1-CD1 3.94Å; Y342-L346 HydrophobicContact CE1-CD1 3.38Å; Y342-L346 HydrophobicContact CE2-CD1 4.12Å; Y342-L346 HydrophobicContact CG-CD1 4.5Å; Y342-L346 VanDerWaalsContact CZ-CD1 3.48Å; Y342-L346 WeakPolarHBondContact O-CB 3.32Å; Y342-L346 WeakPolarHBondContact O-CG 3.47Å; Y342-L346 PolarHBondContact O-N 2.9Å |
| 343 | I | 69.2 | Low | 65.9 | Low | 105 Ų | 105 | 102.9 Ų | 102.9 | 54% | 0.538 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.7 | -41 | 179.8 | -63.3 | -179.5 | 0 | 0 | 0 | 110.9 | D339 L346 M347 | D339-I343 WeakPolarHBondContact O-CG1 3.11Å; D339-I343 PolarHBondContact O-N 2.8Å; I343-L346 PolarHBondContact O-N 3.5Å; I343-M347 HydrophobicContact CG2-CG 4.21Å; I343-M347 WeakPolarHBondContact O-CB 3.47Å; I343-M347 WeakPolarHBondContact O-CG 3.3Å; I343-M347 PolarHBondContact O-N 3.42Å |
| 344 | E | 69.7 | Low | 67.1 | Low | 104 Ų | 104 | 97.9 Ų | 97.9 | 49% | 0.486 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.6 | -42.2 | 177.3 | -80 | -169.5 | -179.2 | 0 | 0 | 113 | S340 M347 R348 | S340-E344 WeakPolarHBondContact O-CB 3.34Å; S340-E344 WeakPolarHBondContact O-CG 3.3Å; S340-E344 PolarHBondContact O-N 3.08Å; E344-M347 PolarHBondContact O-N 3.26Å; E344-R348 WeakPolarHBondContact O-CB 3.34Å; E344-R348 VanDerWaalsContact O-CG 3.28Å; E344-R348 WeakPolarHBondContact O-CG 3.36Å; E344-R348 PolarHBondContact O-N 3.22Å |
| 345 | S | 75.5 | Confident | 68.3 | Low | 45 Ų | 45 | 96.4 Ų | 96.4 | 32% | 0.315 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.9 | -38.4 | 177.4 | 58 | 0 | 0 | 0 | 0 | 111.8 | L341 Y342 R348 L349 | L341-S345 VanDerWaalsContact O-CB 3.27Å; L341-S345 WeakPolarHBondContact O-CB 3.48Å; L341-S345 PolarHBondContact O-N 3.18Å; L341-S345 PolarHBondContact O-OG 2.88Å; Y342-S345 PolarHBondContact O-N 3.5Å; Y342-S345 PolarHBondContact O-OG 3.27Å; S345-R348 PolarHBondContact O-N 2.91Å; S345-L349 VanDerWaalsContact O-CB 3.29Å; S345-L349 WeakPolarHBondContact O-CB 3.46Å; S345-L349 VanDerWaalsContact O-CG 3.28Å; S345-L349 WeakPolarHBondContact O-CG 3.3Å; S345-L349 PolarHBondContact O-N 2.91Å |
| 346 | L | 71.9 | Confident | 69.9 | Low | 58 Ų | 58 | 91.9 Ų | 91.9 | 30% | 0.304 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.8 | -45 | 173 | -80.6 | 177.6 | 0 | 0 | 0 | 112.4 | F308 Y342 I343 R348 L349 A350 | F308-L346 HydrophobicContact CD1-CD2 4.19Å; F308-L346 HydrophobicContact CE1-CD1 4.32Å; F308-L346 HydrophobicContact CE1-CD2 3.41Å; F308-L346 VanDerWaalsContact CE1-CD2 3.41Å; F308-L346 HydrophobicContact CE1-CG 3.88Å; F308-L346 HydrophobicContact CE2-CD2 4.29Å; F308-L346 HydrophobicContact CZ-CD2 3.49Å; F308-L346 VanDerWaalsContact CZ-CD2 3.49Å; F308-L346 HydrophobicContact CZ-CG 3.94Å; Y342-L346 HydrophobicContact CD1-CD1 3.94Å; Y342-L346 HydrophobicContact CE1-CD1 3.38Å; Y342-L346 HydrophobicContact CE2-CD1 4.12Å; Y342-L346 HydrophobicContact CG-CD1 4.5Å; Y342-L346 VanDerWaalsContact CZ-CD1 3.48Å; Y342-L346 WeakPolarHBondContact O-CB 3.32Å; Y342-L346 WeakPolarHBondContact O-CG 3.47Å; Y342-L346 PolarHBondContact O-N 2.9Å; I343-L346 PolarHBondContact O-N 3.5Å; L346-R348 VanDerWaalsContact C-N 3.32Å; L346-R348 PolarHBondContact O-N 3.31Å; L346-L349 PolarHBondContact O-N 3.12Å; L346-A350 VanDerWaalsContact O-CB 3.27Å; L346-A350 WeakPolarHBondContact O-CB 3.21Å; L346-A350 PolarHBondContact O-N 3.47Å |
| 347 | M | 75.8 | Confident | 70.1 | Confident | 130 Ų | 130 | 90.6 Ų | 90.6 | 64% | 0.64 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -61.2 | -43 | 176.5 | -72.1 | -92.9 | -76.5 | 0 | 0 | 110.9 | I343 E344 Q351 | I343-M347 HydrophobicContact CG2-CG 4.21Å; I343-M347 WeakPolarHBondContact O-CB 3.47Å; I343-M347 WeakPolarHBondContact O-CG 3.3Å; I343-M347 PolarHBondContact O-N 3.42Å; E344-M347 PolarHBondContact O-N 3.26Å; M347-Q351 VanDerWaalsContact O-CB 3.24Å; M347-Q351 WeakPolarHBondContact O-CB 3.35Å; M347-Q351 PolarHBondContact O-N 2.82Å |
| 348 | R | 79.6 | Confident | 70.7 | Confident | 176 Ų | 176 | 92.7 Ų | 92.7 | 66% | 0.664 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -68.3 | -38.8 | 176.9 | -73.6 | 176.6 | -179.3 | -104.9 | 2.4 | 112.6 | E344 S345 L346 Q351 W352 | E344-R348 WeakPolarHBondContact O-CB 3.34Å; E344-R348 VanDerWaalsContact O-CG 3.28Å; E344-R348 WeakPolarHBondContact O-CG 3.36Å; E344-R348 PolarHBondContact O-N 3.22Å; S345-R348 PolarHBondContact O-N 2.91Å; L346-R348 VanDerWaalsContact C-N 3.32Å; L346-R348 PolarHBondContact O-N 3.31Å; R348-Q351 PolarHBondContact O-N 3.11Å; R348-W352 VanDerWaalsContact O-CB 3.28Å; R348-W352 WeakPolarHBondContact O-CB 3.45Å; R348-W352 PolarHBondContact O-N 3.47Å |
| 349 | L | 79 | Confident | 70.4 | Confident | 89 Ų | 89 | 96 Ų | 96 | 47% | 0.466 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.4 | -43 | 175.8 | -79.4 | 169.4 | 0 | 0 | 0 | 111.6 | F308 S345 L346 Q351 W352 A353 | F308-L349 HydrophobicContact CE2-CD1 3.82Å; F308-L349 HydrophobicContact CZ-CD1 4.4Å; S345-L349 VanDerWaalsContact O-CB 3.29Å; S345-L349 WeakPolarHBondContact O-CB 3.46Å; S345-L349 VanDerWaalsContact O-CG 3.28Å; S345-L349 WeakPolarHBondContact O-CG 3.3Å; S345-L349 PolarHBondContact O-N 2.91Å; L346-L349 PolarHBondContact O-N 3.12Å; L349-Q351 VanDerWaalsContact C-N 3.34Å; L349-W352 PolarHBondContact O-N 2.8Å; L349-A353 WeakPolarHBondContact O-CB 3.22Å; L349-A353 PolarHBondContact O-N 2.85Å |
| 350 | A | 76.8 | Confident | 70.9 | Confident | 48 Ų | 48 | 95.2 Ų | 95.2 | 40% | 0.397 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.6 | -45.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | L346 W352 A353 S354 | L346-A350 VanDerWaalsContact O-CB 3.27Å; L346-A350 WeakPolarHBondContact O-CB 3.21Å; L346-A350 PolarHBondContact O-N 3.47Å; A350-W352 VanDerWaalsContact C-N 3.33Å; A350-W352 PolarHBondContact O-N 3.03Å; A350-A353 PolarHBondContact O-N 3.44Å; A350-S354 WeakPolarHBondContact O-CB 3.16Å; A350-S354 PolarHBondContact O-N 3.37Å; A350-S354 PolarHBondContact O-OG 3.46Å; A350-S354 VanDerWaalsContact O-OG 3.13Å |
| 351 | Q | 76.5 | Confident | 71.5 | Confident | 144 Ų | 144 | 96.5 Ų | 96.5 | 67% | 0.673 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62 | -39.6 | 175.6 | -171.5 | 174.4 | -2.8 | 0 | 0 | 112.3 | M347 R348 L349 S355 | M347-Q351 VanDerWaalsContact O-CB 3.24Å; M347-Q351 WeakPolarHBondContact O-CB 3.35Å; M347-Q351 PolarHBondContact O-N 2.82Å; R348-Q351 PolarHBondContact O-N 3.11Å; L349-Q351 VanDerWaalsContact C-N 3.34Å; Q351-S355 WeakPolarHBondContact O-CB 3.48Å; Q351-S355 PolarHBondContact O-N 2.91Å |
| 352 | W | 81.9 | Confident | 72 | Confident | 147 Ų | 147 | 97.1 Ų | 97.1 | 56% | 0.557 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67.3 | -44.1 | 176.1 | -171.2 | 79.5 | 0 | 0 | 0 | 111.8 | R348 L349 A350 S355 M356 I358 | R348-W352 VanDerWaalsContact O-CB 3.28Å; R348-W352 WeakPolarHBondContact O-CB 3.45Å; R348-W352 PolarHBondContact O-N 3.47Å; L349-W352 PolarHBondContact O-N 2.8Å; A350-W352 VanDerWaalsContact C-N 3.33Å; A350-W352 PolarHBondContact O-N 3.03Å; W352-S355 WeakPolarHBondContact CA-OG 3.49Å; W352-S355 WeakPolarHBondContact O-CB 2.99Å; W352-S355 PolarHBondContact O-N 3.2Å; W352-S355 VanDerWaalsContact O-N 3.11Å; W352-S355 PolarHBondContact O-OG 3.04Å; W352-M356 HydrophobicContact CD2-CG 4.2Å; W352-M356 HydrophobicContact CE3-CG 4.43Å; W352-M356 HydrophobicContact CH2-CE 4.22Å; W352-M356 HydrophobicContact CH2-CG 4.32Å; W352-M356 HydrophobicContact CZ2-CE 3.84Å; W352-M356 HydrophobicContact CZ2-CG 4.08Å; W352-M356 HydrophobicContact CZ2-SD 4.49Å; W352-M356 HydrophobicContact CZ3-CG 4.49Å; W352-M356 WeakPolarHBondContact O-CG 3.38Å; W352-M356 PolarHBondContact O-N 3.14Å; W352-I358 HydrophobicContact CZ3-CD1 4.46Å |
| 353 | A | 74.9 | Confident | 72.4 | Confident | 17 Ų | 17 | 99.2 Ų | 99.2 | 14% | 0.14 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -64.9 | -41.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L349 A350 S355 M356 G357 I358 L359 | L349-A353 WeakPolarHBondContact O-CB 3.22Å; L349-A353 PolarHBondContact O-N 2.85Å; A350-A353 PolarHBondContact O-N 3.44Å; A353-S355 VanDerWaalsContact C-N 3.3Å; A353-S355 PolarHBondContact O-N 2.82Å; A353-M356 PolarHBondContact O-N 2.99Å; A353-G357 PolarHBondContact O-N 3.29Å; A353-I358 PolarHBondContact O-N 2.76Å; A353-L359 HydrophobicContact CB-CD1 3.64Å; A353-L359 HydrophobicContact CB-CG 4.23Å |
| 354 | S | 72.7 | Confident | 72.6 | Confident | 80 Ų | 80 | 98.8 Ų | 98.8 | 56% | 0.559 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60 | -39.3 | 169.6 | -63.1 | 0 | 0 | 0 | 0 | 111.9 | A350 M356 G357 | A350-S354 WeakPolarHBondContact O-CB 3.16Å; A350-S354 PolarHBondContact O-N 3.37Å; A350-S354 PolarHBondContact O-OG 3.46Å; A350-S354 VanDerWaalsContact O-OG 3.13Å; S354-M356 VanDerWaalsContact C-N 3.29Å; S354-M356 PolarHBondContact O-N 3.08Å; S354-G357 PolarHBondContact O-N 3.06Å |
| 355 | S | 74.6 | Confident | 72.8 | Confident | 87 Ų | 87 | 98.5 Ų | 98.5 | 61% | 0.608 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -68.8 | -25.7 | 179.2 | 78.2 | 0 | 0 | 0 | 0 | 113.8 | Q351 W352 A353 | Q351-S355 WeakPolarHBondContact O-CB 3.48Å; Q351-S355 PolarHBondContact O-N 2.91Å; W352-S355 WeakPolarHBondContact CA-OG 3.49Å; W352-S355 WeakPolarHBondContact O-CB 2.99Å; W352-S355 PolarHBondContact O-N 3.2Å; W352-S355 VanDerWaalsContact O-N 3.11Å; W352-S355 PolarHBondContact O-OG 3.04Å; A353-S355 VanDerWaalsContact C-N 3.3Å; A353-S355 PolarHBondContact O-N 2.82Å |
| 356 | M | 77.8 | Confident | 72.6 | Confident | 113 Ų | 113 | 102.3 Ų | 102.3 | 56% | 0.557 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | 0.7 | 178.8 | -64.1 | -66.5 | -97.3 | 0 | 0 | 112.7 | W352 A353 S354 I358 | W352-M356 HydrophobicContact CD2-CG 4.2Å; W352-M356 HydrophobicContact CE3-CG 4.43Å; W352-M356 HydrophobicContact CH2-CE 4.22Å; W352-M356 HydrophobicContact CH2-CG 4.32Å; W352-M356 HydrophobicContact CZ2-CE 3.84Å; W352-M356 HydrophobicContact CZ2-CG 4.08Å; W352-M356 HydrophobicContact CZ2-SD 4.49Å; W352-M356 HydrophobicContact CZ3-CG 4.49Å; W352-M356 WeakPolarHBondContact O-CG 3.38Å; W352-M356 PolarHBondContact O-N 3.14Å; A353-M356 PolarHBondContact O-N 2.99Å; S354-M356 VanDerWaalsContact C-N 3.29Å; S354-M356 PolarHBondContact O-N 3.08Å; M356-I358 VanDerWaalsContact C-N 3.26Å; M356-I358 HydrophobicContact CB-CD1 3.57Å; M356-I358 HydrophobicContact CB-CG1 3.75Å; M356-I358 HydrophobicContact CG-CD1 4.39Å; M356-I358 PolarHBondContact O-N 3.08Å |
| 357 | G | 59.6 | Low | 72.7 | Confident | 66 Ų | 66 | 105.7 Ų | 105.7 | 68% | 0.68 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 66.1 | 26.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | A353 S354 | A353-G357 PolarHBondContact O-N 3.29Å; S354-G357 PolarHBondContact O-N 3.06Å |
| 358 | I | 66.9 | Low | 72.4 | Confident | 115 Ų | 115 | 103.7 Ų | 103.7 | 59% | 0.59 | 56% | 0.562 | S | S | * | * | trans | -88.2 | -13.5 | -176.7 | -60.6 | 172.2 | 0 | 0 | 0 | 111.5 | W352 A353 M356 | W352-I358 HydrophobicContact CZ3-CD1 4.46Å; A353-I358 PolarHBondContact O-N 2.76Å; M356-I358 VanDerWaalsContact C-N 3.26Å; M356-I358 HydrophobicContact CB-CD1 3.57Å; M356-I358 HydrophobicContact CB-CG1 3.75Å; M356-I358 HydrophobicContact CG-CD1 4.39Å; M356-I358 PolarHBondContact O-N 3.08Å | ||
| 359 | L | 48.9 | Very low | 71.8 | Confident | 162 Ų | 162 | 97.1 Ų | 97.1 | 85% | 0.848 | 55% | 0.552 | S | S | * | * | trans | -123 | 0 | -179.2 | -83.8 | 166.2 | 0 | 0 | 0 | 112.6 | A353 | A353-L359 HydrophobicContact CB-CD1 3.64Å; A353-L359 HydrophobicContact CB-CG 4.23Å |
Retrieved 359 of 359 residues in 696.7 ms
(Link to these results)