| 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 | 34.4 | Very low | 34.4 | Very low | 237 Ų | 237 | 126.2 Ų | 126.2 | 100% | 1.167 | 81% | 0.805 | S | S | * | * | 0 | 118.4 | 0 | -61 | 173.3 | -173.7 | 0 | 0 | 105.6 | |||||
| 2 | A | 31.8 | Very low | 34.1 | Very low | 106 Ų | 106 | 131.3 Ų | 131.3 | 88% | 0.876 | 81% | 0.811 | S | S | * | * | 69.4 | 121.6 | 64.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 3 | G | 30.4 | Very low | 33.8 | Very low | 79 Ų | 79 | 130.4 Ų | 130.4 | 81% | 0.814 | 81% | 0.812 | S | S | * | * | cis | -171.7 | -176.5 | -1.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 4 | A | 35.9 | Very low | 33.5 | Very low | 101 Ų | 101 | 126.9 Ų | 126.9 | 84% | 0.835 | 81% | 0.814 | S | S | * | * | trans | -92.5 | 166.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 5 | P | 47.7 | Very low | 33.5 | Very low | 114 Ų | 114 | 132.6 Ų | 132.6 | 74% | 0.74 | 82% | 0.822 | S | S | * | * | trans | -133.6 | 135.3 | 139.7 | 27.3 | -10.1 | 0 | 0 | 0 | 112.9 | ||||
| 6 | V | 38 | Very low | 33.2 | Very low | 115 Ų | 115 | 136.6 Ų | 136.6 | 70% | 0.697 | 83% | 0.831 | S | S | * | * | 63.1 | 122.1 | 92.5 | 168.2 | 0 | 0 | 0 | 0 | 112 | |||||
| 7 | R | 35.1 | Very low | 33.2 | Very low | 220 Ų | 220 | 140.4 Ų | 140.4 | 83% | 0.83 | 83% | 0.833 | S | S | * | * | cis | -161.1 | -165.4 | 13.4 | -124.5 | 176 | -151.6 | 138.5 | 1.8 | 107.8 | ||||
| 8 | S | 33 | Very low | 33.1 | Very low | 103 Ų | 103 | 140.8 Ų | 140.8 | 72% | 0.72 | 82% | 0.823 | S | S | * | * | cis | -176.5 | 169.8 | -6.5 | 37.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 9 | A | 31.8 | Very low | 33 | Very low | 80 Ų | 80 | 141.9 Ų | 141.9 | 66% | 0.661 | 83% | 0.825 | S | S | * | * | cis | -179.4 | 167.5 | -31.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 10 | T | 29.9 | Very low | 32.9 | Very low | 140 Ų | 140 | 141.6 Ų | 141.6 | 86% | 0.859 | 82% | 0.815 | S | S | * | * | trans | 64.2 | 149.9 | 163.4 | 38.9 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 11 | S | 30.2 | Very low | 33.1 | Very low | 93 Ų | 93 | 139.9 Ų | 139.9 | 65% | 0.65 | 81% | 0.812 | S | S | * | * | cis | -167.7 | 148.8 | -5.4 | 45.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 12 | Q | 31.2 | Very low | 33.2 | Very low | 188 Ų | 188 | 138 Ų | 138 | 88% | 0.879 | 80% | 0.797 | S | S | * | * | trans | 54.1 | 148.1 | 142.1 | -70.1 | -177.3 | 8.2 | 0 | 0 | 120.3 | ||||
| 13 | S | 29.4 | Very low | 33.6 | Very low | 119 Ų | 119 | 141.6 Ų | 141.6 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | cis | -157 | 170.4 | 0.5 | 54.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 14 | G | 29.6 | Very low | 34 | Very low | 81 Ų | 81 | 141.7 Ų | 141.7 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | trans | 161.3 | 92.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 15 | K | 33.5 | Very low | 34.5 | Very low | 213 Ų | 213 | 146.7 Ų | 146.7 | 93% | 0.926 | 81% | 0.805 | S | S | * | * | trans | -103.8 | 127.8 | 167.7 | -85.6 | -176.7 | 177.7 | 175 | 0 | 109.6 | ||||
| 16 | M | 30.1 | Very low | 34.1 | Very low | 197 Ų | 197 | 148.8 Ų | 148.8 | 97% | 0.97 | 81% | 0.809 | S | S | * | * | trans | -150.8 | 154.1 | 143.2 | -124 | 169.4 | 171.4 | 0 | 0 | 110.3 | ||||
| 17 | K | 32.7 | Very low | 34.2 | Very low | 201 Ų | 201 | 146.6 Ų | 146.6 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | trans | -117 | 138.2 | -175.3 | -105.7 | -171.8 | 175.2 | -174.3 | 0 | 109.3 | ||||
| 18 | K | 30.6 | Very low | 34.6 | Very low | 147 Ų | 147 | 139 Ų | 139 | 64% | 0.639 | 80% | 0.799 | S | S | * | * | trans | 57.8 | 121.3 | 148 | -145.9 | -168.1 | -172.9 | -133.7 | 0 | 117.5 | E20 | K18-E20 WeakPolarHBondContact CE-OE2 3.47Å; K18-E20 HydrophobicContact CG-CG 4.48Å; K18-E20 IonicContact NZ-OE2 2.61Å; K18-E20 PolarHBondContact NZ-OE2 3.28Å | ||
| 19 | D | 30.9 | Very low | 34.9 | Very low | 163 Ų | 163 | 139 Ų | 139 | 87% | 0.872 | 80% | 0.795 | S | S | * | * | -147.1 | 163.8 | 115.9 | -105.7 | -28.1 | 0 | 0 | 0 | 110.4 | |||||
| 20 | E | 32.1 | Very low | 35.3 | Very low | 135 Ų | 135 | 141.9 Ų | 141.9 | 63% | 0.631 | 80% | 0.799 | S | S | * | * | trans | -117.7 | 148.2 | -166.6 | -69.4 | 177.9 | 106.4 | 0 | 0 | 113.8 | K18 | K18-E20 WeakPolarHBondContact CE-OE2 3.47Å; K18-E20 HydrophobicContact CG-CG 4.48Å; K18-E20 IonicContact NZ-OE2 2.61Å; K18-E20 PolarHBondContact NZ-OE2 3.28Å | ||
| 21 | S | 36.9 | Very low | 35.9 | Very low | 106 Ų | 106 | 140.1 Ų | 140.1 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | trans | 76.9 | 177.3 | 155.7 | 82 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 22 | F | 35.7 | Very low | 36.5 | Very low | 197 Ų | 197 | 145.5 Ų | 145.5 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | trans | 74.8 | 55.7 | -177.8 | -72.7 | -84.3 | 0 | 0 | 0 | 120.1 | ||||
| 23 | L | 41.3 | Very low | 37.1 | Very low | 181 Ų | 181 | 144.1 Ų | 144.1 | 95% | 0.948 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -156.2 | 21.5 | 146.3 | -116.5 | 172.9 | 0 | 0 | 0 | 116.3 | ||
| 24 | G | 39.3 | Very low | 37.8 | Very low | 81 Ų | 81 | 145.2 Ų | 145.2 | 84% | 0.835 | 78% | 0.775 | S | S | * | * | trans | -105.2 | 22.1 | -166.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 25 | K | 44.8 | Very low | 38.6 | Very low | 206 Ų | 206 | 148.1 Ų | 148.1 | 90% | 0.896 | 76% | 0.764 | S | S | * | * | trans | -138 | 25.8 | -160 | -126.3 | 175.2 | -173.9 | 178.1 | 0 | 119.3 | ||||
| 26 | L | 41.2 | Very low | 39.1 | Very low | 159 Ų | 159 | 141.3 Ų | 141.3 | 83% | 0.832 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -121.1 | -8.2 | 177.1 | -86.4 | 166.9 | 0 | 0 | 0 | 116.9 | ||
| 27 | G | 39.1 | Very low | 40 | Very low | 68 Ų | 68 | 138 Ų | 138 | 70% | 0.701 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -81.5 | -20 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 28 | G | 42.6 | Very low | 40.7 | Very low | 60 Ų | 60 | 132.6 Ų | 132.6 | 62% | 0.619 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -84.2 | -17.6 | -163.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 29 | T | 41 | Very low | 41.5 | Very low | 103 Ų | 103 | 130 Ų | 130 | 63% | 0.632 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -85.2 | -35 | -169.6 | 37.3 | 0 | 0 | 0 | 0 | 114 | K33 | T29-K33 WeakPolarHBondContact O-CB 3.41Å; T29-K33 PolarHBondContact O-N 3.42Å |
| 30 | L | 39.1 | Very low | 42.3 | Very low | 141 Ų | 141 | 125.3 Ų | 125.3 | 74% | 0.738 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -65.2 | -47.3 | -178.5 | -80.9 | 162.3 | 0 | 0 | 0 | 112.6 | R32 K33 K34 | L30-R32 VanDerWaalsContact C-N 3.34Å; L30-R32 PolarHBondContact O-N 2.99Å; L30-K33 PolarHBondContact O-N 3.35Å; L30-K34 PolarHBondContact O-N 3.45Å |
| 31 | V | 43.6 | Very low | 43.2 | Very low | 104 Ų | 104 | 122 Ų | 122 | 63% | 0.63 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -61.9 | -42.1 | 179.5 | -177.9 | 0 | 0 | 0 | 0 | 111.2 | K34 K35 | V31-K34 PolarHBondContact O-N 3.36Å; V31-K35 PolarHBondContact O-N 2.87Å |
| 32 | R | 42.8 | Very low | 44 | Very low | 206 Ų | 206 | 121.9 Ų | 121.9 | 78% | 0.777 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -68 | -35.4 | 178.9 | -159.5 | 172.3 | -172.3 | 173.1 | 2.4 | 112.1 | L30 S36 | L30-R32 VanDerWaalsContact C-N 3.34Å; L30-R32 PolarHBondContact O-N 2.99Å; R32-S36 PolarHBondContact O-N 2.96Å; R32-S36 PolarHBondContact O-OG 3.12Å |
| 33 | K | 42.1 | Very low | 44.6 | Very low | 158 Ų | 158 | 118.4 Ų | 118.4 | 69% | 0.687 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -70.8 | -31.7 | 175.9 | -136.7 | -179.8 | -174 | -173.3 | 0 | 112.9 | T29 L30 S36 K37 | T29-K33 WeakPolarHBondContact O-CB 3.41Å; T29-K33 PolarHBondContact O-N 3.42Å; L30-K33 PolarHBondContact O-N 3.35Å; K33-S36 WeakPolarHBondContact CA-OG 3.19Å; K33-S36 PolarHBondContact O-OG 2.87Å; K33-S36 VanDerWaalsContact O-OG 3.05Å; K33-K37 PolarHBondContact O-N 2.83Å |
| 34 | K | 45 | Very low | 45.1 | Very low | 143 Ų | 143 | 115.3 Ų | 115.3 | 62% | 0.622 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -64.7 | -54.8 | 172.4 | -167.2 | -178.1 | 178.1 | -169.6 | 0 | 110.5 | L30 V31 S36 K37 E38 | L30-K34 PolarHBondContact O-N 3.45Å; V31-K34 PolarHBondContact O-N 3.36Å; K34-S36 VanDerWaalsContact C-N 3.31Å; K34-S36 PolarHBondContact O-N 3.47Å; K34-K37 PolarHBondContact O-N 3.08Å; K34-E38 WeakPolarHBondContact O-CB 3.43Å; K34-E38 PolarHBondContact O-N 2.82Å |
| 35 | K | 47.2 | Very low | 45.8 | Very low | 141 Ų | 141 | 117.2 Ų | 117.2 | 61% | 0.613 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -59.5 | -36.2 | 177.5 | -81.1 | -157.7 | 168.9 | -163 | 0 | 113.7 | V31 K37 V39 | V31-K35 PolarHBondContact O-N 2.87Å; K35-K37 VanDerWaalsContact C-N 3.32Å; K35-K37 PolarHBondContact O-N 3.34Å; K35-V39 WeakPolarHBondContact O-CB 3.42Å; K35-V39 VanDerWaalsContact O-CG2 3.31Å; K35-V39 WeakPolarHBondContact O-CG2 3.41Å; K35-V39 PolarHBondContact O-N 3.01Å |
| 36 | S | 44 | Very low | 46 | Very low | 71 Ų | 71 | 109.3 Ų | 109.3 | 50% | 0.497 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -70.3 | -28.1 | 176.7 | 64.6 | 0 | 0 | 0 | 0 | 113.3 | R32 K33 K34 S40 | R32-S36 PolarHBondContact O-N 2.96Å; R32-S36 PolarHBondContact O-OG 3.12Å; K33-S36 WeakPolarHBondContact CA-OG 3.19Å; K33-S36 PolarHBondContact O-OG 2.87Å; K33-S36 VanDerWaalsContact O-OG 3.05Å; K34-S36 VanDerWaalsContact C-N 3.31Å; K34-S36 PolarHBondContact O-N 3.47Å; S36-S40 WeakPolarHBondContact O-CB 3.47Å; S36-S40 PolarHBondContact O-N 3.49Å |
| 37 | K | 47.5 | Very low | 46.3 | Very low | 126 Ų | 126 | 107.5 Ų | 107.5 | 55% | 0.548 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -75.7 | -48.6 | 173 | -161.6 | -171.2 | 178.9 | -70.3 | 0 | 110.5 | K33 K34 K35 V39 S40 D41 | K33-K37 PolarHBondContact O-N 2.83Å; K34-K37 PolarHBondContact O-N 3.08Å; K35-K37 VanDerWaalsContact C-N 3.32Å; K35-K37 PolarHBondContact O-N 3.34Å; K37-V39 VanDerWaalsContact C-N 3.31Å; K37-V39 PolarHBondContact O-N 3.12Å; K37-S40 CarbonylContact O-C 3.59Å; K37-S40 WeakPolarHBondContact O-CA 3.35Å; K37-S40 WeakPolarHBondContact O-CB 3.36Å; K37-S40 PolarHBondContact O-N 3.19Å; K37-D41 IonicContact NZ-OD1 2.8Å; K37-D41 PolarHBondContact NZ-OD1 2.92Å; K37-D41 IonicContact NZ-OD2 2.73Å; K37-D41 PolarHBondContact NZ-OD2 3.15Å; K37-D41 PolarHBondContact O-N 2.83Å |
| 38 | E | 48.4 | Very low | 46.7 | Very low | 88 Ų | 88 | 109.9 Ų | 109.9 | 41% | 0.411 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -51.9 | -45.7 | 176.1 | -164.6 | 165.7 | -119.8 | 0 | 0 | 112.1 | K34 L42 | K34-E38 WeakPolarHBondContact O-CB 3.43Å; K34-E38 PolarHBondContact O-N 2.82Å; E38-L42 WeakPolarHBondContact O-CB 3.5Å; E38-L42 WeakPolarHBondContact O-CD1 3.48Å; E38-L42 VanDerWaalsContact O-CG 3.27Å; E38-L42 WeakPolarHBondContact O-CG 3.23Å; E38-L42 PolarHBondContact O-N 2.98Å; E38-L42 VanDerWaalsContact O-N 3.1Å |
| 39 | V | 47.9 | Very low | 47 | Very low | 94 Ų | 94 | 111 Ų | 111 | 57% | 0.57 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -70.3 | -27.6 | 174.1 | 172 | 0 | 0 | 0 | 0 | 113.2 | K35 K37 H43 | K35-V39 WeakPolarHBondContact O-CB 3.42Å; K35-V39 VanDerWaalsContact O-CG2 3.31Å; K35-V39 WeakPolarHBondContact O-CG2 3.41Å; K35-V39 PolarHBondContact O-N 3.01Å; K37-V39 VanDerWaalsContact C-N 3.31Å; K37-V39 PolarHBondContact O-N 3.12Å; V39-H43 WeakPolarHBondContact O-CB 3.49Å; V39-H43 PolarHBondContact O-N 3.44Å |
| 40 | S | 46.7 | Very low | 47.4 | Very low | 63 Ų | 63 | 112.1 Ų | 112.1 | 44% | 0.441 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -75.3 | -44.5 | 174.5 | -167.7 | 0 | 0 | 0 | 0 | 111.6 | S36 K37 L42 H43 E44 | S36-S40 WeakPolarHBondContact O-CB 3.47Å; S36-S40 PolarHBondContact O-N 3.49Å; K37-S40 CarbonylContact O-C 3.59Å; K37-S40 WeakPolarHBondContact O-CA 3.35Å; K37-S40 WeakPolarHBondContact O-CB 3.36Å; K37-S40 PolarHBondContact O-N 3.19Å; S40-L42 VanDerWaalsContact C-N 3.35Å; S40-L42 PolarHBondContact O-N 2.92Å; S40-H43 CarbonylContact O-C 3.53Å; S40-H43 PolarHBondContact O-N 3.34Å; S40-E44 PolarHBondContact O-N 3.3Å |
| 41 | D | 51.2 | Low | 47.5 | Very low | 66 Ų | 66 | 111.8 Ų | 111.8 | 35% | 0.353 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -60.8 | -45.4 | 179.6 | -61.6 | -22.4 | 0 | 0 | 0 | 109.2 | K37 H43 E44 E45 | K37-D41 IonicContact NZ-OD1 2.8Å; K37-D41 PolarHBondContact NZ-OD1 2.92Å; K37-D41 IonicContact NZ-OD2 2.73Å; K37-D41 PolarHBondContact NZ-OD2 3.15Å; K37-D41 PolarHBondContact O-N 2.83Å; D41-H43 VanDerWaalsContact C-N 3.32Å; D41-H43 PolarHBondContact O-N 3Å; D41-E44 PolarHBondContact O-N 2.95Å; D41-E45 WeakPolarHBondContact O-CB 3.37Å; D41-E45 PolarHBondContact O-N 3.39Å |
| 42 | L | 53 | Low | 47.2 | Very low | 104 Ų | 104 | 112.9 Ų | 112.9 | 55% | 0.545 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -59 | -35.7 | 171.6 | -73.8 | 166.7 | 0 | 0 | 0 | 113.9 | E38 S40 E44 G46 | E38-L42 WeakPolarHBondContact O-CB 3.5Å; E38-L42 WeakPolarHBondContact O-CD1 3.48Å; E38-L42 VanDerWaalsContact O-CG 3.27Å; E38-L42 WeakPolarHBondContact O-CG 3.23Å; E38-L42 PolarHBondContact O-N 2.98Å; E38-L42 VanDerWaalsContact O-N 3.1Å; S40-L42 VanDerWaalsContact C-N 3.35Å; S40-L42 PolarHBondContact O-N 2.92Å; L42-E44 VanDerWaalsContact C-N 3.31Å; L42-G46 PolarHBondContact O-N 3.04Å |
| 43 | H | 49.8 | Very low | 47.3 | Very low | 124 Ų | 124 | 108.5 Ų | 108.5 | 57% | 0.574 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -80.9 | -14.8 | -179 | -147.6 | 106.4 | 0 | 0 | 0 | 112.7 | V39 S40 D41 K47 | V39-H43 WeakPolarHBondContact O-CB 3.49Å; V39-H43 PolarHBondContact O-N 3.44Å; S40-H43 CarbonylContact O-C 3.53Å; S40-H43 PolarHBondContact O-N 3.34Å; D41-H43 VanDerWaalsContact C-N 3.32Å; D41-H43 PolarHBondContact O-N 3Å; H43-K47 WeakPolarHBondContact O-CD 3.44Å; H43-K47 WeakPolarHBondContact O-CG 3.45Å |
| 44 | E | 50.3 | Low | 47.3 | Very low | 115 Ų | 115 | 109.8 Ų | 109.8 | 54% | 0.537 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -93 | -39.5 | 174.6 | -166.6 | 160.5 | -170.4 | 0 | 0 | 110.5 | S40 D41 L42 K47 N48 | S40-E44 PolarHBondContact O-N 3.3Å; D41-E44 PolarHBondContact O-N 2.95Å; L42-E44 VanDerWaalsContact C-N 3.31Å; E44-K47 PolarHBondContact O-N 3.29Å; E44-K47 VanDerWaalsContact O-N 3.12Å; E44-N48 PolarHBondContact O-N 2.83Å; E44-N48 PolarHBondContact O-ND2 3.06Å |
| 45 | E | 53.7 | Low | 47 | Very low | 121 Ų | 121 | 109.8 Ų | 109.8 | 57% | 0.565 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -55.4 | -51.1 | 166.4 | -174.9 | 171.3 | -151.7 | 0 | 0 | 111.4 | D41 K47 N48 A49 | D41-E45 WeakPolarHBondContact O-CB 3.37Å; D41-E45 PolarHBondContact O-N 3.39Å; E45-K47 PolarHBondContact O-N 2.87Å; E45-N48 PolarHBondContact O-N 3.17Å; E45-N48 VanDerWaalsContact O-N 3.15Å; E45-A49 PolarHBondContact O-N 3.21Å; E45-A49 VanDerWaalsContact O-N 3.1Å |
| 46 | G | 50.7 | Low | 46.6 | Very low | 40 Ų | 40 | 108.8 Ų | 108.8 | 41% | 0.412 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -62.9 | -19.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | L42 I50 | L42-G46 PolarHBondContact O-N 3.04Å; G46-I50 WeakPolarHBondContact O-CD1 3.46Å; G46-I50 WeakPolarHBondContact O-CG1 3.24Å |
| 47 | K | 47.1 | Very low | 46.6 | Very low | 122 Ų | 122 | 111.7 Ų | 111.7 | 53% | 0.53 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -87.9 | -35.1 | 172.6 | -79.9 | 173.4 | -179.6 | 170 | 0 | 112.7 | H43 E44 E45 A49 I50 | H43-K47 WeakPolarHBondContact O-CD 3.44Å; H43-K47 WeakPolarHBondContact O-CG 3.45Å; E44-K47 PolarHBondContact O-N 3.29Å; E44-K47 VanDerWaalsContact O-N 3.12Å; E45-K47 PolarHBondContact O-N 2.87Å; K47-A49 VanDerWaalsContact C-N 3.27Å; K47-A49 PolarHBondContact O-N 3.08Å; K47-I50 PolarHBondContact O-N 3.38Å |
| 48 | N | 47.4 | Very low | 46.2 | Very low | 117 Ų | 117 | 109.1 Ų | 109.1 | 63% | 0.626 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -67.9 | -29.7 | 176 | -72.5 | -28.8 | 0 | 0 | 0 | 111.7 | E44 E45 I50 | E44-N48 PolarHBondContact O-N 2.83Å; E44-N48 PolarHBondContact O-ND2 3.06Å; E45-N48 PolarHBondContact O-N 3.17Å; E45-N48 VanDerWaalsContact O-N 3.15Å; N48-I50 PolarHBondContact O-N 2.85Å |
| 49 | A | 49.5 | Very low | 46 | Very low | 85 Ų | 85 | 109.7 Ų | 109.7 | 70% | 0.702 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | -16.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 115 | E45 K47 | E45-A49 PolarHBondContact O-N 3.21Å; E45-A49 VanDerWaalsContact O-N 3.1Å; K47-A49 VanDerWaalsContact C-N 3.27Å; K47-A49 PolarHBondContact O-N 3.08Å |
| 50 | I | 47.8 | Very low | 45.6 | Very low | 126 Ų | 126 | 114.2 Ų | 114.2 | 65% | 0.646 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | -12.3 | -172.3 | -68.6 | 172.3 | 0 | 0 | 0 | 113.1 | G46 K47 N48 T52 | G46-I50 WeakPolarHBondContact O-CD1 3.46Å; G46-I50 WeakPolarHBondContact O-CG1 3.24Å; K47-I50 PolarHBondContact O-N 3.38Å; N48-I50 PolarHBondContact O-N 2.85Å; I50-T52 PolarHBondContact O-N 3.12Å |
| 51 | N | 42.4 | Very low | 45.6 | Very low | 134 Ų | 134 | 115.6 Ų | 115.6 | 72% | 0.717 | 66% | 0.657 | S | S | * | * | trans | -99.7 | 57.5 | -173 | -76.6 | -57 | 0 | 0 | 0 | 114.1 | ||||
| 52 | T | 36.7 | Very low | 45.2 | Very low | 126 Ų | 126 | 118.1 Ų | 118.1 | 77% | 0.773 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -144.5 | 135 | 160.7 | -58.3 | 0 | 0 | 0 | 0 | 108.3 | I50 | I50-T52 PolarHBondContact O-N 3.12Š|
| 53 | P | 44.6 | Very low | 44.7 | Very low | 114 Ų | 114 | 117.5 Ų | 117.5 | 74% | 0.74 | 67% | 0.669 | S | S | * | * | trans | -82.4 | 139.1 | -149.1 | 29.1 | -36.1 | 0 | 0 | 0 | 116.5 | ||||
| 54 | M | 42.2 | Very low | 44.6 | Very low | 186 Ų | 186 | 118.6 Ų | 118.6 | 92% | 0.916 | 67% | 0.674 | S | S | * | * | trans | 56.3 | 83.8 | 162.1 | -56.4 | -161.9 | 85.8 | 0 | 0 | 117.7 | ||||
| 55 | L | 39.4 | Very low | 44.5 | Very low | 143 Ų | 143 | 114.1 Ų | 114.1 | 75% | 0.749 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -97.1 | 151.4 | 141.7 | -85.6 | 77.5 | 0 | 0 | 0 | 109.6 | ||
| 56 | P | 39.1 | Very low | 44.4 | Very low | 120 Ų | 120 | 111.4 Ų | 111.4 | 78% | 0.779 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 133.2 | 170.5 | 28.6 | -33.9 | 0 | 0 | 0 | 110.5 | G58 | P56-G58 PolarHBondContact O-N 3.33Š|
| 57 | S | 44.1 | Very low | 44.7 | Very low | 132 Ų | 132 | 116.8 Ų | 116.8 | 92% | 0.923 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | 117.3 | 179.2 | -48.7 | 0 | 0 | 0 | 0 | 110.8 | ||
| 58 | G | 39.2 | Very low | 45.4 | Very low | 72 Ų | 72 | 112 Ų | 112 | 74% | 0.742 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 177.9 | -24.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 116 | P56 E60 | P56-G58 PolarHBondContact O-N 3.33Å; G58-E60 PolarHBondContact O-N 2.85Å; G58-E60 VanDerWaalsContact O-N 3.09Å |
| 59 | T | 42.7 | Very low | 46.5 | Very low | 100 Ų | 100 | 114 Ų | 114 | 61% | 0.613 | 65% | 0.648 | S | S | * | * | trans | -79.8 | 92.4 | 178.9 | -39.4 | 0 | 0 | 0 | 0 | 111.2 | I61 | T59-I61 VanDerWaalsContact C-N 3.26Å; T59-I61 HydrophobicContact CG2-CG1 3.77Å; T59-I61 PolarHBondContact O-N 3.42Å | ||
| 60 | E | 41.2 | Very low | 47.5 | Very low | 189 Ų | 189 | 114.3 Ų | 114.3 | 88% | 0.883 | 64% | 0.635 | S | S | * | * | trans | -70.1 | 85.3 | 163 | -69.6 | -168.2 | 153 | 0 | 0 | 109.4 | G58 H62 | G58-E60 PolarHBondContact O-N 2.85Å; G58-E60 VanDerWaalsContact O-N 3.09Å; E60-H62 PolarHBondContact O-N 3.31Å | ||
| 61 | I | 45.2 | Very low | 48.5 | Very low | 92 Ų | 92 | 113 Ų | 113 | 47% | 0.472 | 63% | 0.629 | S | S | . | * | trans | -66.9 | 117.7 | 170.2 | -57.9 | 175.6 | 0 | 0 | 0 | 107.2 | T59 D65 T66 | T59-I61 VanDerWaalsContact C-N 3.26Å; T59-I61 HydrophobicContact CG2-CG1 3.77Å; T59-I61 PolarHBondContact O-N 3.42Å; I61-D65 HydrophobicContact CG2-CB 3.71Å; I61-T66 HydrophobicContact CG2-CG2 3.81Å | ||
| 62 | H | 43.8 | Very low | 49.8 | Very low | 118 Ų | 118 | 108.2 Ų | 108.2 | 55% | 0.546 | 61% | 0.608 | S | S | . | * | trans | -67.9 | 149.5 | -176.6 | -143.7 | -117.8 | 0 | 0 | 0 | 109.5 | E60 E64 D65 | E60-H62 PolarHBondContact O-N 3.31Å; H62-E64 PolarHBondContact O-N 3.4Å; H62-E64 VanDerWaalsContact O-N 3.07Å; H62-D65 WeakPolarHBondContact CB-OD2 3.49Å; H62-D65 PolarHBondContact N-OD2 3.47Å; H62-D65 WeakPolarHBondContact O-CB 3.44Å; H62-D65 PolarHBondContact O-N 3Å | ||
| 63 | P | 41.7 | Very low | 51.6 | Low | 92 Ų | 92 | 107 Ų | 107 | 60% | 0.597 | 59% | 0.593 | S | S | * | * | G | 310 helix | trans | -54.7 | -34.9 | -177 | -29.2 | 36.9 | 0 | 0 | 0 | 113.5 | D65 T66 | P63-D65 PolarHBondContact O-N 3.31Å; P63-T66 PolarHBondContact O-N 3.36Å; P63-T66 PolarHBondContact O-OG1 3.4Å |
| 64 | E | 49.1 | Very low | 53 | Low | 147 Ų | 147 | 106.3 Ų | 106.3 | 69% | 0.687 | 58% | 0.576 | S | S | * | * | G | 310 helix | trans | -68.8 | -28.6 | 176.8 | -62 | 178.1 | 169.2 | 0 | 0 | 113.1 | H62 T66 M67 | H62-E64 PolarHBondContact O-N 3.4Å; H62-E64 VanDerWaalsContact O-N 3.07Å; E64-T66 PolarHBondContact O-N 3.06Å; E64-M67 PolarHBondContact O-N 3Å |
| 65 | D | 47.8 | Very low | 54.8 | Low | 21 Ų | 21 | 99.9 Ų | 99.9 | 11% | 0.112 | 55% | 0.545 | C | S | . | . | G | 310 helix | trans | -70.4 | -18.7 | 174.8 | -65.1 | -57.5 | 0 | 0 | 0 | 112.7 | I61 H62 P63 R74 M76 | I61-D65 HydrophobicContact CG2-CB 3.71Å; H62-D65 WeakPolarHBondContact CB-OD2 3.49Å; H62-D65 PolarHBondContact N-OD2 3.47Å; H62-D65 WeakPolarHBondContact O-CB 3.44Å; H62-D65 PolarHBondContact O-N 3Å; P63-D65 PolarHBondContact O-N 3.31Å; D65-R74 IonicContact OD1-CZ 2.65Å; D65-R74 IonicContact OD1-NE 2.77Å; D65-R74 PolarHBondContact OD1-NE 2.86Å; D65-R74 IonicContact OD1-NH2 3.25Å; D65-R74 PolarHBondContact OD1-NH2 3Å; D65-M76 HydrophobicContact CB-CE 4.29Å; D65-M76 HydrophobicContact CB-SD 4.38Å; D65-M76 WeakPolarHBondContact OD1-CE 3.22Å |
| 66 | T | 50.4 | Low | 56.8 | Low | 64 Ų | 64 | 96 Ų | 96 | 39% | 0.393 | 52% | 0.524 | S | S | . | . | G | 310 helix | trans | -84.3 | -16 | 175.8 | 70.9 | 0 | 0 | 0 | 0 | 113.6 | I61 P63 E64 L68 | I61-T66 HydrophobicContact CG2-CG2 3.81Å; P63-T66 PolarHBondContact O-N 3.36Å; P63-T66 PolarHBondContact O-OG1 3.4Å; E64-T66 PolarHBondContact O-N 3.06Å; T66-L68 PolarHBondContact O-N 3.05Å |
| 67 | M | 56.5 | Low | 59.2 | Low | 153 Ų | 153 | 91.9 Ų | 91.9 | 75% | 0.754 | 50% | 0.495 | S | S | * | . | trans | -84.5 | 50.7 | -174.2 | -66.8 | -164.3 | 67.8 | 0 | 0 | 113.1 | E64 | E64-M67 PolarHBondContact O-N 3Š| ||
| 68 | L | 62.1 | Low | 61.2 | Low | 21 Ų | 21 | 86.5 Ų | 86.5 | 11% | 0.11 | 46% | 0.456 | C | S | . | . | P | Polyproline II helix | trans | -74.6 | 140.1 | 173.3 | -63.5 | -177.3 | 0 | 0 | 0 | 112 | T66 A72 R74 V211 K213 L218 | T66-L68 PolarHBondContact O-N 3.05Å; L68-A72 HydrophobicContact CB-CB 4.38Å; L68-R74 HydrophobicContact CD2-CB 3.8Å; L68-V211 HydrophobicContact CD1-CB 4.28Å; L68-V211 HydrophobicContact CD1-CG1 3.88Å; L68-V211 WeakPolarHBondContact CD1-O 3.28Å; L68-K213 HydrophobicContact CB-CB 3.98Å; L68-K213 HydrophobicContact CB-CD 4.19Å; L68-K213 WeakPolarHBondContact O-CD 3.46Å; L68-K213 PolarHBondContact O-NZ 2.92Å; L68-L218 HydrophobicContact CB-CD2 4.41Å; L68-L218 HydrophobicContact CD1-CD2 4.08Å |
| 69 | E | 72.3 | Confident | 63.4 | Low | 160 Ų | 160 | 86.9 Ų | 86.9 | 75% | 0.748 | 45% | 0.446 | S | S | * | . | P | Polyproline II helix | trans | -70.8 | 163.5 | 164.3 | -62.5 | -167.7 | 160 | 0 | 0 | 111.1 | N71 A72 | E69-N71 PolarHBondContact O-N 3.4Å; E69-A72 HydrophobicContact CB-CB 4.07Å; E69-A72 WeakPolarHBondContact O-CB 3.28Å; E69-A72 PolarHBondContact O-N 3.43Å |
| 70 | E | 70.2 | Confident | 65.5 | Low | 91 Ų | 91 | 87.3 Ų | 87.3 | 43% | 0.425 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | 125.3 | -175.3 | -169.7 | 53.9 | -138.7 | 0 | 0 | 111.3 | A72 R214 E215 G216 | E70-A72 VanDerWaalsContact C-N 3.25Å; E70-A72 PolarHBondContact O-N 3.16Å; E70-R214 VanDerWaalsContact OE1-CA 3.3Å; E70-R214 WeakPolarHBondContact OE1-CA 3.47Å; E70-E215 PolarHBondContact OE1-N 3.43Å; E70-G216 PolarHBondContact OE2-N 2.93Å; E70-G216 VanDerWaalsContact OE2-N 3.12Å |
| 71 | N | 67.8 | Low | 67.7 | Low | 98 Ų | 98 | 78.7 Ų | 78.7 | 52% | 0.524 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.1 | -3.8 | -165.9 | -56.4 | -87.2 | 0 | 0 | 0 | 116.9 | E69 K212 K213 | E69-N71 PolarHBondContact O-N 3.4Å; N71-K212 PolarHBondContact O-NZ 2.8Å; N71-K213 WeakPolarHBondContact CA-O 3.44Å; N71-K213 PolarHBondContact N-O 3.33Å |
| 72 | A | 69.9 | Low | 69.8 | Low | 33 Ų | 33 | 79.2 Ų | 79.2 | 27% | 0.273 | 41% | 0.405 | S | S | . | . | trans | -64.4 | 153.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L68 E69 E70 K212 K213 | L68-A72 HydrophobicContact CB-CB 4.38Å; E69-A72 HydrophobicContact CB-CB 4.07Å; E69-A72 WeakPolarHBondContact O-CB 3.28Å; E69-A72 PolarHBondContact O-N 3.43Å; E70-A72 VanDerWaalsContact C-N 3.25Å; E70-A72 PolarHBondContact O-N 3.16Å; A72-K212 WeakPolarHBondContact O-CA 3.49Å; A72-K212 WeakPolarHBondContact O-CG 3.27Å; A72-K213 PolarHBondContact O-N 3.15Å; A72-K213 VanDerWaalsContact O-N 3.11Å | ||
| 73 | E | 75 | Confident | 72 | Confident | 100 Ų | 100 | 79.3 Ų | 79.3 | 47% | 0.467 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 133.1 | -173.9 | -171.4 | 174 | 117.7 | 0 | 0 | 109.7 | V210 V211 K212 | E73-V210 HydrophobicContact CG-CG1 3.72Å; E73-V211 CarbonylContact C-O 3.6Å; E73-V211 WeakPolarHBondContact CA-O 3.37Å; E73-K212 HydrophobicContact CB-CG 4.2Å; E73-K212 HydrophobicContact CG-CB 4.34Å; E73-K212 HydrophobicContact CG-CG 4.4Å; E73-K212 WeakPolarHBondContact OE2-CD 3.37Å; E73-K212 IonicContact OE2-NZ 3.89Å; E73-K212 PolarHBondContact OE2-NZ 3.43Å |
| 74 | R | 73.6 | Confident | 74.5 | Confident | 101 Ų | 101 | 77.3 Ų | 77.3 | 38% | 0.381 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 129.5 | -179.5 | -175.2 | 173.4 | 177.6 | 97.5 | -11.6 | 109.3 | D65 L68 M76 V211 | D65-R74 IonicContact OD1-CZ 2.65Å; D65-R74 IonicContact OD1-NE 2.77Å; D65-R74 PolarHBondContact OD1-NE 2.86Å; D65-R74 IonicContact OD1-NH2 3.25Å; D65-R74 PolarHBondContact OD1-NH2 3Å; L68-R74 HydrophobicContact CD2-CB 3.8Å; R74-M76 HydrophobicContact CG-CG 4.35Å; R74-V211 PolarHBondContact N-O 3.21Å; R74-V211 PolarHBondContact O-N 3.42Å |
| 75 | N | 80.7 | Confident | 76.6 | Confident | 51 Ų | 51 | 75.2 Ų | 75.2 | 27% | 0.273 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 109.9 | -170.5 | -70 | -24.8 | 0 | 0 | 0 | 109.5 | N179 V208 V209 V210 | N75-N179 PolarHBondContact O-ND2 3.3Å; N75-V208 HydrophobicContact CB-CG1 3.82Å; N75-V209 WeakPolarHBondContact CA-O 3.5Å; N75-V210 WeakPolarHBondContact OD1-CG1 3.2Å; N75-V210 WeakPolarHBondContact OD1-CG2 3.35Å |
| 76 | M | 81.3 | Confident | 78.8 | Confident | 61 Ų | 61 | 78.9 Ų | 78.9 | 30% | 0.3 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 142.2 | -172.7 | -60.1 | 177.3 | 78.9 | 0 | 0 | 112 | D65 R74 D78 V208 V209 | D65-M76 HydrophobicContact CB-CE 4.29Å; D65-M76 HydrophobicContact CB-SD 4.38Å; D65-M76 WeakPolarHBondContact OD1-CE 3.22Å; R74-M76 HydrophobicContact CG-CG 4.35Å; M76-D78 PolarHBondContact O-N 3.23Å; M76-V208 WeakPolarHBondContact O-CA 3.28Å; M76-V209 HydrophobicContact CB-CB 4.47Å; M76-V209 PolarHBondContact N-O 3.08Å; M76-V209 PolarHBondContact O-N 3.23Å |
| 77 | L | 87.9 | Confident | 81 | Confident | 33 Ų | 33 | 75.8 Ų | 75.8 | 17% | 0.173 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -43.6 | 108.4 | 162.3 | 164.2 | 153.4 | 0 | 0 | 0 | 113.8 | R82 F87 L180 V181 V206 | L77-R82 HydrophobicContact CD2-CB 3.84Å; L77-R82 HydrophobicContact CD2-CG 4.03Å; L77-R82 HydrophobicContact CG-CB 4.35Å; L77-F87 HydrophobicContact CD1-CE1 4.02Å; L77-F87 HydrophobicContact CD1-CZ 4.42Å; L77-F87 HydrophobicContact CD2-CE1 3.85Å; L77-F87 HydrophobicContact CD2-CZ 4.44Å; L77-L180 HydrophobicContact CD2-CD2 4.12Å; L77-V181 HydrophobicContact CB-CG2 3.91Å; L77-V181 HydrophobicContact CD1-CG2 4.01Å; L77-V181 HydrophobicContact CG-CG2 4.44Å; L77-V206 HydrophobicContact CD1-CB 3.62Å; L77-V206 HydrophobicContact CD1-CG1 3.86Å; L77-V206 HydrophobicContact CD1-CG2 4Å |
| 78 | D | 87.1 | Confident | 82.8 | Confident | 20 Ų | 20 | 72.7 Ų | 72.7 | 11% | 0.107 | 37% | 0.367 | C | S | . | . | trans | -62.4 | 128.4 | 167.3 | -173.9 | -73.1 | 0 | 0 | 0 | 110.1 | M76 T80 S81 R82 Q207 V209 H222 | M76-D78 PolarHBondContact O-N 3.23Å; D78-T80 PolarHBondContact O-N 3.41Å; D78-T80 WeakPolarHBondContact OD1-CB 3.27Å; D78-T80 PolarHBondContact OD1-N 3.13Å; D78-T80 PolarHBondContact OD1-OG1 2.95Å; D78-S81 CarbonylContact O-C 3.59Å; D78-S81 WeakPolarHBondContact O-CA 3.46Å; D78-S81 WeakPolarHBondContact O-CB 3.32Å; D78-S81 PolarHBondContact O-N 3.45Å; D78-R82 PolarHBondContact O-N 3.22Å; D78-Q207 HydrophobicContact CB-CB 3.67Å; D78-Q207 WeakPolarHBondContact CB-O 3.32Å; D78-Q207 PolarHBondContact N-O 2.84Å; D78-V209 HydrophobicContact CB-CG2 4.26Å; D78-H222 IonicContact OD2-CE1 3.44Å; D78-H222 IonicContact OD2-ND1 2.72Å; D78-H222 PolarHBondContact OD2-ND1 3.21Å | ||
| 79 | P | 85.3 | Confident | 84.5 | Confident | 80 Ų | 80 | 74.7 Ų | 74.7 | 52% | 0.519 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -56.1 | -34.8 | -176.8 | -28.2 | 35.8 | 0 | 0 | 0 | 114.3 | S81 R82 E83 | P79-S81 VanDerWaalsContact C-N 3.28Å; P79-S81 PolarHBondContact O-N 3.48Å; P79-R82 PolarHBondContact O-N 3.32Å; P79-E83 PolarHBondContact O-N 3.32Å; P79-E83 VanDerWaalsContact O-N 3.15Å |
| 80 | T | 86.1 | Confident | 85.7 | Confident | 108 Ų | 108 | 67 Ų | 67 | 66% | 0.663 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -68.6 | -30.2 | 177.4 | 69.3 | 0 | 0 | 0 | 0 | 112 | D78 N84 | D78-T80 PolarHBondContact O-N 3.41Å; D78-T80 WeakPolarHBondContact OD1-CB 3.27Å; D78-T80 PolarHBondContact OD1-N 3.13Å; D78-T80 PolarHBondContact OD1-OG1 2.95Å; T80-N84 PolarHBondContact O-N 3.32Å |
| 81 | S | 89.1 | Confident | 87 | Confident | 8 Ų | 8 | 64.4 Ų | 64.4 | 6% | 0.056 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -81.4 | -30.9 | 175.6 | -64.9 | 0 | 0 | 0 | 0 | 112.4 | D78 P79 E83 N84 F87 Q207 | D78-S81 CarbonylContact O-C 3.59Å; D78-S81 WeakPolarHBondContact O-CA 3.46Å; D78-S81 WeakPolarHBondContact O-CB 3.32Å; D78-S81 PolarHBondContact O-N 3.45Å; P79-S81 VanDerWaalsContact C-N 3.28Å; P79-S81 PolarHBondContact O-N 3.48Å; S81-E83 VanDerWaalsContact C-N 3.25Å; S81-E83 PolarHBondContact O-N 2.82Å; S81-N84 VanDerWaalsContact O-CB 3.26Å; S81-N84 WeakPolarHBondContact O-CB 3.29Å; S81-N84 PolarHBondContact O-N 3.01Å; S81-F87 WeakPolarHBondContact O-CD1 3.45Å; S81-Q207 WeakPolarHBondContact OG-CB 3.49Å; S81-Q207 PolarHBondContact OG-N 2.69Å |
| 82 | R | 88.9 | Confident | 88.4 | Confident | 104 Ų | 104 | 65.5 Ų | 65.5 | 39% | 0.392 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62 | -34.1 | 170 | -164.4 | 172.8 | 179.8 | 98.3 | 6.9 | 111.9 | L77 D78 P79 K88 E113 | L77-R82 HydrophobicContact CD2-CB 3.84Å; L77-R82 HydrophobicContact CD2-CG 4.03Å; L77-R82 HydrophobicContact CG-CB 4.35Å; D78-R82 PolarHBondContact O-N 3.22Å; P79-R82 PolarHBondContact O-N 3.32Å; R82-K88 WeakPolarHBondContact O-CE 3.43Å; R82-E113 IonicContact CZ-OE1 2.62Å; R82-E113 IonicContact CZ-OE2 2.72Å; R82-E113 IonicContact NH1-OE1 3.43Å; R82-E113 PolarHBondContact NH1-OE1 2.95Å; R82-E113 IonicContact NH1-OE2 3.69Å; R82-E113 PolarHBondContact NH1-OE2 2.96Å; R82-E113 IonicContact NH2-OE1 3.74Å; R82-E113 PolarHBondContact NH2-OE1 3.14Å; R82-E113 IonicContact NH2-OE2 2.9Å; R82-E113 PolarHBondContact NH2-OE2 3.15Å |
| 83 | E | 89.9 | Confident | 89.7 | Confident | 120 Ų | 120 | 64.8 Ų | 64.8 | 56% | 0.561 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -5.4 | 175.4 | -73.2 | -55.4 | 109.5 | 0 | 0 | 115.4 | P79 S81 P85 K88 | P79-E83 PolarHBondContact O-N 3.32Å; P79-E83 VanDerWaalsContact O-N 3.15Å; S81-E83 VanDerWaalsContact C-N 3.25Å; S81-E83 PolarHBondContact O-N 2.82Å; E83-P85 WeakPolarHBondContact O-CD 3.11Å; E83-K88 WeakPolarHBondContact OE1-CE 3.07Å; E83-K88 IonicContact OE1-NZ 3.86Å; E83-K88 PolarHBondContact OE1-NZ 3.46Å; E83-K88 IonicContact OE2-NZ 2.7Å; E83-K88 PolarHBondContact OE2-NZ 2.7Å |
| 84 | N | 92.8 | Very high | 90.8 | Very high | 49 Ų | 49 | 60 Ų | 60 | 26% | 0.262 | 30% | 0.297 | S | S | . | . | trans | -63.3 | 120.8 | -177.2 | -178.4 | -18.9 | 0 | 0 | 0 | 112.1 | T80 S81 K86 F87 K88 | T80-N84 PolarHBondContact O-N 3.32Å; S81-N84 VanDerWaalsContact O-CB 3.26Å; S81-N84 WeakPolarHBondContact O-CB 3.29Å; S81-N84 PolarHBondContact O-N 3.01Å; N84-K86 VanDerWaalsContact C-N 3.31Å; N84-K86 PolarHBondContact O-N 2.69Å; N84-K86 WeakPolarHBondContact OD1-CB 3.24Å; N84-K86 PolarHBondContact OD1-N 2.78Å; N84-F87 HydrophobicContact CB-CB 4.05Å; N84-F87 PolarHBondContact O-N 3.13Å; N84-K88 PolarHBondContact O-N 3.14Å | ||
| 85 | P | 94.2 | Very high | 92 | Very high | 104 Ų | 104 | 56.4 Ų | 56.4 | 68% | 0.675 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -56.6 | -38 | -178.6 | -27.6 | 35.7 | 0 | 0 | 0 | 114.5 | E83 F87 K88 D89 | E83-P85 WeakPolarHBondContact O-CD 3.11Å; P85-F87 VanDerWaalsContact C-N 3.31Å; P85-F87 PolarHBondContact O-N 3.44Å; P85-K88 PolarHBondContact O-N 2.95Å; P85-D89 WeakPolarHBondContact O-CB 3.39Å; P85-D89 PolarHBondContact O-N 2.77Å |
| 86 | K | 93.7 | Very high | 92.7 | Very high | 97 Ų | 97 | 57.1 Ų | 57.1 | 42% | 0.422 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63 | -37.6 | 175.7 | -94.6 | -167.1 | 175 | -156.9 | 0 | 112.2 | N84 L90 E202 H203 V204 | N84-K86 VanDerWaalsContact C-N 3.31Å; N84-K86 PolarHBondContact O-N 2.69Å; N84-K86 WeakPolarHBondContact OD1-CB 3.24Å; N84-K86 PolarHBondContact OD1-N 2.78Å; K86-L90 WeakPolarHBondContact O-CB 3.28Å; K86-L90 PolarHBondContact O-N 3.02Å; K86-E202 PolarHBondContact NZ-O 3.28Å; K86-H203 PolarHBondContact NZ-O 3.15Å; K86-V204 HydrophobicContact CB-CG1 4.47Å; K86-V204 HydrophobicContact CB-CG2 4.2Å; K86-V204 HydrophobicContact CD-CG2 4.35Å |
| 87 | F | 95.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -76.6 | -33.5 | 180 | -179 | -123.8 | 0 | 0 | 0 | 112 | L77 S81 N84 P85 L90 Q91 L180 V184 V204 V206 L227 | L77-F87 HydrophobicContact CD1-CE1 4.02Å; L77-F87 HydrophobicContact CD1-CZ 4.42Å; L77-F87 HydrophobicContact CD2-CE1 3.85Å; L77-F87 HydrophobicContact CD2-CZ 4.44Å; S81-F87 WeakPolarHBondContact O-CD1 3.45Å; N84-F87 HydrophobicContact CB-CB 4.05Å; N84-F87 PolarHBondContact O-N 3.13Å; P85-F87 VanDerWaalsContact C-N 3.31Å; P85-F87 PolarHBondContact O-N 3.44Å; F87-L90 HydrophobicContact CD2-CD2 4.45Å; F87-Q91 VanDerWaalsContact CD1-NE2 3.3Å; F87-Q91 VanDerWaalsContact CE1-NE2 3.3Å; F87-Q91 HydrophobicContact CE2-CG 4.37Å; F87-Q91 HydrophobicContact CZ-CG 4.39Å; F87-Q91 WeakPolarHBondContact O-CG 3.15Å; F87-Q91 PolarHBondContact O-N 3.47Å; F87-Q91 VanDerWaalsContact O-N 3.07Å; F87-Q91 PolarHBondContact O-NE2 3.37Å; F87-L180 HydrophobicContact CE1-CD2 3.75Å; F87-L180 HydrophobicContact CE1-CG 4.4Å; F87-L180 HydrophobicContact CZ-CD2 3.75Å; F87-L180 HydrophobicContact CZ-CG 3.89Å; F87-V184 HydrophobicContact CE2-CG1 4.42Å; F87-V184 HydrophobicContact CE2-CG2 4.2Å; F87-V204 HydrophobicContact CB-CG1 4.13Å; F87-V204 HydrophobicContact CD2-CG1 4.23Å; F87-V206 HydrophobicContact CB-CG1 4.17Å; F87-V206 HydrophobicContact CD1-CG1 4.03Å; F87-V206 HydrophobicContact CD2-CG1 3.74Å; F87-V206 HydrophobicContact CE1-CG1 4.36Å; F87-V206 HydrophobicContact CE2-CG1 4.1Å; F87-V206 HydrophobicContact CG-CG1 3.7Å; F87-V206 HydrophobicContact CZ-CG1 4.38Å; F87-L227 HydrophobicContact CD2-CD1 3.47Å; F87-L227 VanDerWaalsContact CD2-CD1 3.47Å; F87-L227 HydrophobicContact CE2-CD1 3.33Å; F87-L227 HydrophobicContact CZ-CD1 4.41Å |
| 88 | K | 96.2 | Very high | 93.9 | Very high | 88 Ų | 88 | 52.8 Ų | 52.8 | 38% | 0.383 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65.4 | -40.3 | 169.8 | -70.9 | -176.8 | 171.5 | -179.1 | 0 | 111.9 | R82 E83 N84 P85 Q91 R92 | R82-K88 WeakPolarHBondContact O-CE 3.43Å; E83-K88 WeakPolarHBondContact OE1-CE 3.07Å; E83-K88 IonicContact OE1-NZ 3.86Å; E83-K88 PolarHBondContact OE1-NZ 3.46Å; E83-K88 IonicContact OE2-NZ 2.7Å; E83-K88 PolarHBondContact OE2-NZ 2.7Å; N84-K88 PolarHBondContact O-N 3.14Å; P85-K88 PolarHBondContact O-N 2.95Å; K88-Q91 PolarHBondContact O-N 2.87Å; K88-R92 WeakPolarHBondContact O-CB 3.47Å; K88-R92 PolarHBondContact O-N 3.14Å |
| 89 | D | 96.1 | Very high | 94.4 | Very high | 62 Ų | 62 | 53.5 Ų | 53.5 | 33% | 0.332 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -68.4 | -39.1 | 175.6 | -166.4 | 51.2 | 0 | 0 | 0 | 112.6 | P85 Q91 R92 V93 P201 | P85-D89 WeakPolarHBondContact O-CB 3.39Å; P85-D89 PolarHBondContact O-N 2.77Å; D89-Q91 PolarHBondContact O-N 3.09Å; D89-R92 WeakPolarHBondContact O-CB 3.42Å; D89-R92 PolarHBondContact O-N 3.32Å; D89-R92 IonicContact OD1-CZ 3.25Å; D89-R92 VanDerWaalsContact OD1-CZ 3.25Å; D89-R92 IonicContact OD1-NE 2.69Å; D89-R92 PolarHBondContact OD1-NE 3.42Å; D89-R92 IonicContact OD1-NH2 2.92Å; D89-R92 PolarHBondContact OD1-NH2 3.13Å; D89-R92 IonicContact OD2-NH2 2.61Å; D89-V93 WeakPolarHBondContact O-CG2 3.25Å; D89-V93 PolarHBondContact O-N 2.87Å; D89-P201 HydrophobicContact CB-CG 4.37Å; D89-P201 WeakPolarHBondContact OD2-CG 3.42Å |
| 90 | L | 97.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.2 | -45.4 | 172 | 175.6 | 61.5 | 0 | 0 | 0 | 111.9 | K86 F87 V93 L94 V184 V188 L200 P201 V204 L227 T228 | K86-L90 WeakPolarHBondContact O-CB 3.28Å; K86-L90 PolarHBondContact O-N 3.02Å; F87-L90 HydrophobicContact CD2-CD2 4.45Å; L90-V93 PolarHBondContact O-N 3.2Å; L90-L94 HydrophobicContact CD1-CD1 4.23Å; L90-L94 HydrophobicContact CD1-CG 4.38Å; L90-L94 HydrophobicContact CG-CD1 4.32Å; L90-L94 WeakPolarHBondContact O-CG 3.23Å; L90-L94 PolarHBondContact O-N 3.29Å; L90-L94 VanDerWaalsContact O-N 3.1Å; L90-V184 HydrophobicContact CD2-CG1 3.79Å; L90-V184 HydrophobicContact CG-CG1 4.27Å; L90-V188 HydrophobicContact CD1-CG2 4.18Å; L90-L200 HydrophobicContact CD1-CB 4.39Å; L90-L200 HydrophobicContact CD1-CD2 3.94Å; L90-P201 HydrophobicContact CB-CG 4.41Å; L90-V204 HydrophobicContact CB-CG1 4.45Å; L90-V204 HydrophobicContact CB-CG2 4.41Å; L90-V204 HydrophobicContact CD2-CB 4.05Å; L90-V204 HydrophobicContact CD2-CG1 3.86Å; L90-V204 HydrophobicContact CD2-CG2 4.34Å; L90-L227 HydrophobicContact CD2-CB 4.01Å; L90-L227 HydrophobicContact CD2-CD1 4.03Å; L90-T228 HydrophobicContact CD1-CG2 3.94Å; L90-T228 HydrophobicContact CD2-CG2 4Å |
| 91 | Q | 97.9 | Very high | 95.3 | Very high | 35 Ų | 35 | 52.2 Ų | 52.2 | 16% | 0.164 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.5 | -45.4 | 174.6 | -73.6 | 167.1 | 80.9 | 0 | 0 | 111.7 | F87 K88 D89 L94 I95 L112 L180 V184 | F87-Q91 VanDerWaalsContact CD1-NE2 3.3Å; F87-Q91 VanDerWaalsContact CE1-NE2 3.3Å; F87-Q91 HydrophobicContact CE2-CG 4.37Å; F87-Q91 HydrophobicContact CZ-CG 4.39Å; F87-Q91 WeakPolarHBondContact O-CG 3.15Å; F87-Q91 PolarHBondContact O-N 3.47Å; F87-Q91 VanDerWaalsContact O-N 3.07Å; F87-Q91 PolarHBondContact O-NE2 3.37Å; K88-Q91 PolarHBondContact O-N 2.87Å; D89-Q91 PolarHBondContact O-N 3.09Å; Q91-L94 PolarHBondContact O-N 3.38Å; Q91-I95 VanDerWaalsContact O-CG1 3.27Å; Q91-I95 WeakPolarHBondContact O-CG1 3.5Å; Q91-I95 PolarHBondContact O-N 3.27Å; Q91-L112 HydrophobicContact CB-CD1 4.42Å; Q91-L112 HydrophobicContact CG-CD1 4.25Å; Q91-L180 HydrophobicContact CG-CD1 4.35Å; Q91-V184 HydrophobicContact CG-CG2 4.3Å |
| 92 | R | 97.8 | Very high | 95.6 | Very high | 121 Ų | 121 | 51.8 Ų | 51.8 | 46% | 0.457 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -57.9 | -51.6 | 177.1 | -176 | -165.1 | 61.6 | 79.6 | -4.4 | 111.5 | K88 D89 L94 I95 D96 | K88-R92 WeakPolarHBondContact O-CB 3.47Å; K88-R92 PolarHBondContact O-N 3.14Å; D89-R92 WeakPolarHBondContact O-CB 3.42Å; D89-R92 PolarHBondContact O-N 3.32Å; D89-R92 IonicContact OD1-CZ 3.25Å; D89-R92 VanDerWaalsContact OD1-CZ 3.25Å; D89-R92 IonicContact OD1-NE 2.69Å; D89-R92 PolarHBondContact OD1-NE 3.42Å; D89-R92 IonicContact OD1-NH2 2.92Å; D89-R92 PolarHBondContact OD1-NH2 3.13Å; D89-R92 IonicContact OD2-NH2 2.61Å; R92-L94 VanDerWaalsContact C-N 3.25Å; R92-L94 PolarHBondContact O-N 3.13Å; R92-I95 PolarHBondContact O-N 3.42Å; R92-I95 VanDerWaalsContact O-N 3.07Å; R92-D96 WeakPolarHBondContact CG-OD2 3.39Å; R92-D96 IonicContact CZ-OD2 3.74Å; R92-D96 IonicContact NH1-OD2 4Å; R92-D96 PolarHBondContact NH1-OD2 3.1Å; R92-D96 WeakPolarHBondContact O-CB 3.42Å; R92-D96 PolarHBondContact O-N 3.3Å |
| 93 | V | 97.1 | Very high | 95.8 | Very high | 18 Ų | 18 | 54 Ų | 54 | 11% | 0.109 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.4 | -36 | 179.2 | 172.1 | 0 | 0 | 0 | 0 | 112 | D89 L90 W97 I198 L200 | D89-V93 WeakPolarHBondContact O-CG2 3.25Å; D89-V93 PolarHBondContact O-N 2.87Å; L90-V93 PolarHBondContact O-N 3.2Å; V93-W97 VanDerWaalsContact O-CB 3.32Å; V93-W97 WeakPolarHBondContact O-CB 3.37Å; V93-W97 PolarHBondContact O-N 3.5Å; V93-I198 HydrophobicContact CG1-CB 4.24Å; V93-I198 HydrophobicContact CG1-CD1 4.27Å; V93-L200 HydrophobicContact CG1-CD2 4.02Å |
| 94 | L | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -71.9 | -36.8 | 174.5 | -70.2 | 173.5 | 0 | 0 | 0 | 113.1 | L90 Q91 R92 W97 I98 L112 V184 L187 V188 L200 | L90-L94 HydrophobicContact CD1-CD1 4.23Å; L90-L94 HydrophobicContact CD1-CG 4.38Å; L90-L94 HydrophobicContact CG-CD1 4.32Å; L90-L94 WeakPolarHBondContact O-CG 3.23Å; L90-L94 PolarHBondContact O-N 3.29Å; L90-L94 VanDerWaalsContact O-N 3.1Å; Q91-L94 PolarHBondContact O-N 3.38Å; R92-L94 VanDerWaalsContact C-N 3.25Å; R92-L94 PolarHBondContact O-N 3.13Å; L94-W97 HydrophobicContact CD2-CE3 4.14Å; L94-I98 VanDerWaalsContact O-CD1 3.31Å; L94-I98 WeakPolarHBondContact O-CD1 3.24Å; L94-I98 WeakPolarHBondContact O-CG1 3.31Å; L94-I98 PolarHBondContact O-N 3.06Å; L94-I98 VanDerWaalsContact O-N 3.09Å; L94-L112 HydrophobicContact CB-CD1 4.47Å; L94-V184 HydrophobicContact CD1-CB 4.5Å; L94-V184 HydrophobicContact CD1-CG1 4.01Å; L94-V184 HydrophobicContact CD1-CG2 4.31Å; L94-L187 HydrophobicContact CD1-CB 4.04Å; L94-L187 HydrophobicContact CD2-CB 4.07Å; L94-V188 HydrophobicContact CD1-CG2 4.15Å; L94-L200 HydrophobicContact CD2-CD2 3.75Å; L94-L200 HydrophobicContact CG-CD2 4.24Å |
| 95 | I | 98.3 | Very high | 95.8 | Very high | 26 Ų | 26 | 56.1 Ų | 56.1 | 13% | 0.133 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.1 | -48.2 | 175 | -69.2 | 166.4 | 0 | 0 | 0 | 110.4 | Q91 R92 W97 I98 N99 V109 L112 | Q91-I95 VanDerWaalsContact O-CG1 3.27Å; Q91-I95 WeakPolarHBondContact O-CG1 3.5Å; Q91-I95 PolarHBondContact O-N 3.27Å; R92-I95 PolarHBondContact O-N 3.42Å; R92-I95 VanDerWaalsContact O-N 3.07Å; I95-W97 VanDerWaalsContact C-N 3.27Å; I95-W97 PolarHBondContact O-N 3.05Å; I95-I98 PolarHBondContact O-N 3.29Å; I95-N99 WeakPolarHBondContact CG2-ND2 3.5Å; I95-N99 WeakPolarHBondContact O-CB 3.44Å; I95-N99 VanDerWaalsContact O-CG 3.29Å; I95-N99 PolarHBondContact O-N 3.01Å; I95-N99 PolarHBondContact O-ND2 3.35Å; I95-V109 HydrophobicContact CG1-CG1 4.02Å; I95-V109 HydrophobicContact CG2-CB 4.34Å; I95-V109 HydrophobicContact CG2-CG1 4.13Å; I95-V109 WeakPolarHBondContact CG2-O 3.34Å; I95-L112 HydrophobicContact CD1-CD2 4.45Å; I95-L112 HydrophobicContact CD1-CG 4.22Å; I95-L112 HydrophobicContact CG1-CD2 3.62Å; I95-L112 HydrophobicContact CG1-CG 3.89Å |
| 96 | D | 95.9 | Very high | 95.8 | Very high | 65 Ų | 65 | 61.9 Ų | 61.9 | 35% | 0.348 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -57.7 | -41.9 | 177.2 | -63.9 | -18.8 | 0 | 0 | 0 | 110.6 | R92 N100 | R92-D96 WeakPolarHBondContact CG-OD2 3.39Å; R92-D96 IonicContact CZ-OD2 3.74Å; R92-D96 IonicContact NH1-OD2 4Å; R92-D96 PolarHBondContact NH1-OD2 3.1Å; R92-D96 WeakPolarHBondContact O-CB 3.42Å; R92-D96 PolarHBondContact O-N 3.3Å; D96-N100 PolarHBondContact O-N 3.45Å; D96-N100 VanDerWaalsContact O-N 3.13Å; D96-N100 PolarHBondContact O-ND2 3.41Å; D96-N100 PolarHBondContact O-OD1 3.14Å |
| 97 | W | 97.2 | Very high | 95.9 | Very high | 3 Ų | 3 | 58.9 Ų | 58.9 | 1% | 0.011 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.6 | -55.1 | 173.9 | 176.2 | 44.9 | 0 | 0 | 0 | 113.1 | V93 L94 I95 N99 N100 E101 L125 L129 L187 L190 A191 A196 I198 | V93-W97 VanDerWaalsContact O-CB 3.32Å; V93-W97 WeakPolarHBondContact O-CB 3.37Å; V93-W97 PolarHBondContact O-N 3.5Å; L94-W97 HydrophobicContact CD2-CE3 4.14Å; I95-W97 VanDerWaalsContact C-N 3.27Å; I95-W97 PolarHBondContact O-N 3.05Å; W97-N99 PolarHBondContact O-N 3.12Å; W97-N100 PolarHBondContact O-N 3.25Å; W97-N100 VanDerWaalsContact O-N 3.1Å; W97-E101 HydrophobicContact CG-CG 4.43Å; W97-E101 HydrophobicContact CZ2-CG 4.49Å; W97-E101 PolarHBondContact NE1-OE1 3.17Å; W97-E101 WeakPolarHBondContact O-CG 3.39Å; W97-E101 PolarHBondContact O-N 3.37Å; W97-L125 HydrophobicContact CH2-CD1 4.19Å; W97-L125 HydrophobicContact CH2-CD2 4.04Å; W97-L125 HydrophobicContact CH2-CG 4.42Å; W97-L125 HydrophobicContact CZ2-CD1 4.24Å; W97-L125 HydrophobicContact CZ3-CD2 3.98Å; W97-L129 HydrophobicContact CH2-CD1 3.76Å; W97-L129 HydrophobicContact CZ2-CD1 3.64Å; W97-L129 HydrophobicContact CZ2-CD2 4.05Å; W97-L129 HydrophobicContact CZ2-CG 4.45Å; W97-L187 HydrophobicContact CZ3-CD2 4.47Å; W97-L190 HydrophobicContact CH2-CB 4.16Å; W97-A191 HydrophobicContact CD2-CB 4.43Å; W97-A191 HydrophobicContact CE3-CB 4.04Å; W97-A191 HydrophobicContact CH2-CB 3.76Å; W97-A191 HydrophobicContact CZ2-CB 4.16Å; W97-A191 HydrophobicContact CZ3-CB 3.7Å; W97-A196 HydrophobicContact CD2-CB 4.43Å; W97-A196 HydrophobicContact CZ2-CB 3.9Å; W97-I198 HydrophobicContact CB-CD1 3.76Å; W97-I198 HydrophobicContact CB-CG2 3.97Å; W97-I198 HydrophobicContact CD2-CD1 3.91Å; W97-I198 HydrophobicContact CE3-CD1 4.3Å; W97-I198 HydrophobicContact CG-CD1 3.65Å; W97-I198 HydrophobicContact CG-CG2 4.05Å |
| 98 | I | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.2 | -37 | -175.9 | -63.8 | 160.8 | 0 | 0 | 0 | 110.9 | L94 I95 E101 L102 V109 L112 V121 L125 L187 | L94-I98 VanDerWaalsContact O-CD1 3.31Å; L94-I98 WeakPolarHBondContact O-CD1 3.24Å; L94-I98 WeakPolarHBondContact O-CG1 3.31Å; L94-I98 PolarHBondContact O-N 3.06Å; L94-I98 VanDerWaalsContact O-N 3.09Å; I95-I98 PolarHBondContact O-N 3.29Å; I98-E101 PolarHBondContact O-N 3.43Å; I98-L102 HydrophobicContact CG2-CD1 3.8Å; I98-L102 HydrophobicContact CG2-CG 4.43Å; I98-L102 WeakPolarHBondContact O-CB 3.27Å; I98-L102 WeakPolarHBondContact O-CG 3.39Å; I98-L102 PolarHBondContact O-N 2.86Å; I98-V109 HydrophobicContact CB-CG2 4.42Å; I98-V109 HydrophobicContact CG2-CG2 3.71Å; I98-L112 HydrophobicContact CD1-CD2 4.04Å; I98-V121 HydrophobicContact CG2-CG1 3.69Å; I98-L125 HydrophobicContact CG1-CD1 4.27Å; I98-L125 HydrophobicContact CG1-CD2 4.02Å; I98-L125 HydrophobicContact CG2-CD1 4.49Å; I98-L187 HydrophobicContact CD1-CD1 3.84Å; I98-L187 HydrophobicContact CD1-CD2 3.73Å; I98-L187 HydrophobicContact CD1-CG 4.4Å; I98-L187 HydrophobicContact CG1-CD2 4.41Å |
| 99 | N | 97.6 | Very high | 96 | Very high | 35 Ų | 35 | 60.6 Ų | 60.6 | 19% | 0.187 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.3 | -40.7 | 175.8 | -73.5 | -24.7 | 0 | 0 | 0 | 112.1 | I95 W97 L102 E103 I108 V109 | I95-N99 WeakPolarHBondContact CG2-ND2 3.5Å; I95-N99 WeakPolarHBondContact O-CB 3.44Å; I95-N99 VanDerWaalsContact O-CG 3.29Å; I95-N99 PolarHBondContact O-N 3.01Å; I95-N99 PolarHBondContact O-ND2 3.35Å; W97-N99 PolarHBondContact O-N 3.12Å; N99-L102 PolarHBondContact O-N 3.17Å; N99-E103 PolarHBondContact O-N 3.33Å; N99-I108 WeakPolarHBondContact OD1-CA 3.47Å; N99-V109 PolarHBondContact ND2-O 3.43Å; N99-V109 PolarHBondContact OD1-N 2.88Å |
| 100 | N | 94.3 | Very high | 96 | Very high | 122 Ų | 122 | 66 Ų | 66 | 65% | 0.652 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -68.8 | -41.3 | 176.4 | -66.2 | -10.3 | 0 | 0 | 0 | 112.1 | D96 W97 L102 | D96-N100 PolarHBondContact O-N 3.45Å; D96-N100 VanDerWaalsContact O-N 3.13Å; D96-N100 PolarHBondContact O-ND2 3.41Å; D96-N100 PolarHBondContact O-OD1 3.14Å; W97-N100 PolarHBondContact O-N 3.25Å; W97-N100 VanDerWaalsContact O-N 3.1Å; N100-L102 VanDerWaalsContact C-N 3.29Å; N100-L102 PolarHBondContact O-N 2.95Å |
| 101 | E | 94.4 | Very high | 96 | Very high | 39 Ų | 39 | 67.2 Ų | 67.2 | 18% | 0.182 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.9 | -30.9 | 177.5 | -65.3 | -72.8 | 176.7 | 0 | 0 | 112.6 | W97 I98 L125 K128 | W97-E101 HydrophobicContact CG-CG 4.43Å; W97-E101 HydrophobicContact CZ2-CG 4.49Å; W97-E101 PolarHBondContact NE1-OE1 3.17Å; W97-E101 WeakPolarHBondContact O-CG 3.39Å; W97-E101 PolarHBondContact O-N 3.37Å; I98-E101 PolarHBondContact O-N 3.43Å; E101-L125 HydrophobicContact CB-CD1 4.05Å; E101-L125 HydrophobicContact CG-CD1 4.2Å; E101-K128 WeakPolarHBondContact O-CE 3.43Å |
| 102 | L | 96.1 | Very high | 96 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | 15.4 | -172.1 | -56.4 | -179.1 | 0 | 0 | 0 | 114.6 | I98 N99 N100 E104 D105 R106 I107 V121 K124 L125 K128 | I98-L102 HydrophobicContact CG2-CD1 3.8Å; I98-L102 HydrophobicContact CG2-CG 4.43Å; I98-L102 WeakPolarHBondContact O-CB 3.27Å; I98-L102 WeakPolarHBondContact O-CG 3.39Å; I98-L102 PolarHBondContact O-N 2.86Å; N99-L102 PolarHBondContact O-N 3.17Å; N100-L102 VanDerWaalsContact C-N 3.29Å; N100-L102 PolarHBondContact O-N 2.95Å; L102-E104 VanDerWaalsContact C-N 3.3Å; L102-E104 PolarHBondContact O-N 3.38Å; L102-D105 CarbonylContact O-C 3.59Å; L102-D105 PolarHBondContact O-N 2.85Å; L102-D105 VanDerWaalsContact O-N 3.17Å; L102-R106 PolarHBondContact O-N 2.98Å; L102-R106 VanDerWaalsContact O-N 3.14Å; L102-I107 HydrophobicContact CB-CB 3.94Å; L102-I107 HydrophobicContact CB-CD1 4.41Å; L102-I107 HydrophobicContact CB-CG2 4.47Å; L102-I107 HydrophobicContact CD1-CB 4.34Å; L102-I107 HydrophobicContact CD1-CD1 4.05Å; L102-I107 HydrophobicContact CD1-CG2 4.12Å; L102-I107 PolarHBondContact O-N 2.61Å; L102-V121 HydrophobicContact CD1-CG1 4.4Å; L102-K124 HydrophobicContact CD1-CB 4.03Å; L102-K124 HydrophobicContact CD2-CB 4.14Å; L102-L125 HydrophobicContact CD1-CB 4.34Å; L102-K128 HydrophobicContact CD2-CB 4.03Å; L102-K128 HydrophobicContact CD2-CG 4.37Å |
| 103 | E | 92.6 | Very high | 95.9 | Very high | 149 Ų | 149 | 61.9 Ų | 61.9 | 70% | 0.696 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -42.7 | 176.7 | -174.3 | 178 | -158.1 | 0 | 0 | 111.6 | N99 D105 R106 | N99-E103 PolarHBondContact O-N 3.33Å; E103-D105 VanDerWaalsContact C-N 3.34Å; E103-D105 PolarHBondContact O-N 3.3Å; E103-R106 WeakPolarHBondContact O-CA 3.41Å; E103-R106 PolarHBondContact O-N 3.11Å |
| 104 | E | 90.8 | Very high | 95.8 | Very high | 153 Ų | 153 | 66.3 Ų | 66.3 | 72% | 0.715 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -37.4 | 177.5 | -63.6 | -177.6 | 135.6 | 0 | 0 | 113 | L102 R106 K128 | L102-E104 VanDerWaalsContact C-N 3.3Å; L102-E104 PolarHBondContact O-N 3.38Å; E104-R106 PolarHBondContact O-N 2.65Å; E104-K128 IonicContact OE2-NZ 3.33Å; E104-K128 PolarHBondContact OE2-NZ 3Å |
| 105 | D | 92.5 | Very high | 95.8 | Very high | 61 Ų | 61 | 68.6 Ų | 68.6 | 33% | 0.326 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -6.2 | 173.6 | -89.9 | -81.8 | 0 | 0 | 0 | 112.5 | L102 E103 I107 K124 | L102-D105 CarbonylContact O-C 3.59Å; L102-D105 PolarHBondContact O-N 2.85Å; L102-D105 VanDerWaalsContact O-N 3.17Å; E103-D105 VanDerWaalsContact C-N 3.34Å; E103-D105 PolarHBondContact O-N 3.3Å; D105-I107 VanDerWaalsContact C-N 3.28Å; D105-I107 HydrophobicContact CB-CD1 3.84Å; D105-I107 HydrophobicContact CB-CG1 4.11Å; D105-I107 PolarHBondContact O-N 2.92Å; D105-K124 WeakPolarHBondContact OD1-CE 3.48Å; D105-K124 IonicContact OD1-NZ 3.98Å; D105-K124 PolarHBondContact OD1-NZ 3.04Å |
| 106 | R | 94.8 | Very high | 95.8 | Very high | 226 Ų | 226 | 67.3 Ų | 67.3 | 85% | 0.853 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | 32.4 | -178.1 | -53.1 | 179.5 | 180 | 179.5 | -1.3 | 114 | L102 E103 E104 | L102-R106 PolarHBondContact O-N 2.98Å; L102-R106 VanDerWaalsContact O-N 3.14Å; E103-R106 WeakPolarHBondContact O-CA 3.41Å; E103-R106 PolarHBondContact O-N 3.11Å; E104-R106 PolarHBondContact O-N 2.65Å |
| 107 | I | 94.7 | Very high | 95.8 | Very high | 33 Ų | 33 | 67.2 Ų | 67.2 | 17% | 0.169 | 32% | 0.318 | C | S | . | . | trans | -91.6 | 133.5 | 178.1 | -65.5 | 168.2 | 0 | 0 | 0 | 108.5 | L102 D105 V109 V121 K124 | L102-I107 HydrophobicContact CB-CB 3.94Å; L102-I107 HydrophobicContact CB-CD1 4.41Å; L102-I107 HydrophobicContact CB-CG2 4.47Å; L102-I107 HydrophobicContact CD1-CB 4.34Å; L102-I107 HydrophobicContact CD1-CD1 4.05Å; L102-I107 HydrophobicContact CD1-CG2 4.12Å; L102-I107 PolarHBondContact O-N 2.61Å; D105-I107 VanDerWaalsContact C-N 3.28Å; D105-I107 HydrophobicContact CB-CD1 3.84Å; D105-I107 HydrophobicContact CB-CG1 4.11Å; D105-I107 PolarHBondContact O-N 2.92Å; I107-V109 HydrophobicContact CG2-CG2 4.49Å; I107-V121 HydrophobicContact CG2-CG2 3.99Å; I107-K124 HydrophobicContact CD1-CB 3.67Å; I107-K124 HydrophobicContact CD1-CD 4.17Å; I107-K124 HydrophobicContact CD1-CG 3.61Å | ||
| 108 | I | 96.6 | Very high | 95.7 | Very high | 122 Ų | 122 | 68.7 Ų | 68.7 | 63% | 0.626 | 33% | 0.326 | S | S | * | . | trans | -129.9 | 103.9 | 178.8 | -55.6 | 177.2 | 0 | 0 | 0 | 108.9 | N99 | N99-I108 WeakPolarHBondContact OD1-CA 3.47Š| ||
| 109 | V | 97.6 | Very high | 95.6 | Very high | 3 Ų | 3 | 68.7 Ų | 68.7 | 2% | 0.018 | 33% | 0.326 | C | S | . | . | trans | -78.4 | 137.9 | 170.8 | 179.3 | 0 | 0 | 0 | 0 | 109.9 | I95 I98 N99 I107 L112 D115 V121 | I95-V109 HydrophobicContact CG1-CG1 4.02Å; I95-V109 HydrophobicContact CG2-CB 4.34Å; I95-V109 HydrophobicContact CG2-CG1 4.13Å; I95-V109 WeakPolarHBondContact CG2-O 3.34Å; I98-V109 HydrophobicContact CB-CG2 4.42Å; I98-V109 HydrophobicContact CG2-CG2 3.71Å; N99-V109 PolarHBondContact ND2-O 3.43Å; N99-V109 PolarHBondContact OD1-N 2.88Å; I107-V109 HydrophobicContact CG2-CG2 4.49Å; V109-L112 HydrophobicContact CG1-CD2 4.12Å; V109-D115 WeakPolarHBondContact CA-OD2 3.26Å; V109-D115 HydrophobicContact CB-CB 4.49Å; V109-D115 HydrophobicContact CG1-CB 4.06Å; V109-D115 HydrophobicContact CG2-CB 4.3Å; V109-V121 HydrophobicContact CG2-CG1 3.74Å; V109-V121 HydrophobicContact CG2-CG2 4.08Å | ||
| 110 | K | 96.3 | Very high | 95.5 | Very high | 176 Ų | 176 | 69.2 Ų | 69.2 | 77% | 0.765 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -126.2 | -25.1 | 176.3 | -63.2 | 176.1 | -175.4 | 170.9 | 0 | 112.7 | D115 | K110-D115 PolarHBondContact N-OD2 3.17Š|
| 111 | G | 96.3 | Very high | 95.6 | Very high | 24 Ų | 24 | 63.9 Ų | 63.9 | 25% | 0.247 | 30% | 0.299 | C | S | . | . | trans | -158.4 | 118.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | E113 E114 D115 | G111-E113 PolarHBondContact O-N 3.15Å; G111-E113 VanDerWaalsContact O-N 3.11Å; G111-E114 PolarHBondContact O-N 3.42Å; G111-D115 PolarHBondContact N-OD2 2.94Å; G111-D115 PolarHBondContact O-N 2.56Å | ||
| 112 | L | 97.9 | Very high | 95.8 | Very high | 3 Ų | 3 | 62.2 Ų | 62.2 | 2% | 0.016 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -55.7 | -34.5 | -172.6 | -59.3 | 179.8 | 0 | 0 | 0 | 113.7 | Q91 L94 I95 I98 V109 C116 L180 I183 V184 L187 | Q91-L112 HydrophobicContact CB-CD1 4.42Å; Q91-L112 HydrophobicContact CG-CD1 4.25Å; L94-L112 HydrophobicContact CB-CD1 4.47Å; I95-L112 HydrophobicContact CD1-CD2 4.45Å; I95-L112 HydrophobicContact CD1-CG 4.22Å; I95-L112 HydrophobicContact CG1-CD2 3.62Å; I95-L112 HydrophobicContact CG1-CG 3.89Å; I98-L112 HydrophobicContact CD1-CD2 4.04Å; V109-L112 HydrophobicContact CG1-CD2 4.12Å; L112-C116 VanDerWaalsContact O-CB 3.24Å; L112-C116 WeakPolarHBondContact O-CB 3.5Å; L112-C116 PolarHBondContact O-N 2.93Å; L112-L180 HydrophobicContact CB-CD1 3.93Å; L112-L180 HydrophobicContact CD1-CD1 4.23Å; L112-I183 HydrophobicContact CB-CG2 3.97Å; L112-V184 HydrophobicContact CD1-CG2 3.85Å; L112-L187 HydrophobicContact CD1-CD1 4.02Å; L112-L187 HydrophobicContact CD2-CD1 3.74Å; L112-L187 HydrophobicContact CG-CD1 4.41Å |
| 113 | E | 96.1 | Very high | 95.8 | Very high | 41 Ų | 41 | 62.7 Ų | 62.7 | 19% | 0.192 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -68 | -32.9 | 176 | -69.9 | 168.8 | 135.7 | 0 | 0 | 113.5 | R82 G111 K178 L180 | R82-E113 IonicContact CZ-OE1 2.62Å; R82-E113 IonicContact CZ-OE2 2.72Å; R82-E113 IonicContact NH1-OE1 3.43Å; R82-E113 PolarHBondContact NH1-OE1 2.95Å; R82-E113 IonicContact NH1-OE2 3.69Å; R82-E113 PolarHBondContact NH1-OE2 2.96Å; R82-E113 IonicContact NH2-OE1 3.74Å; R82-E113 PolarHBondContact NH2-OE1 3.14Å; R82-E113 IonicContact NH2-OE2 2.9Å; R82-E113 PolarHBondContact NH2-OE2 3.15Å; G111-E113 PolarHBondContact O-N 3.15Å; G111-E113 VanDerWaalsContact O-N 3.11Å; E113-K178 HydrophobicContact CB-CB 4.24Å; E113-K178 WeakPolarHBondContact O-CD 3.49Å; E113-K178 VanDerWaalsContact O-CE 3.3Å; E113-K178 WeakPolarHBondContact O-CE 3.37Å; E113-K178 VanDerWaalsContact O-CG 3.3Å; E113-K178 WeakPolarHBondContact O-CG 3.35Å; E113-L180 HydrophobicContact CG-CB 3.7Å; E113-L180 HydrophobicContact CG-CD1 4.08Å; E113-L180 HydrophobicContact CG-CG 4.29Å; E113-L180 WeakPolarHBondContact OE1-CB 3.32Å |
| 114 | E | 96.4 | Very high | 96 | Very high | 112 Ų | 112 | 57.8 Ų | 57.8 | 52% | 0.523 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -93.8 | -30.2 | -174.9 | -64.4 | -56.6 | 127.4 | 0 | 0 | 112.7 | G111 Y117 K178 | G111-E114 PolarHBondContact O-N 3.42Å; E114-Y117 VanDerWaalsContact O-CD1 3.22Å; E114-Y117 WeakPolarHBondContact O-CD1 3.39Å; E114-Y117 VanDerWaalsContact O-CE1 3.31Å; E114-Y117 WeakPolarHBondContact O-CE1 3.5Å; E114-K178 IonicContact OE1-NZ 3.49Å; E114-K178 PolarHBondContact OE1-NZ 3.48Å; E114-K178 IonicContact OE2-NZ 3.68Å; E114-K178 PolarHBondContact OE2-NZ 3.03Å |
| 115 | D | 97.4 | Very high | 96.4 | Very high | 47 Ų | 47 | 50.5 Ų | 50.5 | 25% | 0.251 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -100 | -20.1 | -174 | -57 | -53.4 | 0 | 0 | 0 | 113.8 | V109 K110 G111 V121 | V109-D115 WeakPolarHBondContact CA-OD2 3.26Å; V109-D115 HydrophobicContact CB-CB 4.49Å; V109-D115 HydrophobicContact CG1-CB 4.06Å; V109-D115 HydrophobicContact CG2-CB 4.3Å; K110-D115 PolarHBondContact N-OD2 3.17Å; G111-D115 PolarHBondContact N-OD2 2.94Å; G111-D115 PolarHBondContact O-N 2.56Å; D115-V121 HydrophobicContact CB-CG2 4.3Å; D115-V121 WeakPolarHBondContact O-CB 3.49Å; D115-V121 WeakPolarHBondContact O-CG2 3.42Å |
| 116 | C | 97.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -101.4 | -16.6 | -178 | -58.7 | 0 | 0 | 0 | 0 | 115 | L112 D118 G119 L122 I183 | L112-C116 VanDerWaalsContact O-CB 3.24Å; L112-C116 WeakPolarHBondContact O-CB 3.5Å; L112-C116 PolarHBondContact O-N 2.93Å; C116-D118 VanDerWaalsContact C-N 3.3Å; C116-D118 PolarHBondContact O-N 3.47Å; C116-G119 PolarHBondContact O-N 2.92Å; C116-L122 HydrophobicContact CB-CD1 4.19Å; C116-L122 HydrophobicContact CB-CD2 4.18Å; C116-L122 HydrophobicContact CB-CG 4.01Å; C116-L122 WeakPolarHBondContact O-CD1 3.38Å; C116-I183 HydrophobicContact CB-CG2 4Å |
| 117 | Y | 96.8 | Very high | 96.7 | Very high | 62 Ų | 62 | 37.7 Ų | 37.7 | 24% | 0.243 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -22.4 | -168.2 | 85.4 | -77.6 | 0 | 0 | 0 | 114.9 | E114 L150 I175 H176 K178 | E114-Y117 VanDerWaalsContact O-CD1 3.22Å; E114-Y117 WeakPolarHBondContact O-CD1 3.39Å; E114-Y117 VanDerWaalsContact O-CE1 3.31Å; E114-Y117 WeakPolarHBondContact O-CE1 3.5Å; Y117-L150 WeakPolarHBondContact O-CD1 3.28Å; Y117-I175 WeakPolarHBondContact CA-O 3.38Å; Y117-I175 WeakPolarHBondContact CB-O 3.42Å; Y117-H176 WeakPolarHBondContact O-CA 3.18Å; Y117-H176 PolarHBondContact O-CD2 2.63Å; Y117-K178 HydrophobicContact CD2-CG 4.49Å; Y117-K178 HydrophobicContact CG-CG 4.06Å |
| 118 | D | 94.5 | Very high | 96.7 | Very high | 34 Ų | 34 | 40.1 Ų | 40.1 | 18% | 0.182 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -9.3 | 179.3 | 78.5 | -17.3 | 0 | 0 | 0 | 113.1 | C116 Q120 Q146 K149 | C116-D118 VanDerWaalsContact C-N 3.3Å; C116-D118 PolarHBondContact O-N 3.47Å; D118-Q120 WeakPolarHBondContact OD1-CB 3.38Å; D118-Q120 PolarHBondContact OD1-N 2.89Å; D118-Q146 HydrophobicContact CB-CB 4.5Å; D118-Q146 HydrophobicContact CB-CG 3.95Å; D118-K149 WeakPolarHBondContact O-CD 3.31Å |
| 119 | G | 95.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | S | Bend | trans | 86 | -2.9 | -177 | 0 | 0 | 0 | 0 | 0 | 115.8 | C116 Q123 L150 | C116-G119 PolarHBondContact O-N 2.92Å; G119-Q123 WeakPolarHBondContact O-CB 3.43Å; G119-Q123 PolarHBondContact O-N 2.83Å; G119-L150 VanDerWaalsContact CA-CD2 3.47Å |
| 120 | Q | 95.7 | Very high | 96.2 | Very high | 47 Ų | 47 | 36.7 Ų | 36.7 | 22% | 0.22 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67.8 | -52.3 | -174.9 | -175.1 | 69 | 2 | 0 | 0 | 112.5 | D118 L122 Q123 K124 E138 | D118-Q120 WeakPolarHBondContact OD1-CB 3.38Å; D118-Q120 PolarHBondContact OD1-N 2.89Å; Q120-L122 VanDerWaalsContact C-N 3.31Å; Q120-L122 PolarHBondContact O-N 3.27Å; Q120-Q123 PolarHBondContact O-N 3.24Å; Q120-K124 PolarHBondContact O-N 3.25Å; Q120-K124 VanDerWaalsContact O-N 3.11Å; Q120-E138 PolarHBondContact NE2-O 3.43Å; Q120-E138 PolarHBondContact OE1-O 2.72Å; Q120-E138 VanDerWaalsContact OE1-O 3.13Å |
| 121 | V | 97.3 | Very high | 96 | Very high | 10 Ų | 10 | 31.8 Ų | 31.8 | 6% | 0.061 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63 | -41 | 177.5 | 171.7 | 0 | 0 | 0 | 0 | 110.7 | I98 L102 I107 V109 D115 K124 L125 | I98-V121 HydrophobicContact CG2-CG1 3.69Å; L102-V121 HydrophobicContact CD1-CG1 4.4Å; I107-V121 HydrophobicContact CG2-CG2 3.99Å; V109-V121 HydrophobicContact CG2-CG1 3.74Å; V109-V121 HydrophobicContact CG2-CG2 4.08Å; D115-V121 HydrophobicContact CB-CG2 4.3Å; D115-V121 WeakPolarHBondContact O-CB 3.49Å; D115-V121 WeakPolarHBondContact O-CG2 3.42Å; V121-K124 PolarHBondContact O-N 2.9Å; V121-L125 VanDerWaalsContact O-CB 3.32Å; V121-L125 WeakPolarHBondContact O-CB 3.28Å; V121-L125 PolarHBondContact O-N 3.48Å |
| 122 | L | 97.9 | Very high | 95.8 | Very high | 3 Ų | 3 | 38.5 Ų | 38.5 | 2% | 0.016 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.2 | -39.4 | 179.9 | -61.7 | 175.4 | 0 | 0 | 0 | 112.3 | C116 Q120 F126 L150 V153 I175 L186 L187 | C116-L122 HydrophobicContact CB-CD1 4.19Å; C116-L122 HydrophobicContact CB-CD2 4.18Å; C116-L122 HydrophobicContact CB-CG 4.01Å; C116-L122 WeakPolarHBondContact O-CD1 3.38Å; Q120-L122 VanDerWaalsContact C-N 3.31Å; Q120-L122 PolarHBondContact O-N 3.27Å; L122-F126 WeakPolarHBondContact O-CB 3.29Å; L122-F126 PolarHBondContact O-N 2.73Å; L122-F126 VanDerWaalsContact O-N 3.08Å; L122-L150 HydrophobicContact CD1-CD2 4.11Å; L122-V153 HydrophobicContact CB-CG1 4.02Å; L122-I175 HydrophobicContact CD1-CG2 3.74Å; L122-L186 HydrophobicContact CD1-CD2 3.72Å; L122-L186 HydrophobicContact CD2-CD2 3.85Å; L122-L186 HydrophobicContact CG-CD2 4.37Å; L122-L187 HydrophobicContact CD2-CD2 3.94Å |
| 123 | Q | 97.1 | Very high | 95.6 | Very high | 11 Ų | 11 | 45.6 Ų | 45.6 | 5% | 0.051 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57 | -55.9 | 169.8 | 179.8 | -162.9 | -18.7 | 0 | 0 | 110 | G119 Q120 L125 F126 E127 L134 V136 V153 | G119-Q123 WeakPolarHBondContact O-CB 3.43Å; G119-Q123 PolarHBondContact O-N 2.83Å; Q120-Q123 PolarHBondContact O-N 3.24Å; Q123-L125 PolarHBondContact O-N 3.32Å; Q123-F126 PolarHBondContact O-N 3.27Å; Q123-F126 VanDerWaalsContact O-N 3.15Å; Q123-E127 HydrophobicContact CG-CG 4.21Å; Q123-E127 PolarHBondContact NE2-OE1 3Å; Q123-E127 WeakPolarHBondContact O-CG 3.47Å; Q123-E127 PolarHBondContact O-N 3.07Å; Q123-L134 HydrophobicContact CG-CB 4.45Å; Q123-L134 HydrophobicContact CG-CD1 4.2Å; Q123-V136 HydrophobicContact CG-CG2 3.92Å; Q123-V153 HydrophobicContact CB-CG2 3.72Å; Q123-V153 HydrophobicContact CG-CG2 4.27Å |
| 124 | K | 97.1 | Very high | 95.5 | Very high | 46 Ų | 46 | 45 Ų | 45 | 20% | 0.2 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63 | -43.5 | -171.9 | -76.4 | -76.4 | -167.5 | 167.6 | 0 | 112.4 | L102 D105 I107 Q120 V121 E127 K128 | L102-K124 HydrophobicContact CD1-CB 4.03Å; L102-K124 HydrophobicContact CD2-CB 4.14Å; D105-K124 WeakPolarHBondContact OD1-CE 3.48Å; D105-K124 IonicContact OD1-NZ 3.98Å; D105-K124 PolarHBondContact OD1-NZ 3.04Å; I107-K124 HydrophobicContact CD1-CB 3.67Å; I107-K124 HydrophobicContact CD1-CD 4.17Å; I107-K124 HydrophobicContact CD1-CG 3.61Å; Q120-K124 PolarHBondContact O-N 3.25Å; Q120-K124 VanDerWaalsContact O-N 3.11Å; V121-K124 PolarHBondContact O-N 2.9Å; K124-E127 PolarHBondContact O-N 2.88Å; K124-K128 WeakPolarHBondContact O-CB 3.38Å; K124-K128 PolarHBondContact O-N 3.09Å |
| 125 | L | 97.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.3 | -48.5 | 172.3 | -174.6 | 67.8 | 0 | 0 | 0 | 111.3 | W97 I98 E101 L102 V121 Q123 E127 K128 L129 L187 L190 | W97-L125 HydrophobicContact CH2-CD1 4.19Å; W97-L125 HydrophobicContact CH2-CD2 4.04Å; W97-L125 HydrophobicContact CH2-CG 4.42Å; W97-L125 HydrophobicContact CZ2-CD1 4.24Å; W97-L125 HydrophobicContact CZ3-CD2 3.98Å; I98-L125 HydrophobicContact CG1-CD1 4.27Å; I98-L125 HydrophobicContact CG1-CD2 4.02Å; I98-L125 HydrophobicContact CG2-CD1 4.49Å; E101-L125 HydrophobicContact CB-CD1 4.05Å; E101-L125 HydrophobicContact CG-CD1 4.2Å; L102-L125 HydrophobicContact CD1-CB 4.34Å; V121-L125 VanDerWaalsContact O-CB 3.32Å; V121-L125 WeakPolarHBondContact O-CB 3.28Å; V121-L125 PolarHBondContact O-N 3.48Å; Q123-L125 PolarHBondContact O-N 3.32Å; L125-E127 PolarHBondContact O-N 3.02Å; L125-K128 PolarHBondContact O-N 2.62Å; L125-L129 HydrophobicContact CD1-CD1 3.93Å; L125-L129 HydrophobicContact CD1-CG 4.33Å; L125-L129 HydrophobicContact CG-CD1 3.81Å; L125-L129 WeakPolarHBondContact O-CB 3.46Å; L125-L129 VanDerWaalsContact O-CG 3.24Å; L125-L129 WeakPolarHBondContact O-CG 3.31Å; L125-L129 PolarHBondContact O-N 2.83Å; L125-L187 HydrophobicContact CD2-CD2 3.56Å; L125-L190 HydrophobicContact CD2-CD1 4.45Å |
| 126 | F | 97.5 | Very high | 95 | Very high | 4 Ų | 4 | 46.4 Ų | 46.4 | 2% | 0.018 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.4 | -40.2 | 178.2 | -175.3 | -94.6 | 0 | 0 | 0 | 112.7 | L122 Q123 S130 L134 A156 V157 L160 L190 | L122-F126 WeakPolarHBondContact O-CB 3.29Å; L122-F126 PolarHBondContact O-N 2.73Å; L122-F126 VanDerWaalsContact O-N 3.08Å; Q123-F126 PolarHBondContact O-N 3.27Å; Q123-F126 VanDerWaalsContact O-N 3.15Å; F126-S130 WeakPolarHBondContact O-CB 3.18Å; F126-S130 PolarHBondContact O-N 3.09Å; F126-S130 PolarHBondContact O-OG 3.37Å; F126-L134 HydrophobicContact CD1-CD1 3.79Å; F126-L134 HydrophobicContact CD1-CD2 4.21Å; F126-L134 HydrophobicContact CD1-CG 4.11Å; F126-L134 HydrophobicContact CE1-CD1 4.39Å; F126-L134 HydrophobicContact CE1-CD2 4.04Å; F126-L134 HydrophobicContact CE1-CG 4.44Å; F126-A156 HydrophobicContact CE1-CB 3.73Å; F126-A156 HydrophobicContact CZ-CB 3.8Å; F126-V157 HydrophobicContact CD2-CG2 3.43Å; F126-V157 VanDerWaalsContact CD2-CG2 3.43Å; F126-V157 HydrophobicContact CE2-CB 4.41Å; F126-V157 HydrophobicContact CE2-CG2 3.75Å; F126-V157 HydrophobicContact CG-CG2 4.13Å; F126-L160 HydrophobicContact CE2-CD2 3.86Å; F126-L190 HydrophobicContact CD2-CD2 4.27Å |
| 127 | E | 96.4 | Very high | 94.4 | Very high | 13 Ų | 13 | 49.4 Ų | 49.4 | 6% | 0.061 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.2 | -41 | 177.3 | -69.7 | -172.3 | 169.2 | 0 | 0 | 112.4 | Q123 K124 L125 G131 R132 K133 L134 | Q123-E127 HydrophobicContact CG-CG 4.21Å; Q123-E127 PolarHBondContact NE2-OE1 3Å; Q123-E127 WeakPolarHBondContact O-CG 3.47Å; Q123-E127 PolarHBondContact O-N 3.07Å; K124-E127 PolarHBondContact O-N 2.88Å; L125-E127 PolarHBondContact O-N 3.02Å; E127-G131 WeakPolarHBondContact O-CA 3.42Å; E127-G131 PolarHBondContact O-N 3.05Å; E127-G131 VanDerWaalsContact O-N 3.1Å; E127-R132 WeakPolarHBondContact CA-O 3.27Å; E127-R132 WeakPolarHBondContact CG-O 3.45Å; E127-K133 HydrophobicContact CB-CD 4.24Å; E127-K133 VanDerWaalsContact CD-CD 3.44Å; E127-K133 HydrophobicContact CG-CD 4.11Å; E127-K133 WeakPolarHBondContact OE2-CD 3.41Å; E127-K133 WeakPolarHBondContact OE2-CE 3.49Å; E127-K133 IonicContact OE2-NZ 3.5Å; E127-K133 PolarHBondContact OE2-NZ 2.79Å; E127-L134 HydrophobicContact CG-CG 4.34Å; E127-L134 PolarHBondContact OE1-N 2.8Å |
| 128 | K | 94.3 | Very high | 93.6 | Very high | 84 Ų | 84 | 54.2 Ų | 54.2 | 37% | 0.365 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.2 | -52.3 | 176.9 | 179.6 | 73.3 | 174.8 | -179.1 | 0 | 111 | E101 L102 E104 K124 L125 | E101-K128 WeakPolarHBondContact O-CE 3.43Å; L102-K128 HydrophobicContact CD2-CB 4.03Å; L102-K128 HydrophobicContact CD2-CG 4.37Å; E104-K128 IonicContact OE2-NZ 3.33Å; E104-K128 PolarHBondContact OE2-NZ 3Å; K124-K128 WeakPolarHBondContact O-CB 3.38Å; K124-K128 PolarHBondContact O-N 3.09Å; L125-K128 PolarHBondContact O-N 2.62Å |
| 129 | L | 92.6 | Very high | 93.1 | Very high | 30 Ų | 30 | 57.8 Ų | 57.8 | 16% | 0.157 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -69 | -40.9 | -177 | -65.7 | 172.5 | 0 | 0 | 0 | 113.1 | W97 L125 Y194 | W97-L129 HydrophobicContact CH2-CD1 3.76Å; W97-L129 HydrophobicContact CZ2-CD1 3.64Å; W97-L129 HydrophobicContact CZ2-CD2 4.05Å; W97-L129 HydrophobicContact CZ2-CG 4.45Å; L125-L129 HydrophobicContact CD1-CD1 3.93Å; L125-L129 HydrophobicContact CD1-CG 4.33Å; L125-L129 HydrophobicContact CG-CD1 3.81Å; L125-L129 WeakPolarHBondContact O-CB 3.46Å; L125-L129 VanDerWaalsContact O-CG 3.24Å; L125-L129 WeakPolarHBondContact O-CG 3.31Å; L125-L129 PolarHBondContact O-N 2.83Å; L129-Y194 HydrophobicContact CB-CD1 3.98Å; L129-Y194 HydrophobicContact CB-CD2 3.7Å; L129-Y194 HydrophobicContact CB-CE1 4.09Å; L129-Y194 HydrophobicContact CB-CE2 3.79Å; L129-Y194 HydrophobicContact CB-CG 3.79Å; L129-Y194 HydrophobicContact CD1-CD2 3.82Å; L129-Y194 HydrophobicContact CD1-CE2 4.39Å; L129-Y194 HydrophobicContact CD1-CG 4.27Å; L129-Y194 HydrophobicContact CD2-CG 4.28Å; L129-Y194 HydrophobicContact CG-CD2 4.26Å; L129-Y194 HydrophobicContact CG-CG 4.34Å; L129-Y194 WeakPolarHBondContact O-CD1 3.32Å; L129-Y194 WeakPolarHBondContact O-CE1 3.24Å |
| 130 | S | 91.9 | Very high | 92.6 | Very high | 24 Ų | 24 | 58.6 Ų | 58.6 | 17% | 0.168 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -84.4 | -18 | -176.5 | 71.7 | 0 | 0 | 0 | 0 | 114.5 | F126 R132 Y194 | F126-S130 WeakPolarHBondContact O-CB 3.18Å; F126-S130 PolarHBondContact O-N 3.09Å; F126-S130 PolarHBondContact O-OG 3.37Å; S130-R132 PolarHBondContact O-N 2.78Å; S130-R132 WeakPolarHBondContact OG-CB 3.35Å; S130-R132 PolarHBondContact OG-N 2.9Å; S130-R132 VanDerWaalsContact OG-N 3.1Å; S130-Y194 WeakPolarHBondContact CA-OH 3.42Å; S130-Y194 WeakPolarHBondContact CB-OH 3.37Å |
| 131 | G | 91.1 | Very high | 92.1 | Very high | 72 Ų | 72 | 65.1 Ų | 65.1 | 74% | 0.742 | 34% | 0.343 | S | S | * | . | trans | 66.4 | 6.8 | -168.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | E127 | E127-G131 WeakPolarHBondContact O-CA 3.42Å; E127-G131 PolarHBondContact O-N 3.05Å; E127-G131 VanDerWaalsContact O-N 3.1Å | ||
| 132 | R | 92.6 | Very high | 92 | Very high | 166 Ų | 166 | 68 Ų | 68 | 63% | 0.626 | 36% | 0.364 | S | S | * | . | P | Polyproline II helix | trans | -103.8 | 133.6 | -178.6 | -57.1 | 179.3 | -177.6 | -170 | 0.9 | 110.1 | E127 S130 | E127-R132 WeakPolarHBondContact CA-O 3.27Å; E127-R132 WeakPolarHBondContact CG-O 3.45Å; S130-R132 PolarHBondContact O-N 2.78Å; S130-R132 WeakPolarHBondContact OG-CB 3.35Å; S130-R132 PolarHBondContact OG-N 2.9Å; S130-R132 VanDerWaalsContact OG-N 3.1Å |
| 133 | K | 93.5 | Very high | 91.8 | Very high | 152 Ų | 152 | 73.2 Ų | 73.2 | 66% | 0.661 | 39% | 0.388 | S | S | * | . | P | Polyproline II helix | trans | -83.1 | 138.7 | 169.9 | -69.1 | -53.4 | -168.2 | -170.8 | 0 | 111.4 | E127 | E127-K133 HydrophobicContact CB-CD 4.24Å; E127-K133 VanDerWaalsContact CD-CD 3.44Å; E127-K133 HydrophobicContact CG-CD 4.11Å; E127-K133 WeakPolarHBondContact OE2-CD 3.41Å; E127-K133 WeakPolarHBondContact OE2-CE 3.49Å; E127-K133 IonicContact OE2-NZ 3.5Å; E127-K133 PolarHBondContact OE2-NZ 2.79Å |
| 134 | L | 94.1 | Very high | 91.6 | Very high | 27 Ų | 27 | 78.3 Ų | 78.3 | 14% | 0.141 | 42% | 0.415 | C | S | . | . | P | Polyproline II helix | trans | -97.4 | 139.1 | 177.7 | -66.3 | 179.7 | 0 | 0 | 0 | 110.4 | Q123 F126 E127 V136 V153 A156 | Q123-L134 HydrophobicContact CG-CB 4.45Å; Q123-L134 HydrophobicContact CG-CD1 4.2Å; F126-L134 HydrophobicContact CD1-CD1 3.79Å; F126-L134 HydrophobicContact CD1-CD2 4.21Å; F126-L134 HydrophobicContact CD1-CG 4.11Å; F126-L134 HydrophobicContact CE1-CD1 4.39Å; F126-L134 HydrophobicContact CE1-CD2 4.04Å; F126-L134 HydrophobicContact CE1-CG 4.44Å; E127-L134 HydrophobicContact CG-CG 4.34Å; E127-L134 PolarHBondContact OE1-N 2.8Å; L134-V136 VanDerWaalsContact C-N 3.3Å; L134-V136 HydrophobicContact CB-CG2 4.37Å; L134-V136 PolarHBondContact O-N 3.34Å; L134-V153 HydrophobicContact CD1-CB 4.36Å; L134-V153 HydrophobicContact CD1-CG2 3.81Å; L134-A156 HydrophobicContact CD2-CB 3.72Å |
| 135 | N | 92.2 | Very high | 91.5 | Very high | 161 Ų | 161 | 76.6 Ų | 76.6 | 86% | 0.861 | 41% | 0.41 | S | S | * | . | trans | -83 | 73.9 | 178.7 | -174.6 | 32.2 | 0 | 0 | 0 | 111.1 | ||||
| 136 | V | 91.2 | Very high | 91.4 | Very high | 28 Ų | 28 | 77.5 Ų | 77.5 | 17% | 0.17 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -132 | 154 | 176.9 | -63.2 | 0 | 0 | 0 | 0 | 110.6 | Q123 L134 K149 T152 | Q123-V136 HydrophobicContact CG-CG2 3.92Å; L134-V136 VanDerWaalsContact C-N 3.3Å; L134-V136 HydrophobicContact CB-CG2 4.37Å; L134-V136 PolarHBondContact O-N 3.34Å; V136-K149 HydrophobicContact CB-CG 4.44Å; V136-K149 HydrophobicContact CG2-CG 4.38Å; V136-T152 HydrophobicContact CG1-CG2 3.67Å |
| 137 | A | 85.6 | Confident | 91.4 | Very high | 63 Ų | 63 | 80 Ų | 80 | 52% | 0.521 | 43% | 0.425 | S | S | . | . | trans | -62.8 | 138.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | V139 T140 K149 | A137-V139 VanDerWaalsContact C-N 3.26Å; A137-V139 PolarHBondContact O-N 2.73Å; A137-T140 HydrophobicContact CB-CG2 4.21Å; A137-K149 WeakPolarHBondContact O-CE 3.18Å; A137-K149 PolarHBondContact O-NZ 3.45Å | ||
| 138 | E | 80.2 | Confident | 91.4 | Very high | 164 Ų | 164 | 85.3 Ų | 85.3 | 77% | 0.766 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -61.4 | -30.5 | -174.1 | -62.6 | -172.6 | 141.6 | 0 | 0 | 114 | Q120 | Q120-E138 PolarHBondContact NE2-O 3.43Å; Q120-E138 PolarHBondContact OE1-O 2.72Å; Q120-E138 VanDerWaalsContact OE1-O 3.13Å |
| 139 | V | 82.4 | Confident | 91.5 | Very high | 109 Ų | 109 | 81.4 Ų | 81.4 | 66% | 0.661 | 43% | 0.433 | S | S | * | . | trans | -140.2 | 136.1 | 179.4 | -178.8 | 0 | 0 | 0 | 0 | 109.4 | A137 Q141 | A137-V139 VanDerWaalsContact C-N 3.26Å; A137-V139 PolarHBondContact O-N 2.73Å; V139-Q141 HydrophobicContact CG1-CG 4.45Å | ||
| 140 | T | 85.4 | Confident | 91.7 | Very high | 17 Ų | 17 | 80 Ų | 80 | 10% | 0.104 | 43% | 0.425 | C | S | . | . | trans | -134.7 | 108 | -177.9 | 45.3 | 0 | 0 | 0 | 0 | 111.4 | A137 Q146 K149 | A137-T140 HydrophobicContact CB-CG2 4.21Å; T140-Q146 WeakPolarHBondContact O-CG 3.37Å; T140-K149 HydrophobicContact CG2-CB 4.48Å; T140-K149 VanDerWaalsContact OG1-CE 3.25Å; T140-K149 WeakPolarHBondContact OG1-CE 3.17Å | ||
| 141 | Q | 85.4 | Confident | 92 | Very high | 183 Ų | 183 | 83.2 Ų | 83.2 | 86% | 0.855 | 44% | 0.438 | S | S | * | . | trans | -100.2 | -12.7 | -179.4 | -68.7 | -167.4 | -14 | 0 | 0 | 115 | V139 | V139-Q141 HydrophobicContact CG1-CG 4.45Š| ||
| 142 | S | 94.6 | Very high | 92.3 | Very high | 71 Ų | 71 | 82.1 Ų | 82.1 | 50% | 0.497 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -93.1 | 143.1 | 173.8 | 59.6 | 0 | 0 | 0 | 0 | 110.7 | I144 G145 Q146 | S142-I144 PolarHBondContact O-N 3.45Å; S142-G145 WeakPolarHBondContact O-CA 3.3Å; S142-G145 PolarHBondContact O-N 3.13Å; S142-G145 PolarHBondContact OG-N 3.44Å; S142-Q146 WeakPolarHBondContact O-CG 3.49Å; S142-Q146 PolarHBondContact O-N 3.43Å |
| 143 | E | 93.8 | Very high | 92.6 | Very high | 113 Ų | 113 | 74.3 Ų | 74.3 | 53% | 0.528 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -49.3 | -46 | 174.8 | 174.5 | -178.4 | 176.1 | 0 | 0 | 111.7 | G145 Q146 K147 | E143-G145 VanDerWaalsContact C-N 3.3Å; E143-G145 PolarHBondContact O-N 3.08Å; E143-Q146 PolarHBondContact O-N 2.99Å; E143-K147 HydrophobicContact CG-CD 4.31Å; E143-K147 HydrophobicContact CG-CG 4.46Å; E143-K147 PolarHBondContact O-N 3.42Å; E143-K147 VanDerWaalsContact OE1-CE 3.29Å; E143-K147 WeakPolarHBondContact OE1-CE 3.45Å; E143-K147 IonicContact OE1-NZ 2.69Å; E143-K147 PolarHBondContact OE1-NZ 3.22Å |
| 144 | I | 93.9 | Very high | 92.8 | Very high | 118 Ų | 118 | 67.3 Ų | 67.3 | 61% | 0.605 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -59.6 | -41.6 | 179.1 | -60.3 | 172.2 | 0 | 0 | 0 | 110.8 | S142 Q148 | S142-I144 PolarHBondContact O-N 3.45Å; I144-Q148 WeakPolarHBondContact O-CB 3.49Å; I144-Q148 WeakPolarHBondContact O-CG 3.3Å; I144-Q148 PolarHBondContact O-N 3.17Å |
| 145 | G | 94.9 | Very high | 92.9 | Very high | 10 Ų | 10 | 70.4 Ų | 70.4 | 10% | 0.103 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -68.4 | -39 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | S142 E143 Q148 K149 | S142-G145 WeakPolarHBondContact O-CA 3.3Å; S142-G145 PolarHBondContact O-N 3.13Å; S142-G145 PolarHBondContact OG-N 3.44Å; E143-G145 VanDerWaalsContact C-N 3.3Å; E143-G145 PolarHBondContact O-N 3.08Å; G145-Q148 PolarHBondContact O-N 2.97Å; G145-K149 WeakPolarHBondContact O-CB 3.42Å; G145-K149 PolarHBondContact O-N 2.84Å |
| 146 | Q | 96.1 | Very high | 93.2 | Very high | 19 Ų | 19 | 63.6 Ų | 63.6 | 9% | 0.089 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.7 | -47.7 | 175 | -65.5 | 176.1 | -26.8 | 0 | 0 | 111.1 | D118 T140 S142 E143 Q148 K149 L150 H176 | D118-Q146 HydrophobicContact CB-CB 4.5Å; D118-Q146 HydrophobicContact CB-CG 3.95Å; T140-Q146 WeakPolarHBondContact O-CG 3.37Å; S142-Q146 WeakPolarHBondContact O-CG 3.49Å; S142-Q146 PolarHBondContact O-N 3.43Å; E143-Q146 PolarHBondContact O-N 2.99Å; Q146-Q148 VanDerWaalsContact C-N 3.33Å; Q146-Q148 PolarHBondContact O-N 3.5Å; Q146-K149 PolarHBondContact O-N 3.27Å; Q146-L150 WeakPolarHBondContact O-CB 3.32Å; Q146-L150 WeakPolarHBondContact O-CG 3.45Å; Q146-L150 PolarHBondContact O-N 2.89Å; Q146-H176 PolarHBondContact OE1-NE2 2.75Å |
| 147 | K | 96.7 | Very high | 93.4 | Very high | 55 Ų | 55 | 62.4 Ų | 62.4 | 24% | 0.239 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64 | -35.8 | 176 | -69.5 | -167.2 | 180 | -170.1 | 0 | 112.5 | E143 Q151 V172 D173 H176 | E143-K147 HydrophobicContact CG-CD 4.31Å; E143-K147 HydrophobicContact CG-CG 4.46Å; E143-K147 PolarHBondContact O-N 3.42Å; E143-K147 VanDerWaalsContact OE1-CE 3.29Å; E143-K147 WeakPolarHBondContact OE1-CE 3.45Å; E143-K147 IonicContact OE1-NZ 2.69Å; E143-K147 PolarHBondContact OE1-NZ 3.22Å; K147-Q151 WeakPolarHBondContact O-CB 3.43Å; K147-Q151 PolarHBondContact O-N 2.75Å; K147-V172 HydrophobicContact CB-CG1 3.71Å; K147-V172 HydrophobicContact CD-CG1 4.33Å; K147-V172 HydrophobicContact CG-CG1 3.84Å; K147-D173 IonicContact NZ-OD1 2.72Å; K147-D173 PolarHBondContact NZ-OD1 2.86Å; K147-H176 WeakPolarHBondContact CE-ND1 3.48Å; K147-H176 HydrophobicContact CG-CB 4.34Å |
| 148 | Q | 96.3 | Very high | 93.9 | Very high | 125 Ų | 125 | 60.5 Ų | 60.5 | 58% | 0.584 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -66.4 | -44 | 172.4 | -76.9 | 171.6 | -8.4 | 0 | 0 | 112.7 | I144 G145 Q146 Q151 T152 | I144-Q148 WeakPolarHBondContact O-CB 3.49Å; I144-Q148 WeakPolarHBondContact O-CG 3.3Å; I144-Q148 PolarHBondContact O-N 3.17Å; G145-Q148 PolarHBondContact O-N 2.97Å; Q146-Q148 VanDerWaalsContact C-N 3.33Å; Q146-Q148 PolarHBondContact O-N 3.5Å; Q148-Q151 WeakPolarHBondContact O-CB 3.33Å; Q148-Q151 PolarHBondContact O-N 3.48Å; Q148-T152 PolarHBondContact O-N 3.42Å |
| 149 | K | 96.9 | Very high | 94.5 | Very high | 3 Ų | 3 | 59.9 Ų | 59.9 | 1% | 0.013 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.6 | -49.9 | 173.5 | 176.3 | -177.7 | -72.5 | -96.4 | 0 | 110.8 | D118 V136 A137 T140 G145 Q146 Q151 T152 V153 | D118-K149 WeakPolarHBondContact O-CD 3.31Å; V136-K149 HydrophobicContact CB-CG 4.44Å; V136-K149 HydrophobicContact CG2-CG 4.38Å; A137-K149 WeakPolarHBondContact O-CE 3.18Å; A137-K149 PolarHBondContact O-NZ 3.45Å; T140-K149 HydrophobicContact CG2-CB 4.48Å; T140-K149 VanDerWaalsContact OG1-CE 3.25Å; T140-K149 WeakPolarHBondContact OG1-CE 3.17Å; G145-K149 WeakPolarHBondContact O-CB 3.42Å; G145-K149 PolarHBondContact O-N 2.84Å; Q146-K149 PolarHBondContact O-N 3.27Å; K149-Q151 VanDerWaalsContact C-N 3.32Å; K149-Q151 PolarHBondContact O-N 2.97Å; K149-T152 PolarHBondContact O-N 3.35Å; K149-V153 HydrophobicContact CG-CG2 4.37Å; K149-V153 VanDerWaalsContact O-CG2 3.27Å; K149-V153 WeakPolarHBondContact O-CG2 3.49Å; K149-V153 PolarHBondContact O-N 3.43Å |
| 150 | L | 97.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58 | -41.1 | 175.5 | -78.8 | 174.8 | 0 | 0 | 0 | 112.5 | Y117 G119 L122 Q146 V153 L154 V172 I175 H176 | Y117-L150 WeakPolarHBondContact O-CD1 3.28Å; G119-L150 VanDerWaalsContact CA-CD2 3.47Å; L122-L150 HydrophobicContact CD1-CD2 4.11Å; Q146-L150 WeakPolarHBondContact O-CB 3.32Å; Q146-L150 WeakPolarHBondContact O-CG 3.45Å; Q146-L150 PolarHBondContact O-N 2.89Å; L150-V153 PolarHBondContact O-N 3.06Å; L150-L154 VanDerWaalsContact O-CB 3.25Å; L150-L154 WeakPolarHBondContact O-CB 3.45Å; L150-L154 WeakPolarHBondContact O-CG 3.38Å; L150-L154 PolarHBondContact O-N 3.2Å; L150-V172 HydrophobicContact CB-CB 4.4Å; L150-V172 HydrophobicContact CB-CG1 3.95Å; L150-V172 HydrophobicContact CB-CG2 4.05Å; L150-V172 HydrophobicContact CD1-CG1 4.21Å; L150-I175 HydrophobicContact CD1-CB 4.31Å; L150-I175 HydrophobicContact CD1-CG2 4.17Å; L150-I175 HydrophobicContact CD2-CB 4.19Å; L150-I175 HydrophobicContact CD2-CG2 3.56Å; L150-H176 HydrophobicContact CD1-CB 3.74Å |
| 151 | Q | 97.8 | Very high | 95.1 | Very high | 91 Ų | 91 | 55.4 Ų | 55.4 | 43% | 0.425 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -56.9 | -54 | 177.6 | -175.2 | 67.2 | 27.4 | 0 | 0 | 110.5 | K147 Q148 K149 V153 L154 E155 V172 | K147-Q151 WeakPolarHBondContact O-CB 3.43Å; K147-Q151 PolarHBondContact O-N 2.75Å; Q148-Q151 WeakPolarHBondContact O-CB 3.33Å; Q148-Q151 PolarHBondContact O-N 3.48Å; K149-Q151 VanDerWaalsContact C-N 3.32Å; K149-Q151 PolarHBondContact O-N 2.97Å; Q151-V153 PolarHBondContact O-N 3.31Å; Q151-L154 PolarHBondContact O-N 3.16Å; Q151-E155 PolarHBondContact NE2-OE1 2.81Å; Q151-E155 VanDerWaalsContact O-CB 3.3Å; Q151-E155 WeakPolarHBondContact O-CB 3.13Å; Q151-E155 WeakPolarHBondContact O-CG 3.46Å; Q151-E155 PolarHBondContact O-N 3.05Å; Q151-V172 HydrophobicContact CB-CG2 4.03Å; Q151-V172 VanDerWaalsContact OE1-CG2 3.23Å |
| 152 | T | 97.6 | Very high | 95.2 | Very high | 50 Ų | 50 | 54.2 Ų | 54.2 | 31% | 0.307 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.5 | -37.5 | -179.4 | -55.8 | 0 | 0 | 0 | 0 | 113.2 | V136 Q148 K149 A156 | V136-T152 HydrophobicContact CG1-CG2 3.67Å; Q148-T152 PolarHBondContact O-N 3.42Å; K149-T152 PolarHBondContact O-N 3.35Å; T152-A156 PolarHBondContact O-N 2.83Å |
| 153 | V | 97.9 | Very high | 94.6 | Very high | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.006 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.8 | -49.5 | 175.8 | 172.9 | 0 | 0 | 0 | 0 | 110.8 | L122 Q123 L134 K149 L150 Q151 A156 V157 | L122-V153 HydrophobicContact CB-CG1 4.02Å; Q123-V153 HydrophobicContact CB-CG2 3.72Å; Q123-V153 HydrophobicContact CG-CG2 4.27Å; L134-V153 HydrophobicContact CD1-CB 4.36Å; L134-V153 HydrophobicContact CD1-CG2 3.81Å; K149-V153 HydrophobicContact CG-CG2 4.37Å; K149-V153 VanDerWaalsContact O-CG2 3.27Å; K149-V153 WeakPolarHBondContact O-CG2 3.49Å; K149-V153 PolarHBondContact O-N 3.43Å; L150-V153 PolarHBondContact O-N 3.06Å; Q151-V153 PolarHBondContact O-N 3.31Å; V153-A156 PolarHBondContact O-N 2.89Å; V153-V157 VanDerWaalsContact O-CG2 3.3Å; V153-V157 WeakPolarHBondContact O-CG2 3.43Å; V153-V157 PolarHBondContact O-N 3.21Å |
| 154 | L | 97.9 | Very high | 93.6 | Very high | 5 Ų | 5 | 53.7 Ų | 53.7 | 3% | 0.026 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -72.2 | -28.7 | -177.8 | -62.9 | 179.7 | 0 | 0 | 0 | 112.2 | L150 Q151 N158 V172 I175 L186 | L150-L154 VanDerWaalsContact O-CB 3.25Å; L150-L154 WeakPolarHBondContact O-CB 3.45Å; L150-L154 WeakPolarHBondContact O-CG 3.38Å; L150-L154 PolarHBondContact O-N 3.2Å; Q151-L154 PolarHBondContact O-N 3.16Å; L154-N158 WeakPolarHBondContact O-CB 3.36Å; L154-N158 PolarHBondContact O-N 2.96Å; L154-N158 PolarHBondContact O-ND2 3.34Å; L154-N158 PolarHBondContact O-OD1 3.33Å; L154-V172 HydrophobicContact CD1-CG2 4.11Å; L154-I175 HydrophobicContact CD1-CG1 4.08Å; L154-L186 HydrophobicContact CD2-CD1 4.07Å; L154-L186 HydrophobicContact CD2-CD2 3.68Å |
| 155 | E | 97.1 | Very high | 92.8 | Very high | 92 Ų | 92 | 50.6 Ų | 50.6 | 43% | 0.43 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59.8 | -54.2 | 168.2 | -79.6 | 169.1 | 164.6 | 0 | 0 | 110.9 | Q151 V157 N158 E159 | Q151-E155 PolarHBondContact NE2-OE1 2.81Å; Q151-E155 VanDerWaalsContact O-CB 3.3Å; Q151-E155 WeakPolarHBondContact O-CB 3.13Å; Q151-E155 WeakPolarHBondContact O-CG 3.46Å; Q151-E155 PolarHBondContact O-N 3.05Å; E155-V157 VanDerWaalsContact C-N 3.32Å; E155-V157 PolarHBondContact O-N 3.03Å; E155-N158 PolarHBondContact O-N 2.77Å; E155-N158 VanDerWaalsContact O-N 3.09Å; E155-E159 WeakPolarHBondContact O-CG 3.42Å; E155-E159 PolarHBondContact O-N 2.97Å |
| 156 | A | 96.9 | Very high | 92.2 | Very high | 19 Ų | 19 | 51.5 Ų | 51.5 | 16% | 0.157 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.3 | -38.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113 | F126 L134 T152 V153 L160 | F126-A156 HydrophobicContact CE1-CB 3.73Å; F126-A156 HydrophobicContact CZ-CB 3.8Å; L134-A156 HydrophobicContact CD2-CB 3.72Å; T152-A156 PolarHBondContact O-N 2.83Å; V153-A156 PolarHBondContact O-N 2.89Å; A156-L160 PolarHBondContact O-N 3.33Å |
| 157 | V | 96.6 | Very high | 91.6 | Very high | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.012 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.9 | -42.1 | 172.8 | 174.6 | 0 | 0 | 0 | 0 | 111.6 | F126 V153 E155 L160 L161 W170 L186 L190 | F126-V157 HydrophobicContact CD2-CG2 3.43Å; F126-V157 VanDerWaalsContact CD2-CG2 3.43Å; F126-V157 HydrophobicContact CE2-CB 4.41Å; F126-V157 HydrophobicContact CE2-CG2 3.75Å; F126-V157 HydrophobicContact CG-CG2 4.13Å; V153-V157 VanDerWaalsContact O-CG2 3.3Å; V153-V157 WeakPolarHBondContact O-CG2 3.43Å; V153-V157 PolarHBondContact O-N 3.21Å; E155-V157 VanDerWaalsContact C-N 3.32Å; E155-V157 PolarHBondContact O-N 3.03Å; V157-L160 WeakPolarHBondContact O-CB 3.28Å; V157-L160 PolarHBondContact O-N 3.33Å; V157-L161 HydrophobicContact CG1-CD1 3.5Å; V157-L161 HydrophobicContact CG1-CG 4.05Å; V157-L161 WeakPolarHBondContact O-CB 3.42Å; V157-L161 WeakPolarHBondContact O-CG 3.42Å; V157-L161 PolarHBondContact O-N 2.85Å; V157-W170 HydrophobicContact CG1-CZ2 4.36Å; V157-L186 HydrophobicContact CB-CD1 4.48Å; V157-L186 HydrophobicContact CG1-CD1 3.67Å; V157-L190 HydrophobicContact CG1-CD2 4.02Å; V157-L190 HydrophobicContact CG1-CG 4.4Å; V157-L190 HydrophobicContact CG2-CD1 4.48Å; V157-L190 HydrophobicContact CG2-CD2 4.27Å |
| 158 | N | 95.6 | Very high | 91.3 | Very high | 24 Ų | 24 | 53.2 Ų | 53.2 | 13% | 0.128 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -68.2 | -37 | -179.8 | -72.6 | -21.3 | 0 | 0 | 0 | 112 | L154 E155 L160 L161 R162 I168 W170 | L154-N158 WeakPolarHBondContact O-CB 3.36Å; L154-N158 PolarHBondContact O-N 2.96Å; L154-N158 PolarHBondContact O-ND2 3.34Å; L154-N158 PolarHBondContact O-OD1 3.33Å; E155-N158 PolarHBondContact O-N 2.77Å; E155-N158 VanDerWaalsContact O-N 3.09Å; N158-L160 VanDerWaalsContact C-N 3.31Å; N158-L161 PolarHBondContact O-N 2.68Å; N158-R162 VanDerWaalsContact O-CB 3.22Å; N158-R162 WeakPolarHBondContact O-CB 3.43Å; N158-R162 WeakPolarHBondContact O-CD 3.43Å; N158-R162 WeakPolarHBondContact O-CG 3.41Å; N158-R162 PolarHBondContact O-N 3.37Å; N158-I168 WeakPolarHBondContact OD1-CG2 3.1Å; N158-W170 PolarHBondContact OD1-NE1 2.99Å |
| 159 | E | 93.3 | Very high | 91.1 | Very high | 150 Ų | 150 | 50.2 Ų | 50.2 | 70% | 0.701 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -62.9 | -36.9 | 172.1 | -73.4 | -171.1 | 160.1 | 0 | 0 | 112.3 | E155 P163 | E155-E159 WeakPolarHBondContact O-CG 3.42Å; E155-E159 PolarHBondContact O-N 2.97Å; E159-P163 WeakPolarHBondContact O-CD 3.25Å; E159-P163 VanDerWaalsContact O-CG 3.31Å; E159-P163 WeakPolarHBondContact O-CG 3.17Å |
| 160 | L | 90.9 | Very high | 91 | Very high | 32 Ų | 32 | 50.8 Ų | 50.8 | 17% | 0.168 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -70.4 | -46 | 175.6 | -176.5 | 73.9 | 0 | 0 | 0 | 112.4 | F126 A156 V157 N158 H164 H193 Y194 | F126-L160 HydrophobicContact CE2-CD2 3.86Å; A156-L160 PolarHBondContact O-N 3.33Å; V157-L160 WeakPolarHBondContact O-CB 3.28Å; V157-L160 PolarHBondContact O-N 3.33Å; N158-L160 VanDerWaalsContact C-N 3.31Å; L160-H164 PolarHBondContact O-CE1 3.23Å; L160-H164 PolarHBondContact O-ND1 2.89Å; L160-H193 WeakPolarHBondContact CD1-NE2 3.1Å; L160-Y194 HydrophobicContact CD2-CE2 3.57Å; L160-Y194 WeakPolarHBondContact CD2-OH 3.08Å |
| 161 | L | 89.6 | Confident | 90.9 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -87.8 | -34.5 | -168.2 | -65.4 | -177.2 | 0 | 0 | 0 | 114.1 | V157 N158 H164 W166 W170 A189 H193 | V157-L161 HydrophobicContact CG1-CD1 3.5Å; V157-L161 HydrophobicContact CG1-CG 4.05Å; V157-L161 WeakPolarHBondContact O-CB 3.42Å; V157-L161 WeakPolarHBondContact O-CG 3.42Å; V157-L161 PolarHBondContact O-N 2.85Å; N158-L161 PolarHBondContact O-N 2.68Å; L161-H164 CarbonylContact O-C 3.59Å; L161-H164 PolarHBondContact O-N 3.43Å; L161-W166 HydrophobicContact CB-CB 4Å; L161-W166 HydrophobicContact CB-CG 4.17Å; L161-W166 HydrophobicContact CD2-CG 4.39Å; L161-W170 HydrophobicContact CD1-CH2 3.84Å; L161-W170 HydrophobicContact CD1-CZ2 3.79Å; L161-A189 HydrophobicContact CD1-CB 3.79Å; L161-H193 HydrophobicContact CD2-CB 3.53Å |
| 162 | R | 86.9 | Confident | 90.9 | Very high | 159 Ų | 159 | 49.9 Ų | 49.9 | 60% | 0.6 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -59.5 | -41.7 | -178.3 | -73.3 | 173.5 | 177.7 | -173.2 | 0.1 | 114.3 | N158 H164 G165 I168 | N158-R162 VanDerWaalsContact O-CB 3.22Å; N158-R162 WeakPolarHBondContact O-CB 3.43Å; N158-R162 WeakPolarHBondContact O-CD 3.43Å; N158-R162 WeakPolarHBondContact O-CG 3.41Å; N158-R162 PolarHBondContact O-N 3.37Å; R162-H164 PolarHBondContact O-N 3.45Å; R162-H164 VanDerWaalsContact O-N 3.13Å; R162-G165 PolarHBondContact O-N 2.9Å; R162-I168 HydrophobicContact CG-CD1 3.96Å; R162-I168 HydrophobicContact CG-CG1 3.94Å |
| 163 | P | 81.6 | Confident | 90.7 | Very high | 102 Ų | 102 | 52.1 Ų | 52.1 | 66% | 0.662 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -60 | -21.9 | 175.4 | -24.9 | 35.7 | 0 | 0 | 0 | 113.9 | E159 | E159-P163 WeakPolarHBondContact O-CD 3.25Å; E159-P163 VanDerWaalsContact O-CG 3.31Å; E159-P163 WeakPolarHBondContact O-CG 3.17Å |
| 164 | H | 73.3 | Confident | 90.5 | Very high | 71 Ų | 71 | 53.2 Ų | 53.2 | 33% | 0.329 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -100.7 | 20.6 | -177.8 | -56.6 | 95.2 | 0 | 0 | 0 | 112.9 | L160 L161 R162 W166 H193 | L160-H164 PolarHBondContact O-CE1 3.23Å; L160-H164 PolarHBondContact O-ND1 2.89Å; L161-H164 CarbonylContact O-C 3.59Å; L161-H164 PolarHBondContact O-N 3.43Å; R162-H164 PolarHBondContact O-N 3.45Å; R162-H164 VanDerWaalsContact O-N 3.13Å; H164-W166 VanDerWaalsContact C-N 3.34Å; H164-W166 PolarHBondContact O-N 2.68Å; H164-H193 AromaticContact CE1-CE1 3.7Å; H164-H193 AromaticContact ND1-CE1 3.57Å |
| 165 | G | 76.9 | Confident | 90.5 | Very high | 52 Ų | 52 | 53 Ų | 53 | 54% | 0.536 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.9 | 22.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | R162 R237 | R162-G165 PolarHBondContact O-N 2.9Å; G165-R237 PolarHBondContact O-NH1 3.17Å |
| 166 | W | 83.1 | Confident | 90.4 | Very high | 29 Ų | 29 | 50 Ų | 50 | 11% | 0.11 | 27% | 0.274 | C | S | . | . | trans | -78.1 | 136.3 | 173.8 | -71.7 | 90.6 | 0 | 0 | 0 | 111.7 | L161 H164 A189 M192 F238 | L161-W166 HydrophobicContact CB-CB 4Å; L161-W166 HydrophobicContact CB-CG 4.17Å; L161-W166 HydrophobicContact CD2-CG 4.39Å; H164-W166 VanDerWaalsContact C-N 3.34Å; H164-W166 PolarHBondContact O-N 2.68Å; W166-A189 HydrophobicContact CD2-CB 4.01Å; W166-A189 HydrophobicContact CE3-CB 3.57Å; W166-A189 HydrophobicContact CZ3-CB 3.87Å; W166-M192 HydrophobicContact CH2-CB 3.57Å; W166-M192 HydrophobicContact CH2-CG 4.1Å; W166-M192 HydrophobicContact CZ2-CB 3.72Å; W166-F238 HydrophobicContact CZ2-CZ 4.04Å | ||
| 167 | S | 83.2 | Confident | 90.2 | Very high | 64 Ų | 64 | 52 Ų | 52 | 45% | 0.448 | 29% | 0.29 | S | S | . | . | trans | -73.1 | 142.2 | 165 | -163.2 | 0 | 0 | 0 | 0 | 109 | E169 | S167-E169 WeakPolarHBondContact CB-OE1 3.34Å; S167-E169 PolarHBondContact OG-OE1 2.72Å | ||
| 168 | I | 90.5 | Very high | 90.2 | Very high | 46 Ų | 46 | 55 Ų | 55 | 24% | 0.236 | 30% | 0.303 | C | S | . | . | trans | -102.9 | 88.5 | -178.4 | -53.1 | -54.4 | 0 | 0 | 0 | 107.8 | N158 R162 W170 | N158-I168 WeakPolarHBondContact OD1-CG2 3.1Å; R162-I168 HydrophobicContact CG-CD1 3.96Å; R162-I168 HydrophobicContact CG-CG1 3.94Å; I168-W170 HydrophobicContact CD1-CH2 3.99Å; I168-W170 HydrophobicContact CD1-CZ2 3.55Å; I168-W170 HydrophobicContact CG2-CD2 4.25Å; I168-W170 HydrophobicContact CG2-CG 4.39Å; I168-W170 HydrophobicContact CG2-CZ2 4.24Å; I168-W170 PolarHBondContact O-N 3.44Å | ||
| 169 | E | 92.3 | Very high | 90.1 | Very high | 63 Ų | 63 | 55.5 Ų | 55.5 | 29% | 0.294 | 31% | 0.306 | S | S | . | . | trans | -88.2 | 14.4 | -176.5 | -59 | -63.8 | 134.6 | 0 | 0 | 112.9 | S167 Y185 K225 | S167-E169 WeakPolarHBondContact CB-OE1 3.34Å; S167-E169 PolarHBondContact OG-OE1 2.72Å; E169-Y185 HydrophobicContact CB-CD1 4.25Å; E169-Y185 HydrophobicContact CB-CD2 3.5Å; E169-Y185 HydrophobicContact CB-CE2 4.05Å; E169-Y185 HydrophobicContact CB-CG 3.62Å; E169-Y185 HydrophobicContact CG-CD1 4.02Å; E169-Y185 HydrophobicContact CG-CD2 3.93Å; E169-Y185 HydrophobicContact CG-CE1 4.15Å; E169-Y185 HydrophobicContact CG-CE2 4.06Å; E169-Y185 HydrophobicContact CG-CG 3.91Å; E169-K225 IonicContact OE2-NZ 2.71Å; E169-K225 PolarHBondContact OE2-NZ 3.41Å | ||
| 170 | W | 95.2 | Very high | 90.2 | Very high | 14 Ų | 14 | 48.6 Ų | 48.6 | 5% | 0.053 | 27% | 0.274 | C | S | . | . | trans | -135.6 | 157.6 | -173.5 | 57.1 | 80.5 | 0 | 0 | 0 | 112.7 | V157 N158 L161 I168 I175 A182 L186 A189 | V157-W170 HydrophobicContact CG1-CZ2 4.36Å; N158-W170 PolarHBondContact OD1-NE1 2.99Å; L161-W170 HydrophobicContact CD1-CH2 3.84Å; L161-W170 HydrophobicContact CD1-CZ2 3.79Å; I168-W170 HydrophobicContact CD1-CH2 3.99Å; I168-W170 HydrophobicContact CD1-CZ2 3.55Å; I168-W170 HydrophobicContact CG2-CD2 4.25Å; I168-W170 HydrophobicContact CG2-CG 4.39Å; I168-W170 HydrophobicContact CG2-CZ2 4.24Å; I168-W170 PolarHBondContact O-N 3.44Å; W170-I175 HydrophobicContact CB-CD1 4.1Å; W170-I175 HydrophobicContact CB-CG1 4.34Å; W170-A182 HydrophobicContact CB-CB 4.1Å; W170-L186 HydrophobicContact CD2-CB 3.93Å; W170-L186 HydrophobicContact CD2-CD1 4.03Å; W170-L186 HydrophobicContact CE3-CB 3.93Å; W170-L186 HydrophobicContact CG-CB 4.23Å; W170-L186 HydrophobicContact CG-CD1 4.36Å; W170-L186 HydrophobicContact CZ2-CD1 4.1Å; W170-L186 HydrophobicContact CZ3-CB 4.5Å; W170-A189 HydrophobicContact CH2-CB 3.8Å; W170-A189 HydrophobicContact CZ3-CB 4.11Å | ||
| 171 | S | 95.8 | Very high | 90.3 | Very high | 57 Ų | 57 | 47.4 Ų | 47.4 | 40% | 0.399 | 27% | 0.268 | S | S | . | . | trans | -152.6 | 164.6 | 179.1 | 65.2 | 0 | 0 | 0 | 0 | 110 | D173 S174 I175 | S171-D173 VanDerWaalsContact C-N 3.34Å; S171-D173 PolarHBondContact O-N 3.24Å; S171-S174 PolarHBondContact N-OG 2.98Å; S171-S174 PolarHBondContact O-N 3.03Å; S171-S174 PolarHBondContact O-OG 2.98Å; S171-S174 VanDerWaalsContact O-OG 3.05Å; S171-S174 WeakPolarHBondContact OG-CB 3.47Å; S171-S174 PolarHBondContact OG-N 2.93Å; S171-S174 PolarHBondContact OG-OG 2.99Å; S171-I175 WeakPolarHBondContact O-CG1 3.44Å; S171-I175 PolarHBondContact O-N 3.42Å | ||
| 172 | V | 96.8 | Very high | 90.6 | Very high | 15 Ų | 15 | 47.6 Ų | 47.6 | 9% | 0.091 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -53.4 | -51.1 | 176 | 172.6 | 0 | 0 | 0 | 0 | 111.3 | K147 L150 Q151 L154 S174 I175 H176 | K147-V172 HydrophobicContact CB-CG1 3.71Å; K147-V172 HydrophobicContact CD-CG1 4.33Å; K147-V172 HydrophobicContact CG-CG1 3.84Å; L150-V172 HydrophobicContact CB-CB 4.4Å; L150-V172 HydrophobicContact CB-CG1 3.95Å; L150-V172 HydrophobicContact CB-CG2 4.05Å; L150-V172 HydrophobicContact CD1-CG1 4.21Å; Q151-V172 HydrophobicContact CB-CG2 4.03Å; Q151-V172 VanDerWaalsContact OE1-CG2 3.23Å; L154-V172 HydrophobicContact CD1-CG2 4.11Å; V172-S174 VanDerWaalsContact C-N 3.35Å; V172-S174 PolarHBondContact O-N 3.38Å; V172-I175 PolarHBondContact O-N 2.96Å; V172-H176 WeakPolarHBondContact O-CB 3.49Å; V172-H176 PolarHBondContact O-N 3.07Å |
| 173 | D | 93.7 | Very high | 91.1 | Very high | 97 Ų | 97 | 40 Ų | 40 | 52% | 0.519 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -68.8 | -29.3 | -177.9 | -61.9 | -72.9 | 0 | 0 | 0 | 113.7 | K147 S171 A177 | K147-D173 IonicContact NZ-OD1 2.72Å; K147-D173 PolarHBondContact NZ-OD1 2.86Å; S171-D173 VanDerWaalsContact C-N 3.34Å; S171-D173 PolarHBondContact O-N 3.24Å; D173-A177 WeakPolarHBondContact O-CB 3.49Å; D173-A177 PolarHBondContact O-N 2.68Å |
| 174 | S | 94.1 | Very high | 91.9 | Very high | 24 Ų | 24 | 35.1 Ų | 35.1 | 17% | 0.168 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -76 | -40.3 | 176 | 55.3 | 0 | 0 | 0 | 0 | 112.5 | S171 V172 N179 | S171-S174 PolarHBondContact N-OG 2.98Å; S171-S174 PolarHBondContact O-N 3.03Å; S171-S174 PolarHBondContact O-OG 2.98Å; S171-S174 VanDerWaalsContact O-OG 3.05Å; S171-S174 WeakPolarHBondContact OG-CB 3.47Å; S171-S174 PolarHBondContact OG-N 2.93Å; S171-S174 PolarHBondContact OG-OG 2.99Å; V172-S174 VanDerWaalsContact C-N 3.35Å; V172-S174 PolarHBondContact O-N 3.38Å; S174-N179 WeakPolarHBondContact O-CB 3.34Å; S174-N179 PolarHBondContact O-N 2.85Å |
| 175 | I | 96.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.1 | -44.8 | 173.4 | -59.7 | -62.7 | 0 | 0 | 0 | 110.4 | Y117 L122 L150 L154 W170 S171 V172 K178 A182 I183 L186 | Y117-I175 WeakPolarHBondContact CA-O 3.38Å; Y117-I175 WeakPolarHBondContact CB-O 3.42Å; L122-I175 HydrophobicContact CD1-CG2 3.74Å; L150-I175 HydrophobicContact CD1-CB 4.31Å; L150-I175 HydrophobicContact CD1-CG2 4.17Å; L150-I175 HydrophobicContact CD2-CB 4.19Å; L150-I175 HydrophobicContact CD2-CG2 3.56Å; L154-I175 HydrophobicContact CD1-CG1 4.08Å; W170-I175 HydrophobicContact CB-CD1 4.1Å; W170-I175 HydrophobicContact CB-CG1 4.34Å; S171-I175 WeakPolarHBondContact O-CG1 3.44Å; S171-I175 PolarHBondContact O-N 3.42Å; V172-I175 PolarHBondContact O-N 2.96Å; I175-K178 PolarHBondContact O-N 3.1Å; I175-K178 VanDerWaalsContact O-N 3.08Å; I175-A182 HydrophobicContact CD1-CB 4.06Å; I175-I183 HydrophobicContact CD1-CB 4.24Å; I175-I183 HydrophobicContact CD1-CG1 3.55Å; I175-I183 HydrophobicContact CG2-CG1 4.34Å; I175-L186 HydrophobicContact CD1-CD2 4.04Å |
| 176 | H | 96 | Very high | 93.9 | Very high | 30 Ų | 30 | 31 Ų | 31 | 14% | 0.139 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.4 | -38.8 | 179.9 | -169 | -102.6 | 0 | 0 | 0 | 112.9 | Y117 Q146 K147 L150 V172 K178 | Y117-H176 WeakPolarHBondContact O-CA 3.18Å; Y117-H176 PolarHBondContact O-CD2 2.63Å; Q146-H176 PolarHBondContact OE1-NE2 2.75Å; K147-H176 WeakPolarHBondContact CE-ND1 3.48Å; K147-H176 HydrophobicContact CG-CB 4.34Å; L150-H176 HydrophobicContact CD1-CB 3.74Å; V172-H176 WeakPolarHBondContact O-CB 3.49Å; V172-H176 PolarHBondContact O-N 3.07Å; H176-K178 PolarHBondContact O-N 3.49Å |
| 177 | A | 93.2 | Very high | 94.6 | Very high | 61 Ų | 61 | 29.7 Ų | 29.7 | 50% | 0.504 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | 22.6 | 171 | 0 | 0 | 0 | 0 | 0 | 113.7 | D173 N179 | D173-A177 WeakPolarHBondContact O-CB 3.49Å; D173-A177 PolarHBondContact O-N 2.68Å; A177-N179 VanDerWaalsContact C-N 3.27Å; A177-N179 PolarHBondContact O-N 3.27Å |
| 178 | K | 94.9 | Very high | 95.2 | Very high | 64 Ų | 64 | 26.8 Ų | 26.8 | 28% | 0.278 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 35.4 | 173.7 | -58.2 | -172.2 | 163.5 | 178 | 0 | 114.2 | E113 E114 Y117 I175 H176 L180 | E113-K178 HydrophobicContact CB-CB 4.24Å; E113-K178 WeakPolarHBondContact O-CD 3.49Å; E113-K178 VanDerWaalsContact O-CE 3.3Å; E113-K178 WeakPolarHBondContact O-CE 3.37Å; E113-K178 VanDerWaalsContact O-CG 3.3Å; E113-K178 WeakPolarHBondContact O-CG 3.35Å; E114-K178 IonicContact OE1-NZ 3.49Å; E114-K178 PolarHBondContact OE1-NZ 3.48Å; E114-K178 IonicContact OE2-NZ 3.68Å; E114-K178 PolarHBondContact OE2-NZ 3.03Å; Y117-K178 HydrophobicContact CD2-CG 4.49Å; Y117-K178 HydrophobicContact CG-CG 4.06Å; I175-K178 PolarHBondContact O-N 3.1Å; I175-K178 VanDerWaalsContact O-N 3.08Å; H176-K178 PolarHBondContact O-N 3.49Å; K178-L180 PolarHBondContact O-N 2.91Å |
| 179 | N | 93.6 | Very high | 95.3 | Very high | 36 Ų | 36 | 24.7 Ų | 24.7 | 19% | 0.193 | 14% | 0.139 | C | C | . | . | trans | -73.4 | 93.1 | 178.9 | -165.6 | -60.5 | 0 | 0 | 0 | 110.7 | N75 S174 A177 V181 A182 I183 | N75-N179 PolarHBondContact O-ND2 3.3Å; S174-N179 WeakPolarHBondContact O-CB 3.34Å; S174-N179 PolarHBondContact O-N 2.85Å; A177-N179 VanDerWaalsContact C-N 3.27Å; A177-N179 PolarHBondContact O-N 3.27Å; N179-V181 PolarHBondContact O-N 3.19Å; N179-V181 VanDerWaalsContact O-N 3.07Å; N179-V181 WeakPolarHBondContact OD1-CB 3.32Å; N179-V181 PolarHBondContact OD1-N 3.38Å; N179-A182 HydrophobicContact CB-CB 4.03Å; N179-A182 WeakPolarHBondContact O-CB 3.31Å; N179-A182 PolarHBondContact O-N 3.21Å; N179-A182 PolarHBondContact OD1-N 2.67Å; N179-A182 VanDerWaalsContact OD1-N 3.09Å; N179-I183 WeakPolarHBondContact O-CG1 3.43Å; N179-I183 PolarHBondContact O-N 3.18Å | ||
| 180 | L | 95.1 | Very high | 95.4 | Very high | 5 Ų | 5 | 21.8 Ų | 21.8 | 3% | 0.026 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -50.3 | -34.1 | 179.7 | -179.3 | 59.3 | 0 | 0 | 0 | 113.7 | L77 F87 Q91 L112 E113 K178 I183 V184 | L77-L180 HydrophobicContact CD2-CD2 4.12Å; F87-L180 HydrophobicContact CE1-CD2 3.75Å; F87-L180 HydrophobicContact CE1-CG 4.4Å; F87-L180 HydrophobicContact CZ-CD2 3.75Å; F87-L180 HydrophobicContact CZ-CG 3.89Å; Q91-L180 HydrophobicContact CG-CD1 4.35Å; L112-L180 HydrophobicContact CB-CD1 3.93Å; L112-L180 HydrophobicContact CD1-CD1 4.23Å; E113-L180 HydrophobicContact CG-CB 3.7Å; E113-L180 HydrophobicContact CG-CD1 4.08Å; E113-L180 HydrophobicContact CG-CG 4.29Å; E113-L180 WeakPolarHBondContact OE1-CB 3.32Å; K178-L180 PolarHBondContact O-N 2.91Å; L180-I183 PolarHBondContact O-N 2.98Å; L180-V184 HydrophobicContact CD1-CG2 3.98Å; L180-V184 HydrophobicContact CG-CG2 4.44Å; L180-V184 WeakPolarHBondContact O-CB 3.38Å; L180-V184 VanDerWaalsContact O-CG2 3.27Å; L180-V184 WeakPolarHBondContact O-CG2 3.34Å; L180-V184 PolarHBondContact O-N 2.83Å |
| 181 | V | 94.6 | Very high | 95.3 | Very high | 7 Ų | 7 | 21.3 Ų | 21.3 | 4% | 0.042 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -69.5 | -44.5 | 178.6 | 176 | 0 | 0 | 0 | 0 | 110.8 | L77 N179 V184 Y185 V206 V208 K225 L227 | L77-V181 HydrophobicContact CB-CG2 3.91Å; L77-V181 HydrophobicContact CD1-CG2 4.01Å; L77-V181 HydrophobicContact CG-CG2 4.44Å; N179-V181 PolarHBondContact O-N 3.19Å; N179-V181 VanDerWaalsContact O-N 3.07Å; N179-V181 WeakPolarHBondContact OD1-CB 3.32Å; N179-V181 PolarHBondContact OD1-N 3.38Å; V181-V184 PolarHBondContact O-N 3.4Å; V181-Y185 HydrophobicContact CG1-CD2 3.86Å; V181-Y185 HydrophobicContact CG1-CE2 3.72Å; V181-Y185 WeakPolarHBondContact O-CD2 3.22Å; V181-Y185 PolarHBondContact O-N 3.14Å; V181-V206 HydrophobicContact CG2-CG2 4.14Å; V181-V208 HydrophobicContact CG1-CG2 4.32Å; V181-V208 HydrophobicContact CG2-CG2 4.23Å; V181-K225 HydrophobicContact CG1-CD 4.2Å; V181-L227 HydrophobicContact CG1-CD2 4.07Å |
| 182 | A | 95.3 | Very high | 94.8 | Very high | 3 Ų | 3 | 19.1 Ų | 19.1 | 3% | 0.025 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -63.5 | -41.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | W170 I175 N179 Y185 L186 | W170-A182 HydrophobicContact CB-CB 4.1Å; I175-A182 HydrophobicContact CD1-CB 4.06Å; N179-A182 HydrophobicContact CB-CB 4.03Å; N179-A182 WeakPolarHBondContact O-CB 3.31Å; N179-A182 PolarHBondContact O-N 3.21Å; N179-A182 PolarHBondContact OD1-N 2.67Å; N179-A182 VanDerWaalsContact OD1-N 3.09Å; A182-Y185 PolarHBondContact O-N 3.13Å; A182-L186 WeakPolarHBondContact O-CB 3.4Å; A182-L186 PolarHBondContact O-N 3.15Å |
| 183 | I | 97.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.5 | -45.5 | 177.4 | -62.1 | 164.3 | 0 | 0 | 0 | 110.6 | L112 C116 I175 N179 L180 L186 L187 | L112-I183 HydrophobicContact CB-CG2 3.97Å; C116-I183 HydrophobicContact CB-CG2 4Å; I175-I183 HydrophobicContact CD1-CB 4.24Å; I175-I183 HydrophobicContact CD1-CG1 3.55Å; I175-I183 HydrophobicContact CG2-CG1 4.34Å; N179-I183 WeakPolarHBondContact O-CG1 3.43Å; N179-I183 PolarHBondContact O-N 3.18Å; L180-I183 PolarHBondContact O-N 2.98Å; I183-L186 PolarHBondContact O-N 2.99Å; I183-L187 HydrophobicContact CG2-CD1 3.8Å; I183-L187 HydrophobicContact CG2-CG 4.48Å; I183-L187 VanDerWaalsContact O-CG 3.27Å; I183-L187 WeakPolarHBondContact O-CG 3.29Å; I183-L187 PolarHBondContact O-N 3.39Å |
| 184 | V | 97.2 | Very high | 94 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -66 | -40.1 | 177.3 | 169.4 | 0 | 0 | 0 | 0 | 111.7 | F87 L90 Q91 L94 L112 L180 V181 L186 L187 V188 L227 | F87-V184 HydrophobicContact CE2-CG1 4.42Å; F87-V184 HydrophobicContact CE2-CG2 4.2Å; L90-V184 HydrophobicContact CD2-CG1 3.79Å; L90-V184 HydrophobicContact CG-CG1 4.27Å; Q91-V184 HydrophobicContact CG-CG2 4.3Å; L94-V184 HydrophobicContact CD1-CB 4.5Å; L94-V184 HydrophobicContact CD1-CG1 4.01Å; L94-V184 HydrophobicContact CD1-CG2 4.31Å; L112-V184 HydrophobicContact CD1-CG2 3.85Å; L180-V184 HydrophobicContact CD1-CG2 3.98Å; L180-V184 HydrophobicContact CG-CG2 4.44Å; L180-V184 WeakPolarHBondContact O-CB 3.38Å; L180-V184 VanDerWaalsContact O-CG2 3.27Å; L180-V184 WeakPolarHBondContact O-CG2 3.34Å; L180-V184 PolarHBondContact O-N 2.83Å; V181-V184 PolarHBondContact O-N 3.4Å; V184-L186 PolarHBondContact O-N 2.92Å; V184-L187 PolarHBondContact O-N 2.95Å; V184-V188 HydrophobicContact CG1-CG2 4.08Å; V184-V188 WeakPolarHBondContact O-CB 3.31Å; V184-V188 VanDerWaalsContact O-CG2 3.3Å; V184-V188 WeakPolarHBondContact O-CG2 3.16Å; V184-V188 PolarHBondContact O-N 3.11Å; V184-L227 HydrophobicContact CG1-CD1 4.07Å |
| 185 | Y | 95.3 | Very high | 93.4 | Very high | 35 Ų | 35 | 20.1 Ų | 20.1 | 14% | 0.137 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -59.5 | -45.6 | 174.3 | -89.7 | -61.5 | 0 | 0 | 0 | 112.8 | E169 V181 A182 L187 A189 K225 E226 L227 | E169-Y185 HydrophobicContact CB-CD1 4.25Å; E169-Y185 HydrophobicContact CB-CD2 3.5Å; E169-Y185 HydrophobicContact CB-CE2 4.05Å; E169-Y185 HydrophobicContact CB-CG 3.62Å; E169-Y185 HydrophobicContact CG-CD1 4.02Å; E169-Y185 HydrophobicContact CG-CD2 3.93Å; E169-Y185 HydrophobicContact CG-CE1 4.15Å; E169-Y185 HydrophobicContact CG-CE2 4.06Å; E169-Y185 HydrophobicContact CG-CG 3.91Å; V181-Y185 HydrophobicContact CG1-CD2 3.86Å; V181-Y185 HydrophobicContact CG1-CE2 3.72Å; V181-Y185 WeakPolarHBondContact O-CD2 3.22Å; V181-Y185 PolarHBondContact O-N 3.14Å; A182-Y185 PolarHBondContact O-N 3.13Å; Y185-L187 PolarHBondContact O-N 3.34Å; Y185-A189 WeakPolarHBondContact O-CB 3.28Å; Y185-A189 PolarHBondContact O-N 3.24Å; Y185-K225 HydrophobicContact CE2-CB 4.33Å; Y185-K225 HydrophobicContact CE2-CD 3.64Å; Y185-K225 WeakPolarHBondContact OH-CB 3.42Å; Y185-E226 VanDerWaalsContact CE1-O 3.29Å; Y185-E226 WeakPolarHBondContact CE1-O 3.43Å; Y185-E226 PolarHBondContact OH-O 3.3Å; Y185-L227 HydrophobicContact CD2-CD2 4.05Å; Y185-L227 HydrophobicContact CE1-CD2 4.12Å; Y185-L227 HydrophobicContact CE2-CD2 3.56Å |
| 186 | L | 97.4 | Very high | 92.8 | Very high | 2 Ų | 2 | 20.3 Ų | 20.3 | 1% | 0.01 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -58.6 | -47 | 177.1 | 172.6 | 63.6 | 0 | 0 | 0 | 111.3 | L122 L154 V157 W170 I175 A182 I183 V184 A189 L190 | L122-L186 HydrophobicContact CD1-CD2 3.72Å; L122-L186 HydrophobicContact CD2-CD2 3.85Å; L122-L186 HydrophobicContact CG-CD2 4.37Å; L154-L186 HydrophobicContact CD2-CD1 4.07Å; L154-L186 HydrophobicContact CD2-CD2 3.68Å; V157-L186 HydrophobicContact CB-CD1 4.48Å; V157-L186 HydrophobicContact CG1-CD1 3.67Å; W170-L186 HydrophobicContact CD2-CB 3.93Å; W170-L186 HydrophobicContact CD2-CD1 4.03Å; W170-L186 HydrophobicContact CE3-CB 3.93Å; W170-L186 HydrophobicContact CG-CB 4.23Å; W170-L186 HydrophobicContact CG-CD1 4.36Å; W170-L186 HydrophobicContact CZ2-CD1 4.1Å; W170-L186 HydrophobicContact CZ3-CB 4.5Å; I175-L186 HydrophobicContact CD1-CD2 4.04Å; A182-L186 WeakPolarHBondContact O-CB 3.4Å; A182-L186 PolarHBondContact O-N 3.15Å; I183-L186 PolarHBondContact O-N 2.99Å; V184-L186 PolarHBondContact O-N 2.92Å; L186-A189 PolarHBondContact O-N 3.48Å; L186-L190 HydrophobicContact CD1-CD1 4.13Å; L186-L190 HydrophobicContact CG-CD1 4.3Å; L186-L190 WeakPolarHBondContact O-CG 3.37Å; L186-L190 PolarHBondContact O-N 3.24Å |
| 187 | L | 97.7 | Very high | 92 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -71.2 | -39.8 | -178.3 | -67.8 | 170.3 | 0 | 0 | 0 | 112.9 | L94 W97 I98 L112 L122 L125 I183 V184 Y185 A189 L190 A191 | L94-L187 HydrophobicContact CD1-CB 4.04Å; L94-L187 HydrophobicContact CD2-CB 4.07Å; W97-L187 HydrophobicContact CZ3-CD2 4.47Å; I98-L187 HydrophobicContact CD1-CD1 3.84Å; I98-L187 HydrophobicContact CD1-CD2 3.73Å; I98-L187 HydrophobicContact CD1-CG 4.4Å; I98-L187 HydrophobicContact CG1-CD2 4.41Å; L112-L187 HydrophobicContact CD1-CD1 4.02Å; L112-L187 HydrophobicContact CD2-CD1 3.74Å; L112-L187 HydrophobicContact CG-CD1 4.41Å; L122-L187 HydrophobicContact CD2-CD2 3.94Å; L125-L187 HydrophobicContact CD2-CD2 3.56Å; I183-L187 HydrophobicContact CG2-CD1 3.8Å; I183-L187 HydrophobicContact CG2-CG 4.48Å; I183-L187 VanDerWaalsContact O-CG 3.27Å; I183-L187 WeakPolarHBondContact O-CG 3.29Å; I183-L187 PolarHBondContact O-N 3.39Å; V184-L187 PolarHBondContact O-N 2.95Å; Y185-L187 PolarHBondContact O-N 3.34Å; L187-A189 VanDerWaalsContact C-N 3.34Å; L187-L190 PolarHBondContact O-N 2.9Å; L187-A191 VanDerWaalsContact O-CB 3.29Å; L187-A191 WeakPolarHBondContact O-CB 3.48Å; L187-A191 PolarHBondContact O-N 3.32Å |
| 188 | V | 95.3 | Very high | 91.5 | Very high | 4 Ų | 4 | 21.1 Ų | 21.1 | 2% | 0.024 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.5 | -42.8 | 172.8 | 168.6 | 0 | 0 | 0 | 0 | 110.8 | L90 L94 V184 M192 L200 T228 M234 | L90-V188 HydrophobicContact CD1-CG2 4.18Å; L94-V188 HydrophobicContact CD1-CG2 4.15Å; V184-V188 HydrophobicContact CG1-CG2 4.08Å; V184-V188 WeakPolarHBondContact O-CB 3.31Å; V184-V188 VanDerWaalsContact O-CG2 3.3Å; V184-V188 WeakPolarHBondContact O-CG2 3.16Å; V184-V188 PolarHBondContact O-N 3.11Å; V188-M192 WeakPolarHBondContact O-CB 3.3Å; V188-M192 WeakPolarHBondContact O-CG 3.45Å; V188-M192 PolarHBondContact O-N 2.91Å; V188-L200 HydrophobicContact CB-CD1 4.41Å; V188-L200 HydrophobicContact CG1-CD1 3.99Å; V188-L200 HydrophobicContact CG2-CD1 4.22Å; V188-T228 HydrophobicContact CG1-CG2 4.31Å; V188-T228 HydrophobicContact CG2-CG2 4.22Å; V188-M234 HydrophobicContact CG1-SD 4.49Å |
| 189 | A | 93.1 | Very high | 91 | Very high | 2 Ų | 2 | 26.1 Ų | 26.1 | 2% | 0.017 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -66.4 | -39.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | L161 W166 W170 Y185 L186 L187 H193 | L161-A189 HydrophobicContact CD1-CB 3.79Å; W166-A189 HydrophobicContact CD2-CB 4.01Å; W166-A189 HydrophobicContact CE3-CB 3.57Å; W166-A189 HydrophobicContact CZ3-CB 3.87Å; W170-A189 HydrophobicContact CH2-CB 3.8Å; W170-A189 HydrophobicContact CZ3-CB 4.11Å; Y185-A189 WeakPolarHBondContact O-CB 3.28Å; Y185-A189 PolarHBondContact O-N 3.24Å; L186-A189 PolarHBondContact O-N 3.48Å; L187-A189 VanDerWaalsContact C-N 3.34Å; A189-H193 VanDerWaalsContact O-CB 3.22Å; A189-H193 WeakPolarHBondContact O-CB 3.41Å; A189-H193 PolarHBondContact O-N 3.26Å |
| 190 | L | 94.4 | Very high | 90.8 | Very high | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -67 | -47.2 | 174 | -74.3 | 171.1 | 0 | 0 | 0 | 112.4 | W97 L125 F126 V157 L186 L187 M192 H193 Y194 | W97-L190 HydrophobicContact CH2-CB 4.16Å; L125-L190 HydrophobicContact CD2-CD1 4.45Å; F126-L190 HydrophobicContact CD2-CD2 4.27Å; V157-L190 HydrophobicContact CG1-CD2 4.02Å; V157-L190 HydrophobicContact CG1-CG 4.4Å; V157-L190 HydrophobicContact CG2-CD1 4.48Å; V157-L190 HydrophobicContact CG2-CD2 4.27Å; L186-L190 HydrophobicContact CD1-CD1 4.13Å; L186-L190 HydrophobicContact CG-CD1 4.3Å; L186-L190 WeakPolarHBondContact O-CG 3.37Å; L186-L190 PolarHBondContact O-N 3.24Å; L187-L190 PolarHBondContact O-N 2.9Å; L190-M192 VanDerWaalsContact C-N 3.3Å; L190-M192 PolarHBondContact O-N 3.13Å; L190-H193 PolarHBondContact O-N 3.46Å; L190-Y194 HydrophobicContact CD2-CD2 4.46Å; L190-Y194 HydrophobicContact CD2-CE2 4.2Å; L190-Y194 PolarHBondContact O-N 3.06Å |
| 191 | A | 92.7 | Very high | 90.6 | Very high | 4 Ų | 4 | 25.4 Ų | 25.4 | 3% | 0.033 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -58.8 | -42.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | W97 L187 L195 A196 I198 L200 | W97-A191 HydrophobicContact CD2-CB 4.43Å; W97-A191 HydrophobicContact CE3-CB 4.04Å; W97-A191 HydrophobicContact CH2-CB 3.76Å; W97-A191 HydrophobicContact CZ2-CB 4.16Å; W97-A191 HydrophobicContact CZ3-CB 3.7Å; L187-A191 VanDerWaalsContact O-CB 3.29Å; L187-A191 WeakPolarHBondContact O-CB 3.48Å; L187-A191 PolarHBondContact O-N 3.32Å; A191-L195 PolarHBondContact O-N 3.47Å; A191-A196 HydrophobicContact CB-CB 4.12Å; A191-A196 WeakPolarHBondContact O-CB 3.48Å; A191-A196 PolarHBondContact O-N 3.15Å; A191-I198 HydrophobicContact CB-CD1 4.02Å; A191-L200 HydrophobicContact CB-CD1 4.4Å |
| 192 | M | 87.2 | Confident | 90.3 | Very high | 12 Ų | 12 | 28.2 Ų | 28.2 | 6% | 0.059 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -69.5 | -42.1 | 175.1 | -75 | -76.3 | 168.1 | 0 | 0 | 112.1 | W166 V188 L190 Y194 L195 L200 M234 M235 F238 | W166-M192 HydrophobicContact CH2-CB 3.57Å; W166-M192 HydrophobicContact CH2-CG 4.1Å; W166-M192 HydrophobicContact CZ2-CB 3.72Å; V188-M192 WeakPolarHBondContact O-CB 3.3Å; V188-M192 WeakPolarHBondContact O-CG 3.45Å; V188-M192 PolarHBondContact O-N 2.91Å; L190-M192 VanDerWaalsContact C-N 3.3Å; L190-M192 PolarHBondContact O-N 3.13Å; M192-Y194 PolarHBondContact O-N 3.11Å; M192-L195 PolarHBondContact O-N 2.91Å; M192-L200 HydrophobicContact CE-CB 4.45Å; M192-L200 HydrophobicContact CE-CD1 3.66Å; M192-L200 HydrophobicContact CE-CG 4.37Å; M192-L200 HydrophobicContact CG-CD1 4.27Å; M192-M234 HydrophobicContact CE-CB 3.9Å; M192-M234 HydrophobicContact CE-CE 3.55Å; M192-M234 HydrophobicContact CE-SD 3.92Å; M192-M234 HydrophobicContact CG-CB 4.27Å; M192-M234 HydrophobicContact SD-CB 3.7Å; M192-M235 HydrophobicContact SD-CG 4.23Å; M192-F238 WeakPolarHBondContact O-CE2 3.1Å; M192-F238 WeakPolarHBondContact O-CZ 3.49Å |
| 193 | H | 86.4 | Confident | 90 | Very high | 33 Ų | 33 | 32.6 Ų | 32.6 | 15% | 0.153 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.8 | -43.2 | 179.4 | -175 | 89.5 | 0 | 0 | 0 | 113 | L160 L161 H164 A189 L190 L195 F238 | L160-H193 WeakPolarHBondContact CD1-NE2 3.1Å; L161-H193 HydrophobicContact CD2-CB 3.53Å; H164-H193 AromaticContact CE1-CE1 3.7Å; H164-H193 AromaticContact ND1-CE1 3.57Å; A189-H193 VanDerWaalsContact O-CB 3.22Å; A189-H193 WeakPolarHBondContact O-CB 3.41Å; A189-H193 PolarHBondContact O-N 3.26Å; L190-H193 PolarHBondContact O-N 3.46Å; H193-L195 VanDerWaalsContact C-N 3.27Å; H193-L195 PolarHBondContact O-N 3.41Å; H193-F238 HydrophobicContact CB-CE1 4.46Å; H193-F238 AromaticContact ND1-CE1 3.95Å |
| 194 | Y | 86.3 | Confident | 89.9 | Confident | 64 Ų | 64 | 32.6 Ų | 32.6 | 25% | 0.251 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 4.7 | 179.4 | -75.2 | -75.2 | 0 | 0 | 0 | 114 | L129 S130 L160 L190 M192 A196 | L129-Y194 HydrophobicContact CB-CD1 3.98Å; L129-Y194 HydrophobicContact CB-CD2 3.7Å; L129-Y194 HydrophobicContact CB-CE1 4.09Å; L129-Y194 HydrophobicContact CB-CE2 3.79Å; L129-Y194 HydrophobicContact CB-CG 3.79Å; L129-Y194 HydrophobicContact CD1-CD2 3.82Å; L129-Y194 HydrophobicContact CD1-CE2 4.39Å; L129-Y194 HydrophobicContact CD1-CG 4.27Å; L129-Y194 HydrophobicContact CD2-CG 4.28Å; L129-Y194 HydrophobicContact CG-CD2 4.26Å; L129-Y194 HydrophobicContact CG-CG 4.34Å; L129-Y194 WeakPolarHBondContact O-CD1 3.32Å; L129-Y194 WeakPolarHBondContact O-CE1 3.24Å; S130-Y194 WeakPolarHBondContact CA-OH 3.42Å; S130-Y194 WeakPolarHBondContact CB-OH 3.37Å; L160-Y194 HydrophobicContact CD2-CE2 3.57Å; L160-Y194 WeakPolarHBondContact CD2-OH 3.08Å; L190-Y194 HydrophobicContact CD2-CD2 4.46Å; L190-Y194 HydrophobicContact CD2-CE2 4.2Å; L190-Y194 PolarHBondContact O-N 3.06Å; M192-Y194 PolarHBondContact O-N 3.11Å; Y194-A196 PolarHBondContact O-N 3.08Å |
| 195 | L | 82.4 | Confident | 89.7 | Confident | 60 Ų | 60 | 34.7 Ų | 34.7 | 31% | 0.314 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 45.6 | -177.4 | -59.6 | 174.2 | 0 | 0 | 0 | 111.8 | A191 M192 H193 M235 F238 R338 | A191-L195 PolarHBondContact O-N 3.47Å; M192-L195 PolarHBondContact O-N 2.91Å; H193-L195 VanDerWaalsContact C-N 3.27Å; H193-L195 PolarHBondContact O-N 3.41Å; L195-M235 HydrophobicContact CD2-SD 4.23Å; L195-F238 HydrophobicContact CD2-CE2 4.22Å; L195-R338 HydrophobicContact CB-CG 3.99Å; L195-R338 WeakPolarHBondContact O-CD 3.35Å |
| 196 | A | 83.5 | Confident | 89.7 | Confident | 4 Ų | 4 | 33 Ų | 33 | 3% | 0.033 | 16% | 0.163 | C | C | . | . | trans | -51.3 | 145.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112 | W97 A191 Y194 I198 R338 | W97-A196 HydrophobicContact CD2-CB 4.43Å; W97-A196 HydrophobicContact CZ2-CB 3.9Å; A191-A196 HydrophobicContact CB-CB 4.12Å; A191-A196 WeakPolarHBondContact O-CB 3.48Å; A191-A196 PolarHBondContact O-N 3.15Å; Y194-A196 PolarHBondContact O-N 3.08Å; A196-I198 HydrophobicContact CB-CD1 4.21Å; A196-I198 HydrophobicContact CB-CG1 4.04Å; A196-I198 PolarHBondContact O-N 3.48Å; A196-R338 PolarHBondContact O-NH1 3.39Å | ||
| 197 | P | 78.2 | Confident | 89.5 | Confident | 78 Ų | 78 | 36.1 Ų | 36.1 | 51% | 0.506 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -77.2 | 48 | -175.6 | 33.8 | -37.5 | 0 | 0 | 0 | 112.4 | ||
| 198 | I | 83.8 | Confident | 89.1 | Confident | 29 Ų | 29 | 36.3 Ų | 36.3 | 15% | 0.149 | 18% | 0.178 | C | C | . | . | trans | -132.4 | 151 | -174.7 | 69.9 | -178.6 | 0 | 0 | 0 | 111.6 | V93 W97 A191 A196 L200 R338 | V93-I198 HydrophobicContact CG1-CB 4.24Å; V93-I198 HydrophobicContact CG1-CD1 4.27Å; W97-I198 HydrophobicContact CB-CD1 3.76Å; W97-I198 HydrophobicContact CB-CG2 3.97Å; W97-I198 HydrophobicContact CD2-CD1 3.91Å; W97-I198 HydrophobicContact CE3-CD1 4.3Å; W97-I198 HydrophobicContact CG-CD1 3.65Å; W97-I198 HydrophobicContact CG-CG2 4.05Å; A191-I198 HydrophobicContact CB-CD1 4.02Å; A196-I198 HydrophobicContact CB-CD1 4.21Å; A196-I198 HydrophobicContact CB-CG1 4.04Å; A196-I198 PolarHBondContact O-N 3.48Å; I198-L200 HydrophobicContact CD1-CD2 3.76Å; I198-L200 HydrophobicContact CD1-CG 4.37Å; I198-L200 HydrophobicContact CG1-CD2 4.26Å; I198-L200 HydrophobicContact CG1-CG 4.43Å; I198-R338 PolarHBondContact O-NH1 2.99Å | ||
| 199 | R | 83.6 | Confident | 88.8 | Confident | 169 Ų | 169 | 37.3 Ų | 37.3 | 64% | 0.638 | 18% | 0.184 | S | C | * | . | trans | -103.6 | 94.6 | 174 | -172.6 | 175.6 | -177.3 | 164.9 | 1.7 | 109.8 | ||||
| 200 | L | 89.5 | Confident | 88.5 | Confident | 5 Ų | 5 | 38.1 Ų | 38.1 | 3% | 0.026 | 19% | 0.189 | C | C | . | . | P | Polyproline II helix | trans | -62.8 | 134.2 | 172 | -62.3 | 178.9 | 0 | 0 | 0 | 109.8 | L90 V93 L94 V188 A191 M192 I198 E202 T228 | L90-L200 HydrophobicContact CD1-CB 4.39Å; L90-L200 HydrophobicContact CD1-CD2 3.94Å; V93-L200 HydrophobicContact CG1-CD2 4.02Å; L94-L200 HydrophobicContact CD2-CD2 3.75Å; L94-L200 HydrophobicContact CG-CD2 4.24Å; V188-L200 HydrophobicContact CB-CD1 4.41Å; V188-L200 HydrophobicContact CG1-CD1 3.99Å; V188-L200 HydrophobicContact CG2-CD1 4.22Å; A191-L200 HydrophobicContact CB-CD1 4.4Å; M192-L200 HydrophobicContact CE-CB 4.45Å; M192-L200 HydrophobicContact CE-CD1 3.66Å; M192-L200 HydrophobicContact CE-CG 4.37Å; M192-L200 HydrophobicContact CG-CD1 4.27Å; I198-L200 HydrophobicContact CD1-CD2 3.76Å; I198-L200 HydrophobicContact CD1-CG 4.37Å; I198-L200 HydrophobicContact CG1-CD2 4.26Å; I198-L200 HydrophobicContact CG1-CG 4.43Å; L200-E202 PolarHBondContact O-N 2.97Å; L200-T228 HydrophobicContact CB-CG2 4.47Å |
| 201 | P | 90.6 | Very high | 88 | Confident | 21 Ų | 21 | 38.8 Ų | 38.8 | 14% | 0.136 | 19% | 0.193 | C | C | . | . | P | Polyproline II helix | trans | -59.6 | 136.7 | 174.7 | -26.2 | 35.8 | 0 | 0 | 0 | 111.8 | D89 L90 V204 T228 | D89-P201 HydrophobicContact CB-CG 4.37Å; D89-P201 WeakPolarHBondContact OD2-CG 3.42Å; L90-P201 HydrophobicContact CB-CG 4.41Å; P201-V204 HydrophobicContact CB-CG2 3.88Å; P201-V204 WeakPolarHBondContact O-CG2 3.44Å; P201-T228 VanDerWaalsContact O-CB 3.31Å; P201-T228 WeakPolarHBondContact O-CB 3.46Å; P201-T228 PolarHBondContact O-OG1 3.44Å |
| 202 | E | 88.6 | Confident | 87.5 | Confident | 67 Ų | 67 | 40.7 Ų | 40.7 | 31% | 0.313 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -89.3 | 149.6 | -174.3 | -62.7 | -175.5 | 133.7 | 0 | 0 | 112.4 | K86 L200 S229 T231 | K86-E202 PolarHBondContact NZ-O 3.28Å; L200-E202 PolarHBondContact O-N 2.97Å; E202-S229 WeakPolarHBondContact CA-O 3.16Å; E202-S229 WeakPolarHBondContact CB-O 3.41Å; E202-T231 WeakPolarHBondContact OE1-CB 3.33Å; E202-T231 PolarHBondContact OE1-N 3.32Å; E202-T231 PolarHBondContact OE1-OG1 2.85Å |
| 203 | H | 90 | Very high | 87.3 | Confident | 95 Ų | 95 | 42.7 Ų | 42.7 | 44% | 0.44 | 21% | 0.209 | S | C | . | . | S | Bend | trans | 50.6 | 58.5 | -177.2 | -54.6 | -68.5 | 0 | 0 | 0 | 112.6 | K86 T228 S229 T230 | K86-H203 PolarHBondContact NZ-O 3.15Å; H203-T228 WeakPolarHBondContact CA-O 3.3Å; H203-T228 PolarHBondContact N-O 2.71Å; H203-S229 PolarHBondContact N-O 3.33Å; H203-S229 VanDerWaalsContact N-O 3.13Å; H203-T230 WeakPolarHBondContact NE2-CG2 3.43Å |
| 204 | V | 94.6 | Very high | 87 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 114.8 | 170.9 | -174.3 | 0 | 0 | 0 | 0 | 108.3 | K86 F87 L90 P201 L227 T228 | K86-V204 HydrophobicContact CB-CG1 4.47Å; K86-V204 HydrophobicContact CB-CG2 4.2Å; K86-V204 HydrophobicContact CD-CG2 4.35Å; F87-V204 HydrophobicContact CB-CG1 4.13Å; F87-V204 HydrophobicContact CD2-CG1 4.23Å; L90-V204 HydrophobicContact CB-CG1 4.45Å; L90-V204 HydrophobicContact CB-CG2 4.41Å; L90-V204 HydrophobicContact CD2-CB 4.05Å; L90-V204 HydrophobicContact CD2-CG1 3.86Å; L90-V204 HydrophobicContact CD2-CG2 4.34Å; P201-V204 HydrophobicContact CB-CG2 3.88Å; P201-V204 WeakPolarHBondContact O-CG2 3.44Å; V204-L227 HydrophobicContact CG1-CD1 4.28Å; V204-L227 WeakPolarHBondContact O-CA 3.15Å; V204-L227 WeakPolarHBondContact O-CB 3.32Å; V204-L227 PolarHBondContact O-N 2.88Å; V204-T228 VanDerWaalsContact CB-OG1 3.28Å; V204-T228 WeakPolarHBondContact CB-OG1 3.3Å; V204-T228 WeakPolarHBondContact CG2-OG1 3.32Å; V204-T228 PolarHBondContact N-O 3.16Å; V204-T228 PolarHBondContact N-OG1 3.49Å; V204-T228 PolarHBondContact O-N 3.47Å |
| 205 | S | 94.1 | Very high | 86.9 | Confident | 43 Ų | 43 | 52.4 Ų | 52.4 | 30% | 0.301 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 146.5 | 176.2 | -55.1 | 0 | 0 | 0 | 0 | 110.1 | K225 E226 | S205-K225 CarbonylContact C-O 3.6Å; S205-K225 VanDerWaalsContact CA-O 3.27Å; S205-K225 WeakPolarHBondContact CA-O 3.26Å; S205-E226 WeakPolarHBondContact OG-CA 3.44Å |
| 206 | V | 94.3 | Very high | 86.6 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 147.6 | -178.3 | -66.6 | 0 | 0 | 0 | 0 | 110.6 | L77 F87 V181 V208 T224 K225 L227 | L77-V206 HydrophobicContact CD1-CB 3.62Å; L77-V206 HydrophobicContact CD1-CG1 3.86Å; L77-V206 HydrophobicContact CD1-CG2 4Å; F87-V206 HydrophobicContact CB-CG1 4.17Å; F87-V206 HydrophobicContact CD1-CG1 4.03Å; F87-V206 HydrophobicContact CD2-CG1 3.74Å; F87-V206 HydrophobicContact CE1-CG1 4.36Å; F87-V206 HydrophobicContact CE2-CG1 4.1Å; F87-V206 HydrophobicContact CG-CG1 3.7Å; F87-V206 HydrophobicContact CZ-CG1 4.38Å; V181-V206 HydrophobicContact CG2-CG2 4.14Å; V206-V208 HydrophobicContact CG2-CG2 4.31Å; V206-T224 WeakPolarHBondContact O-CA 3.36Å; V206-K225 HydrophobicContact CG2-CB 4.28Å; V206-K225 PolarHBondContact N-O 3.21Å; V206-K225 PolarHBondContact O-N 2.92Å; V206-L227 HydrophobicContact CG1-CD1 3.84Å; V206-L227 HydrophobicContact CG2-CD1 3.96Å; V206-L227 HydrophobicContact CG2-CD2 4.01Å; V206-L227 HydrophobicContact CG2-CG 4.07Å |
| 207 | Q | 92.8 | Very high | 86.4 | Confident | 66 Ų | 66 | 56.3 Ų | 56.3 | 31% | 0.308 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 135.2 | 166.2 | -67.6 | -69.8 | 13.9 | 0 | 0 | 109.9 | D78 S81 T224 | D78-Q207 HydrophobicContact CB-CB 3.67Å; D78-Q207 WeakPolarHBondContact CB-O 3.32Å; D78-Q207 PolarHBondContact N-O 2.84Å; S81-Q207 WeakPolarHBondContact OG-CB 3.49Å; S81-Q207 PolarHBondContact OG-N 2.69Å; Q207-T224 PolarHBondContact NE2-OG1 3.05Å; Q207-T224 PolarHBondContact OE1-OG1 3.1Å |
| 208 | V | 90.6 | Very high | 86.7 | Confident | 4 Ų | 4 | 55.9 Ų | 55.9 | 2% | 0.024 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 126.3 | 174.8 | -178.9 | 0 | 0 | 0 | 0 | 108.2 | N75 M76 V181 V206 H222 V223 K225 | N75-V208 HydrophobicContact CB-CG1 3.82Å; M76-V208 WeakPolarHBondContact O-CA 3.28Å; V181-V208 HydrophobicContact CG1-CG2 4.32Å; V181-V208 HydrophobicContact CG2-CG2 4.23Å; V206-V208 HydrophobicContact CG2-CG2 4.31Å; V208-H222 WeakPolarHBondContact O-CA 3.4Å; V208-V223 PolarHBondContact N-O 2.65Å; V208-V223 PolarHBondContact O-N 2.9Å; V208-K225 HydrophobicContact CG2-CB 4.16Å; V208-K225 HydrophobicContact CG2-CD 4.37Å; V208-K225 HydrophobicContact CG2-CG 3.94Å |
| 209 | V | 88.2 | Confident | 86.7 | Confident | 25 Ų | 25 | 59 Ų | 59 | 15% | 0.152 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 115.4 | 172.1 | -172.7 | 0 | 0 | 0 | 0 | 107.8 | N75 M76 D78 V211 T220 | N75-V209 WeakPolarHBondContact CA-O 3.5Å; M76-V209 HydrophobicContact CB-CB 4.47Å; M76-V209 PolarHBondContact N-O 3.08Å; M76-V209 PolarHBondContact O-N 3.23Å; D78-V209 HydrophobicContact CB-CG2 4.26Å; V209-V211 HydrophobicContact CG1-CG2 4.13Å; V209-T220 HydrophobicContact CG1-CG2 3.57Å |
| 210 | V | 86 | Confident | 86.7 | Confident | 19 Ų | 19 | 54.9 Ų | 54.9 | 12% | 0.115 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 113.5 | 176.5 | -179 | 0 | 0 | 0 | 0 | 107.6 | E73 N75 T220 S221 V223 | E73-V210 HydrophobicContact CG-CG1 3.72Å; N75-V210 WeakPolarHBondContact OD1-CG1 3.2Å; N75-V210 WeakPolarHBondContact OD1-CG2 3.35Å; V210-T220 CarbonylContact O-C 3.59Å; V210-T220 WeakPolarHBondContact O-CA 3.49Å; V210-S221 PolarHBondContact N-O 2.82Å; V210-S221 PolarHBondContact O-N 3.21Å; V210-V223 HydrophobicContact CG2-CB 4.14Å; V210-V223 HydrophobicContact CG2-CG2 3.65Å |
| 211 | V | 84.6 | Confident | 86.6 | Confident | 16 Ų | 16 | 57.4 Ų | 57.4 | 10% | 0.097 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 120.6 | 173.8 | -172.2 | 0 | 0 | 0 | 0 | 108.3 | L68 E73 R74 V209 L218 T220 | L68-V211 HydrophobicContact CD1-CB 4.28Å; L68-V211 HydrophobicContact CD1-CG1 3.88Å; L68-V211 WeakPolarHBondContact CD1-O 3.28Å; E73-V211 CarbonylContact C-O 3.6Å; E73-V211 WeakPolarHBondContact CA-O 3.37Å; R74-V211 PolarHBondContact N-O 3.21Å; R74-V211 PolarHBondContact O-N 3.42Å; V209-V211 HydrophobicContact CG1-CG2 4.13Å; V211-L218 HydrophobicContact CG1-CB 4.32Å; V211-L218 HydrophobicContact CG1-CD2 4.26Å; V211-T220 HydrophobicContact CG2-CG2 4.37Å |
| 212 | K | 83.3 | Confident | 86.4 | Confident | 44 Ų | 44 | 61.6 Ų | 61.6 | 19% | 0.191 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 129.1 | -178.6 | -166.7 | -178.9 | -165.2 | 68.7 | 0 | 110.9 | N71 A72 E73 Q219 | N71-K212 PolarHBondContact O-NZ 2.8Å; A72-K212 WeakPolarHBondContact O-CA 3.49Å; A72-K212 WeakPolarHBondContact O-CG 3.27Å; E73-K212 HydrophobicContact CB-CG 4.2Å; E73-K212 HydrophobicContact CG-CB 4.34Å; E73-K212 HydrophobicContact CG-CG 4.4Å; E73-K212 WeakPolarHBondContact OE2-CD 3.37Å; E73-K212 IonicContact OE2-NZ 3.89Å; E73-K212 PolarHBondContact OE2-NZ 3.43Å; K212-Q219 PolarHBondContact N-O 3.04Å; K212-Q219 PolarHBondContact O-N 3.44Å |
| 213 | K | 81.4 | Confident | 86.4 | Confident | 54 Ų | 54 | 61.3 Ų | 61.3 | 24% | 0.235 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 129.1 | 177.2 | -168.5 | 171 | -179.7 | 166.8 | 0 | 111.3 | L68 N71 A72 G216 I217 L218 | L68-K213 HydrophobicContact CB-CB 3.98Å; L68-K213 HydrophobicContact CB-CD 4.19Å; L68-K213 WeakPolarHBondContact O-CD 3.46Å; L68-K213 PolarHBondContact O-NZ 2.92Å; N71-K213 WeakPolarHBondContact CA-O 3.44Å; N71-K213 PolarHBondContact N-O 3.33Å; A72-K213 PolarHBondContact O-N 3.15Å; A72-K213 VanDerWaalsContact O-N 3.11Å; K213-G216 WeakPolarHBondContact CE-O 3.36Å; K213-I217 CarbonylContact C-O 3.58Å; K213-I217 WeakPolarHBondContact CA-O 3.3Å; K213-L218 HydrophobicContact CB-CD2 3.94Å; K213-L218 HydrophobicContact CD-CD2 4.33Å; K213-L218 HydrophobicContact CG-CD2 4.11Å |
| 214 | R | 81.7 | Confident | 86.5 | Confident | 115 Ų | 115 | 61 Ų | 61 | 43% | 0.434 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 127.5 | 177.8 | -85.3 | 174.2 | 163.9 | 166.2 | -5.5 | 111 | E70 G216 I217 Q219 | E70-R214 VanDerWaalsContact OE1-CA 3.3Å; E70-R214 WeakPolarHBondContact OE1-CA 3.47Å; R214-G216 PolarHBondContact O-N 2.89Å; R214-I217 PolarHBondContact N-O 3.47Å; R214-I217 WeakPolarHBondContact O-CB 3.49Å; R214-I217 PolarHBondContact O-N 2.73Å; R214-Q219 VanDerWaalsContact CD-OE1 3.28Å |
| 215 | E | 83.6 | Confident | 86.4 | Confident | 185 Ų | 185 | 63.2 Ų | 63.2 | 86% | 0.864 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55 | 37.3 | -177.2 | -56.8 | -179 | 171.1 | 0 | 0 | 111 | E70 I217 | E70-E215 PolarHBondContact OE1-N 3.43Å; E215-I217 PolarHBondContact O-N 2.68Å |
| 216 | G | 76.7 | Confident | 86.3 | Confident | 32 Ų | 32 | 65.6 Ų | 65.6 | 33% | 0.33 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.9 | -24.1 | -171.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | E70 K213 R214 | E70-G216 PolarHBondContact OE2-N 2.93Å; E70-G216 VanDerWaalsContact OE2-N 3.12Å; K213-G216 WeakPolarHBondContact CE-O 3.36Å; R214-G216 PolarHBondContact O-N 2.89Å |
| 217 | I | 79.3 | Confident | 86.2 | Confident | 114 Ų | 114 | 66 Ų | 66 | 59% | 0.585 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 136.3 | -173.9 | -55.8 | 175.8 | 0 | 0 | 0 | 111 | K213 R214 E215 Q219 | K213-I217 CarbonylContact C-O 3.58Å; K213-I217 WeakPolarHBondContact CA-O 3.3Å; R214-I217 PolarHBondContact N-O 3.47Å; R214-I217 WeakPolarHBondContact O-CB 3.49Å; R214-I217 PolarHBondContact O-N 2.73Å; E215-I217 PolarHBondContact O-N 2.68Å; I217-Q219 PolarHBondContact O-N 2.72Å |
| 218 | L | 83.1 | Confident | 86 | Confident | 70 Ų | 70 | 62.9 Ų | 62.9 | 37% | 0.366 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 112.5 | 170.1 | -61.8 | -179.3 | 0 | 0 | 0 | 110.3 | L68 V211 K213 | L68-L218 HydrophobicContact CB-CD2 4.41Å; L68-L218 HydrophobicContact CD1-CD2 4.08Å; V211-L218 HydrophobicContact CG1-CB 4.32Å; V211-L218 HydrophobicContact CG1-CD2 4.26Å; K213-L218 HydrophobicContact CB-CD2 3.94Å; K213-L218 HydrophobicContact CD-CD2 4.33Å; K213-L218 HydrophobicContact CG-CD2 4.11Å |
| 219 | Q | 83.4 | Confident | 85.7 | Confident | 93 Ų | 93 | 63.3 Ų | 63.3 | 44% | 0.435 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 119.5 | 170.5 | -61.7 | -175.5 | -7.5 | 0 | 0 | 108.9 | K212 R214 I217 | K212-Q219 PolarHBondContact N-O 3.04Å; K212-Q219 PolarHBondContact O-N 3.44Å; R214-Q219 VanDerWaalsContact CD-OE1 3.28Å; I217-Q219 PolarHBondContact O-N 2.72Å |
| 220 | T | 85.3 | Confident | 85.1 | Confident | 83 Ų | 83 | 63.9 Ų | 63.9 | 51% | 0.509 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 133.8 | 177.2 | -56.2 | 0 | 0 | 0 | 0 | 110.4 | V209 V210 V211 | V209-T220 HydrophobicContact CG1-CG2 3.57Å; V210-T220 CarbonylContact O-C 3.59Å; V210-T220 WeakPolarHBondContact O-CA 3.49Å; V211-T220 HydrophobicContact CG2-CG2 4.37Å |
| 221 | S | 86.2 | Confident | 84.2 | Confident | 59 Ų | 59 | 64 Ų | 64 | 41% | 0.413 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 161.6 | 170.3 | 67.9 | 0 | 0 | 0 | 0 | 111.4 | V210 | V210-S221 PolarHBondContact N-O 2.82Å; V210-S221 PolarHBondContact O-N 3.21Å |
| 222 | H | 86.5 | Confident | 83.1 | Confident | 108 Ų | 108 | 67.3 Ų | 67.3 | 50% | 0.5 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 133.3 | 173.3 | -67.1 | -110.1 | 0 | 0 | 0 | 109.2 | D78 V208 | D78-H222 IonicContact OD2-CE1 3.44Å; D78-H222 IonicContact OD2-ND1 2.72Å; D78-H222 PolarHBondContact OD2-ND1 3.21Å; V208-H222 WeakPolarHBondContact O-CA 3.4Å |
| 223 | V | 89.9 | Confident | 82.1 | Confident | 61 Ų | 61 | 71.1 Ų | 71.1 | 37% | 0.37 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 121 | -179.5 | 178.2 | 0 | 0 | 0 | 0 | 109.5 | V208 V210 K225 | V208-V223 PolarHBondContact N-O 2.65Å; V208-V223 PolarHBondContact O-N 2.9Å; V210-V223 HydrophobicContact CG2-CB 4.14Å; V210-V223 HydrophobicContact CG2-CG2 3.65Å; V223-K225 PolarHBondContact O-N 3.13Å |
| 224 | T | 92 | Very high | 81.3 | Confident | 90 Ų | 90 | 68.9 Ų | 68.9 | 55% | 0.552 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 122.8 | 172 | -46.1 | 0 | 0 | 0 | 0 | 109.7 | V206 Q207 | V206-T224 WeakPolarHBondContact O-CA 3.36Å; Q207-T224 PolarHBondContact NE2-OG1 3.05Å; Q207-T224 PolarHBondContact OE1-OG1 3.1Å |
| 225 | K | 91.5 | Very high | 80.3 | Confident | 45 Ų | 45 | 65 Ų | 65 | 20% | 0.196 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 118.4 | 172.6 | -76.7 | -140.3 | 178.5 | -167.8 | 0 | 110.3 | E169 V181 Y185 S205 V206 V208 V223 | E169-K225 IonicContact OE2-NZ 2.71Å; E169-K225 PolarHBondContact OE2-NZ 3.41Å; V181-K225 HydrophobicContact CG1-CD 4.2Å; Y185-K225 HydrophobicContact CE2-CB 4.33Å; Y185-K225 HydrophobicContact CE2-CD 3.64Å; Y185-K225 WeakPolarHBondContact OH-CB 3.42Å; S205-K225 CarbonylContact C-O 3.6Å; S205-K225 VanDerWaalsContact CA-O 3.27Å; S205-K225 WeakPolarHBondContact CA-O 3.26Å; V206-K225 HydrophobicContact CG2-CB 4.28Å; V206-K225 PolarHBondContact N-O 3.21Å; V206-K225 PolarHBondContact O-N 2.92Å; V208-K225 HydrophobicContact CG2-CB 4.16Å; V208-K225 HydrophobicContact CG2-CD 4.37Å; V208-K225 HydrophobicContact CG2-CG 3.94Å; V223-K225 PolarHBondContact O-N 3.13Å |
| 226 | E | 91.9 | Very high | 78.8 | Confident | 94 Ų | 94 | 57.2 Ų | 57.2 | 44% | 0.439 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 117.7 | 170.9 | -179.2 | 170.4 | 114.5 | 0 | 0 | 109.3 | Y185 S205 T228 S229 | Y185-E226 VanDerWaalsContact CE1-O 3.29Å; Y185-E226 WeakPolarHBondContact CE1-O 3.43Å; Y185-E226 PolarHBondContact OH-O 3.3Å; S205-E226 WeakPolarHBondContact OG-CA 3.44Å; E226-T228 WeakPolarHBondContact CG-O 3.47Å; E226-S229 WeakPolarHBondContact OE1-CB 3.3Å; E226-S229 PolarHBondContact OE1-OG 3.16Å |
| 227 | L | 91.8 | Very high | 77.7 | Confident | 8 Ų | 8 | 61.3 Ų | 61.3 | 4% | 0.042 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | -38 | -179.4 | -51.5 | 180 | 0 | 0 | 0 | 111.1 | F87 L90 V181 V184 Y185 V204 V206 | F87-L227 HydrophobicContact CD2-CD1 3.47Å; F87-L227 VanDerWaalsContact CD2-CD1 3.47Å; F87-L227 HydrophobicContact CE2-CD1 3.33Å; F87-L227 HydrophobicContact CZ-CD1 4.41Å; L90-L227 HydrophobicContact CD2-CB 4.01Å; L90-L227 HydrophobicContact CD2-CD1 4.03Å; V181-L227 HydrophobicContact CG1-CD2 4.07Å; V184-L227 HydrophobicContact CG1-CD1 4.07Å; Y185-L227 HydrophobicContact CD2-CD2 4.05Å; Y185-L227 HydrophobicContact CE1-CD2 4.12Å; Y185-L227 HydrophobicContact CE2-CD2 3.56Å; V204-L227 HydrophobicContact CG1-CD1 4.28Å; V204-L227 WeakPolarHBondContact O-CA 3.15Å; V204-L227 WeakPolarHBondContact O-CB 3.32Å; V204-L227 PolarHBondContact O-N 2.88Å; V206-L227 HydrophobicContact CG1-CD1 3.84Å; V206-L227 HydrophobicContact CG2-CD1 3.96Å; V206-L227 HydrophobicContact CG2-CD2 4.01Å; V206-L227 HydrophobicContact CG2-CG 4.07Å |
| 228 | T | 89.8 | Confident | 76.4 | Confident | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.006 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 142.2 | 176.3 | 63.1 | 0 | 0 | 0 | 0 | 111.2 | L90 V188 L200 P201 H203 V204 E226 M234 | L90-T228 HydrophobicContact CD1-CG2 3.94Å; L90-T228 HydrophobicContact CD2-CG2 4Å; V188-T228 HydrophobicContact CG1-CG2 4.31Å; V188-T228 HydrophobicContact CG2-CG2 4.22Å; L200-T228 HydrophobicContact CB-CG2 4.47Å; P201-T228 VanDerWaalsContact O-CB 3.31Å; P201-T228 WeakPolarHBondContact O-CB 3.46Å; P201-T228 PolarHBondContact O-OG1 3.44Å; H203-T228 WeakPolarHBondContact CA-O 3.3Å; H203-T228 PolarHBondContact N-O 2.71Å; V204-T228 VanDerWaalsContact CB-OG1 3.28Å; V204-T228 WeakPolarHBondContact CB-OG1 3.3Å; V204-T228 WeakPolarHBondContact CG2-OG1 3.32Å; V204-T228 PolarHBondContact N-O 3.16Å; V204-T228 PolarHBondContact N-OG1 3.49Å; V204-T228 PolarHBondContact O-N 3.47Å; E226-T228 WeakPolarHBondContact CG-O 3.47Å; T228-M234 HydrophobicContact CG2-CE 4.42Å; T228-M234 HydrophobicContact CG2-SD 4.18Å |
| 229 | S | 83.8 | Confident | 74.8 | Confident | 13 Ų | 13 | 62.1 Ų | 62.1 | 9% | 0.091 | 32% | 0.32 | C | S | . | . | trans | -105.5 | -143.8 | 175.8 | -142 | 0 | 0 | 0 | 0 | 109.6 | E202 H203 E226 M234 | E202-S229 WeakPolarHBondContact CA-O 3.16Å; E202-S229 WeakPolarHBondContact CB-O 3.41Å; H203-S229 PolarHBondContact N-O 3.33Å; H203-S229 VanDerWaalsContact N-O 3.13Å; E226-S229 WeakPolarHBondContact OE1-CB 3.3Å; E226-S229 PolarHBondContact OE1-OG 3.16Å; S229-M234 PolarHBondContact N-SD 2.88Å; S229-M234 VanDerWaalsContact N-SD 3.41Å | ||
| 230 | T | 74.8 | Confident | 73.6 | Confident | 37 Ų | 37 | 64.9 Ų | 64.9 | 23% | 0.227 | 33% | 0.327 | C | S | . | . | trans | -75.3 | 154.9 | 158 | 66.3 | 0 | 0 | 0 | 0 | 111.1 | H203 E232 M233 M234 | H203-T230 WeakPolarHBondContact NE2-CG2 3.43Å; T230-E232 VanDerWaalsContact C-N 3.26Å; T230-E232 PolarHBondContact O-N 3.35Å; T230-M233 PolarHBondContact O-N 2.86Å; T230-M233 WeakPolarHBondContact OG1-CB 3.46Å; T230-M233 VanDerWaalsContact OG1-CG 3.28Å; T230-M233 WeakPolarHBondContact OG1-CG 3.24Å; T230-M233 PolarHBondContact OG1-N 3.03Å; T230-M233 VanDerWaalsContact OG1-N 3.16Å; T230-M234 WeakPolarHBondContact O-CE 3.12Å; T230-M234 WeakPolarHBondContact O-CG 3.33Å; T230-M234 PolarHBondContact O-N 2.72Å | ||
| 231 | T | 67.4 | Low | 72.5 | Confident | 22 Ų | 22 | 62.9 Ų | 62.9 | 14% | 0.135 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -57.1 | -41.4 | 175.8 | -51.8 | 0 | 0 | 0 | 0 | 110.8 | E202 M234 M235 | E202-T231 WeakPolarHBondContact OE1-CB 3.33Å; E202-T231 PolarHBondContact OE1-N 3.32Å; E202-T231 PolarHBondContact OE1-OG1 2.85Å; T231-M234 PolarHBondContact O-N 3.23Å; T231-M235 HydrophobicContact CG2-CE 4.09Å; T231-M235 HydrophobicContact CG2-CG 4.44Å; T231-M235 HydrophobicContact CG2-SD 4.31Å; T231-M235 WeakPolarHBondContact O-CB 3.27Å; T231-M235 WeakPolarHBondContact O-CG 3.42Å; T231-M235 PolarHBondContact O-N 3.2Å |
| 232 | E | 61.4 | Low | 71.4 | Confident | 85 Ų | 85 | 64.1 Ų | 64.1 | 40% | 0.397 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -68 | -35.6 | 178.7 | -57.2 | -156 | 149.2 | 0 | 0 | 113.3 | T230 G236 N346 | T230-E232 VanDerWaalsContact C-N 3.26Å; T230-E232 PolarHBondContact O-N 3.35Å; E232-G236 WeakPolarHBondContact O-CA 3.34Å; E232-G236 PolarHBondContact O-N 2.89Å; E232-N346 PolarHBondContact OE1-ND2 2.97Å |
| 233 | M | 61.8 | Low | 70.5 | Confident | 124 Ų | 124 | 59.6 Ų | 59.6 | 61% | 0.611 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -73.5 | -28.9 | 175.6 | -73.4 | 174 | 63.6 | 0 | 0 | 112.7 | T230 | T230-M233 PolarHBondContact O-N 2.86Å; T230-M233 WeakPolarHBondContact OG1-CB 3.46Å; T230-M233 VanDerWaalsContact OG1-CG 3.28Å; T230-M233 WeakPolarHBondContact OG1-CG 3.24Å; T230-M233 PolarHBondContact OG1-N 3.03Å; T230-M233 VanDerWaalsContact OG1-N 3.16Å |
| 234 | M | 65.4 | Low | 69.6 | Low | 8 Ų | 8 | 57.1 Ų | 57.1 | 4% | 0.039 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -76.9 | -41.5 | 174 | -67.8 | -175.5 | -75.1 | 0 | 0 | 111.9 | V188 M192 T228 S229 T230 T231 G236 | V188-M234 HydrophobicContact CG1-SD 4.49Å; M192-M234 HydrophobicContact CE-CB 3.9Å; M192-M234 HydrophobicContact CE-CE 3.55Å; M192-M234 HydrophobicContact CE-SD 3.92Å; M192-M234 HydrophobicContact CG-CB 4.27Å; M192-M234 HydrophobicContact SD-CB 3.7Å; T228-M234 HydrophobicContact CG2-CE 4.42Å; T228-M234 HydrophobicContact CG2-SD 4.18Å; S229-M234 PolarHBondContact N-SD 2.88Å; S229-M234 VanDerWaalsContact N-SD 3.41Å; T230-M234 WeakPolarHBondContact O-CE 3.12Å; T230-M234 WeakPolarHBondContact O-CG 3.33Å; T230-M234 PolarHBondContact O-N 2.72Å; T231-M234 PolarHBondContact O-N 3.23Å; M234-G236 VanDerWaalsContact C-N 3.33Å |
| 235 | M | 60 | Low | 68.7 | Low | 32 Ų | 32 | 56.4 Ų | 56.4 | 16% | 0.158 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -71.3 | -25.3 | 173.1 | -65.7 | -166.4 | -52.8 | 0 | 0 | 113.2 | M192 L195 T231 R237 F238 | M192-M235 HydrophobicContact SD-CG 4.23Å; L195-M235 HydrophobicContact CD2-SD 4.23Å; T231-M235 HydrophobicContact CG2-CE 4.09Å; T231-M235 HydrophobicContact CG2-CG 4.44Å; T231-M235 HydrophobicContact CG2-SD 4.31Å; T231-M235 WeakPolarHBondContact O-CB 3.27Å; T231-M235 WeakPolarHBondContact O-CG 3.42Å; T231-M235 PolarHBondContact O-N 3.2Å; M235-R237 PolarHBondContact O-N 3.41Å; M235-F238 HydrophobicContact CB-CD2 4.43Å; M235-F238 WeakPolarHBondContact O-CD2 2.87Å; M235-F238 PolarHBondContact O-N 3.42Å; M235-F238 VanDerWaalsContact O-N 3.08Å |
| 236 | G | 52.3 | Low | 67.7 | Low | 23 Ų | 23 | 56 Ų | 56 | 24% | 0.237 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | 7.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | E232 M234 | E232-G236 WeakPolarHBondContact O-CA 3.34Å; E232-G236 PolarHBondContact O-N 2.89Å; M234-G236 VanDerWaalsContact C-N 3.33Å |
| 237 | R | 53.5 | Low | 66.6 | Low | 118 Ų | 118 | 53.7 Ų | 53.7 | 45% | 0.445 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -22.8 | 169.4 | -60.9 | -175.3 | -172 | -118.5 | 6 | 113.2 | G165 M235 | G165-R237 PolarHBondContact O-NH1 3.17Å; M235-R237 PolarHBondContact O-N 3.41Å |
| 238 | F | 51.7 | Low | 65.6 | Low | 41 Ų | 41 | 57.3 Ų | 57.3 | 18% | 0.18 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -69.9 | 157.3 | 165.8 | -51.3 | -60.4 | 0 | 0 | 0 | 109.1 | W166 M192 H193 L195 M235 R240 | W166-F238 HydrophobicContact CZ2-CZ 4.04Å; M192-F238 WeakPolarHBondContact O-CE2 3.1Å; M192-F238 WeakPolarHBondContact O-CZ 3.49Å; H193-F238 HydrophobicContact CB-CE1 4.46Å; H193-F238 AromaticContact ND1-CE1 3.95Å; L195-F238 HydrophobicContact CD2-CE2 4.22Å; M235-F238 HydrophobicContact CB-CD2 4.43Å; M235-F238 WeakPolarHBondContact O-CD2 2.87Å; M235-F238 PolarHBondContact O-N 3.42Å; M235-F238 VanDerWaalsContact O-N 3.08Å; F238-R240 PolarHBondContact O-N 3.16Å |
| 239 | E | 50.8 | Low | 64.8 | Low | 160 Ų | 160 | 64.1 Ų | 64.1 | 75% | 0.748 | 33% | 0.327 | S | S | * | . | trans | -43 | 109.6 | -175.8 | -68.7 | -177 | 128.2 | 0 | 0 | 112 | D241 | E239-D241 PolarHBondContact O-N 3.15Š| ||
| 240 | R | 57.1 | Low | 64.4 | Low | 150 Ų | 150 | 64.3 Ų | 64.3 | 57% | 0.566 | 33% | 0.329 | S | S | * | . | trans | -57.3 | 111.7 | 174.8 | -81.3 | -178.8 | 168.5 | -120.5 | -1.7 | 108.3 | F238 D244 D248 | F238-R240 PolarHBondContact O-N 3.16Å; R240-D244 VanDerWaalsContact CA-OD2 3.29Å; R240-D244 WeakPolarHBondContact CA-OD2 3.43Å; R240-D244 HydrophobicContact CB-CB 4.24Å; R240-D244 HydrophobicContact CG-CB 4.34Å; R240-D248 IonicContact CZ-OD2 2.75Å; R240-D248 IonicContact NH1-OD2 3.13Å; R240-D248 PolarHBondContact NH1-OD2 2.93Å; R240-D248 IonicContact NH2-OD2 2.69Å | ||
| 241 | D | 62 | Low | 64.4 | Low | 42 Ų | 42 | 66.2 Ų | 66.2 | 23% | 0.225 | 34% | 0.342 | C | S | . | . | trans | -83.5 | 176.4 | -177.8 | 66.4 | 20.7 | 0 | 0 | 0 | 111.2 | E239 F243 D244 T245 R352 | E239-D241 PolarHBondContact O-N 3.15Å; D241-F243 PolarHBondContact O-N 2.91Å; D241-F243 VanDerWaalsContact O-N 3.12Å; D241-F243 VanDerWaalsContact OD1-CA 3.22Å; D241-F243 WeakPolarHBondContact OD1-CA 3.02Å; D241-F243 WeakPolarHBondContact OD1-CB 3.22Å; D241-F243 PolarHBondContact OD1-N 3.41Å; D241-D244 PolarHBondContact N-OD2 2.86Å; D241-D244 PolarHBondContact O-N 3.04Å; D241-D244 PolarHBondContact OD1-N 3.5Å; D241-T245 PolarHBondContact O-N 3.39Å; D241-T245 PolarHBondContact O-OG1 2.99Å; D241-R352 IonicContact OD1-CZ 2.72Å; D241-R352 IonicContact OD1-NE 3.47Å; D241-R352 IonicContact OD1-NH2 3.55Å; D241-R352 PolarHBondContact OD1-NH2 3.3Å; D241-R352 IonicContact OD2-CZ 2.68Å; D241-R352 IonicContact OD2-NE 2.68Å; D241-R352 PolarHBondContact OD2-NE 3.05Å; D241-R352 IonicContact OD2-NH2 3.49Å; D241-R352 PolarHBondContact OD2-NH2 2.88Å | ||
| 242 | A | 63.8 | Low | 64.9 | Low | 85 Ų | 85 | 71.3 Ų | 71.3 | 70% | 0.702 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -60.4 | -19.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L246 | A242-L246 WeakPolarHBondContact O-CB 3.21Å; A242-L246 PolarHBondContact O-N 3.44Å; A242-L246 VanDerWaalsContact O-N 3.08Å |
| 243 | F | 68.3 | Low | 65.8 | Low | 12 Ų | 12 | 73.8 Ų | 73.8 | 5% | 0.053 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -78.8 | -41.7 | 178.1 | -130.8 | -82.8 | 0 | 0 | 0 | 111.9 | D241 T245 L246 L247 L254 V257 L351 R352 Y355 | D241-F243 PolarHBondContact O-N 2.91Å; D241-F243 VanDerWaalsContact O-N 3.12Å; D241-F243 VanDerWaalsContact OD1-CA 3.22Å; D241-F243 WeakPolarHBondContact OD1-CA 3.02Å; D241-F243 WeakPolarHBondContact OD1-CB 3.22Å; D241-F243 PolarHBondContact OD1-N 3.41Å; F243-T245 VanDerWaalsContact C-N 3.34Å; F243-T245 PolarHBondContact O-N 3.24Å; F243-L246 PolarHBondContact O-N 3.34Å; F243-L247 HydrophobicContact CD1-CD1 3.9Å; F243-L247 HydrophobicContact CD1-CG 4.38Å; F243-L247 HydrophobicContact CE1-CD1 4.44Å; F243-L247 WeakPolarHBondContact O-CB 3.4Å; F243-L247 WeakPolarHBondContact O-CD1 3.18Å; F243-L247 WeakPolarHBondContact O-CG 3.22Å; F243-L247 PolarHBondContact O-N 2.88Å; F243-L254 HydrophobicContact CE1-CD1 3.99Å; F243-L254 HydrophobicContact CZ-CD1 4.47Å; F243-V257 HydrophobicContact CE2-CG1 4.1Å; F243-V257 HydrophobicContact CZ-CG1 3.91Å; F243-L351 HydrophobicContact CE1-CB 3.58Å; F243-L351 HydrophobicContact CE1-CD1 3.82Å; F243-L351 HydrophobicContact CE1-CG 4.35Å; F243-L351 HydrophobicContact CZ-CB 3.55Å; F243-L351 HydrophobicContact CZ-CD1 4.13Å; F243-L351 HydrophobicContact CZ-CG 4.38Å; F243-R352 HydrophobicContact CB-CG 4.41Å; F243-R352 HydrophobicContact CG-CG 4.35Å; F243-Y355 HydrophobicContact CD2-CG 4.47Å; F243-Y355 HydrophobicContact CE2-CD2 4.25Å; F243-Y355 HydrophobicContact CE2-CG 4.01Å |
| 244 | D | 70.5 | Confident | 66.8 | Low | 10 Ų | 10 | 68.8 Ų | 68.8 | 5% | 0.053 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -55.6 | -50.9 | 169.3 | -66 | -58.3 | 0 | 0 | 0 | 110.6 | R240 D241 L246 L247 D248 K348 R352 | R240-D244 VanDerWaalsContact CA-OD2 3.29Å; R240-D244 WeakPolarHBondContact CA-OD2 3.43Å; R240-D244 HydrophobicContact CB-CB 4.24Å; R240-D244 HydrophobicContact CG-CB 4.34Å; D241-D244 PolarHBondContact N-OD2 2.86Å; D241-D244 PolarHBondContact O-N 3.04Å; D241-D244 PolarHBondContact OD1-N 3.5Å; D244-L246 VanDerWaalsContact C-N 3.31Å; D244-L246 PolarHBondContact O-N 3.47Å; D244-L247 PolarHBondContact O-N 3.4Å; D244-D248 WeakPolarHBondContact O-CB 3.39Å; D244-D248 PolarHBondContact O-N 3.39Å; D244-K348 WeakPolarHBondContact OD1-CE 3.49Å; D244-K348 IonicContact OD1-NZ 3.49Å; D244-K348 PolarHBondContact OD1-NZ 3.02Å; D244-R352 IonicContact OD1-CZ 2.73Å; D244-R352 IonicContact OD1-NH2 2.67Å; D244-R352 PolarHBondContact OD1-NH2 3.31Å; D244-R352 IonicContact OD2-CZ 2.68Å; D244-R352 IonicContact OD2-NH2 2.69Å; D244-R352 PolarHBondContact OD2-NH2 3.31Å |
| 245 | T | 72.6 | Confident | 67.7 | Low | 74 Ų | 74 | 72.3 Ų | 72.3 | 45% | 0.454 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.4 | -37.7 | -177.5 | -53.7 | 0 | 0 | 0 | 0 | 112.1 | D241 F243 H249 | D241-T245 PolarHBondContact O-N 3.39Å; D241-T245 PolarHBondContact O-OG1 2.99Å; F243-T245 VanDerWaalsContact C-N 3.34Å; F243-T245 PolarHBondContact O-N 3.24Å; T245-H249 WeakPolarHBondContact O-CB 3.47Å; T245-H249 PolarHBondContact O-N 3.08Å; T245-H249 VanDerWaalsContact O-N 3.11Å; T245-H249 PolarHBondContact O-ND1 2.76Å |
| 246 | L | 70.9 | Confident | 69 | Low | 36 Ų | 36 | 75.6 Ų | 75.6 | 19% | 0.188 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -72.4 | -35.7 | 179.3 | -176.4 | 153.1 | 0 | 0 | 0 | 112.3 | A242 F243 D244 A250 K253 L254 V257 | A242-L246 WeakPolarHBondContact O-CB 3.21Å; A242-L246 PolarHBondContact O-N 3.44Å; A242-L246 VanDerWaalsContact O-N 3.08Å; F243-L246 PolarHBondContact O-N 3.34Å; D244-L246 VanDerWaalsContact C-N 3.31Å; D244-L246 PolarHBondContact O-N 3.47Å; L246-A250 CarbonylContact O-C 3.58Å; L246-A250 WeakPolarHBondContact O-CA 3.46Å; L246-A250 PolarHBondContact O-N 2.98Å; L246-K253 HydrophobicContact CD1-CB 4.18Å; L246-K253 HydrophobicContact CG-CB 4.18Å; L246-L254 HydrophobicContact CD2-CB 3.84Å; L246-L254 HydrophobicContact CD2-CD1 3.76Å; L246-L254 HydrophobicContact CD2-CG 4.44Å; L246-V257 HydrophobicContact CD1-CG2 4.09Å |
| 247 | L | 69.6 | Low | 70.6 | Confident | 47 Ų | 47 | 75.7 Ų | 75.7 | 25% | 0.246 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -66.3 | -51.7 | 171.9 | -80.7 | 160.6 | 0 | 0 | 0 | 111.6 | F243 D244 H249 L254 K348 | F243-L247 HydrophobicContact CD1-CD1 3.9Å; F243-L247 HydrophobicContact CD1-CG 4.38Å; F243-L247 HydrophobicContact CE1-CD1 4.44Å; F243-L247 WeakPolarHBondContact O-CB 3.4Å; F243-L247 WeakPolarHBondContact O-CD1 3.18Å; F243-L247 WeakPolarHBondContact O-CG 3.22Å; F243-L247 PolarHBondContact O-N 2.88Å; D244-L247 PolarHBondContact O-N 3.4Å; L247-H249 PolarHBondContact O-N 2.94Å; L247-L254 HydrophobicContact CD2-CD1 3.65Å; L247-L254 HydrophobicContact CD2-CD2 3.62Å; L247-L254 HydrophobicContact CD2-CG 4.25Å; L247-L254 HydrophobicContact CG-CD1 4.1Å; L247-K348 HydrophobicContact CD1-CB 4.09Å; L247-K348 HydrophobicContact CD1-CD 3.59Å; L247-K348 HydrophobicContact CD1-CG 3.53Å |
| 248 | D | 70 | Confident | 72.4 | Confident | 83 Ų | 83 | 72 Ų | 72 | 44% | 0.444 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.5 | -35.6 | -175.5 | -72.8 | 7.6 | 0 | 0 | 0 | 112.7 | R240 D244 | R240-D248 IonicContact CZ-OD2 2.75Å; R240-D248 IonicContact NH1-OD2 3.13Å; R240-D248 PolarHBondContact NH1-OD2 2.93Å; R240-D248 IonicContact NH2-OD2 2.69Å; D244-D248 WeakPolarHBondContact O-CB 3.39Å; D244-D248 PolarHBondContact O-N 3.39Å |
| 249 | H | 73.2 | Confident | 74.3 | Confident | 145 Ų | 145 | 77.4 Ų | 77.4 | 67% | 0.671 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -126.1 | -2.2 | -167.1 | -56.7 | 85.1 | 0 | 0 | 0 | 115.6 | T245 L247 | T245-H249 WeakPolarHBondContact O-CB 3.47Å; T245-H249 PolarHBondContact O-N 3.08Å; T245-H249 VanDerWaalsContact O-N 3.11Å; T245-H249 PolarHBondContact O-ND1 2.76Å; L247-H249 PolarHBondContact O-N 2.94Å |
| 250 | A | 75.8 | Confident | 76.3 | Confident | 16 Ų | 16 | 72.1 Ų | 72.1 | 13% | 0.132 | 38% | 0.382 | C | S | . | . | trans | -148.9 | 59.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | L246 D252 K253 L254 | L246-A250 CarbonylContact O-C 3.58Å; L246-A250 WeakPolarHBondContact O-CA 3.46Å; L246-A250 PolarHBondContact O-N 2.98Å; A250-D252 PolarHBondContact O-N 2.82Å; A250-D252 VanDerWaalsContact O-N 3.16Å; A250-K253 HydrophobicContact CB-CB 4.01Å; A250-K253 HydrophobicContact CB-CD 3.8Å; A250-K253 HydrophobicContact CB-CG 3.96Å; A250-K253 WeakPolarHBondContact O-CA 3.25Å; A250-K253 WeakPolarHBondContact O-CB 3.45Å; A250-K253 PolarHBondContact O-N 3.27Å; A250-L254 PolarHBondContact O-N 2.9Å; A250-L254 VanDerWaalsContact O-N 3.15Å | ||
| 251 | P | 74.4 | Confident | 78.1 | Confident | 77 Ų | 77 | 65 Ų | 65 | 50% | 0.5 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -57 | -32.3 | -179.2 | 23.8 | -34.7 | 0 | 0 | 0 | 113.9 | K253 L254 N255 | P251-K253 VanDerWaalsContact C-N 3.31Å; P251-K253 PolarHBondContact O-N 3.06Å; P251-L254 VanDerWaalsContact O-CB 3.3Å; P251-L254 WeakPolarHBondContact O-CB 3.5Å; P251-L254 PolarHBondContact O-N 3.38Å; P251-N255 PolarHBondContact O-N 3.18Å; P251-N255 PolarHBondContact O-ND2 3.49Å |
| 252 | D | 78.5 | Confident | 79.7 | Confident | 129 Ų | 129 | 64.6 Ų | 64.6 | 69% | 0.69 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -63.8 | -36.4 | 174.5 | -58.8 | -54.7 | 0 | 0 | 0 | 112.3 | A250 N255 V256 | A250-D252 PolarHBondContact O-N 2.82Å; A250-D252 VanDerWaalsContact O-N 3.16Å; D252-N255 PolarHBondContact O-N 2.97Å; D252-V256 PolarHBondContact O-N 2.9Å |
| 253 | K | 79 | Confident | 81.2 | Confident | 138 Ų | 138 | 65.5 Ų | 65.5 | 60% | 0.6 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -71.5 | -32.6 | 174.9 | -61.2 | -175.9 | -171.5 | 171.6 | 0 | 111.3 | L246 A250 P251 N255 V256 V257 | L246-K253 HydrophobicContact CD1-CB 4.18Å; L246-K253 HydrophobicContact CG-CB 4.18Å; A250-K253 HydrophobicContact CB-CB 4.01Å; A250-K253 HydrophobicContact CB-CD 3.8Å; A250-K253 HydrophobicContact CB-CG 3.96Å; A250-K253 WeakPolarHBondContact O-CA 3.25Å; A250-K253 WeakPolarHBondContact O-CB 3.45Å; A250-K253 PolarHBondContact O-N 3.27Å; P251-K253 VanDerWaalsContact C-N 3.31Å; P251-K253 PolarHBondContact O-N 3.06Å; K253-N255 VanDerWaalsContact C-N 3.29Å; K253-N255 PolarHBondContact O-N 3.2Å; K253-V256 PolarHBondContact O-N 2.82Å; K253-V256 VanDerWaalsContact O-N 3.14Å; K253-V257 WeakPolarHBondContact O-CG2 3.35Å; K253-V257 PolarHBondContact O-N 2.88Å |
| 254 | L | 82.8 | Confident | 82.5 | Confident | 18 Ų | 18 | 65.4 Ų | 65.4 | 9% | 0.094 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -58.2 | -43.4 | 173.4 | -171.2 | 75.5 | 0 | 0 | 0 | 111.1 | F243 L246 L247 A250 P251 V256 V257 K258 L351 | F243-L254 HydrophobicContact CE1-CD1 3.99Å; F243-L254 HydrophobicContact CZ-CD1 4.47Å; L246-L254 HydrophobicContact CD2-CB 3.84Å; L246-L254 HydrophobicContact CD2-CD1 3.76Å; L246-L254 HydrophobicContact CD2-CG 4.44Å; L247-L254 HydrophobicContact CD2-CD1 3.65Å; L247-L254 HydrophobicContact CD2-CD2 3.62Å; L247-L254 HydrophobicContact CD2-CG 4.25Å; L247-L254 HydrophobicContact CG-CD1 4.1Å; A250-L254 PolarHBondContact O-N 2.9Å; A250-L254 VanDerWaalsContact O-N 3.15Å; P251-L254 VanDerWaalsContact O-CB 3.3Å; P251-L254 WeakPolarHBondContact O-CB 3.5Å; P251-L254 PolarHBondContact O-N 3.38Å; L254-V256 VanDerWaalsContact C-N 3.29Å; L254-V256 PolarHBondContact O-N 3.5Å; L254-V257 PolarHBondContact O-N 2.82Å; L254-K258 WeakPolarHBondContact O-CG 3.17Å; L254-K258 PolarHBondContact O-N 3.26Å; L254-L351 HydrophobicContact CD1-CD1 3.92Å |
| 255 | N | 85 | Confident | 83.8 | Confident | 83 Ų | 83 | 65 Ų | 65 | 44% | 0.444 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.4 | -30.9 | 177.6 | -69.7 | -37.3 | 0 | 0 | 0 | 112.9 | P251 D252 K253 K259 | P251-N255 PolarHBondContact O-N 3.18Å; P251-N255 PolarHBondContact O-ND2 3.49Å; D252-N255 PolarHBondContact O-N 2.97Å; K253-N255 VanDerWaalsContact C-N 3.29Å; K253-N255 PolarHBondContact O-N 3.2Å; N255-K259 WeakPolarHBondContact O-CG 3.2Å; N255-K259 PolarHBondContact O-N 3Å |
| 256 | V | 87.1 | Confident | 84.9 | Confident | 100 Ų | 100 | 62.2 Ų | 62.2 | 61% | 0.606 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -70.8 | -43.6 | 171.1 | 179.1 | 0 | 0 | 0 | 0 | 111.2 | D252 K253 L254 K259 S260 | D252-V256 PolarHBondContact O-N 2.9Å; K253-V256 PolarHBondContact O-N 2.82Å; K253-V256 VanDerWaalsContact O-N 3.14Å; L254-V256 VanDerWaalsContact C-N 3.29Å; L254-V256 PolarHBondContact O-N 3.5Å; V256-K259 PolarHBondContact O-N 3.29Å; V256-S260 PolarHBondContact O-N 2.6Å |
| 257 | V | 87.1 | Confident | 86.1 | Confident | 26 Ų | 26 | 65 Ų | 65 | 16% | 0.158 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.4 | -47.5 | 176.2 | 172.8 | 0 | 0 | 0 | 0 | 110.9 | F243 L246 K253 L254 K259 S260 L261 Y355 | F243-V257 HydrophobicContact CE2-CG1 4.1Å; F243-V257 HydrophobicContact CZ-CG1 3.91Å; L246-V257 HydrophobicContact CD1-CG2 4.09Å; K253-V257 WeakPolarHBondContact O-CG2 3.35Å; K253-V257 PolarHBondContact O-N 2.88Å; L254-V257 PolarHBondContact O-N 2.82Å; V257-K259 PolarHBondContact O-N 3.12Å; V257-S260 WeakPolarHBondContact O-CB 3.27Å; V257-S260 PolarHBondContact O-N 2.89Å; V257-S260 VanDerWaalsContact O-N 3.15Å; V257-L261 HydrophobicContact CG1-CD1 3.9Å; V257-L261 HydrophobicContact CG1-CG 4.29Å; V257-L261 WeakPolarHBondContact O-CG 3.38Å; V257-L261 PolarHBondContact O-N 2.86Å; V257-Y355 HydrophobicContact CG1-CD2 4.4Å |
| 258 | K | 90.6 | Very high | 87.3 | Confident | 39 Ų | 39 | 62.8 Ų | 62.8 | 17% | 0.17 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -53.6 | -50.1 | 174.7 | -73.4 | -175.8 | -177 | -171.9 | 0 | 111.6 | L254 S260 L261 V262 L279 E280 L351 | L254-K258 WeakPolarHBondContact O-CG 3.17Å; L254-K258 PolarHBondContact O-N 3.26Å; K258-S260 VanDerWaalsContact C-N 3.35Å; K258-S260 PolarHBondContact O-N 2.73Å; K258-L261 PolarHBondContact O-N 3.1Å; K258-V262 WeakPolarHBondContact O-CG2 3.32Å; K258-V262 PolarHBondContact O-N 3.01Å; K258-L279 HydrophobicContact CB-CD1 4.22Å; K258-L279 HydrophobicContact CG-CD1 4.36Å; K258-E280 VanDerWaalsContact CE-OE1 3.3Å; K258-E280 WeakPolarHBondContact CE-OE1 3.44Å; K258-E280 IonicContact NZ-OE1 3.7Å; K258-E280 PolarHBondContact NZ-OE1 3.36Å; K258-L351 HydrophobicContact CG-CD1 4.41Å; K258-L351 HydrophobicContact CG-CD2 4.14Å |
| 259 | K | 91.9 | Very high | 88.5 | Confident | 155 Ų | 155 | 58.9 Ų | 58.9 | 67% | 0.674 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -60.2 | -42.4 | 177.5 | -75 | 178.4 | 178.2 | -176.3 | 0 | 112.4 | N255 V256 V257 L261 V262 T263 | N255-K259 WeakPolarHBondContact O-CG 3.2Å; N255-K259 PolarHBondContact O-N 3Å; V256-K259 PolarHBondContact O-N 3.29Å; V257-K259 PolarHBondContact O-N 3.12Å; K259-L261 VanDerWaalsContact C-N 3.32Å; K259-L261 PolarHBondContact O-N 3.17Å; K259-V262 PolarHBondContact O-N 3.18Å; K259-T263 PolarHBondContact O-N 2.92Å; K259-T263 PolarHBondContact O-OG1 3.09Å; K259-T263 VanDerWaalsContact O-OG1 3.06Å |
| 260 | S | 92.4 | Very high | 89.6 | Confident | 50 Ų | 50 | 55.8 Ų | 55.8 | 35% | 0.35 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.7 | -38.1 | 175.8 | -167.5 | 0 | 0 | 0 | 0 | 112.5 | V256 V257 K258 F264 | V256-S260 PolarHBondContact O-N 2.6Å; V257-S260 WeakPolarHBondContact O-CB 3.27Å; V257-S260 PolarHBondContact O-N 2.89Å; V257-S260 VanDerWaalsContact O-N 3.15Å; K258-S260 VanDerWaalsContact C-N 3.35Å; K258-S260 PolarHBondContact O-N 2.73Å; S260-F264 WeakPolarHBondContact O-CB 3.48Å; S260-F264 PolarHBondContact O-N 2.91Å |
| 261 | L | 94.4 | Very high | 90.4 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -72.5 | -41.3 | 177.4 | -67.6 | 176.3 | 0 | 0 | 0 | 112 | V257 K258 K259 T263 F264 V265 L279 L351 L354 Y355 F358 | V257-L261 HydrophobicContact CG1-CD1 3.9Å; V257-L261 HydrophobicContact CG1-CG 4.29Å; V257-L261 WeakPolarHBondContact O-CG 3.38Å; V257-L261 PolarHBondContact O-N 2.86Å; K258-L261 PolarHBondContact O-N 3.1Å; K259-L261 VanDerWaalsContact C-N 3.32Å; K259-L261 PolarHBondContact O-N 3.17Å; L261-T263 PolarHBondContact O-N 2.67Å; L261-F264 PolarHBondContact O-N 3.3Å; L261-V265 WeakPolarHBondContact O-CG1 3.33Å; L261-V265 WeakPolarHBondContact O-CG2 3.46Å; L261-V265 PolarHBondContact O-N 3.09Å; L261-L279 HydrophobicContact CB-CD1 3.79Å; L261-L279 HydrophobicContact CD1-CD1 4.45Å; L261-L351 HydrophobicContact CD1-CD2 3.69Å; L261-L354 HydrophobicContact CD1-CB 4.19Å; L261-L354 HydrophobicContact CD2-CB 4.33Å; L261-Y355 HydrophobicContact CD2-CD2 4.47Å; L261-F358 HydrophobicContact CD2-CB 3.55Å; L261-F358 HydrophobicContact CD2-CD1 4.41Å; L261-F358 HydrophobicContact CD2-CG 3.96Å |
| 262 | V | 95.8 | Very high | 91.3 | Very high | 32 Ų | 32 | 60.1 Ų | 60.1 | 19% | 0.194 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -57.2 | -48.9 | 171.6 | 169.6 | 0 | 0 | 0 | 0 | 110.8 | K258 K259 F264 V265 N266 V276 L279 | K258-V262 WeakPolarHBondContact O-CG2 3.32Å; K258-V262 PolarHBondContact O-N 3.01Å; K259-V262 PolarHBondContact O-N 3.18Å; V262-F264 VanDerWaalsContact C-N 3.31Å; V262-F264 PolarHBondContact O-N 3.25Å; V262-V265 PolarHBondContact O-N 2.88Å; V262-N266 WeakPolarHBondContact O-CB 3.35Å; V262-N266 PolarHBondContact O-N 2.82Å; V262-V276 WeakPolarHBondContact CG1-O 3.39Å; V262-L279 HydrophobicContact CG2-CD1 4.02Å; V262-L279 HydrophobicContact CG2-CD2 3.71Å; V262-L279 HydrophobicContact CG2-CG 3.73Å |
| 263 | T | 95.3 | Very high | 92.1 | Very high | 104 Ų | 104 | 61.4 Ų | 61.4 | 64% | 0.638 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -59.9 | -39.9 | 176.3 | -58.4 | 0 | 0 | 0 | 0 | 112.3 | K259 L261 K267 | K259-T263 PolarHBondContact O-N 2.92Å; K259-T263 PolarHBondContact O-OG1 3.09Å; K259-T263 VanDerWaalsContact O-OG1 3.06Å; L261-T263 PolarHBondContact O-N 2.67Å; T263-K267 PolarHBondContact O-N 2.98Å; T263-K267 VanDerWaalsContact O-N 3.17Å |
| 264 | F | 95.8 | Very high | 92.8 | Very high | 11 Ų | 11 | 56.8 Ų | 56.8 | 5% | 0.048 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.1 | -55.3 | 176 | 167.4 | -110.9 | 0 | 0 | 0 | 112.1 | S260 L261 V262 N266 K267 H268 L296 L357 F358 | S260-F264 WeakPolarHBondContact O-CB 3.48Å; S260-F264 PolarHBondContact O-N 2.91Å; L261-F264 PolarHBondContact O-N 3.3Å; V262-F264 VanDerWaalsContact C-N 3.31Å; V262-F264 PolarHBondContact O-N 3.25Å; F264-N266 VanDerWaalsContact C-N 3.31Å; F264-N266 PolarHBondContact O-N 2.96Å; F264-K267 VanDerWaalsContact O-CB 3.26Å; F264-K267 WeakPolarHBondContact O-CB 3.44Å; F264-K267 PolarHBondContact O-N 3.46Å; F264-K267 VanDerWaalsContact O-N 3.12Å; F264-H268 AromaticContact CE2-CD2 3.86Å; F264-H268 AromaticContact CE2-NE2 3.66Å; F264-H268 PolarHBondContact O-CD2 3.2Å; F264-L296 HydrophobicContact CE2-CD2 4.09Å; F264-L296 HydrophobicContact CZ-CD1 4.09Å; F264-L296 HydrophobicContact CZ-CD2 3.78Å; F264-L357 HydrophobicContact CE1-CB 3.93Å; F264-L357 HydrophobicContact CZ-CB 4.29Å; F264-F358 HydrophobicContact CB-CD2 3.75Å; F264-F358 HydrophobicContact CB-CE2 4.33Å; F264-F358 HydrophobicContact CD1-CB 3.94Å; F264-F358 HydrophobicContact CD1-CD2 4.23Å; F264-F358 AromaticContact CD2-CD2 3.99Å; F264-F358 HydrophobicContact CD2-CD2 3.99Å; F264-F358 HydrophobicContact CE1-CB 4.14Å; F264-F358 HydrophobicContact CG-CB 4.29Å; F264-F358 AromaticContact CG-CD2 3.72Å; F264-F358 HydrophobicContact CG-CD2 3.72Å; F264-F358 HydrophobicContact CG-CG 4.5Å |
| 265 | V | 96.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.8 | -37.8 | -176.1 | -57.7 | 0 | 0 | 0 | 0 | 111.5 | L261 V262 K267 H268 L269 V276 F283 L292 L354 | L261-V265 WeakPolarHBondContact O-CG1 3.33Å; L261-V265 WeakPolarHBondContact O-CG2 3.46Å; L261-V265 PolarHBondContact O-N 3.09Å; V262-V265 PolarHBondContact O-N 2.88Å; V265-K267 VanDerWaalsContact C-N 3.34Å; V265-K267 PolarHBondContact O-N 3Å; V265-H268 PolarHBondContact O-N 3.22Å; V265-H268 VanDerWaalsContact O-N 3.16Å; V265-L269 HydrophobicContact CB-CD1 4.15Å; V265-L269 WeakPolarHBondContact O-CB 3.27Å; V265-L269 PolarHBondContact O-N 3.07Å; V265-V276 HydrophobicContact CG2-CB 3.83Å; V265-V276 HydrophobicContact CG2-CG1 4.26Å; V265-V276 HydrophobicContact CG2-CG2 3.73Å; V265-F283 HydrophobicContact CB-CZ 4.09Å; V265-F283 HydrophobicContact CG1-CZ 3.93Å; V265-F283 HydrophobicContact CG2-CE2 4.48Å; V265-F283 HydrophobicContact CG2-CZ 4.06Å; V265-L292 HydrophobicContact CB-CD2 4.38Å; V265-L292 HydrophobicContact CG1-CD2 3.8Å; V265-L354 HydrophobicContact CG1-CD2 4.03Å |
| 266 | N | 96.8 | Very high | 93.9 | Very high | 17 Ų | 17 | 58 Ų | 58 | 9% | 0.091 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -69.5 | -27.3 | 177.2 | -68.7 | -5 | 0 | 0 | 0 | 112.9 | V262 F264 H268 N270 V276 | V262-N266 WeakPolarHBondContact O-CB 3.35Å; V262-N266 PolarHBondContact O-N 2.82Å; F264-N266 VanDerWaalsContact C-N 3.31Å; F264-N266 PolarHBondContact O-N 2.96Å; N266-H268 PolarHBondContact O-N 2.7Å; N266-N270 WeakPolarHBondContact O-CB 3.11Å; N266-N270 PolarHBondContact O-N 3.41Å; N266-N270 VanDerWaalsContact O-N 3.08Å; N266-N270 PolarHBondContact O-ND2 2.94Å; N266-V276 PolarHBondContact ND2-O 2.91Å; N266-V276 WeakPolarHBondContact OD1-CA 3.49Å; N266-V276 WeakPolarHBondContact OD1-CB 3.22Å; N266-V276 WeakPolarHBondContact OD1-CG2 3.22Å; N266-V276 PolarHBondContact OD1-N 3.42Å |
| 267 | K | 95.3 | Very high | 94.2 | Very high | 94 Ų | 94 | 58 Ų | 58 | 41% | 0.409 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -55.6 | -36 | 171.1 | -171.2 | -162.1 | 173.4 | -170.2 | 0 | 111.6 | T263 F264 V265 K271 S364 E365 | T263-K267 PolarHBondContact O-N 2.98Å; T263-K267 VanDerWaalsContact O-N 3.17Å; F264-K267 VanDerWaalsContact O-CB 3.26Å; F264-K267 WeakPolarHBondContact O-CB 3.44Å; F264-K267 PolarHBondContact O-N 3.46Å; F264-K267 VanDerWaalsContact O-N 3.12Å; V265-K267 VanDerWaalsContact C-N 3.34Å; V265-K267 PolarHBondContact O-N 3Å; K267-K271 WeakPolarHBondContact O-CE 3.02Å; K267-S364 PolarHBondContact NZ-O 2.66Å; K267-E365 VanDerWaalsContact CE-OXT 3.23Å; K267-E365 WeakPolarHBondContact CE-OXT 3.14Å; K267-E365 PolarHBondContact NZ-OXT 2.8Å |
| 268 | H | 95.1 | Very high | 94.4 | Very high | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -94.2 | -53.4 | -179.8 | -61.3 | -84.3 | 0 | 0 | 0 | 111.5 | F264 V265 N266 N270 K271 L292 L295 | F264-H268 AromaticContact CE2-CD2 3.86Å; F264-H268 AromaticContact CE2-NE2 3.66Å; F264-H268 PolarHBondContact O-CD2 3.2Å; V265-H268 PolarHBondContact O-N 3.22Å; V265-H268 VanDerWaalsContact O-N 3.16Å; N266-H268 PolarHBondContact O-N 2.7Å; H268-N270 VanDerWaalsContact C-N 3.32Å; H268-N270 PolarHBondContact O-N 3.11Å; H268-K271 WeakPolarHBondContact O-CB 3.49Å; H268-K271 VanDerWaalsContact O-CG 3.24Å; H268-K271 WeakPolarHBondContact O-CG 3.49Å; H268-K271 PolarHBondContact O-N 2.96Å; H268-L292 HydrophobicContact CB-CD1 3.72Å; H268-L295 HydrophobicContact CB-CB 4.18Å; H268-L295 HydrophobicContact CB-CD1 4.33Å; H268-L295 WeakPolarHBondContact O-CD1 3.47Å |
| 269 | L | 96 | Very high | 94.4 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.4 | -28.5 | -174.3 | -70.2 | 172.1 | 0 | 0 | 0 | 113.8 | V265 K271 L272 N273 L274 V276 F283 Y288 L291 L292 L295 | V265-L269 HydrophobicContact CB-CD1 4.15Å; V265-L269 WeakPolarHBondContact O-CB 3.27Å; V265-L269 PolarHBondContact O-N 3.07Å; L269-K271 PolarHBondContact O-N 3.29Å; L269-K271 VanDerWaalsContact O-N 3.15Å; L269-L272 PolarHBondContact O-N 3.05Å; L269-N273 PolarHBondContact O-N 3.08Å; L269-L274 CarbonylContact C-O 3.56Å; L269-L274 HydrophobicContact CB-CB 4.14Å; L269-L274 VanDerWaalsContact CB-O 3.28Å; L269-L274 WeakPolarHBondContact CB-O 3.45Å; L269-L274 HydrophobicContact CD2-CD1 4.44Å; L269-L274 PolarHBondContact O-N 3.46Å; L269-L274 VanDerWaalsContact O-N 3.12Å; L269-V276 HydrophobicContact CD1-CG2 3.61Å; L269-F283 HydrophobicContact CD1-CE1 4.39Å; L269-F283 HydrophobicContact CD1-CZ 4.3Å; L269-Y288 HydrophobicContact CD1-CD2 4.11Å; L269-Y288 HydrophobicContact CD1-CG 4.42Å; L269-L291 HydrophobicContact CD2-CB 4.28Å; L269-L292 HydrophobicContact CD2-CB 4.29Å; L269-L295 HydrophobicContact CD2-CD1 4.04Å |
| 270 | N | 95.7 | Very high | 94 | Very high | 80 Ų | 80 | 55.8 Ų | 55.8 | 43% | 0.428 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -63.1 | -20.8 | 172.6 | -70.4 | -3.1 | 0 | 0 | 0 | 112.5 | N266 H268 L272 N273 L274 | N266-N270 WeakPolarHBondContact O-CB 3.11Å; N266-N270 PolarHBondContact O-N 3.41Å; N266-N270 VanDerWaalsContact O-N 3.08Å; N266-N270 PolarHBondContact O-ND2 2.94Å; H268-N270 VanDerWaalsContact C-N 3.32Å; H268-N270 PolarHBondContact O-N 3.11Å; N270-L272 PolarHBondContact O-N 2.89Å; N270-N273 PolarHBondContact O-N 2.92Å; N270-L274 PolarHBondContact N-O 2.99Å; N270-L274 PolarHBondContact OD1-O 3.06Å; N270-L274 VanDerWaalsContact OD1-O 3.12Å |
| 271 | K | 93.3 | Very high | 94 | Very high | 106 Ų | 106 | 55.4 Ų | 55.4 | 46% | 0.461 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -63.3 | -17.4 | 171.8 | -56.2 | 177.2 | -175.6 | -177.3 | 0 | 112.3 | K267 H268 L269 L295 E365 | K267-K271 WeakPolarHBondContact O-CE 3.02Å; H268-K271 WeakPolarHBondContact O-CB 3.49Å; H268-K271 VanDerWaalsContact O-CG 3.24Å; H268-K271 WeakPolarHBondContact O-CG 3.49Å; H268-K271 PolarHBondContact O-N 2.96Å; L269-K271 PolarHBondContact O-N 3.29Å; L269-K271 VanDerWaalsContact O-N 3.15Å; K271-L295 HydrophobicContact CB-CD2 4.36Å; K271-E365 PolarHBondContact NZ-O 3Å; K271-E365 PolarHBondContact NZ-OXT 2.71Å |
| 272 | L | 93.1 | Very high | 94 | Very high | 78 Ų | 78 | 57.5 Ų | 57.5 | 41% | 0.408 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -108.5 | 7.1 | 173.5 | -58.2 | -179.4 | 0 | 0 | 0 | 113.3 | L269 N270 L274 L291 L295 | L269-L272 PolarHBondContact O-N 3.05Å; N270-L272 PolarHBondContact O-N 2.89Å; L272-L274 VanDerWaalsContact C-N 3.3Å; L272-L274 HydrophobicContact CB-CD1 4.28Å; L272-L274 HydrophobicContact CB-CG 4.23Å; L272-L274 HydrophobicContact CD1-CD1 4.49Å; L272-L291 HydrophobicContact CD1-CB 4.18Å; L272-L291 HydrophobicContact CD1-CD1 4.35Å; L272-L291 HydrophobicContact CD1-CD2 4.28Å; L272-L295 HydrophobicContact CD1-CD1 3.77Å; L272-L295 HydrophobicContact CD1-CD2 4.41Å; L272-L295 HydrophobicContact CD1-CG 4.28Å; L272-L295 HydrophobicContact CD2-CD2 4.42Å; L272-L295 HydrophobicContact CG-CD1 4.03Å; L272-L295 HydrophobicContact CG-CD2 4.21Å |
| 273 | N | 94.1 | Very high | 94.1 | Very high | 156 Ų | 156 | 56 Ų | 56 | 83% | 0.834 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.5 | 30.4 | -169.2 | -44.3 | -82.6 | 0 | 0 | 0 | 114.2 | L269 N270 | L269-N273 PolarHBondContact O-N 3.08Å; N270-N273 PolarHBondContact O-N 2.92Å |
| 274 | L | 95 | Very high | 94.1 | Very high | 42 Ų | 42 | 51.7 Ų | 51.7 | 22% | 0.22 | 26% | 0.263 | C | S | . | . | trans | -105.4 | 120.2 | 174.3 | -62.5 | 176.6 | 0 | 0 | 0 | 109.8 | L269 N270 L272 Y288 L291 | L269-L274 CarbonylContact C-O 3.56Å; L269-L274 HydrophobicContact CB-CB 4.14Å; L269-L274 VanDerWaalsContact CB-O 3.28Å; L269-L274 WeakPolarHBondContact CB-O 3.45Å; L269-L274 HydrophobicContact CD2-CD1 4.44Å; L269-L274 PolarHBondContact O-N 3.46Å; L269-L274 VanDerWaalsContact O-N 3.12Å; N270-L274 PolarHBondContact N-O 2.99Å; N270-L274 PolarHBondContact OD1-O 3.06Å; N270-L274 VanDerWaalsContact OD1-O 3.12Å; L272-L274 VanDerWaalsContact C-N 3.3Å; L272-L274 HydrophobicContact CB-CD1 4.28Å; L272-L274 HydrophobicContact CB-CG 4.23Å; L272-L274 HydrophobicContact CD1-CD1 4.49Å; L274-Y288 HydrophobicContact CD1-CD1 4.3Å; L274-Y288 HydrophobicContact CD1-CE1 4.01Å; L274-Y288 HydrophobicContact CD2-CE1 4.12Å; L274-Y288 HydrophobicContact CG-CE1 4.46Å; L274-L291 HydrophobicContact CD1-CD1 3.57Å | ||
| 275 | E | 94.8 | Very high | 94.1 | Very high | 125 Ų | 125 | 53.4 Ų | 53.4 | 58% | 0.584 | 27% | 0.273 | S | S | * | . | trans | -109.1 | 133.5 | 178.9 | -176.8 | 169.7 | -152 | 0 | 0 | 111.4 | Q282 | E275-Q282 PolarHBondContact O-NE2 3.44Š| ||
| 276 | V | 95.5 | Very high | 94.1 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.006 | 27% | 0.273 | C | S | . | . | trans | -102.2 | 123.6 | 172.8 | -171.3 | 0 | 0 | 0 | 0 | 110.1 | V262 V265 N266 L269 L279 Q282 F283 Y288 | V262-V276 WeakPolarHBondContact CG1-O 3.39Å; V265-V276 HydrophobicContact CG2-CB 3.83Å; V265-V276 HydrophobicContact CG2-CG1 4.26Å; V265-V276 HydrophobicContact CG2-CG2 3.73Å; N266-V276 PolarHBondContact ND2-O 2.91Å; N266-V276 WeakPolarHBondContact OD1-CA 3.49Å; N266-V276 WeakPolarHBondContact OD1-CB 3.22Å; N266-V276 WeakPolarHBondContact OD1-CG2 3.22Å; N266-V276 PolarHBondContact OD1-N 3.42Å; L269-V276 HydrophobicContact CD1-CG2 3.61Å; V276-L279 HydrophobicContact CG1-CD2 3.84Å; V276-Q282 HydrophobicContact CG1-CB 4.39Å; V276-F283 HydrophobicContact CG1-CE2 3.91Å; V276-F283 HydrophobicContact CG1-CZ 4.48Å; V276-F283 HydrophobicContact CG2-CE2 4.29Å; V276-F283 HydrophobicContact CG2-CZ 4.06Å; V276-Y288 HydrophobicContact CG2-CD2 3.76Å; V276-Y288 HydrophobicContact CG2-CE2 3.91Å | ||
| 277 | T | 93 | Very high | 94.1 | Very high | 101 Ų | 101 | 53 Ų | 53 | 62% | 0.62 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -108.8 | -30.4 | 170.2 | 57.1 | 0 | 0 | 0 | 0 | 112.2 | Q282 | T277-Q282 PolarHBondContact OG1-OE1 2.88Š|
| 278 | E | 91.3 | Very high | 94.3 | Very high | 104 Ų | 104 | 50.5 Ų | 50.5 | 49% | 0.486 | 26% | 0.26 | S | S | . | . | trans | -126.2 | 115.6 | -175.8 | -68.8 | -177.7 | -176.5 | 0 | 0 | 111.5 | E280 S281 Q282 | E278-E280 VanDerWaalsContact C-N 3.26Å; E278-S281 VanDerWaalsContact CB-OG 3.24Å; E278-S281 WeakPolarHBondContact CB-OG 3.33Å; E278-S281 PolarHBondContact OE2-OG 3.23Å; E278-Q282 WeakPolarHBondContact O-CB 3.41Å; E278-Q282 PolarHBondContact O-N 2.91Å | ||
| 279 | L | 90.9 | Very high | 94.3 | Very high | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -19.2 | 175.6 | -56.8 | -176.2 | 0 | 0 | 0 | 111.9 | K258 L261 V262 V276 S281 F283 T350 L351 L354 | K258-L279 HydrophobicContact CB-CD1 4.22Å; K258-L279 HydrophobicContact CG-CD1 4.36Å; L261-L279 HydrophobicContact CB-CD1 3.79Å; L261-L279 HydrophobicContact CD1-CD1 4.45Å; V262-L279 HydrophobicContact CG2-CD1 4.02Å; V262-L279 HydrophobicContact CG2-CD2 3.71Å; V262-L279 HydrophobicContact CG2-CG 3.73Å; V276-L279 HydrophobicContact CG1-CD2 3.84Å; L279-S281 VanDerWaalsContact C-N 3.32Å; L279-F283 HydrophobicContact CD2-CD2 4.49Å; L279-F283 HydrophobicContact CD2-CE2 3.82Å; L279-T350 WeakPolarHBondContact O-CG2 3.29Å; L279-L351 HydrophobicContact CB-CD2 4.3Å; L279-L351 HydrophobicContact CD1-CD2 3.57Å; L279-L354 HydrophobicContact CD2-CD1 3.89Å |
| 280 | E | 84.5 | Confident | 94.4 | Very high | 66 Ų | 66 | 50.5 Ų | 50.5 | 31% | 0.308 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -34.2 | 177.8 | -71.5 | 65.3 | -159.6 | 0 | 0 | 112.7 | K258 E278 L345 L347 | K258-E280 VanDerWaalsContact CE-OE1 3.3Å; K258-E280 WeakPolarHBondContact CE-OE1 3.44Å; K258-E280 IonicContact NZ-OE1 3.7Å; K258-E280 PolarHBondContact NZ-OE1 3.36Å; E278-E280 VanDerWaalsContact C-N 3.26Å; E280-L345 VanDerWaalsContact O-CD2 3.27Å; E280-L345 WeakPolarHBondContact O-CD2 3.48Å; E280-L347 HydrophobicContact CG-CD1 3.97Å; E280-L347 HydrophobicContact CG-CD2 4.39Å; E280-L347 WeakPolarHBondContact OE1-CD1 3.41Å |
| 281 | S | 91.3 | Very high | 94.5 | Very high | 43 Ų | 43 | 48.2 Ų | 48.2 | 30% | 0.301 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -125.9 | -45.9 | -162.9 | 57.8 | 0 | 0 | 0 | 0 | 113.6 | E278 L279 F283 A284 | E278-S281 VanDerWaalsContact CB-OG 3.24Å; E278-S281 WeakPolarHBondContact CB-OG 3.33Å; E278-S281 PolarHBondContact OE2-OG 3.23Å; L279-S281 VanDerWaalsContact C-N 3.32Å; S281-F283 PolarHBondContact O-N 3.08Å; S281-F283 VanDerWaalsContact O-N 3.09Å; S281-A284 WeakPolarHBondContact O-CB 3.5Å; S281-A284 PolarHBondContact O-N 3.31Å; S281-A284 VanDerWaalsContact O-N 3.14Å |
| 282 | Q | 95.4 | Very high | 94.7 | Very high | 45 Ų | 45 | 43.2 Ų | 43.2 | 21% | 0.21 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -3.4 | -167.1 | -65 | -178.5 | -93.3 | 0 | 0 | 116 | E275 V276 T277 E278 Y288 | E275-Q282 PolarHBondContact O-NE2 3.44Å; V276-Q282 HydrophobicContact CG1-CB 4.39Å; T277-Q282 PolarHBondContact OG1-OE1 2.88Å; E278-Q282 WeakPolarHBondContact O-CB 3.41Å; E278-Q282 PolarHBondContact O-N 2.91Å; Q282-Y288 HydrophobicContact CB-CD2 4.12Å; Q282-Y288 HydrophobicContact CB-CE2 4.08Å; Q282-Y288 WeakPolarHBondContact O-CD2 3.17Å |
| 283 | F | 96.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 0% | 0.004 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | -4.4 | 173.6 | -68.8 | -78.6 | 0 | 0 | 0 | 113.7 | V265 L269 V276 L279 S281 D285 G286 L289 T350 L354 | V265-F283 HydrophobicContact CB-CZ 4.09Å; V265-F283 HydrophobicContact CG1-CZ 3.93Å; V265-F283 HydrophobicContact CG2-CE2 4.48Å; V265-F283 HydrophobicContact CG2-CZ 4.06Å; L269-F283 HydrophobicContact CD1-CE1 4.39Å; L269-F283 HydrophobicContact CD1-CZ 4.3Å; V276-F283 HydrophobicContact CG1-CE2 3.91Å; V276-F283 HydrophobicContact CG1-CZ 4.48Å; V276-F283 HydrophobicContact CG2-CE2 4.29Å; V276-F283 HydrophobicContact CG2-CZ 4.06Å; L279-F283 HydrophobicContact CD2-CD2 4.49Å; L279-F283 HydrophobicContact CD2-CE2 3.82Å; S281-F283 PolarHBondContact O-N 3.08Å; S281-F283 VanDerWaalsContact O-N 3.09Å; F283-D285 PolarHBondContact O-N 2.96Å; F283-G286 PolarHBondContact O-N 2.92Å; F283-L289 HydrophobicContact CB-CD2 4.47Å; F283-L289 HydrophobicContact CB-CG 4.33Å; F283-L289 HydrophobicContact CD1-CD2 3.51Å; F283-L289 HydrophobicContact CD1-CG 3.76Å; F283-L289 HydrophobicContact CE1-CD2 4.03Å; F283-L289 HydrophobicContact CG-CD2 4.22Å; F283-L289 HydrophobicContact CG-CG 4.45Å; F283-T350 HydrophobicContact CB-CG2 3.87Å; F283-T350 HydrophobicContact CD2-CG2 4.26Å; F283-T350 HydrophobicContact CG-CG2 4.35Å; F283-L354 HydrophobicContact CD1-CD2 4.28Å; F283-L354 HydrophobicContact CD2-CD1 3.8Å; F283-L354 HydrophobicContact CD2-CD2 4.48Å; F283-L354 HydrophobicContact CE1-CD2 3.92Å; F283-L354 HydrophobicContact CE2-CD1 3.57Å; F283-L354 HydrophobicContact CE2-CD2 4.15Å; F283-L354 HydrophobicContact CE2-CG 4.48Å; F283-L354 HydrophobicContact CG-CD1 4.5Å; F283-L354 HydrophobicContact CZ-CD1 4.12Å; F283-L354 HydrophobicContact CZ-CD2 3.86Å |
| 284 | A | 95.6 | Very high | 94.9 | Very high | 12 Ų | 12 | 32.3 Ų | 32.3 | 10% | 0.099 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | S281 V342 V343 L345 | S281-A284 WeakPolarHBondContact O-CB 3.5Å; S281-A284 PolarHBondContact O-N 3.31Å; S281-A284 VanDerWaalsContact O-N 3.14Å; A284-V342 WeakPolarHBondContact CB-O 3.39Å; A284-V343 WeakPolarHBondContact O-CA 3.44Å; A284-L345 HydrophobicContact CB-CD2 3.58Å |
| 285 | D | 96.3 | Very high | 94.9 | Very high | 47 Ų | 47 | 32.1 Ų | 32.1 | 25% | 0.251 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | -4 | 170.1 | 69.9 | 8.3 | 0 | 0 | 0 | 113.5 | F283 V287 P310 K316 N319 | F283-D285 PolarHBondContact O-N 2.96Å; D285-V287 HydrophobicContact CB-CG2 4.41Å; D285-V287 PolarHBondContact O-N 3.22Å; D285-V287 VanDerWaalsContact O-N 3.08Å; D285-V287 WeakPolarHBondContact OD1-CB 3.13Å; D285-V287 PolarHBondContact OD1-N 2.86Å; D285-P310 HydrophobicContact CB-CG 3.74Å; D285-K316 HydrophobicContact CB-CD 4.35Å; D285-K316 HydrophobicContact CB-CG 4.27Å; D285-N319 VanDerWaalsContact O-CB 3.24Å; D285-N319 WeakPolarHBondContact O-CB 3.32Å; D285-N319 PolarHBondContact O-ND2 2.8Å |
| 286 | G | 96.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | S | Bend | trans | 69.2 | -13.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | F283 Y288 L289 V290 | F283-G286 PolarHBondContact O-N 2.92Å; G286-Y288 PolarHBondContact O-N 3.19Å; G286-L289 WeakPolarHBondContact O-CB 3.29Å; G286-L289 PolarHBondContact O-N 3.02Å; G286-V290 WeakPolarHBondContact O-CG2 3.18Å; G286-V290 PolarHBondContact O-N 3.36Å |
| 287 | V | 97.6 | Very high | 94.8 | Very high | 8 Ų | 8 | 30.1 Ų | 30.1 | 5% | 0.048 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.8 | -46.5 | -174.6 | 177.5 | 0 | 0 | 0 | 0 | 110.5 | D285 L289 V290 L291 F306 F307 L308 P310 | D285-V287 HydrophobicContact CB-CG2 4.41Å; D285-V287 PolarHBondContact O-N 3.22Å; D285-V287 VanDerWaalsContact O-N 3.08Å; D285-V287 WeakPolarHBondContact OD1-CB 3.13Å; D285-V287 PolarHBondContact OD1-N 2.86Å; V287-L289 VanDerWaalsContact C-N 3.3Å; V287-L289 PolarHBondContact O-N 2.94Å; V287-V290 PolarHBondContact O-N 2.95Å; V287-L291 HydrophobicContact CG1-CD1 3.94Å; V287-L291 HydrophobicContact CG1-CG 4.46Å; V287-L291 WeakPolarHBondContact O-CB 3.5Å; V287-L291 WeakPolarHBondContact O-CG 3.35Å; V287-L291 PolarHBondContact O-N 2.88Å; V287-F306 HydrophobicContact CG1-CE2 4.35Å; V287-F307 WeakPolarHBondContact CG2-O 3.47Å; V287-L308 HydrophobicContact CG1-CD1 4.01Å; V287-P310 HydrophobicContact CG2-CG 4.2Å |
| 288 | Y | 97.6 | Very high | 94.8 | Very high | 43 Ų | 43 | 32.7 Ų | 32.7 | 17% | 0.169 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -69.2 | -25.6 | 178.7 | -78.1 | 22.4 | 0 | 0 | 0 | 112.8 | L269 L274 V276 Q282 G286 L292 | L269-Y288 HydrophobicContact CD1-CD2 4.11Å; L269-Y288 HydrophobicContact CD1-CG 4.42Å; L274-Y288 HydrophobicContact CD1-CD1 4.3Å; L274-Y288 HydrophobicContact CD1-CE1 4.01Å; L274-Y288 HydrophobicContact CD2-CE1 4.12Å; L274-Y288 HydrophobicContact CG-CE1 4.46Å; V276-Y288 HydrophobicContact CG2-CD2 3.76Å; V276-Y288 HydrophobicContact CG2-CE2 3.91Å; Q282-Y288 HydrophobicContact CB-CD2 4.12Å; Q282-Y288 HydrophobicContact CB-CE2 4.08Å; Q282-Y288 WeakPolarHBondContact O-CD2 3.17Å; G286-Y288 PolarHBondContact O-N 3.19Å; Y288-L292 WeakPolarHBondContact O-CB 3.41Å; Y288-L292 PolarHBondContact O-N 3.41Å |
| 289 | L | 97.1 | Very high | 94.9 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -72.4 | -44.9 | 173 | -68.6 | 180 | 0 | 0 | 0 | 111.4 | F283 G286 V287 L292 M293 V320 A323 F324 V342 V353 L354 | F283-L289 HydrophobicContact CB-CD2 4.47Å; F283-L289 HydrophobicContact CB-CG 4.33Å; F283-L289 HydrophobicContact CD1-CD2 3.51Å; F283-L289 HydrophobicContact CD1-CG 3.76Å; F283-L289 HydrophobicContact CE1-CD2 4.03Å; F283-L289 HydrophobicContact CG-CD2 4.22Å; F283-L289 HydrophobicContact CG-CG 4.45Å; G286-L289 WeakPolarHBondContact O-CB 3.29Å; G286-L289 PolarHBondContact O-N 3.02Å; V287-L289 VanDerWaalsContact C-N 3.3Å; V287-L289 PolarHBondContact O-N 2.94Å; L289-L292 PolarHBondContact O-N 2.95Å; L289-M293 PolarHBondContact O-N 3.39Å; L289-V320 HydrophobicContact CD1-CG1 4.09Å; L289-V320 HydrophobicContact CD1-CG2 4.37Å; L289-A323 HydrophobicContact CB-CB 3.65Å; L289-F324 HydrophobicContact CD1-CE1 4.33Å; L289-V342 HydrophobicContact CD1-CG1 4.38Å; L289-V353 HydrophobicContact CD1-CG1 4.33Å; L289-V353 HydrophobicContact CD2-CG1 3.99Å; L289-L354 HydrophobicContact CD2-CD2 3.79Å |
| 290 | V | 97.8 | Very high | 95 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.3 | -47.6 | 178.4 | 175.2 | 0 | 0 | 0 | 0 | 110.9 | G286 V287 M293 G294 V301 F306 N319 F322 A323 L326 | G286-V290 WeakPolarHBondContact O-CG2 3.18Å; G286-V290 PolarHBondContact O-N 3.36Å; V287-V290 PolarHBondContact O-N 2.95Å; V290-M293 PolarHBondContact O-N 3.41Å; V290-G294 PolarHBondContact O-N 3.41Å; V290-V301 HydrophobicContact CG1-CB 4.11Å; V290-V301 HydrophobicContact CG1-CG1 3.64Å; V290-V301 HydrophobicContact CG1-CG2 3.98Å; V290-F306 HydrophobicContact CB-CD2 4.35Å; V290-F306 HydrophobicContact CB-CG 4.47Å; V290-F306 HydrophobicContact CG1-CB 4.44Å; V290-F306 HydrophobicContact CG1-CD1 3.73Å; V290-F306 HydrophobicContact CG1-CD2 4.08Å; V290-F306 HydrophobicContact CG1-CE1 3.86Å; V290-F306 HydrophobicContact CG1-CE2 4.22Å; V290-F306 HydrophobicContact CG1-CG 3.83Å; V290-F306 HydrophobicContact CG1-CZ 4.11Å; V290-F306 HydrophobicContact CG2-CB 4.46Å; V290-F306 HydrophobicContact CG2-CG 4.48Å; V290-N319 WeakPolarHBondContact CG2-O 3.44Å; V290-F322 HydrophobicContact CG1-CD1 4.26Å; V290-F322 HydrophobicContact CG1-CE1 4.1Å; V290-F322 HydrophobicContact CG2-CD1 4.04Å; V290-A323 HydrophobicContact CG2-CB 3.86Å; V290-L326 HydrophobicContact CG1-CD1 4.21Å |
| 291 | L | 97 | Very high | 95.5 | Very high | 32 Ų | 32 | 36.4 Ų | 36.4 | 17% | 0.168 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.1 | -38.6 | 178 | -67.2 | 177.1 | 0 | 0 | 0 | 112.2 | L269 L272 L274 V287 G294 L295 F306 | L269-L291 HydrophobicContact CD2-CB 4.28Å; L272-L291 HydrophobicContact CD1-CB 4.18Å; L272-L291 HydrophobicContact CD1-CD1 4.35Å; L272-L291 HydrophobicContact CD1-CD2 4.28Å; L274-L291 HydrophobicContact CD1-CD1 3.57Å; V287-L291 HydrophobicContact CG1-CD1 3.94Å; V287-L291 HydrophobicContact CG1-CG 4.46Å; V287-L291 WeakPolarHBondContact O-CB 3.5Å; V287-L291 WeakPolarHBondContact O-CG 3.35Å; V287-L291 PolarHBondContact O-N 2.88Å; L291-G294 PolarHBondContact O-N 3Å; L291-L295 WeakPolarHBondContact O-CD1 3.38Å; L291-L295 VanDerWaalsContact O-CG 3.28Å; L291-L295 WeakPolarHBondContact O-CG 3.42Å; L291-L295 PolarHBondContact O-N 3.43Å; L291-L295 VanDerWaalsContact O-N 3.15Å; L291-F306 HydrophobicContact CD2-CZ 4.11Å |
| 292 | L | 96.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.5 | -44.2 | 173.8 | 179.2 | 61.2 | 0 | 0 | 0 | 111.3 | V265 H268 L269 Y288 L289 G294 L295 L296 L354 L357 | V265-L292 HydrophobicContact CB-CD2 4.38Å; V265-L292 HydrophobicContact CG1-CD2 3.8Å; H268-L292 HydrophobicContact CB-CD1 3.72Å; L269-L292 HydrophobicContact CD2-CB 4.29Å; Y288-L292 WeakPolarHBondContact O-CB 3.41Å; Y288-L292 PolarHBondContact O-N 3.41Å; L289-L292 PolarHBondContact O-N 2.95Å; L292-G294 PolarHBondContact O-N 3.36Å; L292-L295 PolarHBondContact O-N 3.26Å; L292-L295 VanDerWaalsContact O-N 3.14Å; L292-L296 HydrophobicContact CD1-CD1 3.99Å; L292-L296 HydrophobicContact CD1-CD2 4.24Å; L292-L296 HydrophobicContact CD1-CG 3.95Å; L292-L296 HydrophobicContact CD2-CD1 4.49Å; L292-L296 HydrophobicContact CG-CD1 3.8Å; L292-L296 HydrophobicContact CG-CG 4.21Å; L292-L296 VanDerWaalsContact O-CG 3.25Å; L292-L296 WeakPolarHBondContact O-CG 3.46Å; L292-L296 PolarHBondContact O-N 2.83Å; L292-L354 HydrophobicContact CD2-CD2 4.19Å; L292-L357 HydrophobicContact CD2-CD1 3.65Å; L292-L357 HydrophobicContact CG-CD1 4.26Å |
| 293 | M | 96.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.2 | -46.5 | 177.8 | -80.2 | -52.7 | -52 | 0 | 0 | 113 | L289 V290 L295 L296 E297 L326 M327 L357 | L289-M293 PolarHBondContact O-N 3.39Å; V290-M293 PolarHBondContact O-N 3.41Å; M293-L295 VanDerWaalsContact C-N 3.27Å; M293-L295 PolarHBondContact O-N 3.35Å; M293-L296 PolarHBondContact O-N 2.9Å; M293-L296 VanDerWaalsContact O-N 3.14Å; M293-L296 HydrophobicContact SD-CD1 4.48Å; M293-E297 HydrophobicContact CE-CG 4.01Å; M293-E297 PolarHBondContact O-N 3.26Å; M293-L326 HydrophobicContact CB-CB 4.17Å; M293-L326 HydrophobicContact CB-CD1 4.25Å; M293-L326 HydrophobicContact CG-CB 4.28Å; M293-M327 HydrophobicContact CE-CG 4.06Å; M293-M327 HydrophobicContact CG-CE 4.01Å; M293-M327 HydrophobicContact CG-CG 4Å; M293-M327 HydrophobicContact SD-CB 4.49Å; M293-M327 HydrophobicContact SD-CE 4.11Å; M293-M327 HydrophobicContact SD-CG 3.42Å; M293-M327 WeakPolarHBondContact SD-CG 3.22Å; M293-L357 HydrophobicContact SD-CD1 4.41Å; M293-L357 HydrophobicContact SD-CD2 3.47Å; M293-L357 WeakPolarHBondContact SD-CD2 3.48Å |
| 294 | G | 95 | Very high | 95.1 | Very high | 6 Ų | 6 | 47.8 Ų | 47.8 | 6% | 0.062 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.7 | -36 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | V290 L291 L292 N298 Y299 | V290-G294 PolarHBondContact O-N 3.41Å; L291-G294 PolarHBondContact O-N 3Å; L292-G294 PolarHBondContact O-N 3.36Å; G294-N298 CarbonylContact O-C 3.21Å; G294-N298 VanDerWaalsContact O-CA 3.31Å; G294-N298 WeakPolarHBondContact O-CA 3.21Å; G294-N298 PolarHBondContact O-N 2.9Å; G294-Y299 CarbonylContact C-O 3.34Å; G294-Y299 VanDerWaalsContact CA-O 3.23Å; G294-Y299 WeakPolarHBondContact CA-O 3.25Å; G294-Y299 PolarHBondContact O-N 3.5Å |
| 295 | L | 95.1 | Very high | 95 | Very high | 38 Ų | 38 | 50 Ų | 50 | 20% | 0.199 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -74.6 | -24.3 | 176.3 | -69.7 | 164.6 | 0 | 0 | 0 | 114.4 | H268 L269 K271 L272 L291 L292 M293 | H268-L295 HydrophobicContact CB-CB 4.18Å; H268-L295 HydrophobicContact CB-CD1 4.33Å; H268-L295 WeakPolarHBondContact O-CD1 3.47Å; L269-L295 HydrophobicContact CD2-CD1 4.04Å; K271-L295 HydrophobicContact CB-CD2 4.36Å; L272-L295 HydrophobicContact CD1-CD1 3.77Å; L272-L295 HydrophobicContact CD1-CD2 4.41Å; L272-L295 HydrophobicContact CD1-CG 4.28Å; L272-L295 HydrophobicContact CD2-CD2 4.42Å; L272-L295 HydrophobicContact CG-CD1 4.03Å; L272-L295 HydrophobicContact CG-CD2 4.21Å; L291-L295 WeakPolarHBondContact O-CD1 3.38Å; L291-L295 VanDerWaalsContact O-CG 3.28Å; L291-L295 WeakPolarHBondContact O-CG 3.42Å; L291-L295 PolarHBondContact O-N 3.43Å; L291-L295 VanDerWaalsContact O-N 3.15Å; L292-L295 PolarHBondContact O-N 3.26Å; L292-L295 VanDerWaalsContact O-N 3.14Å; M293-L295 VanDerWaalsContact C-N 3.27Å; M293-L295 PolarHBondContact O-N 3.35Å |
| 296 | L | 95.1 | Very high | 95.1 | Very high | 13 Ų | 13 | 48 Ų | 48 | 7% | 0.068 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -84.3 | -38.4 | 178.4 | -68.2 | 175.7 | 0 | 0 | 0 | 111.9 | F264 L292 M293 L357 Y361 | F264-L296 HydrophobicContact CE2-CD2 4.09Å; F264-L296 HydrophobicContact CZ-CD1 4.09Å; F264-L296 HydrophobicContact CZ-CD2 3.78Å; L292-L296 HydrophobicContact CD1-CD1 3.99Å; L292-L296 HydrophobicContact CD1-CD2 4.24Å; L292-L296 HydrophobicContact CD1-CG 3.95Å; L292-L296 HydrophobicContact CD2-CD1 4.49Å; L292-L296 HydrophobicContact CG-CD1 3.8Å; L292-L296 HydrophobicContact CG-CG 4.21Å; L292-L296 VanDerWaalsContact O-CG 3.25Å; L292-L296 WeakPolarHBondContact O-CG 3.46Å; L292-L296 PolarHBondContact O-N 2.83Å; M293-L296 PolarHBondContact O-N 2.9Å; M293-L296 VanDerWaalsContact O-N 3.14Å; M293-L296 HydrophobicContact SD-CD1 4.48Å; L296-L357 HydrophobicContact CD1-CB 4.19Å; L296-L357 HydrophobicContact CD1-CD1 4.2Å; L296-L357 HydrophobicContact CD1-CD2 4.25Å; L296-L357 HydrophobicContact CD1-CG 4.44Å; L296-Y361 HydrophobicContact CB-CD1 3.96Å; L296-Y361 HydrophobicContact CB-CD2 4.3Å; L296-Y361 HydrophobicContact CB-CE1 4.02Å; L296-Y361 HydrophobicContact CB-CE2 4.35Å; L296-Y361 HydrophobicContact CB-CG 4.1Å; L296-Y361 HydrophobicContact CD1-CD2 3.75Å; L296-Y361 HydrophobicContact CD1-CE2 4.13Å; L296-Y361 HydrophobicContact CD1-CG 4.1Å; L296-Y361 HydrophobicContact CD2-CG 4.1Å; L296-Y361 HydrophobicContact CG-CD2 4.43Å; L296-Y361 HydrophobicContact CG-CG 4.32Å |
| 297 | E | 93.9 | Very high | 95.1 | Very high | 71 Ų | 71 | 52 Ų | 52 | 33% | 0.332 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -1.7 | 175.4 | -70.9 | -68 | 119.1 | 0 | 0 | 113.5 | M293 Y299 Y361 | M293-E297 HydrophobicContact CE-CG 4.01Å; M293-E297 PolarHBondContact O-N 3.26Å; E297-Y299 HydrophobicContact CB-CD1 3.42Å; E297-Y299 VanDerWaalsContact CB-CD1 3.42Å; E297-Y299 HydrophobicContact CB-CE1 3.16Å; E297-Y299 HydrophobicContact CB-CG 4.42Å; E297-Y299 HydrophobicContact CG-CD1 4.44Å; E297-Y299 HydrophobicContact CG-CE1 3.74Å; E297-Y299 PolarHBondContact O-N 3.25Å; E297-Y361 WeakPolarHBondContact OE1-CE1 3.46Å; E297-Y361 VanDerWaalsContact OE1-CZ 3.27Å; E297-Y361 PolarHBondContact OE1-OH 2.94Å |
| 298 | N | 92.9 | Very high | 95 | Very high | 154 Ų | 154 | 56 Ų | 56 | 82% | 0.824 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | 41.8 | 179 | -168.6 | 46.5 | 0 | 0 | 0 | 114.2 | G294 | G294-N298 CarbonylContact O-C 3.21Å; G294-N298 VanDerWaalsContact O-CA 3.31Å; G294-N298 WeakPolarHBondContact O-CA 3.21Å; G294-N298 PolarHBondContact O-N 2.9Å |
| 299 | Y | 93.4 | Very high | 94.9 | Very high | 86 Ų | 86 | 59.3 Ų | 59.3 | 34% | 0.337 | 29% | 0.291 | S | S | . | . | trans | -128.3 | 158.2 | 171.6 | 63.1 | -113.8 | 0 | 0 | 0 | 113 | G294 E297 V301 | G294-Y299 CarbonylContact C-O 3.34Å; G294-Y299 VanDerWaalsContact CA-O 3.23Å; G294-Y299 WeakPolarHBondContact CA-O 3.25Å; G294-Y299 PolarHBondContact O-N 3.5Å; E297-Y299 HydrophobicContact CB-CD1 3.42Å; E297-Y299 VanDerWaalsContact CB-CD1 3.42Å; E297-Y299 HydrophobicContact CB-CE1 3.16Å; E297-Y299 HydrophobicContact CB-CG 4.42Å; E297-Y299 HydrophobicContact CG-CD1 4.44Å; E297-Y299 HydrophobicContact CG-CE1 3.74Å; E297-Y299 PolarHBondContact O-N 3.25Å; Y299-V301 HydrophobicContact CD2-CG2 4.3Å; Y299-V301 HydrophobicContact CE2-CG2 3.86Å | ||
| 300 | F | 92.9 | Very high | 94.8 | Very high | 157 Ų | 157 | 60 Ų | 60 | 69% | 0.689 | 30% | 0.296 | S | S | * | . | P | Polyproline II helix | trans | -86.1 | 122.6 | 173.4 | 177.6 | -103.5 | 0 | 0 | 0 | 110.9 | P302 L303 | F300-P302 WeakPolarHBondContact O-CD 3.3Å; F300-L303 HydrophobicContact CZ-CD2 4.5Å; F300-L303 HydrophobicContact CZ-CG 4.08Å |
| 301 | V | 94.4 | Very high | 94.6 | Very high | 7 Ų | 7 | 68.2 Ų | 68.2 | 4% | 0.042 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -78 | 123.5 | 170.5 | -176.4 | 0 | 0 | 0 | 0 | 109.5 | V290 Y299 L303 F306 F322 L326 | V290-V301 HydrophobicContact CG1-CB 4.11Å; V290-V301 HydrophobicContact CG1-CG1 3.64Å; V290-V301 HydrophobicContact CG1-CG2 3.98Å; Y299-V301 HydrophobicContact CD2-CG2 4.3Å; Y299-V301 HydrophobicContact CE2-CG2 3.86Å; V301-L303 PolarHBondContact O-N 3.21Å; V301-F306 HydrophobicContact CB-CE1 4.13Å; V301-F306 HydrophobicContact CG1-CD1 3.68Å; V301-F306 HydrophobicContact CG1-CE1 3.64Å; V301-F322 HydrophobicContact CG1-CE1 3.66Å; V301-F322 HydrophobicContact CG1-CZ 4.09Å; V301-L326 HydrophobicContact CG1-CD1 4.44Å; V301-L326 HydrophobicContact CG2-CD1 3.89Å |
| 302 | P | 92.8 | Very high | 94.5 | Very high | 38 Ų | 38 | 69.9 Ų | 69.9 | 25% | 0.247 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 127.7 | 176.8 | -21 | 33 | 0 | 0 | 0 | 112.6 | F300 Y304 N305 | F300-P302 WeakPolarHBondContact O-CD 3.3Å; P302-Y304 HydrophobicContact CB-CD1 3.79Å; P302-Y304 HydrophobicContact CB-CE1 3.38Å; P302-Y304 HydrophobicContact CB-CE2 4.26Å; P302-Y304 HydrophobicContact CB-CG 4.38Å; P302-Y304 HydrophobicContact CG-CE1 4.31Å; P302-Y304 PolarHBondContact O-N 2.85Å; P302-N305 PolarHBondContact O-N 3.09Å |
| 303 | L | 90.6 | Very high | 94.3 | Very high | 94 Ų | 94 | 74.6 Ų | 74.6 | 49% | 0.492 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -1.5 | -177.7 | -57.3 | -179.7 | 0 | 0 | 0 | 115 | F300 V301 F306 | F300-L303 HydrophobicContact CZ-CD2 4.5Å; F300-L303 HydrophobicContact CZ-CG 4.08Å; V301-L303 PolarHBondContact O-N 3.21Å; L303-F306 HydrophobicContact CD2-CE1 3.83Å; L303-F306 HydrophobicContact CD2-CZ 3.64Å |
| 304 | Y | 91.8 | Very high | 94.1 | Very high | 197 Ų | 197 | 81.8 Ų | 81.8 | 77% | 0.773 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -9.1 | 172.8 | 63.7 | -102.8 | 0 | 0 | 0 | 113.3 | P302 | P302-Y304 HydrophobicContact CB-CD1 3.79Å; P302-Y304 HydrophobicContact CB-CE1 3.38Å; P302-Y304 HydrophobicContact CB-CE2 4.26Å; P302-Y304 HydrophobicContact CB-CG 4.38Å; P302-Y304 HydrophobicContact CG-CE1 4.31Å; P302-Y304 PolarHBondContact O-N 2.85Å |
| 305 | N | 94.8 | Very high | 94.2 | Very high | 57 Ų | 57 | 83.4 Ų | 83.4 | 31% | 0.305 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -86.1 | -16.8 | 177 | -71.5 | -8.6 | 0 | 0 | 0 | 113.1 | P302 H318 F322 | P302-N305 PolarHBondContact O-N 3.09Å; N305-H318 PolarHBondContact O-NE2 2.75Å; N305-F322 HydrophobicContact CB-CD1 4.5Å; N305-F322 HydrophobicContact CB-CE1 3.71Å; N305-F322 HydrophobicContact CB-CE2 4.2Å; N305-F322 HydrophobicContact CB-CZ 3.55Å |
| 306 | F | 97.5 | Very high | 94.3 | Very high | 7 Ų | 7 | 84.8 Ų | 84.8 | 3% | 0.031 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -146.8 | 155.9 | -175.9 | 75.9 | -81.4 | 0 | 0 | 0 | 111.2 | V287 V290 L291 V301 L303 L308 N319 F322 | V287-F306 HydrophobicContact CG1-CE2 4.35Å; V290-F306 HydrophobicContact CB-CD2 4.35Å; V290-F306 HydrophobicContact CB-CG 4.47Å; V290-F306 HydrophobicContact CG1-CB 4.44Å; V290-F306 HydrophobicContact CG1-CD1 3.73Å; V290-F306 HydrophobicContact CG1-CD2 4.08Å; V290-F306 HydrophobicContact CG1-CE1 3.86Å; V290-F306 HydrophobicContact CG1-CE2 4.22Å; V290-F306 HydrophobicContact CG1-CG 3.83Å; V290-F306 HydrophobicContact CG1-CZ 4.11Å; V290-F306 HydrophobicContact CG2-CB 4.46Å; V290-F306 HydrophobicContact CG2-CG 4.48Å; L291-F306 HydrophobicContact CD2-CZ 4.11Å; V301-F306 HydrophobicContact CB-CE1 4.13Å; V301-F306 HydrophobicContact CG1-CD1 3.68Å; V301-F306 HydrophobicContact CG1-CE1 3.64Å; L303-F306 HydrophobicContact CD2-CE1 3.83Å; L303-F306 HydrophobicContact CD2-CZ 3.64Å; F306-L308 HydrophobicContact CE2-CD1 4.04Å; F306-L308 HydrophobicContact CZ-CD1 4.36Å; F306-L308 PolarHBondContact O-N 2.8Å; F306-N319 WeakPolarHBondContact CB-OD1 3.04Å; F306-F322 HydrophobicContact CB-CD1 3.95Å; F306-F322 HydrophobicContact CB-CE1 4.27Å; F306-F322 HydrophobicContact CD1-CE1 4.43Å |
| 307 | F | 97.5 | Very high | 94.3 | Very high | 84 Ų | 84 | 85.3 Ų | 85.3 | 37% | 0.368 | 41% | 0.411 | S | S | . | . | trans | -85.9 | 107.2 | -179.2 | -60.4 | -84.4 | 0 | 0 | 0 | 109.8 | V287 T309 P310 Q315 H318 N319 | V287-F307 WeakPolarHBondContact CG2-O 3.47Å; F307-T309 PolarHBondContact O-N 3.47Å; F307-P310 HydrophobicContact CB-CB 3.96Å; F307-P310 WeakPolarHBondContact O-CD 3.21Å; F307-Q315 HydrophobicContact CB-CB 4.24Å; F307-Q315 HydrophobicContact CD1-CB 4.41Å; F307-Q315 HydrophobicContact CD1-CG 3.88Å; F307-Q315 HydrophobicContact CD2-CB 3.67Å; F307-Q315 HydrophobicContact CD2-CG 3.75Å; F307-Q315 HydrophobicContact CE1-CG 3.93Å; F307-Q315 HydrophobicContact CE2-CB 4.14Å; F307-Q315 HydrophobicContact CE2-CG 3.81Å; F307-Q315 HydrophobicContact CG-CB 3.84Å; F307-Q315 HydrophobicContact CG-CG 3.8Å; F307-Q315 HydrophobicContact CZ-CG 3.9Å; F307-H318 HydrophobicContact CD2-CB 4.47Å; F307-H318 AromaticContact CD2-CD2 3.81Å; F307-H318 HydrophobicContact CE2-CB 4.23Å; F307-H318 AromaticContact CE2-CD2 3.7Å; F307-H318 AromaticContact CE2-CG 3.91Å; F307-N319 PolarHBondContact N-OD1 3.39Å; F307-N319 PolarHBondContact O-ND2 2.65Å | ||
| 308 | L | 95.2 | Very high | 94.5 | Very high | 90 Ų | 90 | 85.8 Ų | 85.8 | 47% | 0.471 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -64.5 | -24.5 | 178.3 | -172.5 | 63.2 | 0 | 0 | 0 | 113.1 | V287 F306 | V287-L308 HydrophobicContact CG1-CD1 4.01Å; F306-L308 HydrophobicContact CE2-CD1 4.04Å; F306-L308 HydrophobicContact CZ-CD1 4.36Å; F306-L308 PolarHBondContact O-N 2.8Å |
| 309 | T | 95.8 | Very high | 94.8 | Very high | 114 Ų | 114 | 78.4 Ų | 78.4 | 70% | 0.699 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -134.7 | 79.1 | 175.9 | 54.1 | 0 | 0 | 0 | 0 | 109.6 | F307 E311 | F307-T309 PolarHBondContact O-N 3.47Å; T309-E311 PolarHBondContact O-N 3.31Å |
| 310 | P | 95.3 | Very high | 95 | Very high | 16 Ų | 16 | 74.3 Ų | 74.3 | 10% | 0.104 | 36% | 0.358 | C | S | . | . | trans | -79 | 114.5 | -173 | 31.4 | -33.7 | 0 | 0 | 0 | 111.4 | D285 V287 F307 Q315 K316 | D285-P310 HydrophobicContact CB-CG 3.74Å; V287-P310 HydrophobicContact CG2-CG 4.2Å; F307-P310 HydrophobicContact CB-CB 3.96Å; F307-P310 WeakPolarHBondContact O-CD 3.21Å; P310-Q315 HydrophobicContact CB-CB 3.67Å; P310-K316 HydrophobicContact CB-CG 3.72Å; P310-K316 HydrophobicContact CG-CG 3.77Å; P310-K316 WeakPolarHBondContact O-CE 3.45Å | ||
| 311 | E | 93.4 | Very high | 95.1 | Very high | 172 Ų | 172 | 68.3 Ų | 68.3 | 80% | 0.804 | 34% | 0.337 | S | S | * | . | trans | -81.5 | -33.8 | -173.4 | -58.7 | -173.5 | 151.1 | 0 | 0 | 112.6 | T309 | T309-E311 PolarHBondContact O-N 3.31Š| ||
| 312 | N | 94.1 | Very high | 95.2 | Very high | 67 Ų | 67 | 69.1 Ų | 69.1 | 36% | 0.358 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -119 | 172.9 | -173.3 | 71.7 | 42.2 | 0 | 0 | 0 | 112.8 | E314 Q315 K316 | N312-E314 PolarHBondContact OD1-N 3.22Å; N312-E314 VanDerWaalsContact OD1-N 3.12Å; N312-Q315 WeakPolarHBondContact OD1-CG 3.19Å; N312-Q315 PolarHBondContact OD1-N 2.95Å; N312-K316 WeakPolarHBondContact O-CG 3.35Å; N312-K316 PolarHBondContact O-N 2.89Å |
| 313 | F | 91.8 | Very high | 95.4 | Very high | 99 Ų | 99 | 67.3 Ų | 67.3 | 43% | 0.434 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.2 | -42 | -177 | -176.5 | -97.1 | 0 | 0 | 0 | 112.7 | Q315 K316 V317 E340 V343 N344 | F313-Q315 PolarHBondContact O-N 3.49Å; F313-K316 PolarHBondContact O-N 2.99Å; F313-V317 HydrophobicContact CD1-CG2 3.89Å; F313-V317 HydrophobicContact CE1-CG2 3.46Å; F313-V317 VanDerWaalsContact CE1-CG2 3.46Å; F313-V317 HydrophobicContact CE2-CG2 4.42Å; F313-V317 HydrophobicContact CZ-CG2 3.75Å; F313-V317 WeakPolarHBondContact O-CG2 3.46Å; F313-V317 PolarHBondContact O-N 2.9Å; F313-E340 HydrophobicContact CE1-CG 4.39Å; F313-E340 HydrophobicContact CZ-CB 4.21Å; F313-E340 HydrophobicContact CZ-CG 4.3Å; F313-V343 HydrophobicContact CD2-CG1 3.57Å; F313-V343 HydrophobicContact CE2-CB 4.02Å; F313-V343 HydrophobicContact CE2-CG1 3.45Å; F313-V343 VanDerWaalsContact CE2-CG1 3.45Å; F313-V343 HydrophobicContact CG-CG1 4.49Å; F313-V343 HydrophobicContact CZ-CG1 4.29Å; F313-N344 WeakPolarHBondContact CE2-ND2 3.38Å; F313-N344 WeakPolarHBondContact CZ-ND2 3.42Å |
| 314 | E | 92.5 | Very high | 95.7 | Very high | 151 Ų | 151 | 63.2 Ų | 63.2 | 71% | 0.706 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -62.8 | -42.1 | -178.3 | -65.3 | 161.2 | -164.5 | 0 | 0 | 111.9 | N312 K316 V317 H318 | N312-E314 PolarHBondContact OD1-N 3.22Å; N312-E314 VanDerWaalsContact OD1-N 3.12Å; E314-K316 VanDerWaalsContact C-N 3.3Å; E314-K316 PolarHBondContact O-N 3.2Å; E314-V317 PolarHBondContact O-N 3.43Å; E314-H318 WeakPolarHBondContact O-CB 3.38Å; E314-H318 PolarHBondContact O-N 3.34Å |
| 315 | Q | 97.2 | Very high | 95.8 | Very high | 39 Ų | 39 | 59 Ų | 59 | 18% | 0.182 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.4 | -34.1 | 175.7 | -70.9 | 175.1 | -10.3 | 0 | 0 | 112.6 | F307 P310 N312 F313 N319 | F307-Q315 HydrophobicContact CB-CB 4.24Å; F307-Q315 HydrophobicContact CD1-CB 4.41Å; F307-Q315 HydrophobicContact CD1-CG 3.88Å; F307-Q315 HydrophobicContact CD2-CB 3.67Å; F307-Q315 HydrophobicContact CD2-CG 3.75Å; F307-Q315 HydrophobicContact CE1-CG 3.93Å; F307-Q315 HydrophobicContact CE2-CB 4.14Å; F307-Q315 HydrophobicContact CE2-CG 3.81Å; F307-Q315 HydrophobicContact CG-CB 3.84Å; F307-Q315 HydrophobicContact CG-CG 3.8Å; F307-Q315 HydrophobicContact CZ-CG 3.9Å; P310-Q315 HydrophobicContact CB-CB 3.67Å; N312-Q315 WeakPolarHBondContact OD1-CG 3.19Å; N312-Q315 PolarHBondContact OD1-N 2.95Å; F313-Q315 PolarHBondContact O-N 3.49Å; Q315-N319 PolarHBondContact O-N 3.44Å; Q315-N319 VanDerWaalsContact O-N 3.08Å; Q315-N319 PolarHBondContact O-OD1 3.26Å |
| 316 | K | 97.7 | Very high | 95.9 | Very high | 67 Ų | 67 | 56.9 Ų | 56.9 | 29% | 0.291 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -73.3 | -41.8 | 175.5 | -63.3 | 179.8 | -176 | -174.6 | 0 | 111.5 | D285 P310 N312 F313 E314 H318 N319 V320 V343 | D285-K316 HydrophobicContact CB-CD 4.35Å; D285-K316 HydrophobicContact CB-CG 4.27Å; P310-K316 HydrophobicContact CB-CG 3.72Å; P310-K316 HydrophobicContact CG-CG 3.77Å; P310-K316 WeakPolarHBondContact O-CE 3.45Å; N312-K316 WeakPolarHBondContact O-CG 3.35Å; N312-K316 PolarHBondContact O-N 2.89Å; F313-K316 PolarHBondContact O-N 2.99Å; E314-K316 VanDerWaalsContact C-N 3.3Å; E314-K316 PolarHBondContact O-N 3.2Å; K316-H318 VanDerWaalsContact C-N 3.35Å; K316-N319 PolarHBondContact O-N 2.85Å; K316-V320 WeakPolarHBondContact O-CG2 3.5Å; K316-V320 PolarHBondContact O-N 2.87Å; K316-V343 HydrophobicContact CB-CB 4.43Å; K316-V343 HydrophobicContact CB-CG1 3.65Å; K316-V343 HydrophobicContact CB-CG2 3.8Å; K316-V343 HydrophobicContact CD-CG1 4.18Å |
| 317 | V | 95.9 | Very high | 95.8 | Very high | 24 Ų | 24 | 56.6 Ų | 56.6 | 15% | 0.145 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.5 | -45.5 | 173.9 | 167.1 | 0 | 0 | 0 | 0 | 110.4 | F313 E314 N319 V320 A321 P339 E340 V343 | F313-V317 HydrophobicContact CD1-CG2 3.89Å; F313-V317 HydrophobicContact CE1-CG2 3.46Å; F313-V317 VanDerWaalsContact CE1-CG2 3.46Å; F313-V317 HydrophobicContact CE2-CG2 4.42Å; F313-V317 HydrophobicContact CZ-CG2 3.75Å; F313-V317 WeakPolarHBondContact O-CG2 3.46Å; F313-V317 PolarHBondContact O-N 2.9Å; E314-V317 PolarHBondContact O-N 3.43Å; V317-N319 PolarHBondContact O-N 3.3Å; V317-V320 PolarHBondContact O-N 2.88Å; V317-A321 VanDerWaalsContact O-CB 3.27Å; V317-A321 WeakPolarHBondContact O-CB 3.46Å; V317-A321 PolarHBondContact O-N 3.5Å; V317-P339 HydrophobicContact CG1-CB 4.19Å; V317-E340 HydrophobicContact CG1-CG 4.47Å; V317-E340 HydrophobicContact CG2-CG 4.06Å; V317-V343 HydrophobicContact CG2-CB 4.37Å; V317-V343 HydrophobicContact CG2-CG2 3.99Å |
| 318 | H | 97.3 | Very high | 95.6 | Very high | 81 Ų | 81 | 56.2 Ų | 56.2 | 38% | 0.375 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -54.4 | -51.2 | 172.8 | 176.5 | 87.5 | 0 | 0 | 0 | 111.9 | N305 F307 E314 K316 V320 A321 F322 | N305-H318 PolarHBondContact O-NE2 2.75Å; F307-H318 HydrophobicContact CD2-CB 4.47Å; F307-H318 AromaticContact CD2-CD2 3.81Å; F307-H318 HydrophobicContact CE2-CB 4.23Å; F307-H318 AromaticContact CE2-CD2 3.7Å; F307-H318 AromaticContact CE2-CG 3.91Å; E314-H318 WeakPolarHBondContact O-CB 3.38Å; E314-H318 PolarHBondContact O-N 3.34Å; K316-H318 VanDerWaalsContact C-N 3.35Å; H318-V320 PolarHBondContact O-N 3.41Å; H318-A321 PolarHBondContact O-N 3.07Å; H318-F322 VanDerWaalsContact O-CB 3.29Å; H318-F322 WeakPolarHBondContact O-CB 3.43Å; H318-F322 PolarHBondContact O-N 2.69Å |
| 319 | N | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.5 | -43.2 | 179.6 | -73.3 | -5.9 | 0 | 0 | 0 | 112.8 | D285 V290 F306 F307 Q315 K316 V317 A323 | D285-N319 VanDerWaalsContact O-CB 3.24Å; D285-N319 WeakPolarHBondContact O-CB 3.32Å; D285-N319 PolarHBondContact O-ND2 2.8Å; V290-N319 WeakPolarHBondContact CG2-O 3.44Å; F306-N319 WeakPolarHBondContact CB-OD1 3.04Å; F307-N319 PolarHBondContact N-OD1 3.39Å; F307-N319 PolarHBondContact O-ND2 2.65Å; Q315-N319 PolarHBondContact O-N 3.44Å; Q315-N319 VanDerWaalsContact O-N 3.08Å; Q315-N319 PolarHBondContact O-OD1 3.26Å; K316-N319 PolarHBondContact O-N 2.85Å; V317-N319 PolarHBondContact O-N 3.3Å; N319-A323 WeakPolarHBondContact O-CB 3.47Å; N319-A323 PolarHBondContact O-N 2.83Å |
| 320 | V | 97.6 | Very high | 95 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -70.9 | -40.4 | 178.6 | 179.1 | 0 | 0 | 0 | 0 | 111.3 | L289 K316 V317 H318 A323 F324 P339 V342 V343 | L289-V320 HydrophobicContact CD1-CG1 4.09Å; L289-V320 HydrophobicContact CD1-CG2 4.37Å; K316-V320 WeakPolarHBondContact O-CG2 3.5Å; K316-V320 PolarHBondContact O-N 2.87Å; V317-V320 PolarHBondContact O-N 2.88Å; H318-V320 PolarHBondContact O-N 3.41Å; V320-A323 WeakPolarHBondContact O-CB 3.43Å; V320-A323 PolarHBondContact O-N 3.23Å; V320-F324 HydrophobicContact CG1-CD1 4.3Å; V320-F324 HydrophobicContact CG1-CE1 3.64Å; V320-F324 HydrophobicContact CG1-CE2 4.04Å; V320-F324 HydrophobicContact CG1-CZ 3.49Å; V320-F324 VanDerWaalsContact CG1-CZ 3.49Å; V320-F324 VanDerWaalsContact O-CD1 3.32Å; V320-F324 WeakPolarHBondContact O-CD1 3.49Å; V320-F324 WeakPolarHBondContact O-CG 3.41Å; V320-F324 PolarHBondContact O-N 3.19Å; V320-P339 HydrophobicContact CB-CB 4.02Å; V320-P339 HydrophobicContact CG1-CB 3.93Å; V320-V342 HydrophobicContact CG1-CB 4.03Å; V320-V342 HydrophobicContact CG1-CG1 4.28Å; V320-V342 HydrophobicContact CG1-CG2 4.17Å; V320-V342 HydrophobicContact CG2-CB 4.39Å; V320-V342 HydrophobicContact CG2-CG1 4.12Å; V320-V343 HydrophobicContact CG2-CG2 3.91Å |
| 321 | A | 95.9 | Very high | 94.8 | Very high | 30 Ų | 30 | 56.4 Ų | 56.4 | 25% | 0.248 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.9 | -48.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | V317 H318 A323 F324 E325 P339 | V317-A321 VanDerWaalsContact O-CB 3.27Å; V317-A321 WeakPolarHBondContact O-CB 3.46Å; V317-A321 PolarHBondContact O-N 3.5Å; H318-A321 PolarHBondContact O-N 3.07Å; A321-A323 VanDerWaalsContact C-N 3.33Å; A321-A323 PolarHBondContact O-N 3.41Å; A321-F324 CarbonylContact O-C 3.59Å; A321-F324 WeakPolarHBondContact O-CA 3.44Å; A321-F324 WeakPolarHBondContact O-CB 3.21Å; A321-F324 PolarHBondContact O-N 3.32Å; A321-E325 PolarHBondContact O-N 3.38Å; A321-P339 HydrophobicContact CB-CB 4.24Å; A321-P339 HydrophobicContact CB-CG 3.83Å |
| 322 | F | 97.3 | Very high | 94.6 | Very high | 25 Ų | 25 | 49.1 Ų | 49.1 | 11% | 0.11 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.4 | -38.8 | 175.4 | 178.9 | -120.6 | 0 | 0 | 0 | 112 | V290 V301 N305 F306 H318 F324 E325 L326 | V290-F322 HydrophobicContact CG1-CD1 4.26Å; V290-F322 HydrophobicContact CG1-CE1 4.1Å; V290-F322 HydrophobicContact CG2-CD1 4.04Å; V301-F322 HydrophobicContact CG1-CE1 3.66Å; V301-F322 HydrophobicContact CG1-CZ 4.09Å; N305-F322 HydrophobicContact CB-CD1 4.5Å; N305-F322 HydrophobicContact CB-CE1 3.71Å; N305-F322 HydrophobicContact CB-CE2 4.2Å; N305-F322 HydrophobicContact CB-CZ 3.55Å; F306-F322 HydrophobicContact CB-CD1 3.95Å; F306-F322 HydrophobicContact CB-CE1 4.27Å; F306-F322 HydrophobicContact CD1-CE1 4.43Å; H318-F322 VanDerWaalsContact O-CB 3.29Å; H318-F322 WeakPolarHBondContact O-CB 3.43Å; H318-F322 PolarHBondContact O-N 2.69Å; F322-F324 VanDerWaalsContact C-N 3.26Å; F322-F324 PolarHBondContact O-N 2.79Å; F322-E325 WeakPolarHBondContact O-CB 3.29Å; F322-E325 PolarHBondContact O-N 3.05Å; F322-E325 VanDerWaalsContact O-N 3.13Å; F322-L326 HydrophobicContact CD1-CD1 4.35Å; F322-L326 HydrophobicContact CE1-CD1 3.87Å; F322-L326 HydrophobicContact CE1-CG 4.28Å; F322-L326 HydrophobicContact CE2-CD2 3.95Å; F322-L326 HydrophobicContact CE2-CG 4.17Å; F322-L326 HydrophobicContact CZ-CD1 4.01Å; F322-L326 HydrophobicContact CZ-CD2 3.81Å; F322-L326 HydrophobicContact CZ-CG 4.01Å; F322-L326 WeakPolarHBondContact O-CG 3.4Å; F322-L326 PolarHBondContact O-N 2.88Å |
| 323 | A | 97.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.1 | -33.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L289 V290 N319 V320 A321 M327 | L289-A323 HydrophobicContact CB-CB 3.65Å; V290-A323 HydrophobicContact CG2-CB 3.86Å; N319-A323 WeakPolarHBondContact O-CB 3.47Å; N319-A323 PolarHBondContact O-N 2.83Å; V320-A323 WeakPolarHBondContact O-CB 3.43Å; V320-A323 PolarHBondContact O-N 3.23Å; A321-A323 VanDerWaalsContact C-N 3.33Å; A321-A323 PolarHBondContact O-N 3.41Å; A323-M327 HydrophobicContact CB-CE 4.34Å; A323-M327 VanDerWaalsContact O-CG 3.28Å; A323-M327 WeakPolarHBondContact O-CG 3.49Å; A323-M327 PolarHBondContact O-N 2.63Å; A323-M327 VanDerWaalsContact O-N 3.11Å |
| 324 | F | 95.9 | Very high | 93.3 | Very high | 8 Ų | 8 | 57 Ų | 57 | 4% | 0.035 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -75.5 | -26.7 | 175.3 | -63.5 | -3.6 | 0 | 0 | 0 | 112.7 | L289 V320 A321 F322 M327 Q328 P335 A337 P339 V342 V353 | L289-F324 HydrophobicContact CD1-CE1 4.33Å; V320-F324 HydrophobicContact CG1-CD1 4.3Å; V320-F324 HydrophobicContact CG1-CE1 3.64Å; V320-F324 HydrophobicContact CG1-CE2 4.04Å; V320-F324 HydrophobicContact CG1-CZ 3.49Å; V320-F324 VanDerWaalsContact CG1-CZ 3.49Å; V320-F324 VanDerWaalsContact O-CD1 3.32Å; V320-F324 WeakPolarHBondContact O-CD1 3.49Å; V320-F324 WeakPolarHBondContact O-CG 3.41Å; V320-F324 PolarHBondContact O-N 3.19Å; A321-F324 CarbonylContact O-C 3.59Å; A321-F324 WeakPolarHBondContact O-CA 3.44Å; A321-F324 WeakPolarHBondContact O-CB 3.21Å; A321-F324 PolarHBondContact O-N 3.32Å; F322-F324 VanDerWaalsContact C-N 3.26Å; F322-F324 PolarHBondContact O-N 2.79Å; F324-M327 HydrophobicContact CD1-CE 4.11Å; F324-M327 HydrophobicContact CD1-SD 4.06Å; F324-Q328 WeakPolarHBondContact O-CG 3.3Å; F324-Q328 PolarHBondContact O-N 3.25Å; F324-Q328 PolarHBondContact O-NE2 2.77Å; F324-P335 HydrophobicContact CB-CG 4.19Å; F324-P335 HydrophobicContact CD1-CB 4.32Å; F324-P335 HydrophobicContact CD1-CG 3.75Å; F324-P335 HydrophobicContact CD2-CB 4.2Å; F324-P335 HydrophobicContact CD2-CG 4.2Å; F324-P335 HydrophobicContact CE1-CB 4.31Å; F324-P335 HydrophobicContact CE1-CG 4.15Å; F324-P335 HydrophobicContact CE2-CB 4.18Å; F324-P335 HydrophobicContact CG-CB 4.28Å; F324-P335 HydrophobicContact CG-CG 3.78Å; F324-P335 HydrophobicContact CZ-CB 4.24Å; F324-A337 VanDerWaalsContact CE2-O 3.28Å; F324-A337 WeakPolarHBondContact CE2-O 3.49Å; F324-A337 HydrophobicContact CZ-CB 4.4Å; F324-P339 HydrophobicContact CD2-CG 4.07Å; F324-P339 HydrophobicContact CE2-CG 4.01Å; F324-V342 HydrophobicContact CZ-CG2 4.16Å; F324-V353 HydrophobicContact CE1-CB 4.49Å; F324-V353 HydrophobicContact CE1-CG1 3.96Å; F324-V353 HydrophobicContact CE1-CG2 3.64Å; F324-V353 HydrophobicContact CZ-CG2 3.69Å |
| 325 | E | 94.7 | Very high | 92.9 | Very high | 107 Ų | 107 | 50.5 Ų | 50.5 | 50% | 0.5 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -66.8 | -51.1 | 168.4 | -67.2 | 173 | 169.1 | 0 | 0 | 110.2 | A321 F322 M327 Q328 D329 | A321-E325 PolarHBondContact O-N 3.38Å; F322-E325 WeakPolarHBondContact O-CB 3.29Å; F322-E325 PolarHBondContact O-N 3.05Å; F322-E325 VanDerWaalsContact O-N 3.13Å; E325-M327 PolarHBondContact O-N 3.47Å; E325-M327 VanDerWaalsContact O-N 3.15Å; E325-Q328 WeakPolarHBondContact O-CA 3.12Å; E325-Q328 WeakPolarHBondContact O-CB 3.08Å; E325-Q328 PolarHBondContact O-N 3.32Å; E325-D329 PolarHBondContact O-N 3.2Å |
| 326 | L | 95.7 | Very high | 92 | Very high | 14 Ų | 14 | 54.3 Ų | 54.3 | 7% | 0.073 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -55.9 | -33.4 | 175.3 | -64.5 | -177.4 | 0 | 0 | 0 | 113.2 | V290 M293 V301 F322 G330 | V290-L326 HydrophobicContact CG1-CD1 4.21Å; M293-L326 HydrophobicContact CB-CB 4.17Å; M293-L326 HydrophobicContact CB-CD1 4.25Å; M293-L326 HydrophobicContact CG-CB 4.28Å; V301-L326 HydrophobicContact CG1-CD1 4.44Å; V301-L326 HydrophobicContact CG2-CD1 3.89Å; F322-L326 HydrophobicContact CD1-CD1 4.35Å; F322-L326 HydrophobicContact CE1-CD1 3.87Å; F322-L326 HydrophobicContact CE1-CG 4.28Å; F322-L326 HydrophobicContact CE2-CD2 3.95Å; F322-L326 HydrophobicContact CE2-CG 4.17Å; F322-L326 HydrophobicContact CZ-CD1 4.01Å; F322-L326 HydrophobicContact CZ-CD2 3.81Å; F322-L326 HydrophobicContact CZ-CG 4.01Å; F322-L326 WeakPolarHBondContact O-CG 3.4Å; F322-L326 PolarHBondContact O-N 2.88Å; L326-G330 PolarHBondContact O-N 3.05Å |
| 327 | M | 95.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.8 | -40.7 | 172.3 | -73.3 | 170.7 | -151.7 | 0 | 0 | 112.8 | M293 A323 F324 E325 G330 G331 L332 P335 V353 L357 | M293-M327 HydrophobicContact CE-CG 4.06Å; M293-M327 HydrophobicContact CG-CE 4.01Å; M293-M327 HydrophobicContact CG-CG 4Å; M293-M327 HydrophobicContact SD-CB 4.49Å; M293-M327 HydrophobicContact SD-CE 4.11Å; M293-M327 HydrophobicContact SD-CG 3.42Å; M293-M327 WeakPolarHBondContact SD-CG 3.22Å; A323-M327 HydrophobicContact CB-CE 4.34Å; A323-M327 VanDerWaalsContact O-CG 3.28Å; A323-M327 WeakPolarHBondContact O-CG 3.49Å; A323-M327 PolarHBondContact O-N 2.63Å; A323-M327 VanDerWaalsContact O-N 3.11Å; F324-M327 HydrophobicContact CD1-CE 4.11Å; F324-M327 HydrophobicContact CD1-SD 4.06Å; E325-M327 PolarHBondContact O-N 3.47Å; E325-M327 VanDerWaalsContact O-N 3.15Å; M327-G330 CarbonylContact O-C 3.11Å; M327-G330 PolarHBondContact O-N 2.74Å; M327-G331 PolarHBondContact O-N 3.45Å; M327-L332 HydrophobicContact CB-CB 4.43Å; M327-L332 VanDerWaalsContact O-CB 3.31Å; M327-L332 WeakPolarHBondContact O-CB 3.16Å; M327-L332 PolarHBondContact O-N 2.84Å; M327-P335 HydrophobicContact SD-CG 3.73Å; M327-V353 HydrophobicContact CE-CG1 3.78Å; M327-V353 HydrophobicContact SD-CG1 4.21Å; M327-L357 HydrophobicContact CE-CD1 4.13Å; M327-L357 HydrophobicContact CE-CD2 4.14Å; M327-L357 HydrophobicContact CE-CG 4.43Å; M327-L357 HydrophobicContact CG-CD2 4.01Å; M327-L357 HydrophobicContact SD-CD2 4.07Å |
| 328 | Q | 92.8 | Very high | 90.8 | Very high | 77 Ų | 77 | 51.8 Ų | 51.8 | 36% | 0.36 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -72.2 | -37.1 | 179.1 | -70.6 | 165.2 | 103.7 | 0 | 0 | 111.5 | F324 E325 G330 G331 K334 | F324-Q328 WeakPolarHBondContact O-CG 3.3Å; F324-Q328 PolarHBondContact O-N 3.25Å; F324-Q328 PolarHBondContact O-NE2 2.77Å; E325-Q328 WeakPolarHBondContact O-CA 3.12Å; E325-Q328 WeakPolarHBondContact O-CB 3.08Å; E325-Q328 PolarHBondContact O-N 3.32Å; Q328-G330 VanDerWaalsContact C-N 3.33Å; Q328-G331 WeakPolarHBondContact O-CA 3.31Å; Q328-G331 PolarHBondContact O-N 3.04Å; Q328-K334 HydrophobicContact CG-CB 4.02Å; Q328-K334 HydrophobicContact CG-CG 4.42Å |
| 329 | D | 91.4 | Very high | 90.5 | Very high | 136 Ų | 136 | 49 Ų | 49 | 73% | 0.727 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -65.4 | -36.5 | 173.5 | -70.6 | -17.3 | 0 | 0 | 0 | 111.8 | E325 G331 | E325-D329 PolarHBondContact O-N 3.2Å; D329-G331 PolarHBondContact O-N 2.88Å; D329-G331 VanDerWaalsContact O-N 3.17Å |
| 330 | G | 88.9 | Confident | 90.1 | Very high | 21 Ų | 21 | 50.6 Ų | 50.6 | 22% | 0.216 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | 6.1 | 166.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | L326 M327 Q328 L332 | L326-G330 PolarHBondContact O-N 3.05Å; M327-G330 CarbonylContact O-C 3.11Å; M327-G330 PolarHBondContact O-N 2.74Å; Q328-G330 VanDerWaalsContact C-N 3.33Å; G330-L332 PolarHBondContact O-N 2.98Å |
| 331 | G | 89.4 | Confident | 89.6 | Confident | 67 Ų | 67 | 51.3 Ų | 51.3 | 69% | 0.691 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.7 | 7.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | M327 Q328 D329 | M327-G331 PolarHBondContact O-N 3.45Å; Q328-G331 WeakPolarHBondContact O-CA 3.31Å; Q328-G331 PolarHBondContact O-N 3.04Å; D329-G331 PolarHBondContact O-N 2.88Å; D329-G331 VanDerWaalsContact O-N 3.17Å |
| 332 | L | 89.1 | Confident | 89.4 | Confident | 18 Ų | 18 | 49.9 Ų | 49.9 | 9% | 0.094 | 26% | 0.258 | C | S | . | . | trans | -75.6 | 152.9 | 174 | -77 | 67.1 | 0 | 0 | 0 | 110.6 | M327 G330 K334 L357 N360 Y361 | M327-L332 HydrophobicContact CB-CB 4.43Å; M327-L332 VanDerWaalsContact O-CB 3.31Å; M327-L332 WeakPolarHBondContact O-CB 3.16Å; M327-L332 PolarHBondContact O-N 2.84Å; G330-L332 PolarHBondContact O-N 2.98Å; L332-K334 PolarHBondContact O-N 3.13Å; L332-L357 HydrophobicContact CD2-CD2 3.87Å; L332-N360 HydrophobicContact CD2-CB 4.47Å; L332-Y361 HydrophobicContact CD1-CE2 3.76Å; L332-Y361 VanDerWaalsContact CD1-OH 3.29Å; L332-Y361 WeakPolarHBondContact CD1-OH 3.44Å; L332-Y361 HydrophobicContact CD2-CE2 3.91Å; L332-Y361 HydrophobicContact CG-CE2 4.47Å | ||
| 333 | K | 81.1 | Confident | 89.3 | Confident | 186 Ų | 186 | 49.4 Ų | 49.4 | 81% | 0.809 | 26% | 0.258 | S | S | * | . | trans | -62.3 | 134.6 | 167.7 | -65.1 | -175.2 | 179.2 | -176.7 | 0 | 109.5 | ||||
| 334 | K | 79.1 | Confident | 89 | Confident | 146 Ų | 146 | 53 Ų | 53 | 64% | 0.635 | 28% | 0.277 | S | S | * | . | trans | -44.9 | 128.1 | 173.3 | -171.2 | 174.6 | -178.1 | 173.4 | 0 | 110.3 | Q328 L332 | Q328-K334 HydrophobicContact CG-CB 4.02Å; Q328-K334 HydrophobicContact CG-CG 4.42Å; L332-K334 PolarHBondContact O-N 3.13Å | ||
| 335 | P | 83.9 | Confident | 88.7 | Confident | 14 Ų | 14 | 57.5 Ų | 57.5 | 9% | 0.091 | 30% | 0.301 | C | S | . | . | trans | -55 | 141.5 | 177.7 | -29.5 | 37.8 | 0 | 0 | 0 | 112.9 | F324 M327 A337 V353 | F324-P335 HydrophobicContact CB-CG 4.19Å; F324-P335 HydrophobicContact CD1-CB 4.32Å; F324-P335 HydrophobicContact CD1-CG 3.75Å; F324-P335 HydrophobicContact CD2-CB 4.2Å; F324-P335 HydrophobicContact CD2-CG 4.2Å; F324-P335 HydrophobicContact CE1-CB 4.31Å; F324-P335 HydrophobicContact CE1-CG 4.15Å; F324-P335 HydrophobicContact CE2-CB 4.18Å; F324-P335 HydrophobicContact CG-CB 4.28Å; F324-P335 HydrophobicContact CG-CG 3.78Å; F324-P335 HydrophobicContact CZ-CB 4.24Å; M327-P335 HydrophobicContact SD-CG 3.73Å; P335-A337 PolarHBondContact O-N 2.82Å; P335-V353 HydrophobicContact CB-CG2 4.23Å | ||
| 336 | K | 77.1 | Confident | 88.3 | Confident | 120 Ų | 120 | 54.2 Ų | 54.2 | 52% | 0.522 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -72.8 | -14.6 | 173.1 | -75.8 | -168.9 | 174.9 | -173.1 | 0 | 113.4 | ||
| 337 | A | 83.7 | Confident | 87.9 | Confident | 9 Ų | 9 | 55.5 Ų | 55.5 | 7% | 0.074 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -80 | 147.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | F324 P335 V353 | F324-A337 VanDerWaalsContact CE2-O 3.28Å; F324-A337 WeakPolarHBondContact CE2-O 3.49Å; F324-A337 HydrophobicContact CZ-CB 4.4Å; P335-A337 PolarHBondContact O-N 2.82Å; A337-V353 HydrophobicContact CB-CG2 4.02Å |
| 338 | R | 84.3 | Confident | 87.4 | Confident | 29 Ų | 29 | 56.7 Ų | 56.7 | 11% | 0.109 | 30% | 0.298 | C | S | . | . | trans | -84.8 | 148.9 | 166.7 | -50.6 | 175.7 | -66 | 169.5 | 5.3 | 109.8 | L195 A196 I198 E340 D341 | L195-R338 HydrophobicContact CB-CG 3.99Å; L195-R338 WeakPolarHBondContact O-CD 3.35Å; A196-R338 PolarHBondContact O-NH1 3.39Å; I198-R338 PolarHBondContact O-NH1 2.99Å; R338-E340 WeakPolarHBondContact CB-OE2 3.37Å; R338-E340 PolarHBondContact O-N 2.68Å; R338-D341 VanDerWaalsContact CB-OD2 3.28Å; R338-D341 WeakPolarHBondContact CB-OD2 3.41Å; R338-D341 WeakPolarHBondContact CG-OD2 3.44Å; R338-D341 IonicContact CZ-OD1 2.82Å; R338-D341 IonicContact CZ-OD2 2.76Å; R338-D341 PolarHBondContact N-OD2 2.92Å; R338-D341 IonicContact NE-OD1 2.82Å; R338-D341 PolarHBondContact NE-OD1 3.35Å; R338-D341 IonicContact NE-OD2 2.94Å; R338-D341 PolarHBondContact NE-OD2 3.37Å; R338-D341 IonicContact NH2-OD1 3.68Å; R338-D341 PolarHBondContact NH2-OD1 2.88Å; R338-D341 IonicContact NH2-OD2 3.06Å; R338-D341 PolarHBondContact O-N 3.26Å; R338-D341 VanDerWaalsContact O-N 3.13Å | ||
| 339 | P | 91.1 | Very high | 87.2 | Confident | 23 Ų | 23 | 53.2 Ų | 53.2 | 15% | 0.149 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -54.3 | -41.5 | 176.1 | -27.4 | 36.7 | 0 | 0 | 0 | 112.9 | V317 V320 A321 F324 D341 V342 V343 | V317-P339 HydrophobicContact CG1-CB 4.19Å; V320-P339 HydrophobicContact CB-CB 4.02Å; V320-P339 HydrophobicContact CG1-CB 3.93Å; A321-P339 HydrophobicContact CB-CB 4.24Å; A321-P339 HydrophobicContact CB-CG 3.83Å; F324-P339 HydrophobicContact CD2-CG 4.07Å; F324-P339 HydrophobicContact CE2-CG 4.01Å; P339-D341 VanDerWaalsContact C-N 3.27Å; P339-D341 PolarHBondContact O-N 2.91Å; P339-V342 PolarHBondContact O-N 3.29Å; P339-V343 WeakPolarHBondContact O-CG2 3.32Å; P339-V343 PolarHBondContact O-N 3.18Å; P339-V343 VanDerWaalsContact O-N 3.13Å |
| 340 | E | 89.5 | Confident | 87.2 | Confident | 33 Ų | 33 | 46.8 Ų | 46.8 | 15% | 0.154 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.7 | -32.9 | 179.9 | -57.6 | 74.3 | -163.9 | 0 | 0 | 112.2 | F313 V317 R338 V343 N344 | F313-E340 HydrophobicContact CE1-CG 4.39Å; F313-E340 HydrophobicContact CZ-CB 4.21Å; F313-E340 HydrophobicContact CZ-CG 4.3Å; V317-E340 HydrophobicContact CG1-CG 4.47Å; V317-E340 HydrophobicContact CG2-CG 4.06Å; R338-E340 WeakPolarHBondContact CB-OE2 3.37Å; R338-E340 PolarHBondContact O-N 2.68Å; E340-V343 PolarHBondContact O-N 3.21Å; E340-N344 VanDerWaalsContact O-CB 3.3Å; E340-N344 WeakPolarHBondContact O-CB 3.47Å; E340-N344 PolarHBondContact O-N 3.46Å; E340-N344 PolarHBondContact O-ND2 3.01Å |
| 341 | D | 87.9 | Confident | 87.3 | Confident | 14 Ų | 14 | 45.8 Ų | 45.8 | 8% | 0.075 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -68.1 | -38.8 | 179.5 | -62.8 | -43.9 | 0 | 0 | 0 | 111.1 | R338 P339 N344 N346 S349 | R338-D341 VanDerWaalsContact CB-OD2 3.28Å; R338-D341 WeakPolarHBondContact CB-OD2 3.41Å; R338-D341 WeakPolarHBondContact CG-OD2 3.44Å; R338-D341 IonicContact CZ-OD1 2.82Å; R338-D341 IonicContact CZ-OD2 2.76Å; R338-D341 PolarHBondContact N-OD2 2.92Å; R338-D341 IonicContact NE-OD1 2.82Å; R338-D341 PolarHBondContact NE-OD1 3.35Å; R338-D341 IonicContact NE-OD2 2.94Å; R338-D341 PolarHBondContact NE-OD2 3.37Å; R338-D341 IonicContact NH2-OD1 3.68Å; R338-D341 PolarHBondContact NH2-OD1 2.88Å; R338-D341 IonicContact NH2-OD2 3.06Å; R338-D341 PolarHBondContact O-N 3.26Å; R338-D341 VanDerWaalsContact O-N 3.13Å; P339-D341 VanDerWaalsContact C-N 3.27Å; P339-D341 PolarHBondContact O-N 2.91Å; D341-N344 PolarHBondContact O-N 3.12Å; D341-N346 HydrophobicContact CB-CB 4.17Å; D341-N346 WeakPolarHBondContact O-CB 3.39Å; D341-N346 PolarHBondContact O-N 3.32Å; D341-S349 WeakPolarHBondContact CB-OG 3.42Å |
| 342 | V | 92.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.3 | -43.7 | 175.4 | 179.5 | 0 | 0 | 0 | 0 | 110.5 | A284 L289 V320 F324 P339 N344 L345 V353 | A284-V342 WeakPolarHBondContact CB-O 3.39Å; L289-V342 HydrophobicContact CD1-CG1 4.38Å; V320-V342 HydrophobicContact CG1-CB 4.03Å; V320-V342 HydrophobicContact CG1-CG1 4.28Å; V320-V342 HydrophobicContact CG1-CG2 4.17Å; V320-V342 HydrophobicContact CG2-CB 4.39Å; V320-V342 HydrophobicContact CG2-CG1 4.12Å; F324-V342 HydrophobicContact CZ-CG2 4.16Å; P339-V342 PolarHBondContact O-N 3.29Å; V342-N344 VanDerWaalsContact C-N 3.31Å; V342-N344 PolarHBondContact O-N 3.17Å; V342-L345 PolarHBondContact O-N 3.1Å; V342-L345 VanDerWaalsContact O-N 3.13Å; V342-V353 HydrophobicContact CG2-CG2 4.47Å |
| 343 | V | 93.7 | Very high | 87.4 | Confident | 16 Ų | 16 | 44.2 Ų | 44.2 | 10% | 0.097 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.1 | -32.7 | 177.6 | -178.7 | 0 | 0 | 0 | 0 | 112.1 | A284 F313 K316 V317 V320 P339 E340 L345 | A284-V343 WeakPolarHBondContact O-CA 3.44Å; F313-V343 HydrophobicContact CD2-CG1 3.57Å; F313-V343 HydrophobicContact CE2-CB 4.02Å; F313-V343 HydrophobicContact CE2-CG1 3.45Å; F313-V343 VanDerWaalsContact CE2-CG1 3.45Å; F313-V343 HydrophobicContact CG-CG1 4.49Å; F313-V343 HydrophobicContact CZ-CG1 4.29Å; K316-V343 HydrophobicContact CB-CB 4.43Å; K316-V343 HydrophobicContact CB-CG1 3.65Å; K316-V343 HydrophobicContact CB-CG2 3.8Å; K316-V343 HydrophobicContact CD-CG1 4.18Å; V317-V343 HydrophobicContact CG2-CB 4.37Å; V317-V343 HydrophobicContact CG2-CG2 3.99Å; V320-V343 HydrophobicContact CG2-CG2 3.91Å; P339-V343 WeakPolarHBondContact O-CG2 3.32Å; P339-V343 PolarHBondContact O-N 3.18Å; P339-V343 VanDerWaalsContact O-N 3.13Å; E340-V343 PolarHBondContact O-N 3.21Å; V343-L345 PolarHBondContact O-N 3.15Å |
| 344 | N | 90.9 | Very high | 88 | Confident | 75 Ų | 75 | 35.3 Ų | 35.3 | 40% | 0.401 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 19.2 | 173.3 | -77.2 | -86.3 | 0 | 0 | 0 | 113.7 | F313 E340 D341 V342 N346 | F313-N344 WeakPolarHBondContact CE2-ND2 3.38Å; F313-N344 WeakPolarHBondContact CZ-ND2 3.42Å; E340-N344 VanDerWaalsContact O-CB 3.3Å; E340-N344 WeakPolarHBondContact O-CB 3.47Å; E340-N344 PolarHBondContact O-N 3.46Å; E340-N344 PolarHBondContact O-ND2 3.01Å; D341-N344 PolarHBondContact O-N 3.12Å; V342-N344 VanDerWaalsContact C-N 3.31Å; V342-N344 PolarHBondContact O-N 3.17Å; N344-N346 VanDerWaalsContact C-N 3.25Å; N344-N346 PolarHBondContact O-N 3.07Å |
| 345 | L | 90.8 | Very high | 88.5 | Confident | 103 Ų | 103 | 33.1 Ų | 33.1 | 54% | 0.539 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.8 | 25.4 | 175.6 | -51.9 | 165.6 | 0 | 0 | 0 | 114 | E280 A284 V342 V343 L347 | E280-L345 VanDerWaalsContact O-CD2 3.27Å; E280-L345 WeakPolarHBondContact O-CD2 3.48Å; A284-L345 HydrophobicContact CB-CD2 3.58Å; V342-L345 PolarHBondContact O-N 3.1Å; V342-L345 VanDerWaalsContact O-N 3.13Å; V343-L345 PolarHBondContact O-N 3.15Å; L345-L347 VanDerWaalsContact C-N 3.35Å; L345-L347 PolarHBondContact O-N 3.11Å |
| 346 | N | 86.8 | Confident | 88.7 | Confident | 38 Ų | 38 | 34.3 Ų | 34.3 | 20% | 0.203 | 17% | 0.166 | C | C | . | . | trans | -71.7 | 94 | 173.2 | -172.9 | -75.6 | 0 | 0 | 0 | 109.7 | E232 D341 N344 K348 S349 T350 | E232-N346 PolarHBondContact OE1-ND2 2.97Å; D341-N346 HydrophobicContact CB-CB 4.17Å; D341-N346 WeakPolarHBondContact O-CB 3.39Å; D341-N346 PolarHBondContact O-N 3.32Å; N344-N346 VanDerWaalsContact C-N 3.25Å; N344-N346 PolarHBondContact O-N 3.07Å; N346-K348 PolarHBondContact O-N 3.36Å; N346-K348 VanDerWaalsContact O-N 3.09Å; N346-K348 WeakPolarHBondContact OD1-CB 3.45Å; N346-K348 PolarHBondContact OD1-N 2.97Å; N346-S349 WeakPolarHBondContact O-CB 3.31Å; N346-S349 PolarHBondContact O-N 2.86Å; N346-S349 PolarHBondContact OD1-N 2.97Å; N346-T350 PolarHBondContact O-N 2.8Å; N346-T350 PolarHBondContact O-OG1 3.43Å | ||
| 347 | L | 86.9 | Confident | 89.5 | Confident | 40 Ų | 40 | 28.6 Ų | 28.6 | 21% | 0.209 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -49.3 | -36.4 | 178.7 | 175.7 | 65 | 0 | 0 | 0 | 112.9 | E280 L345 T350 L351 | E280-L347 HydrophobicContact CG-CD1 3.97Å; E280-L347 HydrophobicContact CG-CD2 4.39Å; E280-L347 WeakPolarHBondContact OE1-CD1 3.41Å; L345-L347 VanDerWaalsContact C-N 3.35Å; L345-L347 PolarHBondContact O-N 3.11Å; L347-T350 PolarHBondContact O-N 2.61Å; L347-L351 HydrophobicContact CD1-CD1 3.7Å; L347-L351 HydrophobicContact CD1-CD2 4.25Å; L347-L351 HydrophobicContact CD1-CG 3.72Å; L347-L351 HydrophobicContact CD2-CD1 4.33Å; L347-L351 HydrophobicContact CG-CD1 3.71Å; L347-L351 HydrophobicContact CG-CG 4.14Å; L347-L351 VanDerWaalsContact O-CB 3.28Å; L347-L351 WeakPolarHBondContact O-CB 3.27Å; L347-L351 WeakPolarHBondContact O-CG 3.07Å; L347-L351 PolarHBondContact O-N 2.89Å |
| 348 | K | 84.1 | Confident | 89.9 | Confident | 25 Ų | 25 | 30.4 Ų | 30.4 | 11% | 0.109 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -68.3 | -40.3 | -178.9 | -178.9 | 173.7 | -167.8 | 175 | 0 | 111.7 | D244 L247 N346 R352 | D244-K348 WeakPolarHBondContact OD1-CE 3.49Å; D244-K348 IonicContact OD1-NZ 3.49Å; D244-K348 PolarHBondContact OD1-NZ 3.02Å; L247-K348 HydrophobicContact CD1-CB 4.09Å; L247-K348 HydrophobicContact CD1-CD 3.59Å; L247-K348 HydrophobicContact CD1-CG 3.53Å; N346-K348 PolarHBondContact O-N 3.36Å; N346-K348 VanDerWaalsContact O-N 3.09Å; N346-K348 WeakPolarHBondContact OD1-CB 3.45Å; N346-K348 PolarHBondContact OD1-N 2.97Å; K348-R352 WeakPolarHBondContact O-CB 3.44Å; K348-R352 VanDerWaalsContact O-CG 3.3Å; K348-R352 WeakPolarHBondContact O-CG 3.37Å; K348-R352 PolarHBondContact O-N 3.39Å; K348-R352 VanDerWaalsContact O-N 3.13Å |
| 349 | S | 88.3 | Confident | 90.1 | Very high | 4 Ų | 4 | 31.6 Ų | 31.6 | 3% | 0.028 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.5 | -48.5 | 170 | -78.7 | 0 | 0 | 0 | 0 | 112.1 | D341 N346 L351 R352 V353 | D341-S349 WeakPolarHBondContact CB-OG 3.42Å; N346-S349 WeakPolarHBondContact O-CB 3.31Å; N346-S349 PolarHBondContact O-N 2.86Å; N346-S349 PolarHBondContact OD1-N 2.97Å; S349-L351 PolarHBondContact O-N 3.46Å; S349-R352 WeakPolarHBondContact O-CB 3.21Å; S349-R352 PolarHBondContact O-N 3.19Å; S349-V353 WeakPolarHBondContact O-CG2 3.05Å; S349-V353 PolarHBondContact O-N 2.69Å; S349-V353 VanDerWaalsContact O-N 3.08Å |
| 350 | T | 92.1 | Very high | 90.1 | Very high | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.012 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.6 | -45.8 | 178.9 | -51.5 | 0 | 0 | 0 | 0 | 112.1 | L279 F283 N346 L347 R352 V353 L354 | L279-T350 WeakPolarHBondContact O-CG2 3.29Å; F283-T350 HydrophobicContact CB-CG2 3.87Å; F283-T350 HydrophobicContact CD2-CG2 4.26Å; F283-T350 HydrophobicContact CG-CG2 4.35Å; N346-T350 PolarHBondContact O-N 2.8Å; N346-T350 PolarHBondContact O-OG1 3.43Å; L347-T350 PolarHBondContact O-N 2.61Å; T350-R352 VanDerWaalsContact C-N 3.34Å; T350-R352 PolarHBondContact O-N 3.01Å; T350-V353 PolarHBondContact O-N 3.19Å; T350-L354 HydrophobicContact CG2-CD1 4.12Å; T350-L354 HydrophobicContact CG2-CG 4.47Å; T350-L354 WeakPolarHBondContact O-CG 3.41Å; T350-L354 PolarHBondContact O-N 3.37Å |
| 351 | L | 90.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65 | -34.9 | 177.3 | -69.2 | 173.7 | 0 | 0 | 0 | 112.6 | F243 L254 K258 L261 L279 L347 S349 Y355 | F243-L351 HydrophobicContact CE1-CB 3.58Å; F243-L351 HydrophobicContact CE1-CD1 3.82Å; F243-L351 HydrophobicContact CE1-CG 4.35Å; F243-L351 HydrophobicContact CZ-CB 3.55Å; F243-L351 HydrophobicContact CZ-CD1 4.13Å; F243-L351 HydrophobicContact CZ-CG 4.38Å; L254-L351 HydrophobicContact CD1-CD1 3.92Å; K258-L351 HydrophobicContact CG-CD1 4.41Å; K258-L351 HydrophobicContact CG-CD2 4.14Å; L261-L351 HydrophobicContact CD1-CD2 3.69Å; L279-L351 HydrophobicContact CB-CD2 4.3Å; L279-L351 HydrophobicContact CD1-CD2 3.57Å; L347-L351 HydrophobicContact CD1-CD1 3.7Å; L347-L351 HydrophobicContact CD1-CD2 4.25Å; L347-L351 HydrophobicContact CD1-CG 3.72Å; L347-L351 HydrophobicContact CD2-CD1 4.33Å; L347-L351 HydrophobicContact CG-CD1 3.71Å; L347-L351 HydrophobicContact CG-CG 4.14Å; L347-L351 VanDerWaalsContact O-CB 3.28Å; L347-L351 WeakPolarHBondContact O-CB 3.27Å; L347-L351 WeakPolarHBondContact O-CG 3.07Å; L347-L351 PolarHBondContact O-N 2.89Å; S349-L351 PolarHBondContact O-N 3.46Å; L351-Y355 WeakPolarHBondContact O-CB 3.37Å; L351-Y355 PolarHBondContact O-N 3.49Å |
| 352 | R | 87.8 | Confident | 90 | Very high | 50 Ų | 50 | 38.8 Ų | 38.8 | 19% | 0.189 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.8 | -43.3 | 173.2 | -83 | 172.9 | 166 | 142.3 | 6.5 | 112.2 | D241 F243 D244 K348 S349 T350 N356 | D241-R352 IonicContact OD1-CZ 2.72Å; D241-R352 IonicContact OD1-NE 3.47Å; D241-R352 IonicContact OD1-NH2 3.55Å; D241-R352 PolarHBondContact OD1-NH2 3.3Å; D241-R352 IonicContact OD2-CZ 2.68Å; D241-R352 IonicContact OD2-NE 2.68Å; D241-R352 PolarHBondContact OD2-NE 3.05Å; D241-R352 IonicContact OD2-NH2 3.49Å; D241-R352 PolarHBondContact OD2-NH2 2.88Å; F243-R352 HydrophobicContact CB-CG 4.41Å; F243-R352 HydrophobicContact CG-CG 4.35Å; D244-R352 IonicContact OD1-CZ 2.73Å; D244-R352 IonicContact OD1-NH2 2.67Å; D244-R352 PolarHBondContact OD1-NH2 3.31Å; D244-R352 IonicContact OD2-CZ 2.68Å; D244-R352 IonicContact OD2-NH2 2.69Å; D244-R352 PolarHBondContact OD2-NH2 3.31Å; K348-R352 WeakPolarHBondContact O-CB 3.44Å; K348-R352 VanDerWaalsContact O-CG 3.3Å; K348-R352 WeakPolarHBondContact O-CG 3.37Å; K348-R352 PolarHBondContact O-N 3.39Å; K348-R352 VanDerWaalsContact O-N 3.13Å; S349-R352 WeakPolarHBondContact O-CB 3.21Å; S349-R352 PolarHBondContact O-N 3.19Å; T350-R352 VanDerWaalsContact C-N 3.34Å; T350-R352 PolarHBondContact O-N 3.01Å; R352-N356 PolarHBondContact O-N 2.91Å |
| 353 | V | 92.4 | Very high | 89.5 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.006 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61 | -54.7 | 175.3 | 173.5 | 0 | 0 | 0 | 0 | 110.3 | L289 F324 M327 P335 A337 V342 S349 T350 Y355 N356 L357 | L289-V353 HydrophobicContact CD1-CG1 4.33Å; L289-V353 HydrophobicContact CD2-CG1 3.99Å; F324-V353 HydrophobicContact CE1-CB 4.49Å; F324-V353 HydrophobicContact CE1-CG1 3.96Å; F324-V353 HydrophobicContact CE1-CG2 3.64Å; F324-V353 HydrophobicContact CZ-CG2 3.69Å; M327-V353 HydrophobicContact CE-CG1 3.78Å; M327-V353 HydrophobicContact SD-CG1 4.21Å; P335-V353 HydrophobicContact CB-CG2 4.23Å; A337-V353 HydrophobicContact CB-CG2 4.02Å; V342-V353 HydrophobicContact CG2-CG2 4.47Å; S349-V353 WeakPolarHBondContact O-CG2 3.05Å; S349-V353 PolarHBondContact O-N 2.69Å; S349-V353 VanDerWaalsContact O-N 3.08Å; T350-V353 PolarHBondContact O-N 3.19Å; V353-Y355 VanDerWaalsContact C-N 3.31Å; V353-Y355 PolarHBondContact O-N 3.1Å; V353-N356 WeakPolarHBondContact O-CB 3.32Å; V353-N356 PolarHBondContact O-N 2.78Å; V353-L357 PolarHBondContact O-N 3.07Å; V353-L357 VanDerWaalsContact O-N 3.16Å |
| 354 | L | 93.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.6 | -33.6 | -178.1 | -64.1 | 178.6 | 0 | 0 | 0 | 112.9 | L261 V265 L279 F283 L289 L292 T350 L357 F358 | L261-L354 HydrophobicContact CD1-CB 4.19Å; L261-L354 HydrophobicContact CD2-CB 4.33Å; V265-L354 HydrophobicContact CG1-CD2 4.03Å; L279-L354 HydrophobicContact CD2-CD1 3.89Å; F283-L354 HydrophobicContact CD1-CD2 4.28Å; F283-L354 HydrophobicContact CD2-CD1 3.8Å; F283-L354 HydrophobicContact CD2-CD2 4.48Å; F283-L354 HydrophobicContact CE1-CD2 3.92Å; F283-L354 HydrophobicContact CE2-CD1 3.57Å; F283-L354 HydrophobicContact CE2-CD2 4.15Å; F283-L354 HydrophobicContact CE2-CG 4.48Å; F283-L354 HydrophobicContact CG-CD1 4.5Å; F283-L354 HydrophobicContact CZ-CD1 4.12Å; F283-L354 HydrophobicContact CZ-CD2 3.86Å; L289-L354 HydrophobicContact CD2-CD2 3.79Å; L292-L354 HydrophobicContact CD2-CD2 4.19Å; T350-L354 HydrophobicContact CG2-CD1 4.12Å; T350-L354 HydrophobicContact CG2-CG 4.47Å; T350-L354 WeakPolarHBondContact O-CG 3.41Å; T350-L354 PolarHBondContact O-N 3.37Å; L354-L357 HydrophobicContact CD2-CD1 4.44Å; L354-L357 PolarHBondContact O-N 3.5Å; L354-F358 WeakPolarHBondContact O-CB 3.43Å; L354-F358 PolarHBondContact O-N 3.18Å |
| 355 | Y | 89.9 | Confident | 87.2 | Confident | 100 Ų | 100 | 52.2 Ų | 52.2 | 39% | 0.392 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -70 | -36.9 | 175.7 | -171.8 | -99 | 0 | 0 | 0 | 112.4 | F243 V257 L261 L351 V353 F358 T359 | F243-Y355 HydrophobicContact CD2-CG 4.47Å; F243-Y355 HydrophobicContact CE2-CD2 4.25Å; F243-Y355 HydrophobicContact CE2-CG 4.01Å; V257-Y355 HydrophobicContact CG1-CD2 4.4Å; L261-Y355 HydrophobicContact CD2-CD2 4.47Å; L351-Y355 WeakPolarHBondContact O-CB 3.37Å; L351-Y355 PolarHBondContact O-N 3.49Å; V353-Y355 VanDerWaalsContact C-N 3.31Å; V353-Y355 PolarHBondContact O-N 3.1Å; Y355-F358 HydrophobicContact CD2-CD1 4.24Å; Y355-F358 HydrophobicContact CE2-CD1 4.18Å; Y355-F358 PolarHBondContact O-N 2.93Å; Y355-T359 HydrophobicContact CD1-CG2 3.97Å; Y355-T359 HydrophobicContact CE1-CG2 3.49Å; Y355-T359 VanDerWaalsContact CE1-CG2 3.49Å; Y355-T359 HydrophobicContact CE2-CG2 4.25Å; Y355-T359 WeakPolarHBondContact O-CG2 3.39Å; Y355-T359 PolarHBondContact O-N 3.05Å; Y355-T359 PolarHBondContact O-OG1 3.12Å |
| 356 | N | 89.8 | Confident | 87 | Confident | 39 Ų | 39 | 49.7 Ų | 49.7 | 21% | 0.209 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.3 | -47.6 | 171.6 | -171.9 | 25.3 | 0 | 0 | 0 | 110.7 | R352 V353 T359 N360 | R352-N356 PolarHBondContact O-N 2.91Å; V353-N356 WeakPolarHBondContact O-CB 3.32Å; V353-N356 PolarHBondContact O-N 2.78Å; N356-T359 PolarHBondContact O-N 3.01Å; N356-T359 PolarHBondContact O-OG1 3.35Å; N356-N360 PolarHBondContact O-N 3.24Å; N356-N360 PolarHBondContact O-ND2 3.02Å; N356-N360 PolarHBondContact OD1-ND2 2.93Å; N356-N360 VanDerWaalsContact OD1-ND2 3.16Å |
| 357 | L | 92.8 | Very high | 87 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.2 | -51.1 | 174.2 | -60.9 | -178.4 | 0 | 0 | 0 | 111.2 | F264 L292 M293 L296 M327 L332 V353 L354 T359 N360 Y361 | F264-L357 HydrophobicContact CE1-CB 3.93Å; F264-L357 HydrophobicContact CZ-CB 4.29Å; L292-L357 HydrophobicContact CD2-CD1 3.65Å; L292-L357 HydrophobicContact CG-CD1 4.26Å; M293-L357 HydrophobicContact SD-CD1 4.41Å; M293-L357 HydrophobicContact SD-CD2 3.47Å; M293-L357 WeakPolarHBondContact SD-CD2 3.48Å; L296-L357 HydrophobicContact CD1-CB 4.19Å; L296-L357 HydrophobicContact CD1-CD1 4.2Å; L296-L357 HydrophobicContact CD1-CD2 4.25Å; L296-L357 HydrophobicContact CD1-CG 4.44Å; M327-L357 HydrophobicContact CE-CD1 4.13Å; M327-L357 HydrophobicContact CE-CD2 4.14Å; M327-L357 HydrophobicContact CE-CG 4.43Å; M327-L357 HydrophobicContact CG-CD2 4.01Å; M327-L357 HydrophobicContact SD-CD2 4.07Å; L332-L357 HydrophobicContact CD2-CD2 3.87Å; V353-L357 PolarHBondContact O-N 3.07Å; V353-L357 VanDerWaalsContact O-N 3.16Å; L354-L357 HydrophobicContact CD2-CD1 4.44Å; L354-L357 PolarHBondContact O-N 3.5Å; L357-T359 VanDerWaalsContact C-N 3.35Å; L357-T359 PolarHBondContact O-N 3.31Å; L357-N360 PolarHBondContact O-N 3.2Å; L357-Y361 HydrophobicContact CB-CD2 4.47Å; L357-Y361 HydrophobicContact CD2-CD2 4.37Å; L357-Y361 HydrophobicContact CD2-CE2 4.1Å; L357-Y361 WeakPolarHBondContact O-CD2 3.49Å; L357-Y361 PolarHBondContact O-N 2.85Å |
| 358 | F | 92 | Very high | 87 | Confident | 47 Ų | 47 | 50.9 Ų | 50.9 | 21% | 0.206 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -56.6 | -43.8 | 178.6 | 173.4 | -105.9 | 0 | 0 | 0 | 112.8 | L261 F264 L354 Y355 N360 K362 | L261-F358 HydrophobicContact CD2-CB 3.55Å; L261-F358 HydrophobicContact CD2-CD1 4.41Å; L261-F358 HydrophobicContact CD2-CG 3.96Å; F264-F358 HydrophobicContact CB-CD2 3.75Å; F264-F358 HydrophobicContact CB-CE2 4.33Å; F264-F358 HydrophobicContact CD1-CB 3.94Å; F264-F358 HydrophobicContact CD1-CD2 4.23Å; F264-F358 AromaticContact CD2-CD2 3.99Å; F264-F358 HydrophobicContact CD2-CD2 3.99Å; F264-F358 HydrophobicContact CE1-CB 4.14Å; F264-F358 HydrophobicContact CG-CB 4.29Å; F264-F358 AromaticContact CG-CD2 3.72Å; F264-F358 HydrophobicContact CG-CD2 3.72Å; F264-F358 HydrophobicContact CG-CG 4.5Å; L354-F358 WeakPolarHBondContact O-CB 3.43Å; L354-F358 PolarHBondContact O-N 3.18Å; Y355-F358 HydrophobicContact CD2-CD1 4.24Å; Y355-F358 HydrophobicContact CE2-CD1 4.18Å; Y355-F358 PolarHBondContact O-N 2.93Å; F358-N360 VanDerWaalsContact C-N 3.29Å; F358-N360 PolarHBondContact O-N 3.25Å; F358-K362 HydrophobicContact CD2-CB 3.94Å; F358-K362 HydrophobicContact CE2-CB 3.79Å; F358-K362 HydrophobicContact CZ-CB 4.29Å; F358-K362 WeakPolarHBondContact O-CB 3.45Å; F358-K362 VanDerWaalsContact O-CG 3.25Å; F358-K362 WeakPolarHBondContact O-CG 3.37Å; F358-K362 PolarHBondContact O-N 3.3Å |
| 359 | T | 89.1 | Confident | 87.2 | Confident | 54 Ų | 54 | 52.4 Ų | 52.4 | 33% | 0.331 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65.5 | -31.7 | -177.8 | 49 | 0 | 0 | 0 | 0 | 113.7 | Y355 N356 L357 | Y355-T359 HydrophobicContact CD1-CG2 3.97Å; Y355-T359 HydrophobicContact CE1-CG2 3.49Å; Y355-T359 VanDerWaalsContact CE1-CG2 3.49Å; Y355-T359 HydrophobicContact CE2-CG2 4.25Å; Y355-T359 WeakPolarHBondContact O-CG2 3.39Å; Y355-T359 PolarHBondContact O-N 3.05Å; Y355-T359 PolarHBondContact O-OG1 3.12Å; N356-T359 PolarHBondContact O-N 3.01Å; N356-T359 PolarHBondContact O-OG1 3.35Å; L357-T359 VanDerWaalsContact C-N 3.35Å; L357-T359 PolarHBondContact O-N 3.31Å |
| 360 | N | 90.1 | Very high | 87.1 | Confident | 92 Ų | 92 | 55.4 Ų | 55.4 | 49% | 0.492 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -86.5 | -43.1 | 179.4 | -66.2 | -72.1 | 0 | 0 | 0 | 111.7 | L332 N356 L357 F358 | L332-N360 HydrophobicContact CD2-CB 4.47Å; N356-N360 PolarHBondContact O-N 3.24Å; N356-N360 PolarHBondContact O-ND2 3.02Å; N356-N360 PolarHBondContact OD1-ND2 2.93Å; N356-N360 VanDerWaalsContact OD1-ND2 3.16Å; L357-N360 PolarHBondContact O-N 3.2Å; F358-N360 VanDerWaalsContact C-N 3.29Å; F358-N360 PolarHBondContact O-N 3.25Å |
| 361 | Y | 91.8 | Very high | 86.8 | Confident | 16 Ų | 16 | 59 Ų | 59 | 6% | 0.063 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -107.7 | 2.5 | -169.1 | -59.1 | -82.5 | 0 | 0 | 0 | 116.3 | L296 E297 L332 L357 N363 S364 | L296-Y361 HydrophobicContact CB-CD1 3.96Å; L296-Y361 HydrophobicContact CB-CD2 4.3Å; L296-Y361 HydrophobicContact CB-CE1 4.02Å; L296-Y361 HydrophobicContact CB-CE2 4.35Å; L296-Y361 HydrophobicContact CB-CG 4.1Å; L296-Y361 HydrophobicContact CD1-CD2 3.75Å; L296-Y361 HydrophobicContact CD1-CE2 4.13Å; L296-Y361 HydrophobicContact CD1-CG 4.1Å; L296-Y361 HydrophobicContact CD2-CG 4.1Å; L296-Y361 HydrophobicContact CG-CD2 4.43Å; L296-Y361 HydrophobicContact CG-CG 4.32Å; E297-Y361 WeakPolarHBondContact OE1-CE1 3.46Å; E297-Y361 VanDerWaalsContact OE1-CZ 3.27Å; E297-Y361 PolarHBondContact OE1-OH 2.94Å; L332-Y361 HydrophobicContact CD1-CE2 3.76Å; L332-Y361 VanDerWaalsContact CD1-OH 3.29Å; L332-Y361 WeakPolarHBondContact CD1-OH 3.44Å; L332-Y361 HydrophobicContact CD2-CE2 3.91Å; L332-Y361 HydrophobicContact CG-CE2 4.47Å; L357-Y361 HydrophobicContact CB-CD2 4.47Å; L357-Y361 HydrophobicContact CD2-CD2 4.37Å; L357-Y361 HydrophobicContact CD2-CE2 4.1Å; L357-Y361 WeakPolarHBondContact O-CD2 3.49Å; L357-Y361 PolarHBondContact O-N 2.85Å; Y361-N363 PolarHBondContact O-N 3.42Å; Y361-S364 WeakPolarHBondContact O-CB 3.3Å; Y361-S364 PolarHBondContact O-N 2.73Å |
| 362 | K | 85 | Confident | 86.5 | Confident | 112 Ų | 112 | 63.2 Ų | 63.2 | 49% | 0.487 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.3 | -23.5 | 176.4 | 53.3 | 175.7 | -179.4 | 179.6 | 0 | 115.7 | F358 | F358-K362 HydrophobicContact CD2-CB 3.94Å; F358-K362 HydrophobicContact CE2-CB 3.79Å; F358-K362 HydrophobicContact CZ-CB 4.29Å; F358-K362 WeakPolarHBondContact O-CB 3.45Å; F358-K362 VanDerWaalsContact O-CG 3.25Å; F358-K362 WeakPolarHBondContact O-CG 3.37Å; F358-K362 PolarHBondContact O-N 3.3Å |
| 363 | N | 82.3 | Confident | 86.4 | Confident | 138 Ų | 138 | 64.2 Ų | 64.2 | 74% | 0.738 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | -8.9 | -179.6 | -66.2 | -2.6 | 0 | 0 | 0 | 113.4 | Y361 | Y361-N363 PolarHBondContact O-N 3.42Š|
| 364 | S | 75.4 | Confident | 85.9 | Confident | 43 Ų | 43 | 69.5 Ų | 69.5 | 30% | 0.301 | 34% | 0.343 | S | S | . | . | trans | -75.7 | 141.4 | 178.3 | -57.4 | 0 | 0 | 0 | 0 | 110.7 | K267 Y361 | K267-S364 PolarHBondContact NZ-O 2.66Å; Y361-S364 WeakPolarHBondContact O-CB 3.3Å; Y361-S364 PolarHBondContact O-N 2.73Å | ||
| 365 | E | 59.3 | Low | 85.2 | Confident | 193 Ų | 193 | 75.8 Ų | 75.8 | 90% | 0.902 | 38% | 0.375 | S | S | * | . | trans | -83.3 | 0 | -170 | -61 | -162.5 | 128.3 | 0 | 0 | 115 | K267 K271 | K267-E365 VanDerWaalsContact CE-OXT 3.23Å; K267-E365 WeakPolarHBondContact CE-OXT 3.14Å; K267-E365 PolarHBondContact NZ-OXT 2.8Å; K271-E365 PolarHBondContact NZ-O 3Å; K271-E365 PolarHBondContact NZ-OXT 2.71Å |
Retrieved 365 of 365 residues in 116.4 ms
(Link to these results)