| 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 | 36.4 | Very low | 43.3 | Very low | 235 Ų | 235 | 118.7 Ų | 118.7 | 100% | 1.158 | 70% | 0.695 | S | S | * | * | 0 | 92.4 | 0 | -85.3 | -176.8 | 172 | 0 | 0 | 105.7 | |||||
| 2 | D | 37.6 | Very low | 44.1 | Very low | 154 Ų | 154 | 117 Ų | 117 | 82% | 0.824 | 68% | 0.68 | S | S | * | * | trans | -83.2 | 139 | -168.6 | -65.4 | -89.7 | 0 | 0 | 0 | 111.7 | ||||
| 3 | I | 43 | Very low | 44 | Very low | 160 Ų | 160 | 117.5 Ų | 117.5 | 82% | 0.821 | 67% | 0.672 | S | S | * | * | trans | -136 | 68.5 | 170 | -48.9 | 179.1 | 0 | 0 | 0 | 107.8 | ||||
| 4 | S | 46.4 | Very low | 44.7 | Very low | 105 Ų | 105 | 116.6 Ų | 116.6 | 73% | 0.734 | 66% | 0.664 | S | S | * | * | trans | -142.4 | 4.8 | 176.8 | -64.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 5 | A | 45.5 | Very low | 45 | Very low | 67 Ų | 67 | 113.2 Ų | 113.2 | 55% | 0.554 | 65% | 0.65 | S | S | * | * | trans | -83.2 | -39.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | V7 | A5-V7 VanDerWaalsContact C-N 3.33Å; A5-V7 PolarHBondContact O-N 3.29Å; A5-V7 VanDerWaalsContact O-N 3.15Å | ||
| 6 | P | 37.8 | Very low | 45.4 | Very low | 79 Ų | 79 | 115.2 Ų | 115.2 | 51% | 0.513 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -74.7 | -15.2 | -157.5 | 27.5 | -35.4 | 0 | 0 | 0 | 115.8 | S10 | P6-S10 PolarHBondContact O-N 3.34Å; P6-S10 PolarHBondContact O-OG 3.37Å |
| 7 | V | 45.7 | Very low | 46.3 | Very low | 123 Ų | 123 | 113.2 Ų | 113.2 | 75% | 0.745 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -82.1 | -39.3 | -174.9 | -176.9 | 0 | 0 | 0 | 0 | 112.2 | A5 | A5-V7 VanDerWaalsContact C-N 3.33Å; A5-V7 PolarHBondContact O-N 3.29Å; A5-V7 VanDerWaalsContact O-N 3.15Å |
| 8 | L | 44.2 | Very low | 46.8 | Very low | 137 Ų | 137 | 109.1 Ų | 109.1 | 72% | 0.717 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -71.8 | -38.7 | 177.7 | -85 | 162.3 | 0 | 0 | 0 | 112 | S10 G11 L12 | L8-S10 VanDerWaalsContact C-N 3.35Å; L8-S10 PolarHBondContact O-N 2.81Å; L8-G11 PolarHBondContact O-N 3.39Å; L8-L12 PolarHBondContact O-N 3.22Å; L8-L12 VanDerWaalsContact O-N 3.16Å |
| 9 | E | 40.6 | Very low | 47.3 | Very low | 127 Ų | 127 | 110.5 Ų | 110.5 | 59% | 0.593 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -63.4 | -41.1 | 179.1 | -163.1 | 166.5 | -163.8 | 0 | 0 | 111.4 | G11 L12 Q13 | E9-G11 PolarHBondContact O-N 3.44Å; E9-L12 PolarHBondContact O-N 3.13Å; E9-Q13 WeakPolarHBondContact O-CB 3.21Å; E9-Q13 PolarHBondContact O-N 3.41Å |
| 10 | S | 50.4 | Low | 47.6 | Very low | 72 Ų | 72 | 112.6 Ų | 112.6 | 50% | 0.503 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -62.3 | -38.5 | 176.9 | -59.8 | 0 | 0 | 0 | 0 | 113.5 | P6 L8 L14 | P6-S10 PolarHBondContact O-N 3.34Å; P6-S10 PolarHBondContact O-OG 3.37Å; L8-S10 VanDerWaalsContact C-N 3.35Å; L8-S10 PolarHBondContact O-N 2.81Å; S10-L14 PolarHBondContact O-N 3.02Å |
| 11 | G | 49.3 | Very low | 48.2 | Very low | 47 Ų | 47 | 113.6 Ų | 113.6 | 49% | 0.485 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -70.8 | -39.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | L8 E9 L14 S15 | L8-G11 PolarHBondContact O-N 3.39Å; E9-G11 PolarHBondContact O-N 3.44Å; G11-L14 PolarHBondContact O-N 3.33Å; G11-S15 PolarHBondContact O-N 2.99Å |
| 12 | L | 52.8 | Low | 49.3 | Very low | 98 Ų | 98 | 108.9 Ų | 108.9 | 51% | 0.513 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -66.4 | -39.5 | 173.6 | -70.5 | 169.8 | 0 | 0 | 0 | 111.5 | L8 E9 L14 S15 F16 | L8-L12 PolarHBondContact O-N 3.22Å; L8-L12 VanDerWaalsContact O-N 3.16Å; E9-L12 PolarHBondContact O-N 3.13Å; L12-L14 VanDerWaalsContact C-N 3.31Å; L12-L14 PolarHBondContact O-N 3.43Å; L12-S15 PolarHBondContact O-N 3.45Å; L12-S15 PolarHBondContact O-OG 3.03Å; L12-F16 WeakPolarHBondContact O-CD2 3.44Å; L12-F16 PolarHBondContact O-N 3.02Å |
| 13 | Q | 42 | Very low | 50 | Low | 124 Ų | 124 | 109.2 Ų | 109.2 | 58% | 0.579 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -58.8 | -42.8 | 177.7 | -145.2 | 78.9 | 0.9 | 0 | 0 | 111.8 | E9 V17 | E9-Q13 WeakPolarHBondContact O-CB 3.21Å; E9-Q13 PolarHBondContact O-N 3.41Å; Q13-V17 WeakPolarHBondContact O-CG2 3.27Å; Q13-V17 PolarHBondContact O-N 2.99Å; Q13-V17 VanDerWaalsContact O-N 3.09Å |
| 14 | L | 54.3 | Low | 50.4 | Low | 105 Ų | 105 | 109.4 Ų | 109.4 | 55% | 0.55 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -65.9 | -42.1 | 176 | -102.2 | 90.1 | 0 | 0 | 0 | 112.6 | S10 G11 L12 F16 V17 A18 | S10-L14 PolarHBondContact O-N 3.02Å; G11-L14 PolarHBondContact O-N 3.33Å; L12-L14 VanDerWaalsContact C-N 3.31Å; L12-L14 PolarHBondContact O-N 3.43Å; L14-F16 VanDerWaalsContact C-N 3.32Å; L14-F16 PolarHBondContact O-N 3.16Å; L14-V17 PolarHBondContact O-N 3.08Å; L14-A18 PolarHBondContact O-N 3.34Å |
| 15 | S | 49.3 | Very low | 50.7 | Low | 65 Ų | 65 | 108.8 Ų | 108.8 | 46% | 0.455 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -66.1 | -35.1 | 179.6 | 70.9 | 0 | 0 | 0 | 0 | 112.2 | G11 L12 K19 | G11-S15 PolarHBondContact O-N 2.99Å; L12-S15 PolarHBondContact O-N 3.45Å; L12-S15 PolarHBondContact O-OG 3.03Å; S15-K19 WeakPolarHBondContact O-CB 3.34Å; S15-K19 PolarHBondContact O-N 3.06Å |
| 16 | F | 50.9 | Low | 50.5 | Low | 145 Ų | 145 | 109 Ų | 109 | 64% | 0.636 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -67.3 | -38.1 | 171.7 | -89.4 | -75.8 | 0 | 0 | 0 | 113.2 | L12 L14 K20 | L12-F16 WeakPolarHBondContact O-CD2 3.44Å; L12-F16 PolarHBondContact O-N 3.02Å; L14-F16 VanDerWaalsContact C-N 3.32Å; L14-F16 PolarHBondContact O-N 3.16Å; F16-K20 VanDerWaalsContact O-CB 3.27Å; F16-K20 WeakPolarHBondContact O-CB 3.39Å; F16-K20 PolarHBondContact O-N 2.71Å |
| 17 | V | 60.7 | Low | 50.8 | Low | 81 Ų | 81 | 113.1 Ų | 113.1 | 49% | 0.491 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -66.7 | -45.2 | 175.4 | 170.7 | 0 | 0 | 0 | 0 | 111.1 | Q13 L14 K19 K20 M21 | Q13-V17 WeakPolarHBondContact O-CG2 3.27Å; Q13-V17 PolarHBondContact O-N 2.99Å; Q13-V17 VanDerWaalsContact O-N 3.09Å; L14-V17 PolarHBondContact O-N 3.08Å; V17-K19 PolarHBondContact O-N 3.47Å; V17-K20 PolarHBondContact O-N 2.89Å; V17-M21 HydrophobicContact CG1-SD 4.38Å; V17-M21 PolarHBondContact O-N 3.32Å |
| 18 | A | 55.7 | Low | 50.4 | Low | 40 Ų | 40 | 116 Ų | 116 | 33% | 0.331 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -60.2 | -46.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L14 K20 M21 M22 | L14-A18 PolarHBondContact O-N 3.34Å; A18-K20 VanDerWaalsContact C-N 3.34Å; A18-K20 PolarHBondContact O-N 3.38Å; A18-M21 PolarHBondContact O-N 2.88Å; A18-M22 PolarHBondContact O-N 2.92Å |
| 19 | K | 56.2 | Low | 50 | Low | 136 Ų | 136 | 116 Ų | 116 | 59% | 0.591 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -61.3 | -40.9 | 176.6 | -171.7 | 170.8 | -177.8 | 173.8 | 0 | 112.2 | S15 V17 M22 E23 | S15-K19 WeakPolarHBondContact O-CB 3.34Å; S15-K19 PolarHBondContact O-N 3.06Å; V17-K19 PolarHBondContact O-N 3.47Å; K19-M22 PolarHBondContact O-N 2.97Å; K19-E23 PolarHBondContact O-N 3.44Å |
| 20 | K | 54.3 | Low | 49.9 | Very low | 151 Ų | 151 | 115.2 Ų | 115.2 | 66% | 0.657 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -67 | -37.8 | 178.4 | -173 | 174.7 | 179.5 | -179 | 0 | 112.9 | F16 V17 A18 M22 E23 E24 | F16-K20 VanDerWaalsContact O-CB 3.27Å; F16-K20 WeakPolarHBondContact O-CB 3.39Å; F16-K20 PolarHBondContact O-N 2.71Å; V17-K20 PolarHBondContact O-N 2.89Å; A18-K20 VanDerWaalsContact C-N 3.34Å; A18-K20 PolarHBondContact O-N 3.38Å; K20-M22 VanDerWaalsContact C-N 3.27Å; K20-M22 PolarHBondContact O-N 3.47Å; K20-E23 PolarHBondContact O-N 2.74Å; K20-E24 PolarHBondContact O-N 3.07Å |
| 21 | M | 58.8 | Low | 49.4 | Very low | 134 Ų | 134 | 116.8 Ų | 116.8 | 66% | 0.66 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -68.4 | -26 | 175.5 | -75.3 | -175.2 | 159.9 | 0 | 0 | 113.1 | V17 A18 | V17-M21 HydrophobicContact CG1-SD 4.38Å; V17-M21 PolarHBondContact O-N 3.32Å; A18-M21 PolarHBondContact O-N 2.88Å |
| 22 | M | 59.7 | Low | 49 | Very low | 136 Ų | 136 | 120.7 Ų | 120.7 | 67% | 0.67 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -77.9 | -32.5 | 175.9 | -167.5 | 165.2 | 65.7 | 0 | 0 | 112.9 | A18 K19 K20 | A18-M22 PolarHBondContact O-N 2.92Å; K19-M22 PolarHBondContact O-N 2.97Å; K20-M22 VanDerWaalsContact C-N 3.27Å; K20-M22 PolarHBondContact O-N 3.47Å |
| 23 | E | 52.8 | Low | 48.2 | Very low | 162 Ų | 162 | 122.8 Ų | 122.8 | 76% | 0.757 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -75 | -23.6 | -180 | -162.2 | 173.1 | 152.2 | 0 | 0 | 113.4 | K19 K20 | K19-E23 PolarHBondContact O-N 3.44Å; K20-E23 PolarHBondContact O-N 2.74Å |
| 24 | E | 50.7 | Low | 47.8 | Very low | 163 Ų | 163 | 121.8 Ų | 121.8 | 76% | 0.762 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -80.8 | -19.1 | 178 | -164.8 | 172.9 | 169.1 | 0 | 0 | 113.3 | K20 G26 | K20-E24 PolarHBondContact O-N 3.07Å; E24-G26 PolarHBondContact O-N 2.98Å |
| 25 | S | 52.5 | Low | 47.1 | Very low | 92 Ų | 92 | 122.3 Ų | 122.3 | 64% | 0.643 | 69% | 0.69 | S | S | * | * | trans | -84.3 | 54.3 | -178.5 | -65.7 | 0 | 0 | 0 | 0 | 113.2 | I27 | S25-I27 PolarHBondContact O-N 3.48Å; S25-I27 VanDerWaalsContact O-N 3.13Å | ||
| 26 | G | 42.3 | Very low | 46.5 | Very low | 73 Ų | 73 | 125.4 Ų | 125.4 | 75% | 0.753 | 71% | 0.706 | S | S | * | * | trans | -71.1 | 100.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | E24 | E24-G26 PolarHBondContact O-N 2.98Š| ||
| 27 | I | 42.7 | Very low | 45.9 | Very low | 164 Ų | 164 | 124.2 Ų | 124.2 | 84% | 0.841 | 71% | 0.712 | S | S | * | * | trans | -101 | 113 | 164.5 | 55.1 | 168.2 | 0 | 0 | 0 | 110.8 | S25 T29 | S25-I27 PolarHBondContact O-N 3.48Å; S25-I27 VanDerWaalsContact O-N 3.13Å; I27-T29 PolarHBondContact O-N 3.32Å | ||
| 28 | E | 38.9 | Very low | 44.4 | Very low | 184 Ų | 184 | 128.9 Ų | 128.9 | 86% | 0.86 | 73% | 0.734 | S | S | * | * | trans | -68.5 | 109.4 | -179.5 | -170.6 | 169.7 | 122.1 | 0 | 0 | 110.6 | T30 | E28-T30 PolarHBondContact O-N 3.13Š| ||
| 29 | T | 35 | Very low | 43.4 | Very low | 137 Ų | 137 | 132.8 Ų | 132.8 | 84% | 0.84 | 76% | 0.758 | S | S | * | * | trans | -82.7 | 115.7 | -178.8 | -151.4 | 0 | 0 | 0 | 0 | 110.7 | I27 | I27-T29 PolarHBondContact O-N 3.32Š| ||
| 30 | T | 39.1 | Very low | 43.5 | Very low | 110 Ų | 110 | 132.1 Ų | 132.1 | 68% | 0.675 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -100.3 | 125.5 | 171.7 | -56.3 | 0 | 0 | 0 | 0 | 108.9 | E28 | E28-T30 PolarHBondContact O-N 3.13Š|
| 31 | P | 40.1 | Very low | 42.3 | Very low | 106 Ų | 106 | 129.9 Ų | 129.9 | 69% | 0.688 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 140.1 | -176.1 | 29 | -34.6 | 0 | 0 | 0 | 112.1 | ||
| 32 | P | 41 | Very low | 41 | Very low | 129 Ų | 129 | 127.9 Ų | 127.9 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 142.5 | 175.5 | 29.8 | -33.8 | 0 | 0 | 0 | 112.3 | ||
| 33 | V | 36.3 | Very low | 39.7 | Very low | 142 Ų | 142 | 127.1 Ų | 127.1 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 136.5 | 179.3 | 176.1 | 0 | 0 | 0 | 0 | 111.3 | ||
| 34 | S | 31.6 | Very low | 38.6 | Very low | 102 Ų | 102 | 123.9 Ų | 123.9 | 71% | 0.713 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 134.1 | 178.8 | -170.3 | 0 | 0 | 0 | 0 | 112.4 | ||
| 35 | P | 40 | Very low | 37.7 | Very low | 117 Ų | 117 | 121.9 Ų | 121.9 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 138 | 178.5 | 32.9 | -33.2 | 0 | 0 | 0 | 113.3 | ||
| 36 | T | 37.9 | Very low | 36.8 | Very low | 130 Ų | 130 | 125 Ų | 125 | 80% | 0.798 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 143.4 | 179 | -40.2 | 0 | 0 | 0 | 0 | 111.9 | ||
| 37 | P | 36.7 | Very low | 37 | Very low | 119 Ų | 119 | 127.1 Ų | 127.1 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 147.5 | -179.9 | 31.8 | -35.9 | 0 | 0 | 0 | 113.7 | ||
| 38 | L | 31 | Very low | 37.3 | Very low | 180 Ų | 180 | 124.2 Ų | 124.2 | 94% | 0.942 | 80% | 0.796 | S | S | * | * | trans | -104.6 | 145.6 | 171.3 | -80.4 | 166.5 | 0 | 0 | 0 | 111.7 | ||||
| 39 | S | 32.8 | Very low | 37.2 | Very low | 121 Ų | 121 | 123.2 Ų | 123.2 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | trans | -99.9 | 167.3 | -177.1 | -94 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 40 | P | 59.2 | Low | 37.2 | Very low | 123 Ų | 123 | 121.9 Ų | 121.9 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | trans | -101.2 | 160.8 | -156.1 | 38.4 | -36.5 | 0 | 0 | 0 | 116.1 | ||||
| 41 | A | 28.8 | Very low | 36.9 | Very low | 103 Ų | 103 | 122.7 Ų | 122.7 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | trans | -153.6 | 99.2 | 165.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 42 | A | 32.6 | Very low | 36.4 | Very low | 92 Ų | 92 | 121 Ų | 121 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | trans | 29.5 | 127.4 | 136.3 | 0 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 43 | S | 32.1 | Very low | 36.1 | Very low | 121 Ų | 121 | 123.2 Ų | 123.2 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | 103.9 | 148.6 | 117 | -78.8 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 44 | A | 29.9 | Very low | 35.9 | Very low | 94 Ų | 94 | 121.3 Ų | 121.3 | 78% | 0.777 | 80% | 0.796 | S | S | * | * | trans | 81 | 139.4 | 167.3 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 45 | S | 30.2 | Very low | 35.9 | Very low | 120 Ų | 120 | 121 Ų | 121 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | cis | -163.5 | 161.4 | -14.6 | -98 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 46 | I | 35.2 | Very low | 35.5 | Very low | 158 Ų | 158 | 123.3 Ų | 123.3 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | trans | -103.1 | 168.7 | 178.6 | -2.8 | 174.8 | 0 | 0 | 0 | 110.5 | ||||
| 47 | P | 46.4 | Very low | 35.3 | Very low | 117 Ų | 117 | 125 Ų | 125 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | -142.7 | -121.4 | 61.3 | 32.5 | -3.7 | 0 | 0 | 0 | 116.7 | |||||
| 48 | P | 49.2 | Very low | 35 | Very low | 104 Ų | 104 | 124.1 Ų | 124.1 | 68% | 0.675 | 79% | 0.79 | S | S | * | * | -142.3 | 179.6 | -119.3 | 45.9 | -26.2 | 0 | 0 | 0 | 119.2 | |||||
| 49 | L | 37.2 | Very low | 35.2 | Very low | 163 Ų | 163 | 123.9 Ų | 123.9 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | trans | 177.6 | 90 | 149.2 | -97.8 | 162.7 | 0 | 0 | 0 | 108.3 | ||||
| 50 | T | 33.2 | Very low | 35 | Very low | 108 Ų | 108 | 124.3 Ų | 124.3 | 66% | 0.663 | 79% | 0.792 | S | S | * | * | 61.9 | 139.3 | 86.4 | 75.6 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 51 | S | 33.5 | Very low | 33.5 | Very low | 127 Ų | 127 | 122.2 Ų | 122.2 | 89% | 0.888 | 79% | 0.792 | S | S | * | * | trans | 88.3 | 126 | 165.5 | -50.5 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 52 | G | 29.6 | Very low | 33.6 | Very low | 72 Ų | 72 | 121.5 Ų | 121.5 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | cis | -166.7 | -173.5 | 2.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 53 | L | 35.6 | Very low | 33.5 | Very low | 175 Ų | 175 | 124.3 Ų | 124.3 | 92% | 0.916 | 79% | 0.789 | S | S | * | * | trans | -62.1 | 167.8 | -176.5 | -76.6 | 57.4 | 0 | 0 | 0 | 112.7 | ||||
| 54 | S | 31.1 | Very low | 33.5 | Very low | 101 Ų | 101 | 123.4 Ų | 123.4 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | cis | -170.6 | 150.4 | 42.4 | 60.3 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 55 | S | 32.2 | Very low | 33.9 | Very low | 96 Ų | 96 | 125.6 Ų | 125.6 | 67% | 0.671 | 78% | 0.78 | S | S | * | * | trans | 9.3 | 161.1 | 139.5 | 61.1 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 56 | Q | 31.3 | Very low | 34 | Very low | 165 Ų | 165 | 125.2 Ų | 125.2 | 77% | 0.771 | 77% | 0.772 | S | S | * | * | cis | -175.9 | 157.4 | -13 | -104.6 | -175.4 | -51.8 | 0 | 0 | 109.5 | ||||
| 57 | H | 34.2 | Very low | 33.8 | Very low | 165 Ų | 165 | 124.3 Ų | 124.3 | 76% | 0.764 | 77% | 0.769 | S | S | * | * | trans | 69.4 | 141 | 144.5 | -88.4 | -100.1 | 0 | 0 | 0 | 126.7 | ||||
| 58 | S | 29.3 | Very low | 33 | Very low | 102 Ų | 102 | 123.8 Ų | 123.8 | 71% | 0.713 | 77% | 0.767 | S | S | * | * | trans | 80.2 | 97.5 | 142.5 | 43.4 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 59 | L | 35.2 | Very low | 32.1 | Very low | 174 Ų | 174 | 123.7 Ų | 123.7 | 91% | 0.911 | 77% | 0.769 | S | S | * | * | 33.8 | 138.1 | 112.6 | -78.4 | 165.5 | 0 | 0 | 0 | 123.7 | |||||
| 60 | S | 29 | Very low | 31.7 | Very low | 131 Ų | 131 | 123.1 Ų | 123.1 | 92% | 0.916 | 77% | 0.773 | S | S | * | * | trans | 92.5 | 141.7 | 141.2 | -153.4 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 61 | G | 27.4 | Very low | 31.7 | Very low | 78 Ų | 78 | 122.8 Ų | 122.8 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | 146.1 | 114.4 | 168.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 62 | A | 32.1 | Very low | 31.7 | Very low | 88 Ų | 88 | 124.7 Ų | 124.7 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | trans | -118.8 | -178.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 63 | N | 29.9 | Very low | 31.8 | Very low | 152 Ų | 152 | 125.5 Ų | 125.5 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | trans | 103.4 | 127.6 | 165.1 | -54.9 | -23.8 | 0 | 0 | 0 | 115.6 | ||||
| 64 | S | 31.5 | Very low | 31.5 | Very low | 102 Ų | 102 | 124.4 Ų | 124.4 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | cis | 108.9 | 159.4 | 14.6 | -169.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 65 | I | 37.7 | Very low | 31.9 | Very low | 139 Ų | 139 | 124.4 Ų | 124.4 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | trans | 82.5 | 134.5 | 167 | -45.5 | -178.6 | 0 | 0 | 0 | 113.2 | ||||
| 66 | T | 32.8 | Very low | 32.6 | Very low | 112 Ų | 112 | 125.4 Ų | 125.4 | 69% | 0.687 | 77% | 0.766 | S | S | * | * | cis | -157.5 | 141.9 | 35.1 | -13.4 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 67 | N | 31.8 | Very low | 33.2 | Very low | 139 Ų | 139 | 123.6 Ų | 123.6 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | trans | 47.7 | 158.8 | 130 | -64.7 | 12.5 | 0 | 0 | 0 | 123.5 | ||||
| 68 | C | 29 | Very low | 33.1 | Very low | 107 Ų | 107 | 120.9 Ų | 120.9 | 72% | 0.723 | 77% | 0.769 | S | S | * | * | cis | -145.6 | 137.3 | 12.9 | -116.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 69 | S | 30.5 | Very low | 33.4 | Very low | 101 Ų | 101 | 123.3 Ų | 123.3 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | 81.9 | 107.7 | 76.3 | -58.8 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 70 | T | 29.7 | Very low | 33.1 | Very low | 152 Ų | 152 | 122.2 Ų | 122.2 | 93% | 0.933 | 77% | 0.767 | S | S | * | * | trans | -152.7 | 145.7 | 133.6 | -17.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 71 | S | 32.8 | Very low | 33.3 | Very low | 100 Ų | 100 | 120.7 Ų | 120.7 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | trans | -130.8 | 159.3 | 179.2 | 53.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 72 | I | 32.1 | Very low | 33.8 | Very low | 167 Ų | 167 | 124.1 Ų | 124.1 | 86% | 0.856 | 76% | 0.756 | S | S | * | * | trans | -179.4 | 144.1 | 137 | -90.7 | 150.3 | 0 | 0 | 0 | 111 | ||||
| 73 | S | 32.4 | Very low | 34.2 | Very low | 90 Ų | 90 | 126 Ų | 126 | 63% | 0.629 | 76% | 0.76 | S | S | * | * | trans | -45.4 | 150.8 | 173.7 | 173.2 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 74 | N | 30.4 | Very low | 34.4 | Very low | 151 Ų | 151 | 125.3 Ų | 125.3 | 81% | 0.807 | 75% | 0.752 | S | S | * | * | -172.1 | 161.8 | 114.6 | -89.7 | -8.4 | 0 | 0 | 0 | 115.9 | |||||
| 75 | S | 39.1 | Very low | 34.4 | Very low | 101 Ų | 101 | 128.7 Ų | 128.7 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 166.2 | -169.8 | 47.1 | 0 | 0 | 0 | 0 | 116 | ||
| 76 | P | 46.7 | Very low | 34.1 | Very low | 117 Ų | 117 | 127.4 Ų | 127.4 | 76% | 0.76 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 151.5 | 179.5 | 33.3 | -36.8 | 0 | 0 | 0 | 113.1 | ||
| 77 | P | 44.3 | Very low | 34.1 | Very low | 128 Ų | 128 | 127.5 Ų | 127.5 | 83% | 0.831 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -93 | 147.2 | 170.7 | 35.1 | -31.9 | 0 | 0 | 0 | 113 | ||
| 78 | S | 31.9 | Very low | 34 | Very low | 107 Ų | 107 | 126.7 Ų | 126.7 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | trans | -106.6 | 146.5 | 174.3 | -67.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 79 | I | 34.5 | Very low | 34.3 | Very low | 154 Ų | 154 | 129.1 Ų | 129.1 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | trans | 40.9 | 122.1 | 141.9 | -48.5 | 161.8 | 0 | 0 | 0 | 119.7 | ||||
| 80 | D | 29.3 | Very low | 34.4 | Very low | 151 Ų | 151 | 131.1 Ų | 131.1 | 81% | 0.807 | 78% | 0.781 | S | S | * | * | trans | -176.2 | 149.4 | 138 | -108 | -28.9 | 0 | 0 | 0 | 109.8 | ||||
| 81 | S | 33.4 | Very low | 34.8 | Very low | 99 Ų | 99 | 130.1 Ų | 130.1 | 69% | 0.692 | 78% | 0.775 | S | S | * | * | cis | -160.3 | 166.7 | -28.5 | 19.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 82 | L | 38.9 | Very low | 35.6 | Very low | 150 Ų | 150 | 131 Ų | 131 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | trans | -74.7 | 167.3 | 179 | -79.8 | 120.1 | 0 | 0 | 0 | 114.4 | ||||
| 83 | P | 40.2 | Very low | 35.4 | Very low | 126 Ų | 126 | 129.5 Ų | 129.5 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -98.6 | 157.8 | 135.5 | 34.4 | -30.5 | 0 | 0 | 0 | 112.3 | ||||
| 84 | H | 32.7 | Very low | 35.5 | Very low | 139 Ų | 139 | 130.1 Ų | 130.1 | 64% | 0.644 | 79% | 0.786 | S | S | * | * | trans | -128.7 | 152 | -141.1 | -133.8 | 144.8 | 0 | 0 | 0 | 113.3 | ||||
| 85 | F | 32.5 | Very low | 35.7 | Very low | 172 Ų | 172 | 131.1 Ų | 131.1 | 75% | 0.754 | 79% | 0.789 | S | S | * | * | trans | 65.2 | 153.6 | 159.9 | -61 | -61 | 0 | 0 | 0 | 117.7 | ||||
| 86 | S | 30.2 | Very low | 35.3 | Very low | 112 Ų | 112 | 132.3 Ų | 132.3 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | cis | -137.3 | 148.3 | 13.2 | -62.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 87 | S | 33.2 | Very low | 34.7 | Very low | 114 Ų | 114 | 132 Ų | 132 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | trans | -85.3 | 149 | 165 | -46.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 88 | S | 29.8 | Very low | 34.2 | Very low | 122 Ų | 122 | 133.9 Ų | 133.9 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | trans | -135.1 | 124.4 | 159.8 | -73.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 89 | L | 35.9 | Very low | 34.7 | Very low | 159 Ų | 159 | 137 Ų | 137 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | trans | -69.1 | 147.2 | 169.4 | -80.6 | 66.5 | 0 | 0 | 0 | 110.1 | ||||
| 90 | T | 32.5 | Very low | 35.3 | Very low | 143 Ų | 143 | 135.1 Ų | 135.1 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | -173.4 | 128.8 | 125.2 | 17.3 | 0 | 0 | 0 | 0 | 112 | |||||
| 91 | T | 37.8 | Very low | 36 | Very low | 131 Ų | 131 | 133.4 Ų | 133.4 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | -89.2 | -177.6 | 158.2 | 50 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 92 | P | 49.6 | Very low | 36.5 | Very low | 119 Ų | 119 | 134.8 Ų | 134.8 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | -123.4 | 161.8 | -64.6 | 36.8 | -24.2 | 0 | 0 | 0 | 111 | |||||
| 93 | C | 28.5 | Very low | 36.3 | Very low | 134 Ų | 134 | 133 Ų | 133 | 91% | 0.905 | 80% | 0.797 | S | S | * | * | trans | -156 | 146.7 | 155.2 | -141.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 94 | S | 34.9 | Very low | 36.5 | Very low | 104 Ų | 104 | 133.3 Ų | 133.3 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | trans | -77.3 | 160.5 | -176.2 | -47.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 95 | I | 33.5 | Very low | 36.5 | Very low | 171 Ų | 171 | 134.1 Ų | 134.1 | 88% | 0.877 | 81% | 0.805 | S | S | * | * | -168.8 | 132.7 | 120.7 | -94.1 | 149.9 | 0 | 0 | 0 | 112.3 | |||||
| 96 | L | 30.3 | Very low | 36.9 | Very low | 126 Ų | 126 | 132 Ų | 132 | 66% | 0.66 | 81% | 0.806 | S | S | * | * | trans | -31 | 140.7 | 165.1 | -167.2 | 79.2 | 0 | 0 | 0 | 118.8 | Q98 | L96-Q98 HydrophobicContact CD1-CG 4.49Å; L96-Q98 HydrophobicContact CG-CG 4.47Å | ||
| 97 | S | 34.4 | Very low | 37.3 | Very low | 110 Ų | 110 | 133.9 Ų | 133.9 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | trans | 177.4 | 95.1 | 132.5 | -77.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 98 | Q | 35.1 | Very low | 38 | Very low | 168 Ų | 168 | 133.4 Ų | 133.4 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | 61 | 97.8 | 92.2 | -71.7 | -171.5 | -15.6 | 0 | 0 | 115.5 | L96 | L96-Q98 HydrophobicContact CD1-CG 4.49Å; L96-Q98 HydrophobicContact CG-CG 4.47Å | |||
| 99 | L | 41.1 | Very low | 38.5 | Very low | 173 Ų | 173 | 137 Ų | 137 | 91% | 0.906 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -90.6 | 132.5 | 158.7 | -90.4 | 145.1 | 0 | 0 | 0 | 109.4 | ||
| 100 | P | 46.7 | Very low | 39 | Very low | 114 Ų | 114 | 135.5 Ų | 135.5 | 74% | 0.74 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 154.7 | 172 | 33.1 | -33.5 | 0 | 0 | 0 | 112.1 | ||
| 101 | P | 45.2 | Very low | 39.5 | Very low | 116 Ų | 116 | 134.7 Ų | 134.7 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 163.6 | -177.2 | 35.4 | -36.5 | 0 | 0 | 0 | 113.6 | ||
| 102 | S | 44.5 | Very low | 39.6 | Very low | 128 Ų | 128 | 133.8 Ų | 133.8 | 90% | 0.895 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 131.8 | 171.2 | -50.7 | 0 | 0 | 0 | 0 | 112.3 | ||
| 103 | S | 33.5 | Very low | 38.8 | Very low | 112 Ų | 112 | 134.1 Ų | 134.1 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | trans | -122.9 | 130.3 | 169.6 | -79.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 104 | T | 44.6 | Very low | 39.3 | Very low | 133 Ų | 133 | 132.6 Ų | 132.6 | 82% | 0.816 | 79% | 0.787 | S | S | * | * | trans | -59.9 | 132.4 | 169.8 | -43.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 105 | L | 32 | Very low | 39.6 | Very low | 156 Ų | 156 | 136.7 Ų | 136.7 | 82% | 0.817 | 79% | 0.792 | S | S | * | * | trans | -136.5 | 118.1 | 158.5 | -82.5 | -179.1 | 0 | 0 | 0 | 112.1 | ||||
| 106 | V | 41.4 | Very low | 40.4 | Very low | 127 Ų | 127 | 133.8 Ų | 133.8 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | trans | -70.1 | 137.6 | 159.1 | 172.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 107 | L | 39.2 | Very low | 41.1 | Very low | 151 Ų | 151 | 133.6 Ų | 133.6 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | trans | -136.8 | 156.6 | 166.3 | -81.9 | 178.2 | 0 | 0 | 0 | 111.6 | ||||
| 108 | P | 48 | Very low | 41.5 | Very low | 104 Ų | 104 | 135.1 Ų | 135.1 | 68% | 0.675 | 80% | 0.795 | S | S | * | * | trans | -103.3 | 171.6 | -151.9 | 39.9 | -37.4 | 0 | 0 | 0 | 115 | ||||
| 109 | F | 40.7 | Very low | 41.8 | Very low | 199 Ų | 199 | 134.5 Ų | 134.5 | 87% | 0.873 | 80% | 0.797 | S | S | * | * | trans | -55.2 | 148.2 | 164.5 | -60.3 | -86.1 | 0 | 0 | 0 | 112.3 | ||||
| 110 | P | 46.6 | Very low | 42.1 | Very low | 126 Ų | 126 | 131.5 Ų | 131.5 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | -128.8 | 162 | 117.2 | 36.9 | -30.9 | 0 | 0 | 0 | 113.6 | |||||
| 111 | T | 41.2 | Very low | 42.4 | Very low | 126 Ų | 126 | 132 Ų | 132 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | trans | -92.3 | 166.6 | -175.5 | 43.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 112 | S | 39.9 | Very low | 43 | Very low | 113 Ų | 113 | 132.5 Ų | 132.5 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | trans | 93.3 | 105.4 | 155.6 | -32.9 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 113 | S | 34.3 | Very low | 43.2 | Very low | 126 Ų | 126 | 134.4 Ų | 134.4 | 88% | 0.881 | 80% | 0.796 | S | S | * | * | -173.9 | 170.9 | 113.1 | -160.3 | 0 | 0 | 0 | 0 | 111 | |||||
| 114 | T | 38.8 | Very low | 44.1 | Very low | 101 Ų | 101 | 134.7 Ų | 134.7 | 62% | 0.62 | 80% | 0.795 | S | S | * | * | trans | -128.5 | 160.9 | -152.4 | -45.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 115 | F | 40.9 | Very low | 44.6 | Very low | 191 Ų | 191 | 134.3 Ų | 134.3 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | trans | 82.1 | 157.9 | 165.5 | -51.9 | -72.2 | 0 | 0 | 0 | 118.1 | ||||
| 116 | P | 50.8 | Low | 45.1 | Very low | 109 Ų | 109 | 134.6 Ų | 134.6 | 71% | 0.708 | 80% | 0.797 | S | S | * | * | cis | -128.6 | 175.6 | -42 | 35.5 | -19.1 | 0 | 0 | 0 | 112.3 | ||||
| 117 | P | 44.9 | Very low | 45.5 | Very low | 123 Ų | 123 | 134.3 Ų | 134.3 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | trans | -82.3 | 161.7 | -176.9 | 34 | -36 | 0 | 0 | 0 | 114.2 | ||||
| 118 | V | 43 | Very low | 45.4 | Very low | 142 Ų | 142 | 132.2 Ų | 132.2 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | trans | -108.3 | 130.1 | 173.2 | 172 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 119 | D | 41.5 | Very low | 44.8 | Very low | 154 Ų | 154 | 132.7 Ų | 132.7 | 82% | 0.824 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 149.2 | -176.9 | -74 | -53.9 | 0 | 0 | 0 | 114.3 | ||
| 120 | S | 46.3 | Very low | 44.4 | Very low | 111 Ų | 111 | 129.3 Ų | 129.3 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -97.8 | 138.1 | 170.9 | -62 | 0 | 0 | 0 | 0 | 111 | ||
| 121 | P | 53.3 | Low | 44.1 | Very low | 125 Ų | 125 | 128.5 Ų | 128.5 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 139.8 | 176.3 | 30.5 | -33.7 | 0 | 0 | 0 | 112.3 | ||
| 122 | P | 56.9 | Low | 44.8 | Very low | 126 Ų | 126 | 128 Ų | 128 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 155.1 | -176.3 | 34.4 | -35.6 | 0 | 0 | 0 | 114.7 | ||
| 123 | L | 49.9 | Very low | 44.4 | Very low | 168 Ų | 168 | 130.2 Ų | 130.2 | 88% | 0.88 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 146 | 169 | -76 | 153.3 | 0 | 0 | 0 | 112 | ||
| 124 | P | 51.4 | Low | 44.4 | Very low | 117 Ų | 117 | 129.6 Ų | 129.6 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 142.8 | 170.1 | 32.7 | -32.9 | 0 | 0 | 0 | 112 | ||
| 125 | P | 55.4 | Low | 44.1 | Very low | 125 Ų | 125 | 129.3 Ų | 129.3 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 155.6 | -177.7 | 34.6 | -35.4 | 0 | 0 | 0 | 114.2 | ||
| 126 | L | 43.4 | Very low | 43.6 | Very low | 163 Ų | 163 | 125.5 Ų | 125.5 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -94.9 | 141 | 173.8 | -154.6 | 84.5 | 0 | 0 | 0 | 110.9 | ||
| 127 | P | 48.9 | Very low | 42.7 | Very low | 121 Ų | 121 | 123.6 Ų | 123.6 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | trans | -111.2 | 145.2 | 159.3 | 34.8 | -27.1 | 0 | 0 | 0 | 112.6 | ||||
| 128 | S | 37.5 | Very low | 42.3 | Very low | 107 Ų | 107 | 127.2 Ų | 127.2 | 75% | 0.748 | 81% | 0.811 | S | S | * | * | trans | -102.7 | 164.1 | -173.9 | -55.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 129 | S | 35.6 | Very low | 41.8 | Very low | 113 Ų | 113 | 125 Ų | 125 | 79% | 0.79 | 81% | 0.808 | S | S | * | * | trans | 75.8 | 144 | 176.4 | -140.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 130 | V | 32.3 | Very low | 41.6 | Very low | 128 Ų | 128 | 122.1 Ų | 122.1 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | cis | -151.5 | 161 | 27.5 | -151.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 131 | S | 38.8 | Very low | 42 | Very low | 109 Ų | 109 | 122.3 Ų | 122.3 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | trans | -138.1 | 162.8 | 160.2 | -67 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 132 | P | 57.8 | Low | 42 | Very low | 115 Ų | 115 | 121.6 Ų | 121.6 | 75% | 0.747 | 80% | 0.799 | S | S | * | * | cis | -141.1 | -145.5 | 17.2 | 42.3 | -19.8 | 0 | 0 | 0 | 114.3 | ||||
| 133 | L | 30.9 | Very low | 41.3 | Very low | 160 Ų | 160 | 121.1 Ų | 121.1 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | trans | 95.1 | 134.8 | 178.4 | -56.2 | 162.6 | 0 | 0 | 0 | 113.8 | ||||
| 134 | S | 33.8 | Very low | 40.5 | Very low | 113 Ų | 113 | 121.3 Ų | 121.3 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | cis | -139.4 | 148 | 13.7 | -65 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 135 | A | 32.6 | Very low | 40.7 | Very low | 96 Ų | 96 | 121.1 Ų | 121.1 | 79% | 0.793 | 79% | 0.788 | S | S | * | * | cis | 85.9 | 93.4 | 43.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 136 | A | 31.2 | Very low | 40.8 | Very low | 111 Ų | 111 | 120.6 Ų | 120.6 | 92% | 0.917 | 79% | 0.785 | S | S | * | * | trans | -177 | 130 | 148.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 137 | G | 30.9 | Very low | 40.3 | Very low | 68 Ų | 68 | 121.2 Ų | 121.2 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | cis | 178.2 | 163.7 | -10.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 138 | M | 37.6 | Very low | 40 | Very low | 199 Ų | 199 | 121.9 Ų | 121.9 | 98% | 0.98 | 79% | 0.788 | S | S | * | * | trans | 72.4 | 134.7 | 164.8 | -53.1 | -150.7 | 148.2 | 0 | 0 | 117.6 | ||||
| 139 | A | 32.7 | Very low | 39.8 | Very low | 97 Ų | 97 | 119.7 Ų | 119.7 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | cis | -149.4 | 153.4 | 0.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 140 | A | 36.4 | Very low | 39.9 | Very low | 92 Ų | 92 | 124.1 Ų | 124.1 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | trans | -83.5 | -174.4 | 157 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 141 | P | 54.8 | Low | 40.4 | Very low | 115 Ų | 115 | 127.2 Ų | 127.2 | 75% | 0.747 | 79% | 0.791 | S | S | * | * | cis | -147.6 | -143.9 | 20.2 | 40.4 | -14.7 | 0 | 0 | 0 | 113 | ||||
| 142 | P | 54.3 | Low | 40.3 | Very low | 110 Ų | 110 | 129.2 Ų | 129.2 | 71% | 0.714 | 80% | 0.798 | S | S | * | * | -121.7 | -173.4 | -54.7 | 21.1 | 1 | 0 | 0 | 0 | 113.1 | |||||
| 143 | V | 40.4 | Very low | 39.3 | Very low | 117 Ų | 117 | 129.3 Ų | 129.3 | 71% | 0.709 | 80% | 0.802 | S | S | * | * | 141 | 104.7 | 126.7 | 170.6 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 144 | H | 34.7 | Very low | 39.6 | Very low | 171 Ų | 171 | 125.9 Ų | 125.9 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | trans | 60.3 | 137 | 141.7 | -67.4 | -112.8 | 0 | 0 | 0 | 124.9 | ||||
| 145 | P | 55.5 | Low | 39.6 | Very low | 114 Ų | 114 | 123.5 Ų | 123.5 | 74% | 0.74 | 79% | 0.79 | S | S | * | * | trans | -101.8 | -168.3 | 151.8 | 43.1 | -34.3 | 0 | 0 | 0 | 110.7 | ||||
| 146 | P | 56.4 | Low | 39.9 | Very low | 113 Ų | 113 | 129.7 Ų | 129.7 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | cis | -124 | -165.8 | -18.5 | 38.9 | -21.5 | 0 | 0 | 0 | 112.1 | ||||
| 147 | M | 34.2 | Very low | 39.9 | Very low | 177 Ų | 177 | 130.1 Ų | 130.1 | 87% | 0.872 | 78% | 0.781 | S | S | * | * | 159.3 | 152.8 | 127.3 | -84 | -167.7 | 84.5 | 0 | 0 | 115.1 | |||||
| 148 | T | 41.4 | Very low | 40.5 | Very low | 135 Ų | 135 | 135 Ų | 135 | 83% | 0.828 | 79% | 0.789 | S | S | * | * | trans | -94 | 156.4 | 171.2 | 34.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 149 | G | 34.5 | Very low | 40.6 | Very low | 61 Ų | 61 | 130.4 Ų | 130.4 | 63% | 0.629 | 77% | 0.773 | S | S | * | * | trans | 168.7 | 107.9 | 164.1 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 150 | F | 37.3 | Very low | 41 | Very low | 205 Ų | 205 | 135.2 Ų | 135.2 | 90% | 0.899 | 78% | 0.778 | S | S | * | * | trans | 80.5 | 156.4 | 139.3 | -58.7 | -71.8 | 0 | 0 | 0 | 123.8 | ||||
| 151 | F | 42.3 | Very low | 40.9 | Very low | 194 Ų | 194 | 133.9 Ų | 133.9 | 85% | 0.851 | 77% | 0.774 | S | S | * | * | trans | -100 | 158.6 | -165.1 | -66.5 | -112.8 | 0 | 0 | 0 | 113 | ||||
| 152 | T | 36.6 | Very low | 40.2 | Very low | 150 Ų | 150 | 137.5 Ų | 137.5 | 92% | 0.92 | 78% | 0.78 | S | S | * | * | trans | -140.3 | 141.6 | 135 | 40.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 153 | S | 36.3 | Very low | 39.4 | Very low | 118 Ų | 118 | 136.8 Ų | 136.8 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | trans | -113 | 139 | 176.3 | 172.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 154 | A | 38.7 | Very low | 39.1 | Very low | 87 Ų | 87 | 134.9 Ų | 134.9 | 72% | 0.719 | 79% | 0.787 | S | S | * | * | trans | -159.1 | 134.2 | 153.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 155 | G | 32.3 | Very low | 39.4 | Very low | 63 Ų | 63 | 138.7 Ų | 138.7 | 65% | 0.649 | 80% | 0.795 | S | S | * | * | cis | 126.8 | 71.8 | 2.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 156 | Y | 38.5 | Very low | 38.7 | Very low | 226 Ų | 226 | 138.3 Ų | 138.3 | 89% | 0.886 | 79% | 0.791 | S | S | * | * | trans | -123.5 | 104.7 | 168.4 | -37.7 | -61.8 | 0 | 0 | 0 | 108.8 | ||||
| 157 | D | 32 | Very low | 37.8 | Very low | 121 Ų | 121 | 139.1 Ų | 139.1 | 65% | 0.647 | 80% | 0.796 | S | S | * | * | trans | -98 | 126.8 | 169.2 | 168.8 | 8.5 | 0 | 0 | 0 | 107.2 | T159 | D157-T159 WeakPolarHBondContact OD1-CG2 3.32Å; D157-T159 PolarHBondContact OD1-N 2.93Å; D157-T159 PolarHBondContact OD1-OG1 2.98Å | ||
| 158 | I | 43.3 | Very low | 38.1 | Very low | 170 Ų | 170 | 138.5 Ų | 138.5 | 87% | 0.872 | 79% | 0.791 | S | S | * | * | trans | -129.1 | 82.1 | 157.9 | -57 | -177.6 | 0 | 0 | 0 | 107.9 | ||||
| 159 | T | 40.6 | Very low | 38 | Very low | 103 Ų | 103 | 137.7 Ų | 137.7 | 63% | 0.632 | 79% | 0.786 | S | S | * | * | trans | -56.9 | 158.6 | 156.3 | 33.1 | 0 | 0 | 0 | 0 | 112.1 | D157 | D157-T159 WeakPolarHBondContact OD1-CG2 3.32Å; D157-T159 PolarHBondContact OD1-N 2.93Å; D157-T159 PolarHBondContact OD1-OG1 2.98Å | ||
| 160 | Q | 41.6 | Very low | 38.4 | Very low | 197 Ų | 197 | 140.9 Ų | 140.9 | 92% | 0.921 | 80% | 0.796 | S | S | * | * | trans | 113.6 | 100.5 | 148.5 | -161.2 | 170.1 | 7.4 | 0 | 0 | 117.1 | ||||
| 161 | G | 32.9 | Very low | 38.4 | Very low | 64 Ų | 64 | 139 Ų | 139 | 66% | 0.66 | 79% | 0.794 | S | S | * | * | trans | 160 | 78.6 | 161.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 162 | H | 41.6 | Very low | 38.2 | Very low | 191 Ų | 191 | 137.3 Ų | 137.3 | 88% | 0.884 | 79% | 0.791 | S | S | * | * | trans | 51.6 | 105.5 | 153.2 | -57.5 | -67.5 | 0 | 0 | 0 | 119.6 | ||||
| 163 | A | 37.2 | Very low | 38.4 | Very low | 96 Ų | 96 | 135 Ų | 135 | 79% | 0.793 | 78% | 0.778 | S | S | * | * | 94.7 | 94 | 70.1 | 0 | 0 | 0 | 0 | 0 | 115 | |||||
| 164 | G | 33.7 | Very low | 38.2 | Very low | 76 Ų | 76 | 134.6 Ų | 134.6 | 78% | 0.784 | 77% | 0.771 | S | S | * | * | trans | 73.3 | 105.7 | 135.4 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 165 | R | 41.5 | Very low | 38.1 | Very low | 251 Ų | 251 | 139.8 Ų | 139.8 | 95% | 0.947 | 78% | 0.778 | S | S | * | * | -162.1 | 150.5 | 122.1 | -113.1 | 169.7 | 175.7 | 170.5 | -2.2 | 112.4 | |||||
| 166 | T | 39.6 | Very low | 38.1 | Very low | 106 Ų | 106 | 142.1 Ų | 142.1 | 65% | 0.65 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 152.7 | 178 | 43.8 | 0 | 0 | 0 | 0 | 112.2 | Q168 | T166-Q168 PolarHBondContact O-N 2.95Š|
| 167 | P | 37.8 | Very low | 37.7 | Very low | 131 Ų | 131 | 138.7 Ų | 138.7 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 122.8 | 169.1 | 28.7 | -32.7 | 0 | 0 | 0 | 109.9 | ||
| 168 | Q | 39.7 | Very low | 37.6 | Very low | 164 Ų | 164 | 137.5 Ų | 137.5 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -98.8 | 130.2 | 170 | -78.9 | -78.2 | -27.9 | 0 | 0 | 108.9 | T166 | T166-Q168 PolarHBondContact O-N 2.95Š|
| 169 | T | 40.2 | Very low | 37.4 | Very low | 118 Ų | 118 | 134 Ų | 134 | 72% | 0.724 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 136 | 174.1 | 17 | 0 | 0 | 0 | 0 | 111.2 | L171 | T169-L171 PolarHBondContact O-N 3.13Š|
| 170 | P | 43.8 | Very low | 37.3 | Very low | 128 Ų | 128 | 135 Ų | 135 | 83% | 0.831 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 120.4 | 170.2 | 28.8 | -31.2 | 0 | 0 | 0 | 110.4 | ||
| 171 | L | 36 | Very low | 37.1 | Very low | 166 Ų | 166 | 133.4 Ų | 133.4 | 87% | 0.869 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 146.9 | 174.2 | -84.5 | 155.9 | 0 | 0 | 0 | 111.8 | T169 | T169-L171 PolarHBondContact O-N 3.13Š|
| 172 | M | 39.3 | Very low | 37.3 | Very low | 157 Ų | 157 | 136.2 Ų | 136.2 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 140.9 | 169.4 | -82.9 | -67.7 | -58.1 | 0 | 0 | 112.6 | T174 | M172-T174 PolarHBondContact O-N 3.5Š|
| 173 | P | 40.7 | Very low | 36.7 | Very low | 101 Ų | 101 | 130.3 Ų | 130.3 | 66% | 0.656 | 78% | 0.779 | S | S | * | * | trans | -82.3 | 105.1 | 164.5 | 31.8 | -30.3 | 0 | 0 | 0 | 110.9 | F175 | P173-F175 HydrophobicContact CB-CE2 4.33Š| ||
| 174 | T | 31.8 | Very low | 36.4 | Very low | 110 Ų | 110 | 132.4 Ų | 132.4 | 68% | 0.675 | 78% | 0.782 | S | S | * | * | trans | -91.8 | 129.7 | 159.9 | -63.7 | 0 | 0 | 0 | 0 | 108.9 | M172 | M172-T174 PolarHBondContact O-N 3.5Š| ||
| 175 | F | 36 | Very low | 36.3 | Very low | 197 Ų | 197 | 134.3 Ų | 134.3 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | trans | -125.6 | 121 | 161.6 | -74.7 | -76.8 | 0 | 0 | 0 | 109.9 | P173 | P173-F175 HydrophobicContact CB-CE2 4.33Š| ||
| 176 | S | 32 | Very low | 35.8 | Very low | 111 Ų | 111 | 127.4 Ų | 127.4 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | trans | -95.3 | 151.6 | -178 | -64.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 177 | N | 30.1 | Very low | 35.3 | Very low | 155 Ų | 155 | 128.5 Ų | 128.5 | 83% | 0.829 | 77% | 0.77 | S | S | * | * | trans | -57.5 | 146.7 | 174.5 | 177.3 | 53.7 | 0 | 0 | 0 | 114.4 | ||||
| 178 | A | 31 | Very low | 34.9 | Very low | 95 Ų | 95 | 128.6 Ų | 128.6 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | trans | -153.2 | 130.2 | 158 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 179 | S | 37.5 | Very low | 34.7 | Very low | 98 Ų | 98 | 126 Ų | 126 | 69% | 0.685 | 76% | 0.758 | S | S | * | * | trans | -119 | 144.7 | 164.3 | 172.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 180 | P | 38.8 | Very low | 34.5 | Very low | 124 Ų | 124 | 130 Ų | 130 | 81% | 0.805 | 76% | 0.761 | S | S | * | * | -145.5 | 149 | 118.7 | 34.5 | -18.2 | 0 | 0 | 0 | 115.9 | |||||
| 181 | M | 37 | Very low | 33.9 | Very low | 162 Ų | 162 | 132.2 Ų | 132.2 | 80% | 0.798 | 76% | 0.758 | S | S | * | * | trans | -69.6 | 175.5 | 158.9 | -69.4 | -77.6 | -82.1 | 0 | 0 | 110.6 | ||||
| 182 | P | 37.5 | Very low | 33.6 | Very low | 124 Ų | 124 | 133.1 Ų | 133.1 | 81% | 0.805 | 76% | 0.757 | S | S | * | * | cis | -145.5 | 172.2 | 15.7 | 42 | -22.7 | 0 | 0 | 0 | 118.7 | ||||
| 183 | G | 29.5 | Very low | 33 | Very low | 67 Ų | 67 | 131.1 Ų | 131.1 | 69% | 0.691 | 76% | 0.759 | S | S | * | * | trans | 132.5 | 139.3 | 133.8 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 184 | V | 30.2 | Very low | 32.5 | Very low | 140 Ų | 140 | 130.8 Ų | 130.8 | 85% | 0.848 | 77% | 0.765 | S | S | * | * | trans | 88.3 | 99.1 | 151.6 | 158.3 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 185 | V | 33 | Very low | 32.6 | Very low | 116 Ų | 116 | 132.2 Ų | 132.2 | 70% | 0.703 | 77% | 0.773 | S | S | * | * | trans | 22.2 | 149.8 | 131.2 | -107.9 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 186 | S | 30.7 | Very low | 32.4 | Very low | 105 Ų | 105 | 129.7 Ų | 129.7 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | cis | -149.3 | 150.5 | 16.5 | -72.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 187 | D | 28.8 | Very low | 32.2 | Very low | 130 Ų | 130 | 127.9 Ų | 127.9 | 70% | 0.695 | 77% | 0.773 | S | S | * | * | cis | 94.4 | 111.8 | 46.7 | -136.5 | -8.8 | 0 | 0 | 0 | 114.7 | ||||
| 188 | T | 30.3 | Very low | 32.1 | Very low | 133 Ų | 133 | 123.8 Ų | 123.8 | 82% | 0.816 | 77% | 0.768 | S | S | * | * | trans | 169.6 | 147.8 | 153.4 | 22.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 189 | I | 34.3 | Very low | 32.1 | Very low | 110 Ų | 110 | 126.5 Ų | 126.5 | 56% | 0.564 | 77% | 0.768 | S | S | * | * | cis | -171.9 | 160.5 | -47.2 | -106 | 162.8 | 0 | 0 | 0 | 107.8 | ||||
| 190 | Y | 35.3 | Very low | 31.9 | Very low | 200 Ų | 200 | 128.5 Ų | 128.5 | 78% | 0.784 | 77% | 0.771 | S | S | * | * | trans | 88.1 | 130.7 | 176.3 | -56.1 | -53.1 | 0 | 0 | 0 | 117 | ||||
| 191 | K | 31.3 | Very low | 31.7 | Very low | 176 Ų | 176 | 129.7 Ų | 129.7 | 77% | 0.765 | 78% | 0.776 | S | S | * | * | cis | -155.4 | 144.9 | -0.9 | -137.9 | 156.1 | -173.3 | 174.6 | 0 | 113.7 | ||||
| 192 | H | 30.7 | Very low | 31.4 | Very low | 184 Ų | 184 | 125.1 Ų | 125.1 | 85% | 0.852 | 77% | 0.77 | S | S | * | * | trans | -35.8 | 152.8 | 171.5 | -64.4 | -105.9 | 0 | 0 | 0 | 116.5 | ||||
| 193 | S | 26.4 | Very low | 31.3 | Very low | 115 Ų | 115 | 125.1 Ų | 125.1 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | -169.5 | 159.2 | 70.2 | -166.4 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 194 | A | 30.8 | Very low | 32 | Very low | 94 Ų | 94 | 126.8 Ų | 126.8 | 78% | 0.777 | 77% | 0.772 | S | S | * | * | trans | -136.7 | 133.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 195 | V | 33.8 | Very low | 32.4 | Very low | 141 Ų | 141 | 128 Ų | 128 | 86% | 0.855 | 77% | 0.772 | S | S | * | * | trans | -144.2 | 140.7 | 165.5 | 169.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 196 | T | 32 | Very low | 32.4 | Very low | 143 Ų | 143 | 128 Ų | 128 | 88% | 0.877 | 77% | 0.773 | S | S | * | * | trans | -87.6 | 144 | -177.5 | -49.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 197 | G | 28.1 | Very low | 32.7 | Very low | 73 Ų | 73 | 131.9 Ų | 131.9 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | trans | 130.6 | 126.3 | 142.8 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 198 | G | 27 | Very low | 33 | Very low | 70 Ų | 70 | 131.6 Ų | 131.6 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | trans | 98.6 | 113.2 | 130.4 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 199 | L | 32.2 | Very low | 33.2 | Very low | 152 Ų | 152 | 134 Ų | 134 | 80% | 0.796 | 78% | 0.784 | S | S | * | * | trans | 63.2 | 120.5 | 145.8 | -76.8 | 82.5 | 0 | 0 | 0 | 122.1 | ||||
| 200 | N | 31.9 | Very low | 33.4 | Very low | 140 Ų | 140 | 137.7 Ų | 137.7 | 75% | 0.749 | 80% | 0.799 | S | S | * | * | 66.1 | 105.2 | 126.8 | -55.3 | 8.3 | 0 | 0 | 0 | 121.6 | |||||
| 201 | T | 35.8 | Very low | 33.4 | Very low | 148 Ų | 148 | 136 Ų | 136 | 91% | 0.908 | 80% | 0.803 | S | S | * | * | trans | -170.4 | 131.8 | 134.5 | 14.7 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 202 | G | 30.9 | Very low | 33.5 | Very low | 66 Ų | 66 | 136.9 Ų | 136.9 | 68% | 0.68 | 81% | 0.81 | S | S | * | * | cis | 86 | 112.9 | 32.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 203 | S | 34.4 | Very low | 33.7 | Very low | 124 Ų | 124 | 135.4 Ų | 135.4 | 87% | 0.867 | 81% | 0.809 | S | S | * | * | cis | -161.2 | 174.8 | 39.4 | -84.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 204 | P | 43.3 | Very low | 34.8 | Very low | 102 Ų | 102 | 134.9 Ų | 134.9 | 66% | 0.662 | 80% | 0.802 | S | S | * | * | trans | -110.8 | 175.5 | -152.6 | 41.9 | -35.5 | 0 | 0 | 0 | 115.9 | ||||
| 205 | I | 39.2 | Very low | 35 | Very low | 166 Ų | 166 | 141.5 Ų | 141.5 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -98.1 | 120.7 | 157.1 | -69.1 | 176.9 | 0 | 0 | 0 | 108.1 | ||
| 206 | T | 33.8 | Very low | 35 | Very low | 117 Ų | 117 | 141 Ų | 141 | 72% | 0.718 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -93 | 133 | -174.1 | -64 | 0 | 0 | 0 | 0 | 111.2 | ||
| 207 | F | 36.8 | Very low | 34.9 | Very low | 185 Ų | 185 | 139 Ų | 139 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 144.5 | 161.7 | -73.9 | -93.6 | 0 | 0 | 0 | 109.4 | E209 | F207-E209 PolarHBondContact O-N 2.76Å; F207-E209 VanDerWaalsContact O-N 3.17Å |
| 208 | P | 35.7 | Very low | 35.1 | Very low | 124 Ų | 124 | 144.3 Ų | 144.3 | 81% | 0.805 | 80% | 0.801 | S | S | * | * | trans | -67.7 | 114 | 172.3 | -14.3 | 29.2 | 0 | 0 | 0 | 110 | ||||
| 209 | E | 34.4 | Very low | 35.3 | Very low | 185 Ų | 185 | 147.6 Ų | 147.6 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | trans | -103.2 | 125.9 | 162.9 | -159 | 163.6 | -177.1 | 0 | 0 | 105.7 | F207 | F207-E209 PolarHBondContact O-N 2.76Å; F207-E209 VanDerWaalsContact O-N 3.17Å | ||
| 210 | E | 38.1 | Very low | 35.3 | Very low | 186 Ų | 186 | 145.3 Ų | 145.3 | 87% | 0.869 | 80% | 0.795 | S | S | * | * | trans | -91 | 104 | -174 | -64.6 | -176.3 | 149.6 | 0 | 0 | 109.5 | ||||
| 211 | D | 34.7 | Very low | 35.3 | Very low | 165 Ų | 165 | 145.2 Ų | 145.2 | 88% | 0.882 | 80% | 0.799 | S | S | * | * | trans | -72.6 | 134.4 | 174.5 | -93.1 | -46.4 | 0 | 0 | 0 | 111.8 | ||||
| 212 | E | 34.1 | Very low | 35.3 | Very low | 194 Ų | 194 | 143.3 Ų | 143.3 | 91% | 0.907 | 79% | 0.792 | S | S | * | * | trans | -84.7 | 155 | 169.9 | -66.2 | -154.8 | 120.7 | 0 | 0 | 112.4 | ||||
| 213 | D | 34.4 | Very low | 35.8 | Very low | 154 Ų | 154 | 145.5 Ų | 145.5 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | trans | -119.6 | 136.7 | 167.3 | -167.4 | 53.9 | 0 | 0 | 0 | 110.2 | ||||
| 214 | P | 48.7 | Very low | 36 | Very low | 104 Ų | 104 | 149.8 Ų | 149.8 | 68% | 0.675 | 80% | 0.798 | S | S | * | * | trans | -104.8 | 147.2 | -146.3 | 37.8 | -34.7 | 0 | 0 | 0 | 115 | ||||
| 215 | R | 35.5 | Very low | 36.2 | Very low | 232 Ų | 232 | 148.2 Ų | 148.2 | 88% | 0.875 | 80% | 0.8 | S | S | * | * | trans | -146.8 | 113.3 | 160.5 | -65.7 | -169.6 | -161.3 | 143 | 14.6 | 115.2 | ||||
| 216 | V | 33 | Very low | 37.1 | Very low | 130 Ų | 130 | 147.1 Ų | 147.1 | 79% | 0.788 | 80% | 0.795 | S | S | * | * | trans | 77 | 115.1 | 134.3 | -179.1 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 217 | S | 31.3 | Very low | 38 | Very low | 102 Ų | 102 | 153.5 Ų | 153.5 | 71% | 0.713 | 81% | 0.806 | S | S | * | * | trans | 79.9 | 110.4 | 145.2 | -69.1 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 218 | E | 31.1 | Very low | 38.8 | Very low | 184 Ų | 184 | 148.2 Ų | 148.2 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | 35.2 | 114.6 | 123.9 | -94.4 | 179.6 | 129 | 0 | 0 | 122.2 | |||||
| 219 | D | 31.4 | Very low | 39.6 | Very low | 139 Ų | 139 | 150.5 Ų | 150.5 | 74% | 0.743 | 80% | 0.801 | S | S | * | * | 85.1 | 126.9 | 120.7 | -135.1 | 52.6 | 0 | 0 | 0 | 123.4 | |||||
| 220 | T | 31.7 | Very low | 40.6 | Very low | 104 Ų | 104 | 148.6 Ų | 148.6 | 64% | 0.638 | 80% | 0.796 | S | S | * | * | trans | 48.6 | 98.1 | 147.8 | -59.2 | 0 | 0 | 0 | 0 | 120 | ||||
| 221 | T | 33.3 | Very low | 41.4 | Very low | 138 Ų | 138 | 149.7 Ų | 149.7 | 85% | 0.847 | 80% | 0.798 | S | S | * | * | -179.1 | 127.8 | 121 | 24.1 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 222 | S | 35.3 | Very low | 42.1 | Very low | 108 Ų | 108 | 145.3 Ų | 145.3 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | trans | -72.4 | 162.6 | 154.2 | 58.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 223 | P | 41.2 | Very low | 42.7 | Very low | 113 Ų | 113 | 142.8 Ų | 142.8 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | cis | -145 | 154.4 | 17.7 | 40.4 | -21.3 | 0 | 0 | 0 | 117.7 | ||||
| 224 | K | 39.6 | Very low | 43.3 | Very low | 213 Ų | 213 | 140.1 Ų | 140.1 | 93% | 0.926 | 79% | 0.789 | S | S | * | * | trans | 175.8 | 135.6 | 138.7 | -105 | 162.6 | -179.6 | 174.9 | 0 | 115.3 | ||||
| 225 | G | 45.8 | Very low | 43.4 | Very low | 70 Ų | 70 | 139 Ų | 139 | 72% | 0.722 | 80% | 0.796 | S | S | * | * | 77.1 | 97.9 | 129.1 | 0 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 226 | I | 58.2 | Low | 43.9 | Very low | 143 Ų | 143 | 132.7 Ų | 132.7 | 73% | 0.733 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -157 | -23.1 | 137.3 | 27.8 | 172.7 | 0 | 0 | 0 | 112.7 | G228 | I226-G228 PolarHBondContact O-N 2.83Š|
| 227 | W | 54.3 | Low | 44.9 | Very low | 250 Ų | 250 | 132.2 Ų | 132.2 | 95% | 0.947 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -76.6 | 47.4 | 176.7 | -74 | 87.5 | 0 | 0 | 0 | 114.1 | ||
| 228 | G | 52.7 | Low | 46 | Very low | 75 Ų | 75 | 132 Ų | 132 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | trans | -119.8 | 2.2 | -167.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | I226 | I226-G228 PolarHBondContact O-N 2.83Š| ||
| 229 | F | 52.4 | Low | 46.9 | Very low | 171 Ų | 171 | 127.4 Ų | 127.4 | 75% | 0.75 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -116 | -1.9 | -172.4 | 63.5 | -93.1 | 0 | 0 | 0 | 115.8 | ||
| 230 | L | 56.1 | Low | 47.7 | Very low | 145 Ų | 145 | 128.7 Ų | 128.7 | 76% | 0.759 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -103.8 | 30.5 | -175 | -93.8 | 161.7 | 0 | 0 | 0 | 114.7 | ||
| 231 | K | 54.7 | Low | 48.6 | Very low | 209 Ų | 209 | 129.4 Ų | 129.4 | 91% | 0.909 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -148.2 | 87.6 | 170.3 | -159.1 | 170.6 | -174.1 | 176.2 | 0 | 113.8 | ||
| 232 | G | 48.8 | Very low | 49.4 | Very low | 73 Ų | 73 | 127 Ų | 127 | 75% | 0.753 | 74% | 0.741 | S | S | * | * | trans | 119.8 | 90 | 152.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 233 | V | 47.3 | Very low | 50.2 | Low | 142 Ų | 142 | 127.3 Ų | 127.3 | 86% | 0.861 | 73% | 0.734 | S | S | * | * | trans | -136.2 | 112.3 | 137.6 | -175.9 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 234 | A | 46.4 | Very low | 50.4 | Low | 98 Ų | 98 | 126.5 Ų | 126.5 | 81% | 0.81 | 72% | 0.723 | S | S | * | * | trans | -78.9 | 141.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 235 | G | 51.6 | Low | 50.9 | Low | 79 Ų | 79 | 124.3 Ų | 124.3 | 81% | 0.814 | 71% | 0.713 | S | S | * | * | trans | 65.5 | 91.2 | 159.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 236 | N | 45.4 | Very low | 51.1 | Low | 101 Ų | 101 | 125.1 Ų | 125.1 | 54% | 0.54 | 71% | 0.705 | S | S | . | * | trans | -140.4 | 118.5 | 157.4 | -171.4 | -30.6 | 0 | 0 | 0 | 110.6 | V238 | N236-V238 PolarHBondContact O-N 3.25Å; N236-V238 WeakPolarHBondContact OD1-CB 3.39Å; N236-V238 WeakPolarHBondContact OD1-CG2 3.49Å; N236-V238 PolarHBondContact OD1-N 3.09Å | ||
| 237 | P | 54.4 | Low | 50.8 | Low | 119 Ų | 119 | 125.2 Ų | 125.2 | 77% | 0.773 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | -10.1 | -176.9 | 28.9 | -34.9 | 0 | 0 | 0 | 114.5 | ||
| 238 | V | 54.1 | Low | 50.5 | Low | 98 Ų | 98 | 119.2 Ų | 119.2 | 59% | 0.594 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | -22.2 | -173.4 | -177 | 0 | 0 | 0 | 0 | 113.2 | N236 K240 N241 | N236-V238 PolarHBondContact O-N 3.25Å; N236-V238 WeakPolarHBondContact OD1-CB 3.39Å; N236-V238 WeakPolarHBondContact OD1-CG2 3.49Å; N236-V238 PolarHBondContact OD1-N 3.09Å; V238-K240 VanDerWaalsContact C-N 3.27Å; V238-K240 PolarHBondContact O-N 3.18Å; V238-N241 PolarHBondContact O-N 3.35Å |
| 239 | V | 49.7 | Very low | 50.1 | Low | 87 Ų | 87 | 118.6 Ų | 118.6 | 53% | 0.527 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -70.7 | -23.4 | -178.5 | -164.2 | 0 | 0 | 0 | 0 | 112.3 | N241 V242 I243 | V239-N241 VanDerWaalsContact C-N 3.25Å; V239-N241 PolarHBondContact O-N 2.9Å; V239-V242 PolarHBondContact O-N 3.4Å; V239-I243 PolarHBondContact O-N 2.81Å |
| 240 | K | 48.3 | Very low | 49.8 | Very low | 167 Ų | 167 | 114.9 Ų | 114.9 | 73% | 0.726 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -65.2 | -27.7 | 177.9 | -148.4 | 172 | -173.7 | 178.7 | 0 | 112.7 | V238 N244 | V238-K240 VanDerWaalsContact C-N 3.27Å; V238-K240 PolarHBondContact O-N 3.18Å; K240-N244 PolarHBondContact O-N 3.45Å |
| 241 | N | 50.3 | Low | 49.4 | Very low | 119 Ų | 119 | 113.9 Ų | 113.9 | 64% | 0.636 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -78.8 | -26 | 177 | -95.2 | 10.1 | 0 | 0 | 0 | 114 | V238 V239 K245 | V238-N241 PolarHBondContact O-N 3.35Å; V239-N241 VanDerWaalsContact C-N 3.25Å; V239-N241 PolarHBondContact O-N 2.9Å; N241-K245 PolarHBondContact O-N 2.85Å |
| 242 | V | 50.8 | Low | 48.8 | Very low | 87 Ų | 87 | 108.3 Ų | 108.3 | 53% | 0.527 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -76.7 | -37.3 | 178.9 | -161.1 | 0 | 0 | 0 | 0 | 110.2 | V239 K245 T246 | V239-V242 PolarHBondContact O-N 3.4Å; V242-K245 PolarHBondContact O-N 2.88Å; V242-T246 PolarHBondContact O-N 3.45Å; V242-T246 PolarHBondContact O-OG1 2.98Å |
| 243 | I | 52.2 | Low | 48.6 | Very low | 115 Ų | 115 | 111.6 Ų | 111.6 | 59% | 0.59 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -65.3 | -40.3 | 174.5 | -56.5 | 166.6 | 0 | 0 | 0 | 110.9 | V239 T246 K247 | V239-I243 PolarHBondContact O-N 2.81Å; I243-T246 PolarHBondContact O-N 2.92Å; I243-K247 PolarHBondContact O-N 3.06Å; I243-K247 VanDerWaalsContact O-N 3.15Å |
| 244 | N | 44.8 | Very low | 48.8 | Very low | 95 Ų | 95 | 111.5 Ų | 111.5 | 51% | 0.508 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -65.7 | -35.8 | 172.2 | -94.2 | 1.9 | 0 | 0 | 0 | 113 | K240 H248 | K240-N244 PolarHBondContact O-N 3.45Å; N244-H248 PolarHBondContact O-CD2 2.64Å; N244-H248 PolarHBondContact O-N 2.87Å |
| 245 | K | 51.1 | Low | 49.1 | Very low | 167 Ų | 167 | 109.8 Ų | 109.8 | 73% | 0.726 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -66.9 | -38.4 | 173.8 | -95.7 | -173.7 | 169.6 | -175.3 | 0 | 112.6 | N241 V242 H248 S249 | N241-K245 PolarHBondContact O-N 2.85Å; V242-K245 PolarHBondContact O-N 2.88Å; K245-H248 PolarHBondContact O-N 2.86Å; K245-S249 WeakPolarHBondContact O-CB 3.24Å; K245-S249 PolarHBondContact O-N 3.42Å |
| 246 | T | 49.6 | Very low | 49.2 | Very low | 88 Ų | 88 | 113 Ų | 113 | 54% | 0.54 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -66.7 | -38.7 | 176.6 | -52.8 | 0 | 0 | 0 | 0 | 112 | V242 I243 H248 S249 | V242-T246 PolarHBondContact O-N 3.45Å; V242-T246 PolarHBondContact O-OG1 2.98Å; I243-T246 PolarHBondContact O-N 2.92Å; T246-H248 PolarHBondContact O-N 2.83Å; T246-S249 PolarHBondContact O-N 3.23Å |
| 247 | K | 51.4 | Low | 49.5 | Very low | 145 Ų | 145 | 113.1 Ų | 113.1 | 63% | 0.63 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -60 | -45.8 | 176.5 | -172.1 | 178.7 | 175.1 | -176.1 | 0 | 112.3 | I243 | I243-K247 PolarHBondContact O-N 3.06Å; I243-K247 VanDerWaalsContact O-N 3.15Å |
| 248 | H | 47.6 | Very low | 49.2 | Very low | 123 Ų | 123 | 112.5 Ų | 112.5 | 57% | 0.569 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -75.8 | -21.7 | 177.1 | -72.8 | -60.1 | 0 | 0 | 0 | 114.1 | N244 K245 T246 V250 E251 S252 | N244-H248 PolarHBondContact O-CD2 2.64Å; N244-H248 PolarHBondContact O-N 2.87Å; K245-H248 PolarHBondContact O-N 2.86Å; T246-H248 PolarHBondContact O-N 2.83Å; H248-V250 VanDerWaalsContact C-N 3.31Å; H248-V250 PolarHBondContact O-N 3.44Å; H248-E251 IonicContact ND1-OE2 3.88Å; H248-S252 WeakPolarHBondContact O-CB 3.29Å; H248-S252 PolarHBondContact O-N 3.2Å |
| 249 | S | 44.7 | Very low | 49.5 | Very low | 62 Ų | 62 | 113.5 Ų | 113.5 | 43% | 0.434 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -74.9 | -15 | -177.8 | -169.7 | 0 | 0 | 0 | 0 | 114.4 | K245 T246 | K245-S249 WeakPolarHBondContact O-CB 3.24Å; K245-S249 PolarHBondContact O-N 3.42Å; T246-S249 PolarHBondContact O-N 3.23Å |
| 250 | V | 45.7 | Very low | 49.9 | Very low | 94 Ų | 94 | 111.6 Ų | 111.6 | 57% | 0.57 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -91.6 | -39.8 | 177.6 | -173.8 | 0 | 0 | 0 | 0 | 111.3 | H248 S252 M253 | H248-V250 VanDerWaalsContact C-N 3.31Å; H248-V250 PolarHBondContact O-N 3.44Å; V250-S252 PolarHBondContact O-N 3.29Å; V250-M253 PolarHBondContact O-N 3.32Å |
| 251 | E | 48.5 | Very low | 50.1 | Low | 123 Ų | 123 | 107 Ų | 107 | 58% | 0.575 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -61 | -35.5 | 170.8 | -70.3 | 172.4 | 173.7 | 0 | 0 | 111.6 | H248 M253 | H248-E251 IonicContact ND1-OE2 3.88Å; E251-M253 PolarHBondContact O-N 2.98Å |
| 252 | S | 43.3 | Very low | 50.3 | Low | 93 Ų | 93 | 103.9 Ų | 103.9 | 65% | 0.65 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | -7 | 178.2 | -171.4 | 0 | 0 | 0 | 0 | 115.2 | H248 V250 | H248-S252 WeakPolarHBondContact O-CB 3.29Å; H248-S252 PolarHBondContact O-N 3.2Å; V250-S252 PolarHBondContact O-N 3.29Å |
| 253 | M | 44.6 | Very low | 50.5 | Low | 142 Ų | 142 | 103.5 Ų | 103.5 | 70% | 0.7 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.1 | 7.6 | -171.6 | -145 | 177.4 | -65.4 | 0 | 0 | 114.5 | V250 E251 | V250-M253 PolarHBondContact O-N 3.32Å; E251-M253 PolarHBondContact O-N 2.98Å |
| 254 | I | 51.4 | Low | 50.4 | Low | 139 Ų | 139 | 105.3 Ų | 105.3 | 71% | 0.713 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -104 | -13.2 | 175.9 | -73.6 | 165.1 | 0 | 0 | 0 | 112.2 | ||
| 255 | T | 51.3 | Low | 50.7 | Low | 63 Ų | 63 | 104.7 Ų | 104.7 | 39% | 0.387 | 58% | 0.575 | S | S | . | * | trans | -123.5 | 75.6 | -177.5 | 161.4 | 0 | 0 | 0 | 0 | 111.1 | L257 | T255-L257 PolarHBondContact O-N 3.41Å; T255-L257 PolarHBondContact OG1-O 3.35Å | ||
| 256 | T | 53.7 | Low | 50.6 | Low | 147 Ų | 147 | 103.1 Ų | 103.1 | 90% | 0.902 | 57% | 0.568 | S | S | * | * | trans | -76.8 | 6.4 | 156 | 46.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 257 | L | 52.1 | Low | 50.4 | Low | 103 Ų | 103 | 101.9 Ų | 101.9 | 54% | 0.539 | 56% | 0.564 | S | S | . | * | S | Bend | trans | -81.3 | 138.2 | 165.6 | -74.8 | 161.6 | 0 | 0 | 0 | 109.5 | T255 M261 I265 | T255-L257 PolarHBondContact O-N 3.41Å; T255-L257 PolarHBondContact OG1-O 3.35Å; L257-M261 HydrophobicContact CB-CB 4.29Å; L257-I265 HydrophobicContact CB-CD1 4.41Å; L257-I265 HydrophobicContact CD1-CD1 4.47Å |
| 258 | D | 49.3 | Very low | 50 | Low | 106 Ų | 106 | 97.4 Ų | 97.4 | 57% | 0.567 | 56% | 0.558 | S | S | * | * | trans | -29.9 | 135 | 174.2 | -177.2 | -5.1 | 0 | 0 | 0 | 114.3 | G260 M261 | D258-G260 PolarHBondContact O-N 3.45Å; D258-G260 PolarHBondContact OD1-N 3.03Å; D258-M261 HydrophobicContact CB-CG 4.25Å; D258-M261 WeakPolarHBondContact O-CA 3.38Å; D258-M261 WeakPolarHBondContact O-CB 3.33Å; D258-M261 PolarHBondContact O-N 2.98Å | ||
| 259 | P | 58.6 | Low | 50.3 | Low | 119 Ų | 119 | 92.7 Ų | 92.7 | 77% | 0.773 | 54% | 0.543 | S | S | * | . | G | 310 helix | trans | -47.9 | -27.4 | 167.8 | -29.7 | 36.5 | 0 | 0 | 0 | 115 | M261 A262 | P259-M261 PolarHBondContact O-N 3.16Å; P259-A262 PolarHBondContact O-N 2.97Å |
| 260 | G | 59.1 | Low | 51.4 | Low | 47 Ų | 47 | 97.1 Ų | 97.1 | 49% | 0.485 | 56% | 0.562 | S | S | . | * | G | 310 helix | trans | -65.2 | -17.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | D258 P263 | D258-G260 PolarHBondContact O-N 3.45Å; D258-G260 PolarHBondContact OD1-N 3.03Å; G260-P263 WeakPolarHBondContact O-CD 2.87Å |
| 261 | M | 52.8 | Low | 53.4 | Low | 70 Ų | 70 | 93.6 Ų | 93.6 | 35% | 0.345 | 54% | 0.54 | S | S | . | . | G | 310 helix | trans | -94.4 | -6 | 179.9 | -69.4 | -60 | -65.7 | 0 | 0 | 114.5 | L257 D258 P259 P263 Y264 I265 | L257-M261 HydrophobicContact CB-CB 4.29Å; D258-M261 HydrophobicContact CB-CG 4.25Å; D258-M261 WeakPolarHBondContact O-CA 3.38Å; D258-M261 WeakPolarHBondContact O-CB 3.33Å; D258-M261 PolarHBondContact O-N 2.98Å; P259-M261 PolarHBondContact O-N 3.16Å; M261-P263 VanDerWaalsContact C-N 3.28Å; M261-P263 VanDerWaalsContact O-N 3.17Å; M261-Y264 HydrophobicContact CE-CD2 3.78Å; M261-Y264 HydrophobicContact CE-CG 3.95Å; M261-Y264 PolarHBondContact O-N 3.09Å; M261-Y264 HydrophobicContact SD-CD2 3.73Å; M261-Y264 HydrophobicContact SD-CE2 4.17Å; M261-Y264 HydrophobicContact SD-CG 4.49Å; M261-I265 PolarHBondContact O-N 3.26Å |
| 262 | A | 54.2 | Low | 55.5 | Low | 54 Ų | 54 | 90.9 Ų | 90.9 | 45% | 0.446 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -52.5 | -32 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | P259 | P259-A262 PolarHBondContact O-N 2.97Å |
| 263 | P | 54.5 | Low | 58 | Low | 79 Ų | 79 | 86.4 Ų | 86.4 | 51% | 0.513 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.6 | -41.5 | 172.6 | -22 | 34.5 | 0 | 0 | 0 | 112.6 | G260 M261 K266 S267 | G260-P263 WeakPolarHBondContact O-CD 2.87Å; M261-P263 VanDerWaalsContact C-N 3.28Å; M261-P263 VanDerWaalsContact O-N 3.17Å; P263-K266 PolarHBondContact O-N 3.25Å; P263-S267 PolarHBondContact O-N 3.16Å; P263-S267 PolarHBondContact O-OG 3.33Å; P263-S267 VanDerWaalsContact O-OG 3.08Å |
| 264 | Y | 50.8 | Low | 60.5 | Low | 152 Ų | 152 | 79.8 Ų | 79.8 | 60% | 0.596 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -76.8 | -29.3 | -171.9 | -59.3 | -82.4 | 0 | 0 | 0 | 113.3 | M261 K266 S267 | M261-Y264 HydrophobicContact CE-CD2 3.78Å; M261-Y264 HydrophobicContact CE-CG 3.95Å; M261-Y264 PolarHBondContact O-N 3.09Å; M261-Y264 HydrophobicContact SD-CD2 3.73Å; M261-Y264 HydrophobicContact SD-CE2 4.17Å; M261-Y264 HydrophobicContact SD-CG 4.49Å; Y264-K266 PolarHBondContact O-N 3.22Å; Y264-S267 PolarHBondContact O-N 3.23Å |
| 265 | I | 49.9 | Very low | 62.7 | Low | 82 Ų | 82 | 73.2 Ų | 73.2 | 42% | 0.421 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.1 | -20.6 | 173.2 | -57.4 | 173.6 | 0 | 0 | 0 | 111 | L257 M261 | L257-I265 HydrophobicContact CB-CD1 4.41Å; L257-I265 HydrophobicContact CD1-CD1 4.47Å; M261-I265 PolarHBondContact O-N 3.26Å |
| 266 | K | 50.1 | Low | 65 | Low | 134 Ų | 134 | 70.2 Ų | 70.2 | 58% | 0.583 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | -4.9 | 172 | -62.7 | -174.9 | 177.3 | -173.6 | 0 | 114.3 | P263 Y264 | P263-K266 PolarHBondContact O-N 3.25Å; Y264-K266 PolarHBondContact O-N 3.22Å |
| 267 | S | 45.6 | Very low | 67 | Low | 63 Ų | 63 | 63.6 Ų | 63.6 | 44% | 0.441 | 37% | 0.373 | S | S | . | . | trans | -90.9 | 9.1 | -177 | -61 | 0 | 0 | 0 | 0 | 114.4 | P263 Y264 G269 T298 | P263-S267 PolarHBondContact O-N 3.16Å; P263-S267 PolarHBondContact O-OG 3.33Å; P263-S267 VanDerWaalsContact O-OG 3.08Å; Y264-S267 PolarHBondContact O-N 3.23Å; S267-G269 VanDerWaalsContact C-N 3.32Å; S267-G269 PolarHBondContact O-N 2.85Å; S267-T298 VanDerWaalsContact C-OG1 3.3Å; S267-T298 PolarHBondContact O-OG1 3.28Å | ||
| 268 | G | 41.8 | Very low | 68.9 | Low | 50 Ų | 50 | 63.5 Ų | 63.5 | 52% | 0.515 | 37% | 0.373 | S | S | . | . | trans | -93.8 | 51 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | M296 | G268-M296 VanDerWaalsContact O-CE 3.25Å; G268-M296 WeakPolarHBondContact O-CE 3.47Å | ||
| 269 | G | 53.8 | Low | 71 | Confident | 25 Ų | 25 | 64 Ų | 64 | 26% | 0.258 | 37% | 0.37 | S | S | . | . | trans | -63.8 | 149.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | S267 I271 M296 T298 | S267-G269 VanDerWaalsContact C-N 3.32Å; S267-G269 PolarHBondContact O-N 2.85Å; G269-I271 PolarHBondContact O-N 2.79Å; G269-M296 CarbonylContact C-O 3.52Å; G269-M296 WeakPolarHBondContact CA-O 3.11Å; G269-T298 PolarHBondContact N-OG1 3.07Å | ||
| 270 | D | 69.3 | Low | 72.7 | Confident | 155 Ų | 155 | 65.1 Ų | 65.1 | 83% | 0.829 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -68.2 | -15.3 | 163.4 | -167.1 | 40.3 | 0 | 0 | 0 | 110.9 | M296 | D270-M296 PolarHBondContact N-O 3.26Š|
| 271 | I | 87.4 | Confident | 74.3 | Confident | 19 Ų | 19 | 65.1 Ų | 65.1 | 10% | 0.097 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 139.8 | 177.2 | -155.4 | 157.2 | 0 | 0 | 0 | 111.4 | G269 I273 F294 A297 T298 Y449 L453 | G269-I271 PolarHBondContact O-N 2.79Å; I271-I273 HydrophobicContact CD1-CD1 4.24Å; I271-I273 HydrophobicContact CG1-CD1 4.12Å; I271-I273 HydrophobicContact CG1-CG1 3.99Å; I271-I273 HydrophobicContact CG2-CD1 4.13Å; I271-I273 HydrophobicContact CG2-CG1 4.39Å; I271-F294 HydrophobicContact CB-CD1 4.4Å; I271-F294 HydrophobicContact CD1-CD1 4.26Å; I271-F294 HydrophobicContact CD1-CE1 3.67Å; I271-F294 HydrophobicContact CD1-CZ 3.94Å; I271-F294 HydrophobicContact CG2-CB 4.24Å; I271-F294 HydrophobicContact CG2-CD1 3.91Å; I271-F294 HydrophobicContact CG2-CD2 4.45Å; I271-F294 HydrophobicContact CG2-CE1 4.37Å; I271-F294 HydrophobicContact CG2-CG 3.95Å; I271-A297 HydrophobicContact CG2-CB 3.65Å; I271-T298 PolarHBondContact O-N 2.93Å; I271-Y449 HydrophobicContact CD1-CD1 4.1Å; I271-Y449 HydrophobicContact CD1-CE1 3.32Å; I271-Y449 HydrophobicContact CG1-CE1 4.42Å; I271-L453 HydrophobicContact CD1-CD1 3.59Å |
| 272 | D | 92.1 | Very high | 76.3 | Confident | 66 Ų | 66 | 62.1 Ų | 62.1 | 35% | 0.353 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 127.1 | 174.1 | 178.8 | 52.5 | 0 | 0 | 0 | 109.3 | T298 Q339 | D272-T298 WeakPolarHBondContact CA-O 3.42Å; D272-T298 VanDerWaalsContact OD1-CG2 3.29Å; D272-T298 WeakPolarHBondContact OD1-CG2 3.36Å; D272-Q339 PolarHBondContact OD2-NE2 3.48Å |
| 273 | I | 95.1 | Very high | 78.4 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 128.4 | -169.4 | -54.5 | -179.2 | 0 | 0 | 0 | 109.8 | I271 F290 T298 V299 T300 P340 V342 Y449 | I271-I273 HydrophobicContact CD1-CD1 4.24Å; I271-I273 HydrophobicContact CG1-CD1 4.12Å; I271-I273 HydrophobicContact CG1-CG1 3.99Å; I271-I273 HydrophobicContact CG2-CD1 4.13Å; I271-I273 HydrophobicContact CG2-CG1 4.39Å; I273-F290 HydrophobicContact CD1-CD1 3.18Å; I273-F290 HydrophobicContact CD1-CE1 3.28Å; I273-F290 HydrophobicContact CD1-CG 4.02Å; I273-F290 HydrophobicContact CD1-CZ 4.22Å; I273-T298 PolarHBondContact N-O 2.92Å; I273-V299 VanDerWaalsContact O-CA 3.3Å; I273-V299 WeakPolarHBondContact O-CA 3.12Å; I273-T300 PolarHBondContact O-N 2.78Å; I273-P340 HydrophobicContact CG1-CB 4.33Å; I273-V342 HydrophobicContact CG2-CG2 3.85Å; I273-Y449 HydrophobicContact CD1-CE1 4.23Å |
| 274 | V | 97.6 | Very high | 80.4 | Confident | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.012 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 134.5 | 173.2 | -178.5 | 0 | 0 | 0 | 0 | 110 | E302 L329 I335 Q339 P340 V341 V342 | V274-E302 HydrophobicContact CG1-CB 3.74Å; V274-E302 HydrophobicContact CG1-CG 3.51Å; V274-L329 HydrophobicContact CG1-CD1 4.32Å; V274-I335 HydrophobicContact CB-CG2 4.14Å; V274-I335 HydrophobicContact CG1-CG2 3.8Å; V274-I335 HydrophobicContact CG2-CG2 3.85Å; V274-Q339 VanDerWaalsContact CG2-CD 3.48Å; V274-Q339 HydrophobicContact CG2-CG 4.16Å; V274-P340 PolarHBondContact N-O 2.77Å; V274-V341 HydrophobicContact CB-CG1 4.5Å; V274-V341 CarbonylContact O-C 3.5Å; V274-V341 VanDerWaalsContact O-CA 3.27Å; V274-V341 WeakPolarHBondContact O-CA 3.32Å; V274-V342 PolarHBondContact O-N 3.19Å |
| 275 | V | 98.3 | Very high | 82.7 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.006 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 123.6 | 167.7 | -176.3 | 0 | 0 | 0 | 0 | 108.4 | S277 V283 V286 V299 T300 E302 V342 | V275-S277 PolarHBondContact O-N 3.23Å; V275-V283 HydrophobicContact CB-CG2 4.27Å; V275-V283 HydrophobicContact CG1-CG2 4.2Å; V275-V286 HydrophobicContact CG2-CB 3.96Å; V275-V286 HydrophobicContact CG2-CG1 3.7Å; V275-V286 HydrophobicContact CG2-CG2 4.43Å; V275-V299 HydrophobicContact CG2-CG1 3.53Å; V275-T300 WeakPolarHBondContact CB-O 3.33Å; V275-T300 PolarHBondContact N-O 2.98Å; V275-E302 PolarHBondContact O-N 3.26Å; V275-V342 CarbonylContact C-O 3.54Å; V275-V342 VanDerWaalsContact CA-O 3.26Å; V275-V342 WeakPolarHBondContact CA-O 3.21Å |
| 276 | A | 98 | Very high | 85 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -78.4 | 56.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | E302 R325 L329 V341 V342 A343 | A276-E302 CarbonylContact C-O 3.6Å; A276-R325 HydrophobicContact CB-CB 3.95Å; A276-L329 HydrophobicContact CB-CD1 3.63Å; A276-V341 HydrophobicContact CB-CG1 4.14Å; A276-V342 PolarHBondContact N-O 2.99Å; A276-A343 HydrophobicContact CB-CB 4.07Å |
| 277 | S | 95.9 | Very high | 87.2 | Confident | 9 Ų | 9 | 45.4 Ų | 45.4 | 6% | 0.063 | 25% | 0.253 | C | S | . | . | trans | -157.2 | 142.8 | 176.5 | -169.1 | 0 | 0 | 0 | 0 | 110.7 | V275 K279 V283 G301 E302 | V275-S277 PolarHBondContact O-N 3.23Å; S277-K279 PolarHBondContact OG-N 3.26Å; S277-V283 WeakPolarHBondContact O-CG2 3.42Å; S277-G301 CarbonylContact O-C 3.6Å; S277-G301 WeakPolarHBondContact O-CA 3.4Å; S277-E302 CarbonylContact C-O 3.49Å; S277-E302 PolarHBondContact N-O 2.94Å | ||
| 278 | D | 92.8 | Very high | 89.6 | Confident | 101 Ų | 101 | 45.7 Ų | 45.7 | 54% | 0.54 | 25% | 0.248 | S | C | . | . | trans | -88.3 | -6.5 | 170.1 | 59.3 | -17.4 | 0 | 0 | 0 | 113.6 | D280 P303 | D278-D280 PolarHBondContact O-N 3.16Å; D278-P303 HydrophobicContact CB-CB 3.95Å; D278-P303 HydrophobicContact CB-CG 3.98Å | ||
| 279 | K | 93.3 | Very high | 92.3 | Very high | 116 Ų | 116 | 43.3 Ų | 43.3 | 50% | 0.504 | 22% | 0.223 | S | C | . | . | trans | -79.3 | 110.1 | -175.3 | -63.4 | 172.4 | -174.1 | 167.6 | 0 | 110 | S277 M281 S282 V283 | S277-K279 PolarHBondContact OG-N 3.26Å; K279-M281 PolarHBondContact O-N 2.7Å; K279-S282 PolarHBondContact O-N 2.82Å; K279-V283 PolarHBondContact O-N 3.14Å | ||
| 280 | D | 93.7 | Very high | 94.3 | Very high | 142 Ų | 142 | 42.1 Ų | 42.1 | 76% | 0.759 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -43.8 | -45.4 | 177.1 | -74.2 | -63.6 | 0 | 0 | 0 | 113 | D278 S282 V283 Q284 | D278-D280 PolarHBondContact O-N 3.16Å; D280-S282 VanDerWaalsContact C-N 3.33Å; D280-S282 PolarHBondContact O-N 2.94Å; D280-V283 PolarHBondContact O-N 3.45Å; D280-Q284 WeakPolarHBondContact O-CB 3.5Å; D280-Q284 PolarHBondContact O-N 3.39Å |
| 281 | M | 94.1 | Very high | 95.5 | Very high | 48 Ų | 48 | 36.9 Ų | 36.9 | 24% | 0.236 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -56.1 | -42.4 | 177.8 | 173.5 | 171.5 | 60.5 | 0 | 0 | 113.5 | K279 A285 T423 Q434 H435 | K279-M281 PolarHBondContact O-N 2.7Å; M281-A285 VanDerWaalsContact O-CB 3.23Å; M281-A285 WeakPolarHBondContact O-CB 3.48Å; M281-A285 PolarHBondContact O-N 2.99Å; M281-A285 VanDerWaalsContact O-N 3.16Å; M281-T423 WeakPolarHBondContact CE-O 3.39Å; M281-Q434 HydrophobicContact CE-CB 4.3Å; M281-Q434 HydrophobicContact CE-CG 3.94Å; M281-Q434 HydrophobicContact SD-CB 3.89Å; M281-Q434 HydrophobicContact SD-CG 4.02Å; M281-H435 HydrophobicContact CG-CB 3.92Å; M281-H435 PolarHBondContact O-CD2 3.1Å; M281-H435 VanDerWaalsContact O-CD2 3.27Å; M281-H435 HydrophobicContact SD-CB 4.4Å |
| 282 | S | 94.7 | Very high | 95.9 | Very high | 6 Ų | 6 | 41.8 Ų | 41.8 | 4% | 0.042 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -75.9 | -46 | -179.6 | -57.1 | 0 | 0 | 0 | 0 | 110.8 | K279 D280 Q284 A285 V286 | K279-S282 PolarHBondContact O-N 2.82Å; D280-S282 VanDerWaalsContact C-N 3.33Å; D280-S282 PolarHBondContact O-N 2.94Å; S282-Q284 VanDerWaalsContact C-N 3.33Å; S282-Q284 PolarHBondContact O-N 2.94Å; S282-A285 PolarHBondContact O-N 3.45Å; S282-V286 WeakPolarHBondContact O-CG2 3.48Å; S282-V286 PolarHBondContact O-N 3.08Å |
| 283 | V | 97.3 | Very high | 96 | Very high | 13 Ų | 13 | 40 Ų | 40 | 8% | 0.079 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.6 | -41.6 | 179.9 | -179 | 0 | 0 | 0 | 0 | 110.7 | V275 S277 K279 D280 R287 | V275-V283 HydrophobicContact CB-CG2 4.27Å; V275-V283 HydrophobicContact CG1-CG2 4.2Å; S277-V283 WeakPolarHBondContact O-CG2 3.42Å; K279-V283 PolarHBondContact O-N 3.14Å; D280-V283 PolarHBondContact O-N 3.45Å; V283-R287 VanDerWaalsContact O-CB 3.27Å; V283-R287 WeakPolarHBondContact O-CB 3.27Å; V283-R287 PolarHBondContact O-N 2.99Å |
| 284 | Q | 97.3 | Very high | 95.8 | Very high | 72 Ų | 72 | 41.5 Ų | 41.5 | 34% | 0.336 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -70.4 | -42.4 | 178.6 | -175 | 61.3 | 14.5 | 0 | 0 | 112.2 | D280 S282 V286 R287 E288 | D280-Q284 WeakPolarHBondContact O-CB 3.5Å; D280-Q284 PolarHBondContact O-N 3.39Å; S282-Q284 VanDerWaalsContact C-N 3.33Å; S282-Q284 PolarHBondContact O-N 2.94Å; Q284-V286 VanDerWaalsContact C-N 3.3Å; Q284-V286 PolarHBondContact O-N 3.33Å; Q284-R287 WeakPolarHBondContact O-CB 3.42Å; Q284-R287 PolarHBondContact O-N 2.84Å; Q284-E288 HydrophobicContact CG-CG 4.46Å; Q284-E288 PolarHBondContact NE2-OE1 3.04Å; Q284-E288 WeakPolarHBondContact O-CG 3.33Å; Q284-E288 PolarHBondContact O-N 2.8Å |
| 285 | A | 97.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.3 | -40.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | M281 S282 A289 H435 I438 Q439 | M281-A285 VanDerWaalsContact O-CB 3.23Å; M281-A285 WeakPolarHBondContact O-CB 3.48Å; M281-A285 PolarHBondContact O-N 2.99Å; M281-A285 VanDerWaalsContact O-N 3.16Å; S282-A285 PolarHBondContact O-N 3.45Å; A285-A289 WeakPolarHBondContact O-CB 3.41Å; A285-A289 PolarHBondContact O-N 3.12Å; A285-H435 WeakPolarHBondContact CB-O 3.13Å; A285-H435 PolarHBondContact N-NE2 3.42Å; A285-I438 HydrophobicContact CB-CB 3.92Å; A285-I438 HydrophobicContact CB-CG2 3.68Å; A285-Q439 HydrophobicContact CB-CB 4.12Å |
| 286 | V | 98.2 | Very high | 94.4 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.006 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -69 | -45.8 | 173.4 | 177 | 0 | 0 | 0 | 0 | 111 | V275 S282 Q284 E288 A289 F290 V299 V342 A442 | V275-V286 HydrophobicContact CG2-CB 3.96Å; V275-V286 HydrophobicContact CG2-CG1 3.7Å; V275-V286 HydrophobicContact CG2-CG2 4.43Å; S282-V286 WeakPolarHBondContact O-CG2 3.48Å; S282-V286 PolarHBondContact O-N 3.08Å; Q284-V286 VanDerWaalsContact C-N 3.3Å; Q284-V286 PolarHBondContact O-N 3.33Å; V286-E288 PolarHBondContact O-N 3.27Å; V286-A289 PolarHBondContact O-N 3.18Å; V286-F290 HydrophobicContact CG1-CD2 3.59Å; V286-F290 HydrophobicContact CG1-CE2 3.75Å; V286-F290 WeakPolarHBondContact O-CD2 3.46Å; V286-F290 PolarHBondContact O-N 3.29Å; V286-V299 HydrophobicContact CG1-CG1 4.41Å; V286-V342 HydrophobicContact CG1-CG1 4.36Å; V286-V342 HydrophobicContact CG2-CG1 4.29Å; V286-A442 HydrophobicContact CG2-CB 4.06Å |
| 287 | R | 97.2 | Very high | 94 | Very high | 65 Ų | 65 | 49 Ų | 49 | 25% | 0.245 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -53 | -51.6 | 176.3 | -179.3 | -170.3 | -53.4 | -66.4 | -9.4 | 111.9 | V283 Q284 A289 F290 Q291 V299 | V283-R287 VanDerWaalsContact O-CB 3.27Å; V283-R287 WeakPolarHBondContact O-CB 3.27Å; V283-R287 PolarHBondContact O-N 2.99Å; Q284-R287 WeakPolarHBondContact O-CB 3.42Å; Q284-R287 PolarHBondContact O-N 2.84Å; R287-A289 PolarHBondContact O-N 3.22Å; R287-F290 PolarHBondContact O-N 2.84Å; R287-Q291 HydrophobicContact CG-CG 4.32Å; R287-Q291 VanDerWaalsContact O-CB 3.25Å; R287-Q291 WeakPolarHBondContact O-CB 3.43Å; R287-Q291 VanDerWaalsContact O-CG 3.25Å; R287-Q291 WeakPolarHBondContact O-CG 3.46Å; R287-Q291 PolarHBondContact O-N 3.43Å; R287-V299 HydrophobicContact CB-CB 4.12Å; R287-V299 HydrophobicContact CB-CG1 4.29Å; R287-V299 HydrophobicContact CB-CG2 4.47Å; R287-V299 HydrophobicContact CG-CB 4.29Å; R287-V299 PolarHBondContact NH1-O 3.5Å; R287-V299 PolarHBondContact NH2-O 3.33Å |
| 288 | E | 96.9 | Very high | 93.9 | Very high | 69 Ų | 69 | 49.8 Ų | 49.8 | 32% | 0.322 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.2 | -43.5 | -179 | -71.6 | 179.6 | -166.8 | 0 | 0 | 111.5 | Q284 V286 E292 H435 Q439 | Q284-E288 HydrophobicContact CG-CG 4.46Å; Q284-E288 PolarHBondContact NE2-OE1 3.04Å; Q284-E288 WeakPolarHBondContact O-CG 3.33Å; Q284-E288 PolarHBondContact O-N 2.8Å; V286-E288 PolarHBondContact O-N 3.27Å; E288-E292 WeakPolarHBondContact O-CB 3.45Å; E288-E292 PolarHBondContact O-N 2.89Å; E288-H435 IonicContact OE1-CE1 2.82Å; E288-H435 IonicContact OE2-CE1 3.02Å; E288-H435 PolarHBondContact OE2-CE1 3.13Å; E288-Q439 PolarHBondContact OE2-NE2 3.02Å |
| 289 | A | 97.8 | Very high | 94 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.6 | -46.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | A285 V286 R287 E292 V293 A442 K443 | A285-A289 WeakPolarHBondContact O-CB 3.41Å; A285-A289 PolarHBondContact O-N 3.12Å; V286-A289 PolarHBondContact O-N 3.18Å; R287-A289 PolarHBondContact O-N 3.22Å; A289-E292 PolarHBondContact O-N 2.87Å; A289-V293 WeakPolarHBondContact O-CG2 3.44Å; A289-V293 PolarHBondContact O-N 2.93Å; A289-V293 VanDerWaalsContact O-N 3.16Å; A289-A442 HydrophobicContact CB-CB 3.62Å; A289-K443 HydrophobicContact CB-CB 3.99Å |
| 290 | F | 96.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -72.1 | -38.3 | 180 | -83.7 | -98.4 | 0 | 0 | 0 | 112.1 | I273 V286 R287 E292 V293 F294 A297 V299 V342 L364 A446 Y449 | I273-F290 HydrophobicContact CD1-CD1 3.18Å; I273-F290 HydrophobicContact CD1-CE1 3.28Å; I273-F290 HydrophobicContact CD1-CG 4.02Å; I273-F290 HydrophobicContact CD1-CZ 4.22Å; V286-F290 HydrophobicContact CG1-CD2 3.59Å; V286-F290 HydrophobicContact CG1-CE2 3.75Å; V286-F290 WeakPolarHBondContact O-CD2 3.46Å; V286-F290 PolarHBondContact O-N 3.29Å; R287-F290 PolarHBondContact O-N 2.84Å; F290-E292 VanDerWaalsContact C-N 3.29Å; F290-E292 PolarHBondContact O-N 2.93Å; F290-V293 PolarHBondContact O-N 3.37Å; F290-F294 AromaticContact CD1-CD2 3.92Å; F290-F294 HydrophobicContact CD1-CD2 3.92Å; F290-F294 AromaticContact CD1-CE2 3.7Å; F290-F294 HydrophobicContact CD1-CE2 3.7Å; F290-F294 HydrophobicContact CE1-CE2 4.05Å; F290-F294 WeakPolarHBondContact O-CB 3.42Å; F290-F294 PolarHBondContact O-N 2.99Å; F290-A297 HydrophobicContact CB-CB 4.11Å; F290-V299 HydrophobicContact CB-CG2 4.29Å; F290-V342 HydrophobicContact CE2-CG2 4.25Å; F290-V342 HydrophobicContact CZ-CG2 4.05Å; F290-L364 HydrophobicContact CE1-CD1 4.05Å; F290-L364 HydrophobicContact CZ-CD1 3.78Å; F290-A446 HydrophobicContact CD1-CB 3.67Å; F290-A446 HydrophobicContact CD2-CB 3.83Å; F290-A446 HydrophobicContact CE1-CB 3.64Å; F290-A446 HydrophobicContact CE2-CB 3.79Å; F290-A446 HydrophobicContact CG-CB 3.79Å; F290-A446 HydrophobicContact CZ-CB 3.7Å; F290-Y449 AromaticContact CE1-CD1 3.99Å; F290-Y449 HydrophobicContact CE1-CD1 3.99Å |
| 291 | Q | 94.7 | Very high | 94.3 | Very high | 45 Ų | 45 | 36.7 Ų | 36.7 | 21% | 0.21 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.2 | -31.6 | 173.5 | -71.7 | -177.7 | -7.1 | 0 | 0 | 112.3 | R287 G295 A297 | R287-Q291 HydrophobicContact CG-CG 4.32Å; R287-Q291 VanDerWaalsContact O-CB 3.25Å; R287-Q291 WeakPolarHBondContact O-CB 3.43Å; R287-Q291 VanDerWaalsContact O-CG 3.25Å; R287-Q291 WeakPolarHBondContact O-CG 3.46Å; R287-Q291 PolarHBondContact O-N 3.43Å; Q291-G295 CarbonylContact O-C 3.57Å; Q291-G295 WeakPolarHBondContact O-CA 3.2Å; Q291-G295 PolarHBondContact O-N 3.42Å; Q291-A297 HydrophobicContact CG-CB 4.1Å; Q291-A297 WeakPolarHBondContact CG-O 3.16Å; Q291-A297 PolarHBondContact NE2-O 2.91Å |
| 292 | E | 94.5 | Very high | 94.4 | Very high | 121 Ų | 121 | 37.4 Ų | 37.4 | 57% | 0.565 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -70.3 | -39.1 | 173.3 | -161.4 | -172 | 162.1 | 0 | 0 | 112.6 | E288 A289 F290 K443 | E288-E292 WeakPolarHBondContact O-CB 3.45Å; E288-E292 PolarHBondContact O-N 2.89Å; A289-E292 PolarHBondContact O-N 2.87Å; F290-E292 VanDerWaalsContact C-N 3.29Å; F290-E292 PolarHBondContact O-N 2.93Å; E292-K443 WeakPolarHBondContact OE1-CE 3.35Å; E292-K443 IonicContact OE1-NZ 2.69Å; E292-K443 PolarHBondContact OE1-NZ 2.95Å; E292-K443 VanDerWaalsContact OE2-CE 3.22Å; E292-K443 WeakPolarHBondContact OE2-CE 3.47Å; E292-K443 IonicContact OE2-NZ 2.63Å; E292-K443 PolarHBondContact OE2-NZ 3.36Å |
| 293 | V | 94.4 | Very high | 94.5 | Very high | 30 Ų | 30 | 41.1 Ų | 41.1 | 18% | 0.182 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -82.1 | -38.1 | -175.8 | 171.6 | 0 | 0 | 0 | 0 | 113.3 | A289 F290 K443 A446 K450 | A289-V293 WeakPolarHBondContact O-CG2 3.44Å; A289-V293 PolarHBondContact O-N 2.93Å; A289-V293 VanDerWaalsContact O-N 3.16Å; F290-V293 PolarHBondContact O-N 3.37Å; V293-K443 HydrophobicContact CG2-CG 3.99Å; V293-A446 HydrophobicContact CB-CB 3.92Å; V293-A446 HydrophobicContact CG1-CB 4.08Å; V293-A446 HydrophobicContact CG2-CB 3.96Å; V293-K450 HydrophobicContact CG1-CB 4.25Å; V293-K450 HydrophobicContact CG1-CD 3.86Å; V293-K450 PolarHBondContact O-NZ 3.2Å |
| 294 | F | 90.7 | Very high | 94.3 | Very high | 31 Ų | 31 | 41.4 Ų | 41.4 | 14% | 0.136 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -97.3 | -16.6 | -179.6 | -71.2 | -97.2 | 0 | 0 | 0 | 113 | I271 F290 M296 A297 A446 Y449 K450 L453 | I271-F294 HydrophobicContact CB-CD1 4.4Å; I271-F294 HydrophobicContact CD1-CD1 4.26Å; I271-F294 HydrophobicContact CD1-CE1 3.67Å; I271-F294 HydrophobicContact CD1-CZ 3.94Å; I271-F294 HydrophobicContact CG2-CB 4.24Å; I271-F294 HydrophobicContact CG2-CD1 3.91Å; I271-F294 HydrophobicContact CG2-CD2 4.45Å; I271-F294 HydrophobicContact CG2-CE1 4.37Å; I271-F294 HydrophobicContact CG2-CG 3.95Å; F290-F294 AromaticContact CD1-CD2 3.92Å; F290-F294 HydrophobicContact CD1-CD2 3.92Å; F290-F294 AromaticContact CD1-CE2 3.7Å; F290-F294 HydrophobicContact CD1-CE2 3.7Å; F290-F294 HydrophobicContact CE1-CE2 4.05Å; F290-F294 WeakPolarHBondContact O-CB 3.42Å; F290-F294 PolarHBondContact O-N 2.99Å; F294-M296 PolarHBondContact O-N 3.48Å; F294-A297 HydrophobicContact CB-CB 4.23Å; F294-A446 HydrophobicContact CE2-CB 4.16Å; F294-Y449 HydrophobicContact CE2-CD1 4.37Å; F294-Y449 AromaticContact CZ-CD1 3.86Å; F294-Y449 HydrophobicContact CZ-CD1 3.86Å; F294-Y449 HydrophobicContact CZ-CE1 4.47Å; F294-K450 HydrophobicContact CD1-CD 4.47Å; F294-K450 HydrophobicContact CE1-CB 4.03Å; F294-K450 HydrophobicContact CE1-CD 4.39Å; F294-K450 HydrophobicContact CE1-CG 3.99Å; F294-K450 HydrophobicContact CE2-CB 4.16Å; F294-K450 HydrophobicContact CZ-CB 3.63Å; F294-K450 HydrophobicContact CZ-CG 4.13Å; F294-L453 HydrophobicContact CE1-CD1 3.94Å; F294-L453 HydrophobicContact CZ-CD1 4.17Å |
| 295 | G | 86.1 | Confident | 94 | Very high | 55 Ų | 55 | 46.2 Ų | 46.2 | 57% | 0.567 | 25% | 0.254 | S | S | * | . | S | Bend | trans | 76.7 | -46.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113 | Q291 | Q291-G295 CarbonylContact O-C 3.57Å; Q291-G295 WeakPolarHBondContact O-CA 3.2Å; Q291-G295 PolarHBondContact O-N 3.42Å |
| 296 | M | 81.4 | Confident | 93.9 | Very high | 104 Ų | 104 | 47.3 Ų | 47.3 | 51% | 0.512 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -129.5 | 94.7 | 178 | -60.9 | 178.5 | 62.5 | 0 | 0 | 108.6 | G268 G269 D270 F294 | G268-M296 VanDerWaalsContact O-CE 3.25Å; G268-M296 WeakPolarHBondContact O-CE 3.47Å; G269-M296 CarbonylContact C-O 3.52Å; G269-M296 WeakPolarHBondContact CA-O 3.11Å; D270-M296 PolarHBondContact N-O 3.26Å; F294-M296 PolarHBondContact O-N 3.48Å |
| 297 | A | 89.8 | Confident | 93.7 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 125.8 | 177 | 0 | 0 | 0 | 0 | 0 | 110.6 | I271 F290 Q291 F294 V299 | I271-A297 HydrophobicContact CG2-CB 3.65Å; F290-A297 HydrophobicContact CB-CB 4.11Å; Q291-A297 HydrophobicContact CG-CB 4.1Å; Q291-A297 WeakPolarHBondContact CG-O 3.16Å; Q291-A297 PolarHBondContact NE2-O 2.91Å; F294-A297 HydrophobicContact CB-CB 4.23Å; A297-V299 HydrophobicContact CB-CG2 4.5Å |
| 298 | T | 92.6 | Very high | 93.7 | Very high | 26 Ų | 26 | 49.4 Ų | 49.4 | 16% | 0.16 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 128.5 | 167.8 | -60 | 0 | 0 | 0 | 0 | 107.7 | S267 G269 I271 D272 I273 | S267-T298 VanDerWaalsContact C-OG1 3.3Å; S267-T298 PolarHBondContact O-OG1 3.28Å; G269-T298 PolarHBondContact N-OG1 3.07Å; I271-T298 PolarHBondContact O-N 2.93Å; D272-T298 WeakPolarHBondContact CA-O 3.42Å; D272-T298 VanDerWaalsContact OD1-CG2 3.29Å; D272-T298 WeakPolarHBondContact OD1-CG2 3.36Å; I273-T298 PolarHBondContact N-O 2.92Å |
| 299 | V | 95.3 | Very high | 93.7 | Very high | 3 Ų | 3 | 46.2 Ų | 46.2 | 2% | 0.018 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 127 | 179.4 | -178.1 | 0 | 0 | 0 | 0 | 108.5 | I273 V275 V286 R287 F290 A297 | I273-V299 VanDerWaalsContact O-CA 3.3Å; I273-V299 WeakPolarHBondContact O-CA 3.12Å; V275-V299 HydrophobicContact CG2-CG1 3.53Å; V286-V299 HydrophobicContact CG1-CG1 4.41Å; R287-V299 HydrophobicContact CB-CB 4.12Å; R287-V299 HydrophobicContact CB-CG1 4.29Å; R287-V299 HydrophobicContact CB-CG2 4.47Å; R287-V299 HydrophobicContact CG-CB 4.29Å; R287-V299 PolarHBondContact NH1-O 3.5Å; R287-V299 PolarHBondContact NH2-O 3.33Å; F290-V299 HydrophobicContact CB-CG2 4.29Å; A297-V299 HydrophobicContact CB-CG2 4.5Å |
| 300 | T | 95.3 | Very high | 93.7 | Very high | 51 Ų | 51 | 49.9 Ų | 49.9 | 31% | 0.313 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 154.7 | 177.7 | 51.5 | 0 | 0 | 0 | 0 | 109.6 | I273 V275 | I273-T300 PolarHBondContact O-N 2.78Å; V275-T300 WeakPolarHBondContact CB-O 3.33Å; V275-T300 PolarHBondContact N-O 2.98Å |
| 301 | G | 97 | Very high | 93.7 | Very high | 30 Ų | 30 | 50.4 Ų | 50.4 | 31% | 0.309 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 117.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | S277 | S277-G301 CarbonylContact O-C 3.6Å; S277-G301 WeakPolarHBondContact O-CA 3.4Å |
| 302 | E | 97.4 | Very high | 93.9 | Very high | 64 Ų | 64 | 48.3 Ų | 48.3 | 30% | 0.299 | 28% | 0.279 | S | S | . | . | trans | -111 | 126.6 | 179.4 | -70.5 | -58.2 | 151.5 | 0 | 0 | 110.6 | V274 V275 A276 S277 S304 L329 V334 I335 | V274-E302 HydrophobicContact CG1-CB 3.74Å; V274-E302 HydrophobicContact CG1-CG 3.51Å; V275-E302 PolarHBondContact O-N 3.26Å; A276-E302 CarbonylContact C-O 3.6Å; S277-E302 CarbonylContact C-O 3.49Å; S277-E302 PolarHBondContact N-O 2.94Å; E302-S304 PolarHBondContact O-N 3.17Å; E302-L329 HydrophobicContact CB-CD1 3.8Å; E302-L329 HydrophobicContact CB-CD2 4.03Å; E302-V334 HydrophobicContact CB-CG1 4.24Å; E302-V334 HydrophobicContact CG-CG1 4Å; E302-V334 WeakPolarHBondContact OE2-CG1 3.49Å; E302-I335 HydrophobicContact CG-CG2 4.32Å | ||
| 303 | P | 95.9 | Very high | 94.1 | Very high | 84 Ų | 84 | 44.6 Ų | 44.6 | 55% | 0.545 | 27% | 0.265 | S | S | . | . | trans | -60.2 | 121.7 | -179.8 | -20.4 | 30.1 | 0 | 0 | 0 | 112 | D278 L329 | D278-P303 HydrophobicContact CB-CB 3.95Å; D278-P303 HydrophobicContact CB-CG 3.98Å; P303-L329 WeakPolarHBondContact O-CD2 3Å | ||
| 304 | S | 93.9 | Very high | 94.3 | Very high | 19 Ų | 19 | 44.2 Ų | 44.2 | 13% | 0.133 | 27% | 0.267 | C | S | . | . | trans | -135.3 | 150.3 | 179.1 | -166.4 | 0 | 0 | 0 | 0 | 112.8 | E302 R325 | E302-S304 PolarHBondContact O-N 3.17Å; S304-R325 WeakPolarHBondContact OG-CA 3.38Å; S304-R325 WeakPolarHBondContact OG-CB 3.47Å; S304-R325 PolarHBondContact OG-O 2.92Å | ||
| 305 | Q | 91.5 | Very high | 94.6 | Very high | 173 Ų | 173 | 46.7 Ų | 46.7 | 81% | 0.808 | 28% | 0.276 | S | S | * | . | trans | -126.8 | 141.1 | -178 | -64.9 | -176 | -7.2 | 0 | 0 | 110.2 | ||||
| 306 | S | 94.1 | Very high | 95.1 | Very high | 23 Ų | 23 | 48 Ų | 48 | 16% | 0.161 | 28% | 0.281 | C | S | . | . | trans | -107.8 | 149 | 173.3 | 40.3 | 0 | 0 | 0 | 0 | 109.8 | I308 G321 R325 E345 | S306-I308 PolarHBondContact O-N 3.5Å; S306-I308 VanDerWaalsContact O-N 3.16Å; S306-G321 WeakPolarHBondContact CB-O 3.32Å; S306-R325 PolarHBondContact OG-NH2 3.09Å; S306-E345 PolarHBondContact OG-OE2 3.22Å | ||
| 307 | N | 94.8 | Very high | 95.9 | Very high | 100 Ų | 100 | 43.3 Ų | 43.3 | 54% | 0.535 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -86.5 | 33.9 | 174.3 | -54 | -86.6 | 0 | 0 | 0 | 111.2 | E324 | N307-E324 WeakPolarHBondContact CA-OE2 3.11Å; N307-E324 VanDerWaalsContact CB-OE2 3.24Å; N307-E324 WeakPolarHBondContact CB-OE2 3.26Å; N307-E324 PolarHBondContact N-OE2 2.92Å; N307-E324 PolarHBondContact ND2-OE2 3.45Å |
| 308 | I | 97.1 | Very high | 96.3 | Very high | 9 Ų | 9 | 43.3 Ų | 43.3 | 5% | 0.046 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -104.9 | 152.3 | 179.9 | -59.3 | -56 | 0 | 0 | 0 | 108.5 | S306 P312 A317 K320 W402 | S306-I308 PolarHBondContact O-N 3.5Å; S306-I308 VanDerWaalsContact O-N 3.16Å; I308-P312 HydrophobicContact CG2-CB 3.7Å; I308-P312 HydrophobicContact CG2-CG 3.67Å; I308-A317 HydrophobicContact CG2-CB 4.45Å; I308-K320 HydrophobicContact CD1-CB 4.39Å; I308-K320 HydrophobicContact CD1-CD 4.08Å; I308-K320 HydrophobicContact CD1-CG 4.07Å; I308-W402 HydrophobicContact CD1-CH2 3.37Å; I308-W402 HydrophobicContact CD1-CZ2 4.05Å; I308-W402 HydrophobicContact CD1-CZ3 4.1Å |
| 309 | A | 97.6 | Very high | 96.5 | Very high | 2 Ų | 2 | 43.2 Ų | 43.2 | 2% | 0.017 | 26% | 0.261 | C | S | . | . | trans | -55.8 | 146.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | Q311 P312 Y398 L400 S403 | A309-Q311 CarbonylContact O-C 3.52Å; A309-Q311 PolarHBondContact O-N 2.99Å; A309-P312 VanDerWaalsContact O-CD 3.26Å; A309-P312 WeakPolarHBondContact O-CD 3.3Å; A309-Y398 WeakPolarHBondContact CA-OH 3.4Å; A309-Y398 HydrophobicContact CB-CE1 3.89Å; A309-L400 HydrophobicContact CB-CB 4.05Å; A309-S403 WeakPolarHBondContact CB-OG 3.35Å; A309-S403 PolarHBondContact N-OG 3.39Å | ||
| 310 | P | 96.6 | Very high | 96.7 | Very high | 77 Ų | 77 | 47.4 Ų | 47.4 | 50% | 0.5 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -54 | -26.6 | 178.7 | -28.6 | 35.5 | 0 | 0 | 0 | 114.8 | Y398 T408 | P310-Y398 WeakPolarHBondContact CD-OH 3.41Å; P310-T408 HydrophobicContact CB-CG2 4.04Å; P310-T408 WeakPolarHBondContact O-CG2 3.41Å |
| 311 | Q | 97.9 | Very high | 96.8 | Very high | 11 Ų | 11 | 45 Ų | 45 | 5% | 0.051 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 91.4 | 166 | -175.5 | 64.3 | 80.4 | 0 | 0 | 109.2 | A309 I348 G404 L405 V407 T408 | A309-Q311 CarbonylContact O-C 3.52Å; A309-Q311 PolarHBondContact O-N 2.99Å; Q311-I348 HydrophobicContact CG-CD1 4.02Å; Q311-I348 HydrophobicContact CG-CG1 4.11Å; Q311-G404 CarbonylContact O-C 3.55Å; Q311-G404 WeakPolarHBondContact O-CA 3.46Å; Q311-L405 HydrophobicContact CB-CB 4.14Å; Q311-L405 HydrophobicContact CG-CB 4.47Å; Q311-L405 PolarHBondContact N-O 3.45Å; Q311-L405 VanDerWaalsContact N-O 3.11Å; Q311-L405 PolarHBondContact O-N 3.34Å; Q311-V407 WeakPolarHBondContact CB-O 3.19Å; Q311-T408 HydrophobicContact CB-CG2 4.19Å |
| 312 | P | 98.4 | Very high | 96.8 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.006 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 143.6 | 174.3 | -16.9 | 27.7 | 0 | 0 | 0 | 111 | I308 A309 A317 E345 N346 F347 I348 S403 | I308-P312 HydrophobicContact CG2-CB 3.7Å; I308-P312 HydrophobicContact CG2-CG 3.67Å; A309-P312 VanDerWaalsContact O-CD 3.26Å; A309-P312 WeakPolarHBondContact O-CD 3.3Å; P312-A317 HydrophobicContact CB-CB 3.96Å; P312-E345 HydrophobicContact CG-CG 3.97Å; P312-N346 WeakPolarHBondContact CD-O 3.3Å; P312-N346 VanDerWaalsContact CG-O 3.28Å; P312-N346 WeakPolarHBondContact CG-O 3.48Å; P312-F347 HydrophobicContact CB-CB 3.79Å; P312-F347 WeakPolarHBondContact O-CA 3.27Å; P312-I348 PolarHBondContact O-N 2.98Å; P312-S403 WeakPolarHBondContact CA-O 3.25Å |
| 313 | V | 98.4 | Very high | 96.9 | Very high | 43 Ų | 43 | 42.8 Ų | 42.8 | 26% | 0.261 | 25% | 0.246 | S | C | . | . | B | Isolated β-bridge | trans | -122.8 | 123.9 | 179.3 | 178.5 | 0 | 0 | 0 | 0 | 110.1 | A317 I348 W356 S403 L405 | V313-A317 WeakPolarHBondContact O-CB 3.45Å; V313-I348 CarbonylContact C-O 3.54Å; V313-I348 WeakPolarHBondContact CA-O 3.29Å; V313-I348 HydrophobicContact CG2-CD1 4.05Å; V313-I348 HydrophobicContact CG2-CG1 3.89Å; V313-W356 HydrophobicContact CG1-CH2 4.23Å; V313-W356 HydrophobicContact CG1-CZ3 4.1Å; V313-S403 PolarHBondContact N-O 2.8Å; V313-L405 HydrophobicContact CG2-CD1 4.34Å; V313-L405 HydrophobicContact CG2-CG 3.85Å |
| 314 | G | 97.9 | Very high | 96.9 | Very high | 23 Ų | 23 | 40.1 Ų | 40.1 | 24% | 0.237 | 23% | 0.226 | C | C | . | . | S | Bend | trans | 81.5 | 156.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114 | A316 A317 G318 F347 I348 | G314-A316 VanDerWaalsContact C-N 3.31Å; G314-A316 PolarHBondContact O-N 3.17Å; G314-A317 PolarHBondContact O-N 3.19Å; G314-A317 VanDerWaalsContact O-N 3.12Å; G314-G318 PolarHBondContact O-N 2.77Å; G314-F347 VanDerWaalsContact C-CD2 3.49Å; G314-F347 WeakPolarHBondContact O-CD2 3.27Å; G314-I348 PolarHBondContact N-O 2.86Å |
| 315 | Y | 97.6 | Very high | 97.1 | Very high | 82 Ų | 82 | 40.7 Ų | 40.7 | 32% | 0.322 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -52.5 | -44.8 | -177.1 | -72.1 | -89 | 0 | 0 | 0 | 113.3 | A317 G318 A319 F347 A349 L351 I359 F376 | Y315-A317 VanDerWaalsContact C-N 3.3Å; Y315-A317 PolarHBondContact O-N 3.32Å; Y315-G318 PolarHBondContact O-N 2.85Å; Y315-A319 PolarHBondContact O-N 2.82Å; Y315-F347 HydrophobicContact CD1-CE1 4.47Å; Y315-F347 AromaticContact CD1-CE2 3.76Å; Y315-F347 HydrophobicContact CD1-CE2 3.76Å; Y315-F347 AromaticContact CD1-CZ 3.4Å; Y315-F347 HydrophobicContact CD1-CZ 3.4Å; Y315-F347 HydrophobicContact CD2-CE2 4.15Å; Y315-F347 HydrophobicContact CE1-CE2 4.04Å; Y315-F347 AromaticContact CE1-CZ 3.64Å; Y315-F347 HydrophobicContact CE1-CZ 3.64Å; Y315-F347 HydrophobicContact CE2-CE2 4.4Å; Y315-F347 AromaticContact CG-CE2 3.82Å; Y315-F347 HydrophobicContact CG-CE2 3.82Å; Y315-F347 AromaticContact CG-CZ 3.93Å; Y315-F347 HydrophobicContact CG-CZ 3.93Å; Y315-A349 HydrophobicContact CD2-CB 4.46Å; Y315-A349 HydrophobicContact CE2-CB 4.15Å; Y315-L351 HydrophobicContact CE2-CD2 3.79Å; Y315-L351 VanDerWaalsContact OH-CD2 3.23Å; Y315-L351 WeakPolarHBondContact OH-CD2 3.46Å; Y315-I359 HydrophobicContact CE1-CD1 4.29Å; Y315-F376 HydrophobicContact CD1-CD1 4.36Å; Y315-F376 AromaticContact CD1-CE1 3.75Å; Y315-F376 HydrophobicContact CD1-CE1 3.75Å; Y315-F376 AromaticContact CD1-CZ 3.89Å; Y315-F376 HydrophobicContact CD1-CZ 3.89Å; Y315-F376 HydrophobicContact CE1-CD1 4.3Å; Y315-F376 HydrophobicContact CE1-CE1 4.12Å; Y315-F376 HydrophobicContact CE1-CZ 4.32Å |
| 316 | A | 97.3 | Very high | 97.4 | Very high | 82 Ų | 82 | 32.4 Ų | 32.4 | 68% | 0.678 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -61.9 | -34.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | G314 K320 | G314-A316 VanDerWaalsContact C-N 3.31Å; G314-A316 PolarHBondContact O-N 3.17Å; A316-K320 WeakPolarHBondContact O-CB 3.29Å; A316-K320 PolarHBondContact O-N 2.81Å; A316-K320 VanDerWaalsContact O-N 3.08Å |
| 317 | A | 97.9 | Very high | 97.5 | Very high | 7 Ų | 7 | 34.1 Ų | 34.1 | 6% | 0.058 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -74 | -38.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | I308 P312 V313 G314 Y315 G321 S403 | I308-A317 HydrophobicContact CG2-CB 4.45Å; P312-A317 HydrophobicContact CB-CB 3.96Å; V313-A317 WeakPolarHBondContact O-CB 3.45Å; G314-A317 PolarHBondContact O-N 3.19Å; G314-A317 VanDerWaalsContact O-N 3.12Å; Y315-A317 VanDerWaalsContact C-N 3.3Å; Y315-A317 PolarHBondContact O-N 3.32Å; A317-G321 PolarHBondContact O-N 3.02Å; A317-S403 WeakPolarHBondContact CB-O 3.38Å |
| 318 | G | 97.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.7 | -56.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | G314 Y315 K320 G321 A322 E345 | G314-G318 PolarHBondContact O-N 2.77Å; Y315-G318 PolarHBondContact O-N 2.85Å; G318-K320 VanDerWaalsContact C-N 3.35Å; G318-K320 PolarHBondContact O-N 2.73Å; G318-G321 PolarHBondContact O-N 3.27Å; G318-G321 VanDerWaalsContact O-N 3.14Å; G318-A322 PolarHBondContact O-N 3.02Å; G318-E345 WeakPolarHBondContact O-CB 3.27Å |
| 319 | A | 97.8 | Very high | 97.6 | Very high | 23 Ų | 23 | 30.1 Ų | 30.1 | 19% | 0.19 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.8 | -44.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112 | Y315 G321 A322 Q323 I363 | Y315-A319 PolarHBondContact O-N 2.82Å; A319-G321 PolarHBondContact O-N 2.85Å; A319-A322 PolarHBondContact O-N 2.86Å; A319-Q323 PolarHBondContact O-N 2.76Å; A319-I363 WeakPolarHBondContact O-CD1 3.32Å |
| 320 | K | 97.9 | Very high | 97.5 | Very high | 91 Ų | 91 | 32.6 Ų | 32.6 | 40% | 0.396 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -63.5 | -38.3 | 176 | -174.9 | 174.5 | 169.7 | 176.3 | 0 | 112.6 | I308 A316 G318 Q323 E324 W402 | I308-K320 HydrophobicContact CD1-CB 4.39Å; I308-K320 HydrophobicContact CD1-CD 4.08Å; I308-K320 HydrophobicContact CD1-CG 4.07Å; A316-K320 WeakPolarHBondContact O-CB 3.29Å; A316-K320 PolarHBondContact O-N 2.81Å; A316-K320 VanDerWaalsContact O-N 3.08Å; G318-K320 VanDerWaalsContact C-N 3.35Å; G318-K320 PolarHBondContact O-N 2.73Å; K320-Q323 PolarHBondContact O-N 3.33Å; K320-E324 WeakPolarHBondContact CE-OE1 3.38Å; K320-E324 HydrophobicContact CG-CG 4.29Å; K320-E324 IonicContact NZ-OE1 2.74Å; K320-E324 WeakPolarHBondContact O-CB 3.14Å; K320-E324 WeakPolarHBondContact O-CG 3.34Å; K320-E324 PolarHBondContact O-N 2.71Å; K320-W402 HydrophobicContact CD-CH2 4.01Å; K320-W402 HydrophobicContact CD-CZ3 4.11Å; K320-W402 VanDerWaalsContact NZ-CH2 3.25Å |
| 321 | G | 98 | Very high | 97.5 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.7 | -38.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | S306 A317 G318 A319 R325 E345 | S306-G321 WeakPolarHBondContact CB-O 3.32Å; A317-G321 PolarHBondContact O-N 3.02Å; G318-G321 PolarHBondContact O-N 3.27Å; G318-G321 VanDerWaalsContact O-N 3.14Å; A319-G321 PolarHBondContact O-N 2.85Å; G321-R325 WeakPolarHBondContact O-CG 3.08Å; G321-R325 PolarHBondContact O-N 2.97Å; G321-E345 WeakPolarHBondContact CA-OE2 3.17Å |
| 322 | A | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.5 | -48 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | G318 A319 R325 I326 A343 E345 I363 | G318-A322 PolarHBondContact O-N 3.02Å; A319-A322 PolarHBondContact O-N 2.86Å; A322-R325 WeakPolarHBondContact O-CB 3.4Å; A322-R325 PolarHBondContact O-N 2.92Å; A322-I326 PolarHBondContact O-N 2.81Å; A322-A343 HydrophobicContact CB-CB 4.07Å; A322-A343 WeakPolarHBondContact O-CB 3.25Å; A322-E345 HydrophobicContact CB-CB 3.95Å; A322-I363 HydrophobicContact CB-CB 4.31Å; A322-I363 HydrophobicContact CB-CD1 3.76Å; A322-I363 HydrophobicContact CB-CG1 3.91Å |
| 323 | Q | 97.8 | Very high | 97.1 | Very high | 48 Ų | 48 | 43.5 Ų | 43.5 | 22% | 0.224 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.9 | -45.2 | 178.3 | -171.5 | 62.3 | 47.4 | 0 | 0 | 112.2 | A319 K320 R325 I326 D327 I363 E365 | A319-Q323 PolarHBondContact O-N 2.76Å; K320-Q323 PolarHBondContact O-N 3.33Å; Q323-R325 PolarHBondContact O-N 2.71Å; Q323-R325 VanDerWaalsContact O-N 3.16Å; Q323-I326 PolarHBondContact O-N 2.82Å; Q323-D327 PolarHBondContact NE2-OD1 3.46Å; Q323-D327 PolarHBondContact O-N 2.87Å; Q323-I363 HydrophobicContact CB-CD1 4.39Å; Q323-E365 PolarHBondContact NE2-OE2 3.08Å |
| 324 | E | 97.6 | Very high | 97 | Very high | 28 Ų | 28 | 45 Ų | 45 | 13% | 0.131 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.4 | -27.8 | 178.6 | -80.6 | -168.2 | -164.5 | 0 | 0 | 112.8 | N307 K320 G328 | N307-E324 WeakPolarHBondContact CA-OE2 3.11Å; N307-E324 VanDerWaalsContact CB-OE2 3.24Å; N307-E324 WeakPolarHBondContact CB-OE2 3.26Å; N307-E324 PolarHBondContact N-OE2 2.92Å; N307-E324 PolarHBondContact ND2-OE2 3.45Å; K320-E324 WeakPolarHBondContact CE-OE1 3.38Å; K320-E324 HydrophobicContact CG-CG 4.29Å; K320-E324 IonicContact NZ-OE1 2.74Å; K320-E324 WeakPolarHBondContact O-CB 3.14Å; K320-E324 WeakPolarHBondContact O-CG 3.34Å; K320-E324 PolarHBondContact O-N 2.71Å; E324-G328 WeakPolarHBondContact O-CA 3.22Å; E324-G328 PolarHBondContact O-N 2.93Å |
| 325 | R | 97.8 | Very high | 96.8 | Very high | 31 Ų | 31 | 44.6 Ų | 44.6 | 12% | 0.117 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -69.2 | -38 | 172.9 | -77 | 179.4 | -179.9 | 138.8 | 21.9 | 112.6 | A276 S304 S306 G321 A322 Q323 L329 A343 L344 E345 | A276-R325 HydrophobicContact CB-CB 3.95Å; S304-R325 WeakPolarHBondContact OG-CA 3.38Å; S304-R325 WeakPolarHBondContact OG-CB 3.47Å; S304-R325 PolarHBondContact OG-O 2.92Å; S306-R325 PolarHBondContact OG-NH2 3.09Å; G321-R325 WeakPolarHBondContact O-CG 3.08Å; G321-R325 PolarHBondContact O-N 2.97Å; A322-R325 WeakPolarHBondContact O-CB 3.4Å; A322-R325 PolarHBondContact O-N 2.92Å; Q323-R325 PolarHBondContact O-N 2.71Å; Q323-R325 VanDerWaalsContact O-N 3.16Å; R325-L329 PolarHBondContact O-N 2.95Å; R325-A343 HydrophobicContact CB-CB 4.21Å; R325-L344 PolarHBondContact NH1-O 2.87Å; R325-E345 VanDerWaalsContact CZ-CD 3.43Å; R325-E345 IonicContact CZ-OE1 3.6Å; R325-E345 IonicContact CZ-OE2 3.77Å; R325-E345 IonicContact NE-OE2 3.33Å; R325-E345 IonicContact NH1-OE1 2.81Å; R325-E345 PolarHBondContact NH1-OE1 3.01Å; R325-E345 IonicContact NH1-OE2 2.82Å; R325-E345 PolarHBondContact NH1-OE2 3.38Å; R325-E345 IonicContact NH2-OE1 3.15Å; R325-E345 PolarHBondContact NH2-OE1 3.23Å; R325-E345 IonicContact NH2-OE2 3.14Å; R325-E345 PolarHBondContact NH2-OE2 2.8Å |
| 326 | I | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -68.4 | -51.4 | 174.1 | -57.2 | -177.4 | 0 | 0 | 0 | 109.5 | A322 Q323 G328 L329 R330 V341 A343 I363 E365 | A322-I326 PolarHBondContact O-N 2.81Å; Q323-I326 PolarHBondContact O-N 2.82Å; I326-G328 PolarHBondContact O-N 3.29Å; I326-L329 PolarHBondContact O-N 2.84Å; I326-R330 PolarHBondContact O-N 3.42Å; I326-R330 VanDerWaalsContact O-N 3.09Å; I326-V341 HydrophobicContact CB-CG1 4.47Å; I326-V341 HydrophobicContact CD1-CB 4.36Å; I326-V341 HydrophobicContact CD1-CG1 4.47Å; I326-V341 HydrophobicContact CG1-CB 4.29Å; I326-V341 HydrophobicContact CG1-CG1 3.97Å; I326-V341 HydrophobicContact CG2-CB 3.98Å; I326-V341 HydrophobicContact CG2-CG1 4.18Å; I326-V341 HydrophobicContact CG2-CG2 4.09Å; I326-A343 HydrophobicContact CD1-CB 3.98Å; I326-A343 HydrophobicContact CG1-CB 3.61Å; I326-I363 HydrophobicContact CD1-CB 4.42Å; I326-I363 HydrophobicContact CD1-CG2 3.99Å; I326-E365 HydrophobicContact CD1-CB 3.94Å |
| 327 | D | 96.5 | Very high | 96.3 | Very high | 59 Ų | 59 | 49.7 Ų | 49.7 | 32% | 0.316 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.3 | -32.9 | 179.2 | -64.9 | -8.8 | 0 | 0 | 0 | 112.3 | Q323 R331 | Q323-D327 PolarHBondContact NE2-OD1 3.46Å; Q323-D327 PolarHBondContact O-N 2.87Å; D327-R331 VanDerWaalsContact O-CB 3.27Å; D327-R331 WeakPolarHBondContact O-CB 3.45Å; D327-R331 WeakPolarHBondContact O-CG 3.26Å; D327-R331 PolarHBondContact O-N 3.17Å; D327-R331 PolarHBondContact O-NE 2.78Å |
| 328 | G | 96.3 | Very high | 95.9 | Very high | 20 Ų | 20 | 55.7 Ų | 55.7 | 21% | 0.206 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.5 | -51.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | E324 I326 R330 R331 A332 | E324-G328 WeakPolarHBondContact O-CA 3.22Å; E324-G328 PolarHBondContact O-N 2.93Å; I326-G328 PolarHBondContact O-N 3.29Å; G328-R330 PolarHBondContact O-N 3.15Å; G328-R331 PolarHBondContact O-N 3.05Å; G328-A332 VanDerWaalsContact O-CB 3.29Å; G328-A332 WeakPolarHBondContact O-CB 3.5Å; G328-A332 PolarHBondContact O-N 3.22Å |
| 329 | L | 96.6 | Very high | 95.7 | Very high | 4 Ų | 4 | 57.5 Ų | 57.5 | 2% | 0.021 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.8 | -41.3 | 179.5 | -68.4 | -179.2 | 0 | 0 | 0 | 112.4 | V274 A276 E302 P303 R325 I326 A332 G333 V334 I335 | V274-L329 HydrophobicContact CG1-CD1 4.32Å; A276-L329 HydrophobicContact CB-CD1 3.63Å; E302-L329 HydrophobicContact CB-CD1 3.8Å; E302-L329 HydrophobicContact CB-CD2 4.03Å; P303-L329 WeakPolarHBondContact O-CD2 3Å; R325-L329 PolarHBondContact O-N 2.95Å; I326-L329 PolarHBondContact O-N 2.84Å; L329-A332 PolarHBondContact O-N 3.22Å; L329-G333 PolarHBondContact O-N 3.31Å; L329-G333 VanDerWaalsContact O-N 3.16Å; L329-V334 HydrophobicContact CD2-CB 4.14Å; L329-V334 HydrophobicContact CD2-CG1 4.13Å; L329-V334 HydrophobicContact CD2-CG2 4.38Å; L329-V334 PolarHBondContact O-N 3.47Å; L329-V334 VanDerWaalsContact O-N 3.13Å; L329-I335 HydrophobicContact CB-CD1 3.63Å; L329-I335 HydrophobicContact CB-CG1 3.78Å; L329-I335 HydrophobicContact CB-CG2 4.3Å; L329-I335 HydrophobicContact CD1-CD1 4.43Å; L329-I335 HydrophobicContact CD1-CG2 4.28Å |
| 330 | R | 95.9 | Very high | 95.6 | Very high | 55 Ų | 55 | 57.2 Ų | 57.2 | 21% | 0.208 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.9 | -47 | 176.9 | -65.6 | -163.9 | -169.7 | 133.9 | 4.9 | 112.1 | I326 G328 A332 G333 I335 E365 P367 | I326-R330 PolarHBondContact O-N 3.42Å; I326-R330 VanDerWaalsContact O-N 3.09Å; G328-R330 PolarHBondContact O-N 3.15Å; R330-A332 PolarHBondContact O-N 3.36Å; R330-G333 PolarHBondContact O-N 3.28Å; R330-I335 HydrophobicContact CG-CD1 3.58Å; R330-I335 HydrophobicContact CG-CG1 3.9Å; R330-E365 IonicContact CZ-OE1 3.49Å; R330-E365 IonicContact CZ-OE2 3.59Å; R330-E365 IonicContact NH1-OE1 2.71Å; R330-E365 PolarHBondContact NH1-OE1 3.42Å; R330-E365 IonicContact NH1-OE2 3.06Å; R330-E365 PolarHBondContact NH1-OE2 2.86Å; R330-E365 VanDerWaalsContact NH2-CD 3.28Å; R330-E365 IonicContact NH2-OE1 3.38Å; R330-E365 PolarHBondContact NH2-OE1 2.93Å; R330-E365 IonicContact NH2-OE2 3.34Å; R330-E365 PolarHBondContact NH2-OE2 2.93Å; R330-P367 VanDerWaalsContact CZ-CG 3.43Å; R330-P367 VanDerWaalsContact NH2-CD 3.33Å; R330-P367 VanDerWaalsContact NH2-CG 3.25Å |
| 331 | R | 95.6 | Very high | 95.6 | Very high | 185 Ų | 185 | 52.9 Ų | 52.9 | 70% | 0.698 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -64.2 | -29.2 | 177.4 | -73.7 | -179.7 | -63 | 160.2 | -1.4 | 113 | D327 G328 G333 | D327-R331 VanDerWaalsContact O-CB 3.27Å; D327-R331 WeakPolarHBondContact O-CB 3.45Å; D327-R331 WeakPolarHBondContact O-CG 3.26Å; D327-R331 PolarHBondContact O-N 3.17Å; D327-R331 PolarHBondContact O-NE 2.78Å; G328-R331 PolarHBondContact O-N 3.05Å; R331-G333 VanDerWaalsContact C-N 3.31Å |
| 332 | A | 95.4 | Very high | 95.6 | Very high | 72 Ų | 72 | 52.9 Ų | 52.9 | 60% | 0.595 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -11.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | G328 L329 R330 V334 | G328-A332 VanDerWaalsContact O-CB 3.29Å; G328-A332 WeakPolarHBondContact O-CB 3.5Å; G328-A332 PolarHBondContact O-N 3.22Å; L329-A332 PolarHBondContact O-N 3.22Å; R330-A332 PolarHBondContact O-N 3.36Å; A332-V334 VanDerWaalsContact C-N 3.25Å; A332-V334 HydrophobicContact CB-CG2 3.89Å; A332-V334 PolarHBondContact O-N 3.49Å |
| 333 | G | 93.8 | Very high | 95.7 | Very high | 61 Ų | 61 | 52.9 Ų | 52.9 | 63% | 0.629 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.9 | 20.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | L329 R330 R331 I335 | L329-G333 PolarHBondContact O-N 3.31Å; L329-G333 VanDerWaalsContact O-N 3.16Å; R330-G333 PolarHBondContact O-N 3.28Å; R331-G333 VanDerWaalsContact C-N 3.31Å; G333-I335 VanDerWaalsContact C-N 3.34Å |
| 334 | V | 95 | Very high | 95.6 | Very high | 75 Ų | 75 | 51.1 Ų | 51.1 | 46% | 0.455 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -71.5 | -34 | 178.4 | 176.4 | 0 | 0 | 0 | 0 | 111 | E302 L329 A332 | E302-V334 HydrophobicContact CB-CG1 4.24Å; E302-V334 HydrophobicContact CG-CG1 4Å; E302-V334 WeakPolarHBondContact OE2-CG1 3.49Å; L329-V334 HydrophobicContact CD2-CB 4.14Å; L329-V334 HydrophobicContact CD2-CG1 4.13Å; L329-V334 HydrophobicContact CD2-CG2 4.38Å; L329-V334 PolarHBondContact O-N 3.47Å; L329-V334 VanDerWaalsContact O-N 3.13Å; A332-V334 VanDerWaalsContact C-N 3.25Å; A332-V334 HydrophobicContact CB-CG2 3.89Å; A332-V334 PolarHBondContact O-N 3.49Å |
| 335 | I | 94.8 | Very high | 95.7 | Very high | 14 Ų | 14 | 50.5 Ų | 50.5 | 7% | 0.072 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -120.2 | 157.3 | -177.7 | 59.5 | 171.2 | 0 | 0 | 0 | 110.8 | V274 E302 L329 R330 G333 V341 | V274-I335 HydrophobicContact CB-CG2 4.14Å; V274-I335 HydrophobicContact CG1-CG2 3.8Å; V274-I335 HydrophobicContact CG2-CG2 3.85Å; E302-I335 HydrophobicContact CG-CG2 4.32Å; L329-I335 HydrophobicContact CB-CD1 3.63Å; L329-I335 HydrophobicContact CB-CG1 3.78Å; L329-I335 HydrophobicContact CB-CG2 4.3Å; L329-I335 HydrophobicContact CD1-CD1 4.43Å; L329-I335 HydrophobicContact CD1-CG2 4.28Å; R330-I335 HydrophobicContact CG-CD1 3.58Å; R330-I335 HydrophobicContact CG-CG1 3.9Å; G333-I335 VanDerWaalsContact C-N 3.34Å; I335-V341 HydrophobicContact CD1-CG1 4.35Å; I335-V341 HydrophobicContact CD1-CG2 3.39Å |
| 336 | H | 92.4 | Very high | 95.6 | Very high | 117 Ų | 117 | 50.8 Ų | 50.8 | 54% | 0.542 | 27% | 0.269 | S | S | . | . | trans | -76.3 | 145.1 | 178 | -178.4 | 67.5 | 0 | 0 | 0 | 111.8 | K338 Q339 | H336-K338 PolarHBondContact CD2-N 2.91Å; H336-K338 PolarHBondContact O-N 3.16Å; H336-K338 VanDerWaalsContact O-N 3.08Å; H336-Q339 HydrophobicContact CB-CB 4.17Å; H336-Q339 WeakPolarHBondContact O-CB 3.16Å; H336-Q339 PolarHBondContact O-N 3.36Å | ||
| 337 | E | 90.9 | Very high | 95.7 | Very high | 153 Ų | 153 | 50.8 Ų | 50.8 | 72% | 0.715 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -29.2 | -173.7 | -63.2 | -177.3 | 160.4 | 0 | 0 | 114.2 | P367 | E337-P367 WeakPolarHBondContact O-CG 3.39Š|
| 338 | K | 90.3 | Very high | 95.8 | Very high | 134 Ų | 134 | 48 Ų | 48 | 58% | 0.583 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.6 | 7.4 | 179.5 | -60.3 | -173.5 | 176.6 | -169.8 | 0 | 114.2 | H336 | H336-K338 PolarHBondContact CD2-N 2.91Å; H336-K338 PolarHBondContact O-N 3.16Å; H336-K338 VanDerWaalsContact O-N 3.08Å |
| 339 | Q | 93.1 | Very high | 95.8 | Very high | 38 Ų | 38 | 47.2 Ų | 47.2 | 18% | 0.178 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -76.2 | 136.8 | -179.3 | -162 | 168.2 | 16.5 | 0 | 0 | 109.9 | D272 V274 H336 V341 | D272-Q339 PolarHBondContact OD2-NE2 3.48Å; V274-Q339 VanDerWaalsContact CG2-CD 3.48Å; V274-Q339 HydrophobicContact CG2-CG 4.16Å; H336-Q339 HydrophobicContact CB-CB 4.17Å; H336-Q339 WeakPolarHBondContact O-CB 3.16Å; H336-Q339 PolarHBondContact O-N 3.36Å; Q339-V341 WeakPolarHBondContact O-CG2 3.44Å; Q339-V341 PolarHBondContact O-N 3.28Å |
| 340 | P | 96.4 | Very high | 95.9 | Very high | 16 Ų | 16 | 51.6 Ų | 51.6 | 10% | 0.104 | 27% | 0.266 | C | S | . | . | trans | -63.4 | 130.1 | 170.9 | -21.2 | 33.3 | 0 | 0 | 0 | 111 | I273 V274 D366 Y449 | I273-P340 HydrophobicContact CG1-CB 4.33Å; V274-P340 PolarHBondContact N-O 2.77Å; P340-D366 HydrophobicContact CB-CB 4.13Å; P340-D366 HydrophobicContact CG-CB 4.23Å; P340-Y449 HydrophobicContact CB-CE1 4.46Å; P340-Y449 WeakPolarHBondContact CB-OH 3.22Å; P340-Y449 WeakPolarHBondContact CG-OH 3.45Å | ||
| 341 | V | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 136.4 | 179.9 | -164 | 0 | 0 | 0 | 0 | 110.1 | V274 A276 I326 I335 Q339 L364 E365 | V274-V341 HydrophobicContact CB-CG1 4.5Å; V274-V341 CarbonylContact O-C 3.5Å; V274-V341 VanDerWaalsContact O-CA 3.27Å; V274-V341 WeakPolarHBondContact O-CA 3.32Å; A276-V341 HydrophobicContact CB-CG1 4.14Å; I326-V341 HydrophobicContact CB-CG1 4.47Å; I326-V341 HydrophobicContact CD1-CB 4.36Å; I326-V341 HydrophobicContact CD1-CG1 4.47Å; I326-V341 HydrophobicContact CG1-CB 4.29Å; I326-V341 HydrophobicContact CG1-CG1 3.97Å; I326-V341 HydrophobicContact CG2-CB 3.98Å; I326-V341 HydrophobicContact CG2-CG1 4.18Å; I326-V341 HydrophobicContact CG2-CG2 4.09Å; I335-V341 HydrophobicContact CD1-CG1 4.35Å; I335-V341 HydrophobicContact CD1-CG2 3.39Å; Q339-V341 WeakPolarHBondContact O-CG2 3.44Å; Q339-V341 PolarHBondContact O-N 3.28Å; V341-L364 CarbonylContact O-C 3.43Å; V341-L364 VanDerWaalsContact O-CA 3.27Å; V341-L364 WeakPolarHBondContact O-CA 3.4Å; V341-E365 PolarHBondContact N-O 3.15Å; V341-E365 PolarHBondContact O-N 2.91Å |
| 342 | V | 98.6 | Very high | 95.8 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.006 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 122.9 | 168.7 | 177.4 | 0 | 0 | 0 | 0 | 109.6 | I273 V274 V275 A276 V286 F290 I363 L364 L445 | I273-V342 HydrophobicContact CG2-CG2 3.85Å; V274-V342 PolarHBondContact O-N 3.19Å; V275-V342 CarbonylContact C-O 3.54Å; V275-V342 VanDerWaalsContact CA-O 3.26Å; V275-V342 WeakPolarHBondContact CA-O 3.21Å; A276-V342 PolarHBondContact N-O 2.99Å; V286-V342 HydrophobicContact CG1-CG1 4.36Å; V286-V342 HydrophobicContact CG2-CG1 4.29Å; F290-V342 HydrophobicContact CE2-CG2 4.25Å; F290-V342 HydrophobicContact CZ-CG2 4.05Å; V342-I363 CarbonylContact C-O 3.59Å; V342-I363 VanDerWaalsContact CA-O 3.3Å; V342-I363 WeakPolarHBondContact CA-O 3.43Å; V342-L364 HydrophobicContact CG2-CB 4.12Å; V342-L364 HydrophobicContact CG2-CD1 3.83Å; V342-L364 HydrophobicContact CG2-CG 4.09Å; V342-L445 HydrophobicContact CG1-CD2 3.97Å; V342-L445 HydrophobicContact CG2-CD2 4.28Å |
| 343 | A | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 150.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | A276 A322 R325 I326 L362 I363 | A276-A343 HydrophobicContact CB-CB 4.07Å; A322-A343 HydrophobicContact CB-CB 4.07Å; A322-A343 WeakPolarHBondContact O-CB 3.25Å; R325-A343 HydrophobicContact CB-CB 4.21Å; I326-A343 HydrophobicContact CD1-CB 3.98Å; I326-A343 HydrophobicContact CG1-CB 3.61Å; A343-L362 CarbonylContact O-C 3.59Å; A343-L362 VanDerWaalsContact O-CA 3.29Å; A343-L362 WeakPolarHBondContact O-CA 3.36Å; A343-I363 PolarHBondContact N-O 3.43Å; A343-I363 PolarHBondContact O-N 3.39Å |
| 344 | L | 97.7 | Very high | 95.9 | Very high | 11 Ų | 11 | 53.9 Ų | 53.9 | 6% | 0.058 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 133.1 | 172.2 | 168.4 | 69.2 | 0 | 0 | 0 | 108.2 | R325 C361 L362 I438 | R325-L344 PolarHBondContact NH1-O 2.87Å; L344-C361 CarbonylContact C-O 3.49Å; L344-C361 WeakPolarHBondContact CA-O 3.28Å; L344-L362 HydrophobicContact CD1-CD1 3.56Å; L344-L362 HydrophobicContact CD1-CG 3.81Å; L344-I438 HydrophobicContact CD2-CD1 3.49Å; L344-I438 VanDerWaalsContact CD2-CD1 3.49Å; L344-I438 HydrophobicContact CD2-CG1 3.75Å; L344-I438 HydrophobicContact CD2-CG2 4.03Å |
| 345 | E | 97.8 | Very high | 95.9 | Very high | 15 Ų | 15 | 56.3 Ų | 56.3 | 7% | 0.07 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 127.6 | 168.8 | -173.3 | 73.1 | -77.1 | 0 | 0 | 110.2 | S306 P312 G318 G321 A322 R325 C361 | S306-E345 PolarHBondContact OG-OE2 3.22Å; P312-E345 HydrophobicContact CG-CG 3.97Å; G318-E345 WeakPolarHBondContact O-CB 3.27Å; G321-E345 WeakPolarHBondContact CA-OE2 3.17Å; A322-E345 HydrophobicContact CB-CB 3.95Å; R325-E345 VanDerWaalsContact CZ-CD 3.43Å; R325-E345 IonicContact CZ-OE1 3.6Å; R325-E345 IonicContact CZ-OE2 3.77Å; R325-E345 IonicContact NE-OE2 3.33Å; R325-E345 IonicContact NH1-OE1 2.81Å; R325-E345 PolarHBondContact NH1-OE1 3.01Å; R325-E345 IonicContact NH1-OE2 2.82Å; R325-E345 PolarHBondContact NH1-OE2 3.38Å; R325-E345 IonicContact NH2-OE1 3.15Å; R325-E345 PolarHBondContact NH2-OE1 3.23Å; R325-E345 IonicContact NH2-OE2 3.14Å; R325-E345 PolarHBondContact NH2-OE2 2.8Å; E345-C361 PolarHBondContact N-O 3.49Å; E345-C361 PolarHBondContact O-N 2.77Å |
| 346 | N | 97.1 | Very high | 96.1 | Very high | 36 Ų | 36 | 57 Ų | 57 | 19% | 0.193 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 133.6 | 177.7 | -62.1 | -22.8 | 0 | 0 | 0 | 109.7 | P312 I359 G360 Q434 | P312-N346 WeakPolarHBondContact CD-O 3.3Å; P312-N346 VanDerWaalsContact CG-O 3.28Å; P312-N346 WeakPolarHBondContact CG-O 3.48Å; N346-I359 CarbonylContact C-O 3.58Å; N346-I359 WeakPolarHBondContact CA-O 3.34Å; N346-G360 WeakPolarHBondContact OD1-CA 3.43Å; N346-Q434 PolarHBondContact ND2-NE2 3.3Å |
| 347 | F | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 159.4 | 179.4 | 67.6 | -83 | 0 | 0 | 0 | 110.6 | P312 G314 Y315 A349 I359 C361 F376 | P312-F347 HydrophobicContact CB-CB 3.79Å; P312-F347 WeakPolarHBondContact O-CA 3.27Å; G314-F347 VanDerWaalsContact C-CD2 3.49Å; G314-F347 WeakPolarHBondContact O-CD2 3.27Å; Y315-F347 HydrophobicContact CD1-CE1 4.47Å; Y315-F347 AromaticContact CD1-CE2 3.76Å; Y315-F347 HydrophobicContact CD1-CE2 3.76Å; Y315-F347 AromaticContact CD1-CZ 3.4Å; Y315-F347 HydrophobicContact CD1-CZ 3.4Å; Y315-F347 HydrophobicContact CD2-CE2 4.15Å; Y315-F347 HydrophobicContact CE1-CE2 4.04Å; Y315-F347 AromaticContact CE1-CZ 3.64Å; Y315-F347 HydrophobicContact CE1-CZ 3.64Å; Y315-F347 HydrophobicContact CE2-CE2 4.4Å; Y315-F347 AromaticContact CG-CE2 3.82Å; Y315-F347 HydrophobicContact CG-CE2 3.82Å; Y315-F347 AromaticContact CG-CZ 3.93Å; Y315-F347 HydrophobicContact CG-CZ 3.93Å; F347-A349 HydrophobicContact CD2-CB 4.16Å; F347-A349 HydrophobicContact CE2-CB 3.91Å; F347-I359 HydrophobicContact CD1-CB 4.4Å; F347-I359 WeakPolarHBondContact CD1-O 3.11Å; F347-I359 HydrophobicContact CE1-CB 3.81Å; F347-I359 HydrophobicContact CE1-CG2 3.84Å; F347-I359 WeakPolarHBondContact CE1-O 3.36Å; F347-I359 HydrophobicContact CE2-CB 4.09Å; F347-I359 HydrophobicContact CE2-CD1 4.09Å; F347-I359 HydrophobicContact CZ-CB 3.63Å; F347-I359 HydrophobicContact CZ-CD1 4.08Å; F347-I359 HydrophobicContact CZ-CG1 4.39Å; F347-I359 HydrophobicContact CZ-CG2 3.73Å; F347-I359 PolarHBondContact N-O 3.16Å; F347-I359 PolarHBondContact O-N 3.11Å; F347-C361 HydrophobicContact CD1-CB 4.33Å; F347-C361 HydrophobicContact CE1-CB 3.99Å; F347-F376 AromaticContact CE1-CD1 3.99Å; F347-F376 HydrophobicContact CE1-CD1 3.99Å; F347-F376 AromaticContact CE1-CE1 3.97Å; F347-F376 HydrophobicContact CE1-CE1 3.97Å; F347-F376 HydrophobicContact CZ-CD1 4.09Å; F347-F376 HydrophobicContact CZ-CE1 4.03Å |
| 348 | I | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 141.2 | 170.2 | 54.4 | 166.5 | 0 | 0 | 0 | 111.1 | Q311 P312 V313 G314 W356 F357 D358 L382 I387 L405 V409 | Q311-I348 HydrophobicContact CG-CD1 4.02Å; Q311-I348 HydrophobicContact CG-CG1 4.11Å; P312-I348 PolarHBondContact O-N 2.98Å; V313-I348 CarbonylContact C-O 3.54Å; V313-I348 WeakPolarHBondContact CA-O 3.29Å; V313-I348 HydrophobicContact CG2-CD1 4.05Å; V313-I348 HydrophobicContact CG2-CG1 3.89Å; G314-I348 PolarHBondContact N-O 2.86Å; I348-W356 HydrophobicContact CB-CE3 4.27Å; I348-W356 HydrophobicContact CD1-CE3 4.24Å; I348-W356 HydrophobicContact CD1-CZ3 4.18Å; I348-W356 HydrophobicContact CG1-CE3 4.42Å; I348-W356 HydrophobicContact CG1-CZ3 4.29Å; I348-F357 CarbonylContact C-O 3.54Å; I348-F357 VanDerWaalsContact CA-O 3.23Å; I348-F357 WeakPolarHBondContact CA-O 3.36Å; I348-D358 HydrophobicContact CG2-CB 4.46Å; I348-L382 HydrophobicContact CB-CD1 4.39Å; I348-L382 HydrophobicContact CG2-CD1 3.45Å; I348-L382 VanDerWaalsContact CG2-CD1 3.45Å; I348-I387 HydrophobicContact CD1-CD1 3.86Å; I348-I387 HydrophobicContact CD1-CG2 4.46Å; I348-L405 HydrophobicContact CD1-CD1 4.28Å; I348-V409 HydrophobicContact CD1-CG2 4.28Å; I348-V409 HydrophobicContact CG2-CG2 4.11Å |
| 349 | A | 98.3 | Very high | 97.1 | Very high | 5 Ų | 5 | 39.8 Ų | 39.8 | 4% | 0.041 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 143.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y315 F347 L351 W356 F357 I359 | Y315-A349 HydrophobicContact CD2-CB 4.46Å; Y315-A349 HydrophobicContact CE2-CB 4.15Å; F347-A349 HydrophobicContact CD2-CB 4.16Å; F347-A349 HydrophobicContact CE2-CB 3.91Å; A349-L351 HydrophobicContact CB-CD2 4.03Å; A349-W356 CarbonylContact O-C 3.56Å; A349-W356 WeakPolarHBondContact O-CA 3.39Å; A349-F357 PolarHBondContact N-O 3.08Å; A349-F357 PolarHBondContact O-N 3.07Å; A349-I359 HydrophobicContact CB-CD1 4.47Å |
| 350 | E | 97.3 | Very high | 97.3 | Very high | 95 Ų | 95 | 38 Ų | 38 | 44% | 0.444 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 113.3 | 166.2 | -169.4 | 171.3 | 179.2 | 0 | 0 | 108.6 | F352 P353 E354 K355 W356 | E350-F352 WeakPolarHBondContact CG-O 3.23Å; E350-P353 WeakPolarHBondContact OE1-CA 3.49Å; E350-E354 PolarHBondContact OE1-N 3.05Å; E350-K355 WeakPolarHBondContact CA-O 3.29Å; E350-W356 HydrophobicContact CB-CD2 3.95Å; E350-W356 HydrophobicContact CB-CE3 4.3Å; E350-W356 HydrophobicContact CB-CG 4.49Å; E350-W356 HydrophobicContact CB-CH2 4.16Å; E350-W356 HydrophobicContact CB-CZ2 3.79Å; E350-W356 HydrophobicContact CB-CZ3 4.39Å; E350-W356 HydrophobicContact CG-CZ2 4.46Å; E350-W356 WeakPolarHBondContact OE2-CZ2 3.36Å |
| 351 | L | 95.5 | Very high | 97.4 | Very high | 46 Ų | 46 | 37.2 Ų | 37.2 | 24% | 0.241 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | -21.5 | -179.3 | -56.2 | -174.3 | 0 | 0 | 0 | 112.7 | Y315 A349 K355 F357 I359 A379 | Y315-L351 HydrophobicContact CE2-CD2 3.79Å; Y315-L351 VanDerWaalsContact OH-CD2 3.23Å; Y315-L351 WeakPolarHBondContact OH-CD2 3.46Å; A349-L351 HydrophobicContact CB-CD2 4.03Å; L351-K355 PolarHBondContact N-O 3.14Å; L351-F357 HydrophobicContact CB-CD2 3.79Å; L351-F357 HydrophobicContact CB-CE2 3.8Å; L351-F357 HydrophobicContact CD1-CB 4.21Å; L351-F357 HydrophobicContact CD1-CD1 4.46Å; L351-F357 HydrophobicContact CD1-CD2 3.6Å; L351-F357 HydrophobicContact CD1-CE2 4.06Å; L351-F357 HydrophobicContact CD1-CG 3.84Å; L351-F357 HydrophobicContact CG-CB 4.45Å; L351-F357 HydrophobicContact CG-CD2 3.52Å; L351-F357 HydrophobicContact CG-CE2 4.04Å; L351-F357 HydrophobicContact CG-CG 4.17Å; L351-I359 HydrophobicContact CD1-CD1 4.23Å; L351-I359 HydrophobicContact CD2-CD1 4.28Å; L351-A379 HydrophobicContact CD1-CB 4.31Å |
| 352 | F | 95 | Very high | 97.4 | Very high | 120 Ų | 120 | 37.2 Ų | 37.2 | 53% | 0.526 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 158.1 | 171.7 | -48.2 | -87.2 | 0 | 0 | 0 | 107.6 | E350 E354 K355 F357 | E350-F352 WeakPolarHBondContact CG-O 3.23Å; F352-E354 PolarHBondContact O-N 2.84Å; F352-K355 HydrophobicContact CB-CB 4.11Å; F352-K355 HydrophobicContact CB-CD 4.13Å; F352-K355 HydrophobicContact CB-CG 4.34Å; F352-K355 HydrophobicContact CD2-CB 4.34Å; F352-K355 HydrophobicContact CD2-CD 4.26Å; F352-K355 PolarHBondContact O-N 2.97Å; F352-F357 HydrophobicContact CD2-CE2 4.07Å; F352-F357 HydrophobicContact CD2-CZ 4.31Å; F352-F357 HydrophobicContact CE2-CE2 4.37Å; F352-F357 HydrophobicContact CE2-CZ 4.33Å |
| 353 | P | 95.9 | Very high | 97.4 | Very high | 113 Ų | 113 | 37.7 Ų | 37.7 | 73% | 0.734 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -47.6 | 124.7 | 177.6 | -29.6 | 36.2 | 0 | 0 | 0 | 112.4 | E350 K355 | E350-P353 WeakPolarHBondContact OE1-CA 3.49Å; P353-K355 PolarHBondContact O-N 3.29Å; P353-K355 VanDerWaalsContact O-N 3.15Å |
| 354 | E | 94 | Very high | 97.4 | Very high | 142 Ų | 142 | 37.7 Ų | 37.7 | 66% | 0.664 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.6 | 4.9 | -177.8 | -59.5 | 179 | 173.4 | 0 | 0 | 115.7 | E350 F352 L384 | E350-E354 PolarHBondContact OE1-N 3.05Å; F352-E354 PolarHBondContact O-N 2.84Å; E354-L384 HydrophobicContact CB-CD2 4.18Å; E354-L384 HydrophobicContact CG-CD2 4.21Å |
| 355 | K | 96.8 | Very high | 97.5 | Very high | 126 Ų | 126 | 38.9 Ų | 38.9 | 55% | 0.548 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 104.5 | -178.9 | -59.1 | -172.3 | -173 | 175.3 | 0 | 111.6 | E350 L351 F352 P353 F357 | E350-K355 WeakPolarHBondContact CA-O 3.29Å; L351-K355 PolarHBondContact N-O 3.14Å; F352-K355 HydrophobicContact CB-CB 4.11Å; F352-K355 HydrophobicContact CB-CD 4.13Å; F352-K355 HydrophobicContact CB-CG 4.34Å; F352-K355 HydrophobicContact CD2-CB 4.34Å; F352-K355 HydrophobicContact CD2-CD 4.26Å; F352-K355 PolarHBondContact O-N 2.97Å; P353-K355 PolarHBondContact O-N 3.29Å; P353-K355 VanDerWaalsContact O-N 3.15Å; K355-F357 HydrophobicContact CB-CE2 3.85Å; K355-F357 HydrophobicContact CB-CZ 4.38Å; K355-F357 WeakPolarHBondContact O-CD2 3.4Å; K355-F357 WeakPolarHBondContact O-CE2 3.09Å |
| 356 | W | 97.9 | Very high | 97.4 | Very high | 28 Ų | 28 | 38.2 Ų | 38.2 | 11% | 0.106 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 150.5 | -179.5 | -72.5 | 79.8 | 0 | 0 | 0 | 112 | V313 I348 A349 E350 L382 I387 | V313-W356 HydrophobicContact CG1-CH2 4.23Å; V313-W356 HydrophobicContact CG1-CZ3 4.1Å; I348-W356 HydrophobicContact CB-CE3 4.27Å; I348-W356 HydrophobicContact CD1-CE3 4.24Å; I348-W356 HydrophobicContact CD1-CZ3 4.18Å; I348-W356 HydrophobicContact CG1-CE3 4.42Å; I348-W356 HydrophobicContact CG1-CZ3 4.29Å; A349-W356 CarbonylContact O-C 3.56Å; A349-W356 WeakPolarHBondContact O-CA 3.39Å; E350-W356 HydrophobicContact CB-CD2 3.95Å; E350-W356 HydrophobicContact CB-CE3 4.3Å; E350-W356 HydrophobicContact CB-CG 4.49Å; E350-W356 HydrophobicContact CB-CH2 4.16Å; E350-W356 HydrophobicContact CB-CZ2 3.79Å; E350-W356 HydrophobicContact CB-CZ3 4.39Å; E350-W356 HydrophobicContact CG-CZ2 4.46Å; E350-W356 WeakPolarHBondContact OE2-CZ2 3.36Å; W356-L382 HydrophobicContact CB-CB 4.13Å; W356-L382 PolarHBondContact O-N 3.48Å; W356-I387 HydrophobicContact CB-CD1 4.18Å; W356-I387 HydrophobicContact CB-CG1 3.74Å; W356-I387 HydrophobicContact CD2-CB 4.48Å; W356-I387 HydrophobicContact CD2-CG1 4.03Å; W356-I387 HydrophobicContact CD2-CG2 3.86Å; W356-I387 HydrophobicContact CE3-CG1 4.47Å; W356-I387 HydrophobicContact CE3-CG2 4.13Å; W356-I387 HydrophobicContact CG-CB 4.42Å; W356-I387 HydrophobicContact CG-CD1 4.41Å; W356-I387 HydrophobicContact CG-CG1 3.69Å; W356-I387 HydrophobicContact CG-CG2 4.3Å; W356-I387 HydrophobicContact CH2-CG2 4.44Å; W356-I387 HydrophobicContact CZ2-CG2 4.19Å; W356-I387 HydrophobicContact CZ3-CG2 4.41Å |
| 357 | F | 98.1 | Very high | 97.3 | Very high | 32 Ų | 32 | 38.9 Ų | 38.9 | 14% | 0.14 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 144.5 | -178.9 | -60.9 | -99.3 | 0 | 0 | 0 | 110.6 | I348 A349 L351 F352 K355 I359 A379 T380 P381 | I348-F357 CarbonylContact C-O 3.54Å; I348-F357 VanDerWaalsContact CA-O 3.23Å; I348-F357 WeakPolarHBondContact CA-O 3.36Å; A349-F357 PolarHBondContact N-O 3.08Å; A349-F357 PolarHBondContact O-N 3.07Å; L351-F357 HydrophobicContact CB-CD2 3.79Å; L351-F357 HydrophobicContact CB-CE2 3.8Å; L351-F357 HydrophobicContact CD1-CB 4.21Å; L351-F357 HydrophobicContact CD1-CD1 4.46Å; L351-F357 HydrophobicContact CD1-CD2 3.6Å; L351-F357 HydrophobicContact CD1-CE2 4.06Å; L351-F357 HydrophobicContact CD1-CG 3.84Å; L351-F357 HydrophobicContact CG-CB 4.45Å; L351-F357 HydrophobicContact CG-CD2 3.52Å; L351-F357 HydrophobicContact CG-CE2 4.04Å; L351-F357 HydrophobicContact CG-CG 4.17Å; F352-F357 HydrophobicContact CD2-CE2 4.07Å; F352-F357 HydrophobicContact CD2-CZ 4.31Å; F352-F357 HydrophobicContact CE2-CE2 4.37Å; F352-F357 HydrophobicContact CE2-CZ 4.33Å; K355-F357 HydrophobicContact CB-CE2 3.85Å; K355-F357 HydrophobicContact CB-CZ 4.38Å; K355-F357 WeakPolarHBondContact O-CD2 3.4Å; K355-F357 WeakPolarHBondContact O-CE2 3.09Å; F357-I359 HydrophobicContact CB-CG1 4.34Å; F357-A379 HydrophobicContact CB-CB 4.05Å; F357-A379 HydrophobicContact CD1-CB 3.85Å; F357-A379 HydrophobicContact CG-CB 4.19Å; F357-T380 CarbonylContact C-O 3.09Å; F357-T380 WeakPolarHBondContact CA-O 3.39Å; F357-P381 HydrophobicContact CD1-CB 4.19Å; F357-P381 HydrophobicContact CE1-CB 4.04Å |
| 358 | D | 98 | Very high | 97 | Very high | 8 Ų | 8 | 40.7 Ų | 40.7 | 4% | 0.043 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 133.3 | 164.1 | -178.7 | 82.9 | 0 | 0 | 0 | 109.6 | I348 T380 L382 W425 H426 | I348-D358 HydrophobicContact CG2-CB 4.46Å; D358-T380 PolarHBondContact N-O 3.4Å; D358-T380 PolarHBondContact O-N 3.31Å; D358-L382 HydrophobicContact CB-CD1 4.07Å; D358-L382 HydrophobicContact CB-CG 4.41Å; D358-W425 HydrophobicContact CB-CH2 3.8Å; D358-W425 HydrophobicContact CB-CZ2 3.76Å; D358-H426 IonicContact OD2-CD2 3.99Å; D358-H426 IonicContact OD2-CE1 3.88Å; D358-H426 PolarHBondContact OD2-CE1 3.15Å; D358-H426 IonicContact OD2-NE2 2.71Å; D358-H426 PolarHBondContact OD2-NE2 2.82Å |
| 359 | I | 98.3 | Very high | 96.7 | Very high | 4 Ų | 4 | 44.6 Ų | 44.6 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 132.1 | -176.4 | -50 | 176.7 | 0 | 0 | 0 | 108.5 | Y315 N346 F347 A349 L351 F357 F376 A379 | Y315-I359 HydrophobicContact CE1-CD1 4.29Å; N346-I359 CarbonylContact C-O 3.58Å; N346-I359 WeakPolarHBondContact CA-O 3.34Å; F347-I359 HydrophobicContact CD1-CB 4.4Å; F347-I359 WeakPolarHBondContact CD1-O 3.11Å; F347-I359 HydrophobicContact CE1-CB 3.81Å; F347-I359 HydrophobicContact CE1-CG2 3.84Å; F347-I359 WeakPolarHBondContact CE1-O 3.36Å; F347-I359 HydrophobicContact CE2-CB 4.09Å; F347-I359 HydrophobicContact CE2-CD1 4.09Å; F347-I359 HydrophobicContact CZ-CB 3.63Å; F347-I359 HydrophobicContact CZ-CD1 4.08Å; F347-I359 HydrophobicContact CZ-CG1 4.39Å; F347-I359 HydrophobicContact CZ-CG2 3.73Å; F347-I359 PolarHBondContact N-O 3.16Å; F347-I359 PolarHBondContact O-N 3.11Å; A349-I359 HydrophobicContact CB-CD1 4.47Å; L351-I359 HydrophobicContact CD1-CD1 4.23Å; L351-I359 HydrophobicContact CD2-CD1 4.28Å; F357-I359 HydrophobicContact CB-CG1 4.34Å; I359-F376 HydrophobicContact CG2-CB 4.01Å; I359-F376 HydrophobicContact CG2-CD1 4.01Å; I359-F376 HydrophobicContact CG2-CG 4.42Å; I359-A379 HydrophobicContact CD1-CB 4.3Å; I359-A379 HydrophobicContact CG1-CB 4.01Å |
| 360 | G | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 129.8 | 167 | 0 | 0 | 0 | 0 | 0 | 111.2 | N346 F376 T377 | N346-G360 WeakPolarHBondContact OD1-CA 3.43Å; G360-F376 CarbonylContact O-C 3.58Å; G360-F376 VanDerWaalsContact O-CA 3.27Å; G360-F376 WeakPolarHBondContact O-CA 3.47Å; G360-T377 PolarHBondContact N-OG1 3.45Å; G360-T377 PolarHBondContact O-N 2.85Å |
| 361 | C | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 119.8 | 164.5 | 175.7 | 0 | 0 | 0 | 0 | 108.4 | L344 E345 F347 E374 F376 | L344-C361 CarbonylContact C-O 3.49Å; L344-C361 WeakPolarHBondContact CA-O 3.28Å; E345-C361 PolarHBondContact N-O 3.49Å; E345-C361 PolarHBondContact O-N 2.77Å; F347-C361 HydrophobicContact CD1-CB 4.33Å; F347-C361 HydrophobicContact CE1-CB 3.99Å; C361-E374 PolarHBondContact SG-OE1 3.06Å; C361-F376 HydrophobicContact CB-CD1 4.11Å; C361-F376 HydrophobicContact CB-CE1 3.84Å |
| 362 | L | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 123.8 | 171.2 | -66.9 | 75.7 | 0 | 0 | 0 | 108.7 | A343 L344 E374 V375 T377 A441 A442 L445 | A343-L362 CarbonylContact O-C 3.59Å; A343-L362 VanDerWaalsContact O-CA 3.29Å; A343-L362 WeakPolarHBondContact O-CA 3.36Å; L344-L362 HydrophobicContact CD1-CD1 3.56Å; L344-L362 HydrophobicContact CD1-CG 3.81Å; L362-E374 CarbonylContact O-C 3.54Å; L362-E374 WeakPolarHBondContact O-CA 3.4Å; L362-V375 PolarHBondContact N-O 2.87Å; L362-V375 PolarHBondContact O-N 3.21Å; L362-T377 HydrophobicContact CD1-CG2 3.76Å; L362-A441 HydrophobicContact CD1-CB 3.7Å; L362-A441 HydrophobicContact CD2-CB 4Å; L362-A442 HydrophobicContact CD2-CB 3.91Å; L362-L445 HydrophobicContact CB-CD2 3.99Å; L362-L445 HydrophobicContact CD2-CD2 4.28Å |
| 363 | I | 98.6 | Very high | 96.7 | Very high | 10 Ų | 10 | 40.5 Ų | 40.5 | 5% | 0.051 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 128 | 173 | -61.5 | -178.2 | 0 | 0 | 0 | 108.3 | A319 A322 Q323 I326 V342 A343 L373 E374 | A319-I363 WeakPolarHBondContact O-CD1 3.32Å; A322-I363 HydrophobicContact CB-CB 4.31Å; A322-I363 HydrophobicContact CB-CD1 3.76Å; A322-I363 HydrophobicContact CB-CG1 3.91Å; Q323-I363 HydrophobicContact CB-CD1 4.39Å; I326-I363 HydrophobicContact CD1-CB 4.42Å; I326-I363 HydrophobicContact CD1-CG2 3.99Å; V342-I363 CarbonylContact C-O 3.59Å; V342-I363 VanDerWaalsContact CA-O 3.3Å; V342-I363 WeakPolarHBondContact CA-O 3.43Å; A343-I363 PolarHBondContact N-O 3.43Å; A343-I363 PolarHBondContact O-N 3.39Å; I363-L373 CarbonylContact C-O 3.57Å; I363-L373 WeakPolarHBondContact CA-O 3.49Å; I363-E374 HydrophobicContact CG1-CG 4.27Å |
| 364 | L | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 128.7 | 163 | -178.9 | 151.2 | 0 | 0 | 0 | 108.8 | F290 V341 V342 D366 I371 C372 L373 L445 Y449 | F290-L364 HydrophobicContact CE1-CD1 4.05Å; F290-L364 HydrophobicContact CZ-CD1 3.78Å; V341-L364 CarbonylContact O-C 3.43Å; V341-L364 VanDerWaalsContact O-CA 3.27Å; V341-L364 WeakPolarHBondContact O-CA 3.4Å; V342-L364 HydrophobicContact CG2-CB 4.12Å; V342-L364 HydrophobicContact CG2-CD1 3.83Å; V342-L364 HydrophobicContact CG2-CG 4.09Å; L364-D366 HydrophobicContact CD2-CB 4.32Å; L364-I371 HydrophobicContact CD2-CG2 4.02Å; L364-C372 CarbonylContact O-C 3.58Å; L364-C372 WeakPolarHBondContact O-CA 3.49Å; L364-L373 HydrophobicContact CB-CB 4.38Å; L364-L373 PolarHBondContact N-O 2.95Å; L364-L373 PolarHBondContact O-N 3.23Å; L364-L445 HydrophobicContact CB-CD1 3.89Å; L364-L445 HydrophobicContact CB-CD2 3.96Å; L364-L445 HydrophobicContact CB-CG 3.99Å; L364-Y449 HydrophobicContact CD1-CD1 3.56Å; L364-Y449 HydrophobicContact CD1-CD2 4.23Å; L364-Y449 HydrophobicContact CD1-CE1 3.9Å; L364-Y449 HydrophobicContact CD1-CG 3.71Å; L364-Y449 HydrophobicContact CD2-CD1 4.4Å; L364-Y449 HydrophobicContact CD2-CD2 3.67Å; L364-Y449 HydrophobicContact CD2-CE1 4.43Å; L364-Y449 HydrophobicContact CD2-CE2 3.77Å; L364-Y449 HydrophobicContact CD2-CG 4Å |
| 365 | E | 98.1 | Very high | 97 | Very high | 36 Ų | 36 | 32.9 Ų | 32.9 | 17% | 0.168 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 124 | 174.5 | -159.4 | -163.3 | 146.9 | 0 | 0 | 111.1 | Q323 I326 R330 V341 C372 | Q323-E365 PolarHBondContact NE2-OE2 3.08Å; I326-E365 HydrophobicContact CD1-CB 3.94Å; R330-E365 IonicContact CZ-OE1 3.49Å; R330-E365 IonicContact CZ-OE2 3.59Å; R330-E365 IonicContact NH1-OE1 2.71Å; R330-E365 PolarHBondContact NH1-OE1 3.42Å; R330-E365 IonicContact NH1-OE2 3.06Å; R330-E365 PolarHBondContact NH1-OE2 2.86Å; R330-E365 VanDerWaalsContact NH2-CD 3.28Å; R330-E365 IonicContact NH2-OE1 3.38Å; R330-E365 PolarHBondContact NH2-OE1 2.93Å; R330-E365 IonicContact NH2-OE2 3.34Å; R330-E365 PolarHBondContact NH2-OE2 2.93Å; V341-E365 PolarHBondContact N-O 3.15Å; V341-E365 PolarHBondContact O-N 2.91Å; E365-C372 HydrophobicContact CG-CB 4.49Å |
| 366 | D | 96.8 | Very high | 97.1 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 95.2 | 177.7 | 171.7 | -2.9 | 0 | 0 | 0 | 109 | P340 L364 G368 H369 G370 I371 Y449 | P340-D366 HydrophobicContact CB-CB 4.13Å; P340-D366 HydrophobicContact CG-CB 4.23Å; L364-D366 HydrophobicContact CD2-CB 4.32Å; D366-G368 PolarHBondContact O-N 2.88Å; D366-G368 WeakPolarHBondContact OD1-CA 3.37Å; D366-G368 PolarHBondContact OD1-N 3.31Å; D366-H369 PolarHBondContact O-N 2.9Å; D366-H369 PolarHBondContact OD1-N 2.82Å; D366-H369 VanDerWaalsContact OD1-N 3.07Å; D366-H369 IonicContact OD1-ND1 3.44Å; D366-H369 PolarHBondContact OD1-ND1 3.14Å; D366-H369 IonicContact OD2-CE1 3.78Å; D366-H369 IonicContact OD2-CG 3.45Å; D366-H369 IonicContact OD2-ND1 2.74Å; D366-H369 PolarHBondContact OD2-ND1 3.36Å; D366-G370 PolarHBondContact O-N 2.87Å; D366-I371 HydrophobicContact CB-CB 4.26Å; D366-I371 PolarHBondContact N-O 3.23Å; D366-I371 PolarHBondContact O-N 2.84Å; D366-Y449 HydrophobicContact CB-CE2 4.13Å; D366-Y449 PolarHBondContact OD2-OH 3.38Å |
| 367 | P | 94.9 | Very high | 97.1 | Very high | 51 Ų | 51 | 29.8 Ų | 29.8 | 33% | 0.331 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -12.6 | 177.4 | -20.1 | 34.8 | 0 | 0 | 0 | 113.7 | R330 E337 | R330-P367 VanDerWaalsContact CZ-CG 3.43Å; R330-P367 VanDerWaalsContact NH2-CD 3.33Å; R330-P367 VanDerWaalsContact NH2-CG 3.25Å; E337-P367 WeakPolarHBondContact O-CG 3.39Å |
| 368 | G | 91.3 | Very high | 97 | Very high | 38 Ų | 38 | 34.8 Ų | 34.8 | 39% | 0.392 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -43.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | D366 | D366-G368 PolarHBondContact O-N 2.88Å; D366-G368 WeakPolarHBondContact OD1-CA 3.37Å; D366-G368 PolarHBondContact OD1-N 3.31Å |
| 369 | H | 92.6 | Very high | 96.9 | Very high | 82 Ų | 82 | 36.1 Ų | 36.1 | 38% | 0.38 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | -1.2 | 178 | -56.9 | 99.4 | 0 | 0 | 0 | 113.8 | D366 I371 | D366-H369 PolarHBondContact O-N 2.9Å; D366-H369 PolarHBondContact OD1-N 2.82Å; D366-H369 VanDerWaalsContact OD1-N 3.07Å; D366-H369 IonicContact OD1-ND1 3.44Å; D366-H369 PolarHBondContact OD1-ND1 3.14Å; D366-H369 IonicContact OD2-CE1 3.78Å; D366-H369 IonicContact OD2-CG 3.45Å; D366-H369 IonicContact OD2-ND1 2.74Å; D366-H369 PolarHBondContact OD2-ND1 3.36Å; H369-I371 VanDerWaalsContact C-N 3.32Å; H369-I371 HydrophobicContact CB-CD1 3.72Å; H369-I371 HydrophobicContact CB-CG1 4.04Å |
| 370 | G | 94.6 | Very high | 96.9 | Very high | 70 Ų | 70 | 36.1 Ų | 36.1 | 72% | 0.722 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70 | 28.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | D366 | D366-G370 PolarHBondContact O-N 2.87Š|
| 371 | I | 96.3 | Very high | 96.8 | Very high | 10 Ų | 10 | 39.6 Ų | 39.6 | 5% | 0.051 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 129.3 | -175.9 | -69.6 | 167.6 | 0 | 0 | 0 | 109.9 | L364 D366 H369 L373 Y449 Q452 L453 | L364-I371 HydrophobicContact CD2-CG2 4.02Å; D366-I371 HydrophobicContact CB-CB 4.26Å; D366-I371 PolarHBondContact N-O 3.23Å; D366-I371 PolarHBondContact O-N 2.84Å; H369-I371 VanDerWaalsContact C-N 3.32Å; H369-I371 HydrophobicContact CB-CD1 3.72Å; H369-I371 HydrophobicContact CB-CG1 4.04Å; I371-L373 HydrophobicContact CG2-CD1 4.03Å; I371-L373 HydrophobicContact CG2-CG 3.93Å; I371-Y449 HydrophobicContact CB-CE2 4.46Å; I371-Y449 HydrophobicContact CD1-CD2 4.04Å; I371-Y449 HydrophobicContact CD1-CE2 3.83Å; I371-Y449 HydrophobicContact CG2-CD2 3.91Å; I371-Y449 HydrophobicContact CG2-CE2 4.15Å; I371-Q452 HydrophobicContact CD1-CB 3.68Å; I371-Q452 HydrophobicContact CG1-CB 4.18Å; I371-L453 HydrophobicContact CD1-CD2 4.09Å |
| 372 | C | 97.3 | Very high | 96.7 | Very high | 81 Ų | 81 | 40.4 Ų | 40.4 | 55% | 0.547 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 126.3 | 165.8 | -174.1 | 0 | 0 | 0 | 0 | 108.7 | L364 E365 | L364-C372 CarbonylContact O-C 3.58Å; L364-C372 WeakPolarHBondContact O-CA 3.49Å; E365-C372 HydrophobicContact CG-CB 4.49Å |
| 373 | L | 98.2 | Very high | 96.4 | Very high | 18 Ų | 18 | 43.9 Ų | 43.9 | 9% | 0.094 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 135.8 | -176.9 | -69.8 | 171.9 | 0 | 0 | 0 | 110.1 | I363 L364 I371 L445 L448 Y449 | I363-L373 CarbonylContact C-O 3.57Å; I363-L373 WeakPolarHBondContact CA-O 3.49Å; L364-L373 HydrophobicContact CB-CB 4.38Å; L364-L373 PolarHBondContact N-O 2.95Å; L364-L373 PolarHBondContact O-N 3.23Å; I371-L373 HydrophobicContact CG2-CD1 4.03Å; I371-L373 HydrophobicContact CG2-CG 3.93Å; L373-L445 HydrophobicContact CB-CD1 3.72Å; L373-L448 HydrophobicContact CD1-CB 4.01Å; L373-L448 HydrophobicContact CD2-CB 4.41Å; L373-Y449 HydrophobicContact CD1-CD2 4.44Å |
| 374 | E | 98.1 | Very high | 96.3 | Very high | 81 Ų | 81 | 45.5 Ų | 45.5 | 38% | 0.379 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 130.3 | 177.1 | -174.1 | 178.4 | -164.2 | 0 | 0 | 109.7 | C361 L362 I363 F376 | C361-E374 PolarHBondContact SG-OE1 3.06Å; L362-E374 CarbonylContact O-C 3.54Å; L362-E374 WeakPolarHBondContact O-CA 3.4Å; I363-E374 HydrophobicContact CG1-CG 4.27Å; E374-F376 HydrophobicContact CG-CE2 4.21Å; E374-F376 HydrophobicContact CG-CZ 4.09Å; E374-F376 WeakPolarHBondContact OE1-CZ 3.44Å |
| 375 | V | 98.4 | Very high | 96.2 | Very high | 15 Ų | 15 | 51 Ų | 51 | 9% | 0.091 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 134.7 | 179.1 | 175.1 | 0 | 0 | 0 | 0 | 109.5 | L362 A441 V444 L445 L448 | L362-V375 PolarHBondContact N-O 2.87Å; L362-V375 PolarHBondContact O-N 3.21Å; V375-A441 HydrophobicContact CG1-CB 4.21Å; V375-V444 HydrophobicContact CG1-CB 4.27Å; V375-V444 HydrophobicContact CG1-CG1 4.2Å; V375-V444 HydrophobicContact CG2-CG1 4.3Å; V375-L445 HydrophobicContact CB-CB 4.41Å; V375-L445 HydrophobicContact CB-CD1 4.2Å; V375-L445 HydrophobicContact CG2-CB 4.07Å; V375-L445 HydrophobicContact CG2-CD1 3.69Å; V375-L448 HydrophobicContact CG2-CD1 3.89Å |
| 376 | F | 98.3 | Very high | 96.1 | Very high | 73 Ų | 73 | 50.6 Ų | 50.6 | 32% | 0.32 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 147.5 | 175.6 | -61.7 | -78.8 | 0 | 0 | 0 | 112 | Y315 F347 I359 G360 C361 E374 | Y315-F376 HydrophobicContact CD1-CD1 4.36Å; Y315-F376 AromaticContact CD1-CE1 3.75Å; Y315-F376 HydrophobicContact CD1-CE1 3.75Å; Y315-F376 AromaticContact CD1-CZ 3.89Å; Y315-F376 HydrophobicContact CD1-CZ 3.89Å; Y315-F376 HydrophobicContact CE1-CD1 4.3Å; Y315-F376 HydrophobicContact CE1-CE1 4.12Å; Y315-F376 HydrophobicContact CE1-CZ 4.32Å; F347-F376 AromaticContact CE1-CD1 3.99Å; F347-F376 HydrophobicContact CE1-CD1 3.99Å; F347-F376 AromaticContact CE1-CE1 3.97Å; F347-F376 HydrophobicContact CE1-CE1 3.97Å; F347-F376 HydrophobicContact CZ-CD1 4.09Å; F347-F376 HydrophobicContact CZ-CE1 4.03Å; I359-F376 HydrophobicContact CG2-CB 4.01Å; I359-F376 HydrophobicContact CG2-CD1 4.01Å; I359-F376 HydrophobicContact CG2-CG 4.42Å; G360-F376 CarbonylContact O-C 3.58Å; G360-F376 VanDerWaalsContact O-CA 3.27Å; G360-F376 WeakPolarHBondContact O-CA 3.47Å; C361-F376 HydrophobicContact CB-CD1 4.11Å; C361-F376 HydrophobicContact CB-CE1 3.84Å; E374-F376 HydrophobicContact CG-CE2 4.21Å; E374-F376 HydrophobicContact CG-CZ 4.09Å; E374-F376 WeakPolarHBondContact OE1-CZ 3.44Å |
| 377 | T | 98.2 | Very high | 96.1 | Very high | 15 Ų | 15 | 50.6 Ų | 50.6 | 9% | 0.092 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 167.7 | 169.3 | 69.7 | 0 | 0 | 0 | 0 | 111.7 | G360 L362 A379 I437 A441 | G360-T377 PolarHBondContact N-OG1 3.45Å; G360-T377 PolarHBondContact O-N 2.85Å; L362-T377 HydrophobicContact CD1-CG2 3.76Å; T377-A379 PolarHBondContact O-N 2.89Å; T377-I437 HydrophobicContact CG2-CG2 4.01Å; T377-A441 HydrophobicContact CG2-CB 3.89Å |
| 378 | Q | 95.7 | Very high | 96.2 | Very high | 138 Ų | 138 | 53.4 Ų | 53.4 | 65% | 0.645 | 31% | 0.311 | S | S | * | . | P | Polyproline II helix | trans | -57.2 | 133.8 | 162.4 | -173.8 | 174.3 | 18.8 | 0 | 0 | 109.9 | ||
| 379 | A | 96.5 | Very high | 96.4 | Very high | 35 Ų | 35 | 55.3 Ų | 55.3 | 29% | 0.289 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -72.4 | 124.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | L351 F357 I359 T377 | L351-A379 HydrophobicContact CD1-CB 4.31Å; F357-A379 HydrophobicContact CB-CB 4.05Å; F357-A379 HydrophobicContact CD1-CB 3.85Å; F357-A379 HydrophobicContact CG-CB 4.19Å; I359-A379 HydrophobicContact CD1-CB 4.3Å; I359-A379 HydrophobicContact CG1-CB 4.01Å; T377-A379 PolarHBondContact O-N 2.89Å |
| 380 | T | 96.9 | Very high | 96.6 | Very high | 5 Ų | 5 | 51.4 Ų | 51.4 | 3% | 0.031 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 120.7 | 178.2 | -65.6 | 0 | 0 | 0 | 0 | 109.8 | F357 D358 W425 H426 T430 | F357-T380 CarbonylContact C-O 3.09Å; F357-T380 WeakPolarHBondContact CA-O 3.39Å; D358-T380 PolarHBondContact N-O 3.4Å; D358-T380 PolarHBondContact O-N 3.31Å; T380-W425 HydrophobicContact CG2-CH2 3.56Å; T380-W425 HydrophobicContact CG2-CZ3 3.55Å; T380-H426 PolarHBondContact OG1-CD2 2.63Å; T380-T430 HydrophobicContact CG2-CG2 3.65Å |
| 381 | P | 95.9 | Very high | 96.7 | Very high | 72 Ų | 72 | 51.5 Ų | 51.5 | 47% | 0.468 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 140.3 | -175.4 | 27.8 | -35.1 | 0 | 0 | 0 | 112.3 | F357 | F357-P381 HydrophobicContact CD1-CB 4.19Å; F357-P381 HydrophobicContact CE1-CB 4.04Å |
| 382 | L | 96 | Very high | 96.8 | Very high | 17 Ų | 17 | 55.6 Ų | 55.6 | 9% | 0.089 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 144.5 | 177 | -67.9 | 178.5 | 0 | 0 | 0 | 110.5 | I348 W356 D358 I387 V409 W425 | I348-L382 HydrophobicContact CB-CD1 4.39Å; I348-L382 HydrophobicContact CG2-CD1 3.45Å; I348-L382 VanDerWaalsContact CG2-CD1 3.45Å; W356-L382 HydrophobicContact CB-CB 4.13Å; W356-L382 PolarHBondContact O-N 3.48Å; D358-L382 HydrophobicContact CB-CD1 4.07Å; D358-L382 HydrophobicContact CB-CG 4.41Å; L382-I387 HydrophobicContact CB-CD1 4.26Å; L382-I387 HydrophobicContact CD1-CD1 3.85Å; L382-V409 HydrophobicContact CD1-CB 4.43Å; L382-V409 HydrophobicContact CD1-CG1 4.05Å; L382-V409 HydrophobicContact CD1-CG2 4.18Å; L382-V409 HydrophobicContact CD2-CG1 3.71Å; L382-V409 HydrophobicContact CG-CG1 4.48Å; L382-W425 HydrophobicContact CD2-CH2 3.36Å; L382-W425 HydrophobicContact CD2-CZ2 4.05Å; L382-W425 HydrophobicContact CD2-CZ3 3.74Å; L382-W425 HydrophobicContact CG-CH2 4.31Å |
| 383 | T | 94.3 | Very high | 96.8 | Very high | 73 Ų | 73 | 55.8 Ų | 55.8 | 45% | 0.448 | 30% | 0.298 | S | S | . | . | trans | -79.8 | 142.3 | 173.6 | 59.3 | 0 | 0 | 0 | 0 | 110.7 | D385 H386 | T383-D385 PolarHBondContact O-N 3.23Å; T383-H386 PolarHBondContact O-N 2.97Å; T383-H386 PolarHBondContact OG1-CE1 3.07Å; T383-H386 PolarHBondContact OG1-ND1 2.76Å | ||
| 384 | L | 95.9 | Very high | 96.7 | Very high | 45 Ų | 45 | 55.2 Ų | 55.2 | 24% | 0.236 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -56.8 | -36.6 | -180 | -176.6 | 63.8 | 0 | 0 | 0 | 112.4 | E354 H386 I387 Q388 | E354-L384 HydrophobicContact CB-CD2 4.18Å; E354-L384 HydrophobicContact CG-CD2 4.21Å; L384-H386 VanDerWaalsContact C-N 3.33Å; L384-H386 PolarHBondContact O-N 3.38Å; L384-I387 WeakPolarHBondContact O-CB 3.48Å; L384-I387 PolarHBondContact O-N 2.88Å; L384-Q388 HydrophobicContact CD1-CG 4.28Å; L384-Q388 HydrophobicContact CG-CG 4.13Å; L384-Q388 WeakPolarHBondContact O-CG 3.49Å; L384-Q388 PolarHBondContact O-N 2.88Å |
| 385 | D | 95.9 | Very high | 96.7 | Very high | 115 Ų | 115 | 54 Ų | 54 | 62% | 0.615 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -56.2 | -44 | -179.6 | -54.8 | -38.4 | 0 | 0 | 0 | 112.5 | T383 I387 Q388 Q389 | T383-D385 PolarHBondContact O-N 3.23Å; D385-I387 VanDerWaalsContact C-N 3.31Å; D385-I387 PolarHBondContact O-N 3.39Å; D385-Q388 PolarHBondContact O-N 3.45Å; D385-Q389 WeakPolarHBondContact O-CB 3.42Å; D385-Q389 PolarHBondContact O-N 3.41Å |
| 386 | H | 95.3 | Very high | 96.5 | Very high | 28 Ų | 28 | 58.7 Ų | 58.7 | 13% | 0.13 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -68.1 | -32.9 | 178.7 | -63 | 137.8 | 0 | 0 | 0 | 111.9 | T383 L384 A390 V409 I412 L413 S416 | T383-H386 PolarHBondContact O-N 2.97Å; T383-H386 PolarHBondContact OG1-CE1 3.07Å; T383-H386 PolarHBondContact OG1-ND1 2.76Å; L384-H386 VanDerWaalsContact C-N 3.33Å; L384-H386 PolarHBondContact O-N 3.38Å; H386-A390 PolarHBondContact O-N 3.47Å; H386-V409 HydrophobicContact CB-CG1 4.27Å; H386-I412 HydrophobicContact CB-CG2 3.97Å; H386-I412 WeakPolarHBondContact O-CD1 3.35Å; H386-L413 WeakPolarHBondContact CE1-CD2 3.27Å; H386-S416 PolarHBondContact NE2-OG 3.29Å; H386-S416 VanDerWaalsContact NE2-OG 3.14Å |
| 387 | I | 96.9 | Very high | 96.4 | Very high | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -71.2 | -45.3 | 176.2 | -51.9 | -54.6 | 0 | 0 | 0 | 110.7 | I348 W356 L382 L384 D385 Q389 A390 H391 V409 | I348-I387 HydrophobicContact CD1-CD1 3.86Å; I348-I387 HydrophobicContact CD1-CG2 4.46Å; W356-I387 HydrophobicContact CB-CD1 4.18Å; W356-I387 HydrophobicContact CB-CG1 3.74Å; W356-I387 HydrophobicContact CD2-CB 4.48Å; W356-I387 HydrophobicContact CD2-CG1 4.03Å; W356-I387 HydrophobicContact CD2-CG2 3.86Å; W356-I387 HydrophobicContact CE3-CG1 4.47Å; W356-I387 HydrophobicContact CE3-CG2 4.13Å; W356-I387 HydrophobicContact CG-CB 4.42Å; W356-I387 HydrophobicContact CG-CD1 4.41Å; W356-I387 HydrophobicContact CG-CG1 3.69Å; W356-I387 HydrophobicContact CG-CG2 4.3Å; W356-I387 HydrophobicContact CH2-CG2 4.44Å; W356-I387 HydrophobicContact CZ2-CG2 4.19Å; W356-I387 HydrophobicContact CZ3-CG2 4.41Å; L382-I387 HydrophobicContact CB-CD1 4.26Å; L382-I387 HydrophobicContact CD1-CD1 3.85Å; L384-I387 WeakPolarHBondContact O-CB 3.48Å; L384-I387 PolarHBondContact O-N 2.88Å; D385-I387 VanDerWaalsContact C-N 3.31Å; D385-I387 PolarHBondContact O-N 3.39Å; I387-Q389 VanDerWaalsContact C-N 3.29Å; I387-Q389 PolarHBondContact O-N 3.33Å; I387-A390 WeakPolarHBondContact O-CB 3.35Å; I387-A390 PolarHBondContact O-N 2.99Å; I387-A390 VanDerWaalsContact O-N 3.11Å; I387-H391 PolarHBondContact O-CD2 3.46Å; I387-H391 PolarHBondContact O-N 3.41Å; I387-V409 HydrophobicContact CD1-CG2 3.75Å |
| 388 | Q | 96.8 | Very high | 96.4 | Very high | 109 Ų | 109 | 62.9 Ų | 62.9 | 51% | 0.509 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.3 | -38.5 | 174.8 | -70.2 | -177.9 | -3.1 | 0 | 0 | 111.7 | L384 D385 H391 S392 | L384-Q388 HydrophobicContact CD1-CG 4.28Å; L384-Q388 HydrophobicContact CG-CG 4.13Å; L384-Q388 WeakPolarHBondContact O-CG 3.49Å; L384-Q388 PolarHBondContact O-N 2.88Å; D385-Q388 PolarHBondContact O-N 3.45Å; Q388-H391 PolarHBondContact O-N 3.41Å; Q388-S392 PolarHBondContact O-N 2.91Å; Q388-S392 PolarHBondContact O-OG 2.69Å |
| 389 | Q | 96.9 | Very high | 96.4 | Very high | 78 Ų | 78 | 61 Ų | 61 | 36% | 0.364 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.1 | -43.7 | 172.2 | -169.3 | 169.9 | 9.7 | 0 | 0 | 111.5 | D385 I387 H391 S392 L393 I412 | D385-Q389 WeakPolarHBondContact O-CB 3.42Å; D385-Q389 PolarHBondContact O-N 3.41Å; I387-Q389 VanDerWaalsContact C-N 3.29Å; I387-Q389 PolarHBondContact O-N 3.33Å; Q389-H391 PolarHBondContact O-N 3.34Å; Q389-S392 PolarHBondContact O-N 2.82Å; Q389-S392 PolarHBondContact O-OG 2.87Å; Q389-L393 HydrophobicContact CG-CD1 4.11Å; Q389-L393 VanDerWaalsContact O-CG 3.32Å; Q389-L393 WeakPolarHBondContact O-CG 3.48Å; Q389-L393 PolarHBondContact O-N 3.07Å; Q389-I412 HydrophobicContact CB-CD1 4.31Å; Q389-I412 HydrophobicContact CB-CG2 4.33Å; Q389-I412 HydrophobicContact CG-CD1 4.41Å; Q389-I412 HydrophobicContact CG-CG2 4.29Å; Q389-I412 VanDerWaalsContact OE1-CG2 3.26Å |
| 390 | A | 96.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.1 | -42.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | H386 I387 L393 T394 L405 I412 | H386-A390 PolarHBondContact O-N 3.47Å; I387-A390 WeakPolarHBondContact O-CB 3.35Å; I387-A390 PolarHBondContact O-N 2.99Å; I387-A390 VanDerWaalsContact O-N 3.11Å; A390-L393 PolarHBondContact O-N 2.94Å; A390-T394 PolarHBondContact O-N 2.91Å; A390-T394 PolarHBondContact O-OG1 3.16Å; A390-L405 HydrophobicContact CB-CD1 3.47Å; A390-L405 VanDerWaalsContact CB-CD1 3.47Å; A390-I412 VanDerWaalsContact CA-CD1 3.46Å; A390-I412 HydrophobicContact CB-CD1 3.43Å; A390-I412 VanDerWaalsContact CB-CD1 3.43Å |
| 391 | H | 96.5 | Very high | 96.4 | Very high | 72 Ų | 72 | 66.3 Ų | 66.3 | 33% | 0.333 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.3 | -44.6 | 176.2 | -77.5 | -68.2 | 0 | 0 | 0 | 112.5 | I387 Q388 Q389 L393 T394 L405 | I387-H391 PolarHBondContact O-CD2 3.46Å; I387-H391 PolarHBondContact O-N 3.41Å; Q388-H391 PolarHBondContact O-N 3.41Å; Q389-H391 PolarHBondContact O-N 3.34Å; H391-L393 VanDerWaalsContact C-N 3.3Å; H391-L393 PolarHBondContact O-N 2.8Å; H391-T394 PolarHBondContact O-N 3.28Å; H391-T394 VanDerWaalsContact O-N 3.15Å; H391-L405 WeakPolarHBondContact ND1-CD2 3.34Å |
| 392 | S | 97.3 | Very high | 96.4 | Very high | 96 Ų | 96 | 69.9 Ų | 69.9 | 67% | 0.671 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -66.7 | -30.1 | 179.8 | 65.2 | 0 | 0 | 0 | 0 | 113.3 | Q388 Q389 T394 | Q388-S392 PolarHBondContact O-N 2.91Å; Q388-S392 PolarHBondContact O-OG 2.69Å; Q389-S392 PolarHBondContact O-N 2.82Å; Q389-S392 PolarHBondContact O-OG 2.87Å; S392-T394 VanDerWaalsContact C-N 3.35Å |
| 393 | L | 97 | Very high | 96.4 | Very high | 85 Ų | 85 | 69.2 Ų | 69.2 | 45% | 0.445 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -8 | 174.3 | -65.9 | 173.5 | 0 | 0 | 0 | 113.8 | Q389 A390 H391 P395 V407 | Q389-L393 HydrophobicContact CG-CD1 4.11Å; Q389-L393 VanDerWaalsContact O-CG 3.32Å; Q389-L393 WeakPolarHBondContact O-CG 3.48Å; Q389-L393 PolarHBondContact O-N 3.07Å; A390-L393 PolarHBondContact O-N 2.94Å; H391-L393 VanDerWaalsContact C-N 3.3Å; H391-L393 PolarHBondContact O-N 2.8Å; L393-P395 WeakPolarHBondContact O-CD 3.23Å; L393-V407 HydrophobicContact CB-CB 4.44Å; L393-V407 HydrophobicContact CB-CG2 3.73Å; L393-V407 HydrophobicContact CD1-CG1 4.24Å; L393-V407 HydrophobicContact CD1-CG2 4.29Å |
| 394 | T | 97.5 | Very high | 96.6 | Very high | 6 Ų | 6 | 66 Ų | 66 | 4% | 0.037 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -93.2 | 114 | 179 | -60.2 | 0 | 0 | 0 | 0 | 110.5 | A390 H391 S392 Y398 R401 L405 V406 | A390-T394 PolarHBondContact O-N 2.91Å; A390-T394 PolarHBondContact O-OG1 3.16Å; H391-T394 PolarHBondContact O-N 3.28Å; H391-T394 VanDerWaalsContact O-N 3.15Å; S392-T394 VanDerWaalsContact C-N 3.35Å; T394-Y398 HydrophobicContact CG2-CD1 3.76Å; T394-Y398 HydrophobicContact CG2-CG 4.22Å; T394-R401 PolarHBondContact O-NH1 3.35Å; T394-L405 HydrophobicContact CG2-CD2 4.3Å; T394-L405 WeakPolarHBondContact OG1-CB 3.42Å; T394-V406 HydrophobicContact CG2-CB 4.36Å; T394-V406 HydrophobicContact CG2-CG1 4.19Å; T394-V406 PolarHBondContact OG1-N 3.34Å |
| 395 | P | 97.2 | Very high | 96.7 | Very high | 56 Ų | 56 | 64.1 Ų | 64.1 | 36% | 0.364 | 34% | 0.337 | S | S | . | . | trans | -60.1 | 146.1 | -179.3 | -24.2 | 35.1 | 0 | 0 | 0 | 113 | L393 D397 Y398 R401 | L393-P395 WeakPolarHBondContact O-CD 3.23Å; P395-D397 WeakPolarHBondContact CB-OD1 3.27Å; P395-D397 PolarHBondContact O-N 3.45Å; P395-Y398 WeakPolarHBondContact O-CB 3.35Å; P395-Y398 PolarHBondContact O-N 2.93Å; P395-R401 VanDerWaalsContact C-NH1 3.26Å; P395-R401 PolarHBondContact O-NH1 2.92Å | ||
| 396 | P | 95.1 | Very high | 96.8 | Very high | 114 Ų | 114 | 61 Ų | 61 | 74% | 0.74 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -27.1 | -179.2 | 27.9 | -34.8 | 0 | 0 | 0 | 112.9 | Y398 | P396-Y398 VanDerWaalsContact C-N 3.35Š|
| 397 | D | 96.3 | Very high | 96.8 | Very high | 136 Ų | 136 | 60.6 Ų | 60.6 | 73% | 0.727 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | 6.1 | 178 | 60.6 | -40.7 | 0 | 0 | 0 | 114 | P395 S399 | P395-D397 WeakPolarHBondContact CB-OD1 3.27Å; P395-D397 PolarHBondContact O-N 3.45Å; D397-S399 PolarHBondContact O-N 3.36Å |
| 398 | Y | 97.1 | Very high | 96.8 | Very high | 39 Ų | 39 | 61.3 Ų | 61.3 | 15% | 0.153 | 33% | 0.326 | C | S | . | . | trans | -61.5 | 120.7 | 178.7 | 176.4 | -126.5 | 0 | 0 | 0 | 112.3 | A309 P310 T394 P395 P396 L400 R401 V406 | A309-Y398 WeakPolarHBondContact CA-OH 3.4Å; A309-Y398 HydrophobicContact CB-CE1 3.89Å; P310-Y398 WeakPolarHBondContact CD-OH 3.41Å; T394-Y398 HydrophobicContact CG2-CD1 3.76Å; T394-Y398 HydrophobicContact CG2-CG 4.22Å; P395-Y398 WeakPolarHBondContact O-CB 3.35Å; P395-Y398 PolarHBondContact O-N 2.93Å; P396-Y398 VanDerWaalsContact C-N 3.35Å; Y398-L400 VanDerWaalsContact C-N 3.31Å; Y398-L400 HydrophobicContact CE1-CB 3.87Å; Y398-L400 HydrophobicContact CE2-CB 4.37Å; Y398-L400 PolarHBondContact O-N 3.02Å; Y398-R401 HydrophobicContact CD1-CB 3.96Å; Y398-R401 WeakPolarHBondContact O-CB 3.39Å; Y398-R401 PolarHBondContact O-N 3.11Å; Y398-R401 VanDerWaalsContact O-N 3.09Å; Y398-V406 HydrophobicContact CD1-CB 4.25Å; Y398-V406 HydrophobicContact CD2-CB 4.16Å; Y398-V406 HydrophobicContact CD2-CG2 4.09Å; Y398-V406 HydrophobicContact CE1-CB 4.02Å; Y398-V406 HydrophobicContact CE2-CB 3.94Å; Y398-V406 HydrophobicContact CE2-CG2 3.67Å; Y398-V406 HydrophobicContact CG-CB 4.32Å | ||
| 399 | S | 97.1 | Very high | 96.8 | Very high | 98 Ų | 98 | 56.1 Ų | 56.1 | 69% | 0.685 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -30.2 | -170.9 | 55.9 | 0 | 0 | 0 | 0 | 115.1 | D397 | D397-S399 PolarHBondContact O-N 3.36Š|
| 400 | L | 97 | Very high | 96.7 | Very high | 46 Ų | 46 | 52.5 Ų | 52.5 | 24% | 0.241 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 14.3 | 179.3 | -52 | 179.6 | 0 | 0 | 0 | 113.2 | A309 Y398 W402 S403 G404 | A309-L400 HydrophobicContact CB-CB 4.05Å; Y398-L400 VanDerWaalsContact C-N 3.31Å; Y398-L400 HydrophobicContact CE1-CB 3.87Å; Y398-L400 HydrophobicContact CE2-CB 4.37Å; Y398-L400 PolarHBondContact O-N 3.02Å; L400-W402 PolarHBondContact O-N 3.47Å; L400-S403 PolarHBondContact O-N 3.19Å; L400-S403 PolarHBondContact O-OG 3.38Å; L400-G404 PolarHBondContact O-N 3.02Å |
| 401 | R | 95.7 | Very high | 96.7 | Very high | 106 Ų | 106 | 53.9 Ų | 53.9 | 40% | 0.4 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -20.7 | 179.4 | -167.4 | 175 | -174.3 | 105.5 | 5.4 | 113.9 | T394 P395 Y398 S403 G404 | T394-R401 PolarHBondContact O-NH1 3.35Å; P395-R401 VanDerWaalsContact C-NH1 3.26Å; P395-R401 PolarHBondContact O-NH1 2.92Å; Y398-R401 HydrophobicContact CD1-CB 3.96Å; Y398-R401 WeakPolarHBondContact O-CB 3.39Å; Y398-R401 PolarHBondContact O-N 3.11Å; Y398-R401 VanDerWaalsContact O-N 3.09Å; R401-S403 PolarHBondContact O-N 3.31Å; R401-G404 WeakPolarHBondContact CA-O 3.25Å |
| 402 | W | 94.8 | Very high | 96.7 | Very high | 147 Ų | 147 | 50.5 Ų | 50.5 | 56% | 0.557 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -19.8 | 170.8 | 67.8 | -93 | 0 | 0 | 0 | 113.7 | I308 K320 L400 | I308-W402 HydrophobicContact CD1-CH2 3.37Å; I308-W402 HydrophobicContact CD1-CZ2 4.05Å; I308-W402 HydrophobicContact CD1-CZ3 4.1Å; K320-W402 HydrophobicContact CD-CH2 4.01Å; K320-W402 HydrophobicContact CD-CZ3 4.11Å; K320-W402 VanDerWaalsContact NZ-CH2 3.25Å; L400-W402 PolarHBondContact O-N 3.47Å |
| 403 | S | 97.3 | Very high | 96.6 | Very high | 4 Ų | 4 | 46.1 Ų | 46.1 | 3% | 0.028 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.5 | -15.2 | -175.5 | 71.2 | 0 | 0 | 0 | 0 | 114.1 | A309 P312 V313 A317 L400 R401 | A309-S403 WeakPolarHBondContact CB-OG 3.35Å; A309-S403 PolarHBondContact N-OG 3.39Å; P312-S403 WeakPolarHBondContact CA-O 3.25Å; V313-S403 PolarHBondContact N-O 2.8Å; A317-S403 WeakPolarHBondContact CB-O 3.38Å; L400-S403 PolarHBondContact O-N 3.19Å; L400-S403 PolarHBondContact O-OG 3.38Å; R401-S403 PolarHBondContact O-N 3.31Å |
| 404 | G | 97.6 | Very high | 96.4 | Very high | 4 Ų | 4 | 46.6 Ų | 46.6 | 4% | 0.041 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 158.3 | -149.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q311 L400 R401 | Q311-G404 CarbonylContact O-C 3.55Å; Q311-G404 WeakPolarHBondContact O-CA 3.46Å; L400-G404 PolarHBondContact O-N 3.02Å; R401-G404 WeakPolarHBondContact CA-O 3.25Å |
| 405 | L | 98 | Very high | 96.2 | Very high | 6 Ų | 6 | 54 Ų | 54 | 3% | 0.031 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 151.6 | -169.3 | -50.6 | 180 | 0 | 0 | 0 | 111.6 | Q311 V313 I348 A390 H391 T394 | Q311-L405 HydrophobicContact CB-CB 4.14Å; Q311-L405 HydrophobicContact CG-CB 4.47Å; Q311-L405 PolarHBondContact N-O 3.45Å; Q311-L405 VanDerWaalsContact N-O 3.11Å; Q311-L405 PolarHBondContact O-N 3.34Å; V313-L405 HydrophobicContact CG2-CD1 4.34Å; V313-L405 HydrophobicContact CG2-CG 3.85Å; I348-L405 HydrophobicContact CD1-CD1 4.28Å; A390-L405 HydrophobicContact CB-CD1 3.47Å; A390-L405 VanDerWaalsContact CB-CD1 3.47Å; H391-L405 WeakPolarHBondContact ND1-CD2 3.34Å; T394-L405 HydrophobicContact CG2-CD2 4.3Å; T394-L405 WeakPolarHBondContact OG1-CB 3.42Å |
| 406 | V | 97.6 | Very high | 95.9 | Very high | 51 Ų | 51 | 53.9 Ų | 53.9 | 31% | 0.309 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -79.7 | -28.3 | -178.8 | 75.7 | 0 | 0 | 0 | 0 | 112.3 | T394 Y398 | T394-V406 HydrophobicContact CG2-CB 4.36Å; T394-V406 HydrophobicContact CG2-CG1 4.19Å; T394-V406 PolarHBondContact OG1-N 3.34Å; Y398-V406 HydrophobicContact CD1-CB 4.25Å; Y398-V406 HydrophobicContact CD2-CB 4.16Å; Y398-V406 HydrophobicContact CD2-CG2 4.09Å; Y398-V406 HydrophobicContact CE1-CB 4.02Å; Y398-V406 HydrophobicContact CE2-CB 3.94Å; Y398-V406 HydrophobicContact CE2-CG2 3.67Å; Y398-V406 HydrophobicContact CG-CB 4.32Å |
| 407 | V | 97 | Very high | 95.5 | Very high | 18 Ų | 18 | 52 Ų | 52 | 11% | 0.109 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -102.6 | 135 | 177.4 | -177.3 | 0 | 0 | 0 | 0 | 109.2 | Q311 L393 E411 I412 | Q311-V407 WeakPolarHBondContact CB-O 3.19Å; L393-V407 HydrophobicContact CB-CB 4.44Å; L393-V407 HydrophobicContact CB-CG2 3.73Å; L393-V407 HydrophobicContact CD1-CG1 4.24Å; L393-V407 HydrophobicContact CD1-CG2 4.29Å; V407-E411 WeakPolarHBondContact CA-OE2 3.48Å; V407-E411 HydrophobicContact CG1-CB 4.18Å; V407-E411 WeakPolarHBondContact CG1-OE2 3.32Å; V407-I412 HydrophobicContact CG1-CD1 3.94Å; V407-I412 HydrophobicContact CG1-CG1 3.77Å |
| 408 | T | 96.9 | Very high | 95.1 | Very high | 17 Ų | 17 | 50.7 Ų | 50.7 | 10% | 0.104 | 26% | 0.255 | C | S | . | . | trans | -90.4 | 152.5 | 178.8 | 90.9 | 0 | 0 | 0 | 0 | 112.7 | P310 Q311 G410 E411 I412 | P310-T408 HydrophobicContact CB-CG2 4.04Å; P310-T408 WeakPolarHBondContact O-CG2 3.41Å; Q311-T408 HydrophobicContact CB-CG2 4.19Å; T408-G410 PolarHBondContact O-N 2.77Å; T408-E411 PolarHBondContact N-OE2 2.87Å; T408-E411 WeakPolarHBondContact O-CB 3.44Å; T408-E411 PolarHBondContact O-N 3.16Å; T408-E411 PolarHBondContact OG1-N 3.47Å; T408-I412 PolarHBondContact O-N 3.02Å | ||
| 409 | V | 95.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.5 | -32.6 | 179.6 | -179.2 | 0 | 0 | 0 | 0 | 111 | I348 L382 H386 I387 E411 I412 L413 | I348-V409 HydrophobicContact CD1-CG2 4.28Å; I348-V409 HydrophobicContact CG2-CG2 4.11Å; L382-V409 HydrophobicContact CD1-CB 4.43Å; L382-V409 HydrophobicContact CD1-CG1 4.05Å; L382-V409 HydrophobicContact CD1-CG2 4.18Å; L382-V409 HydrophobicContact CD2-CG1 3.71Å; L382-V409 HydrophobicContact CG-CG1 4.48Å; H386-V409 HydrophobicContact CB-CG1 4.27Å; I387-V409 HydrophobicContact CD1-CG2 3.75Å; V409-E411 PolarHBondContact O-N 3.4Å; V409-I412 PolarHBondContact O-N 3.45Å; V409-I412 VanDerWaalsContact O-N 3.1Å; V409-L413 HydrophobicContact CG1-CD1 3.95Å; V409-L413 HydrophobicContact CG1-CG 4.3Å; V409-L413 WeakPolarHBondContact O-CB 3.33Å; V409-L413 WeakPolarHBondContact O-CG 3.38Å; V409-L413 PolarHBondContact O-N 2.79Å |
| 410 | G | 95.4 | Very high | 94.4 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.2 | -38.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | T408 I412 E414 | T408-G410 PolarHBondContact O-N 2.77Å; G410-I412 VanDerWaalsContact C-N 3.25Å; G410-I412 PolarHBondContact O-N 3.06Å; G410-E414 VanDerWaalsContact O-CB 3.31Å; G410-E414 WeakPolarHBondContact O-CB 3.3Å; G410-E414 PolarHBondContact O-N 2.74Å |
| 411 | E | 96.3 | Very high | 94.1 | Very high | 30 Ų | 30 | 53.4 Ų | 53.4 | 14% | 0.14 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -69.7 | -23 | 173.8 | -63.5 | 177.5 | 137.7 | 0 | 0 | 113 | V407 T408 V409 R415 R422 | V407-E411 WeakPolarHBondContact CA-OE2 3.48Å; V407-E411 HydrophobicContact CG1-CB 4.18Å; V407-E411 WeakPolarHBondContact CG1-OE2 3.32Å; T408-E411 PolarHBondContact N-OE2 2.87Å; T408-E411 WeakPolarHBondContact O-CB 3.44Å; T408-E411 PolarHBondContact O-N 3.16Å; T408-E411 PolarHBondContact OG1-N 3.47Å; V409-E411 PolarHBondContact O-N 3.4Å; E411-R415 VanDerWaalsContact O-CG 3.29Å; E411-R415 WeakPolarHBondContact O-CG 3.48Å; E411-R415 PolarHBondContact O-NH1 2.95Å; E411-R422 VanDerWaalsContact CD-CZ 3.41Å; E411-R422 HydrophobicContact CG-CG 4.32Å; E411-R422 IonicContact OE1-CZ 3.47Å; E411-R422 IonicContact OE1-NH1 2.67Å; E411-R422 PolarHBondContact OE1-NH1 2.9Å; E411-R422 IonicContact OE1-NH2 3.94Å; E411-R422 PolarHBondContact OE1-NH2 3.43Å; E411-R422 IonicContact OE2-NH2 3.9Å |
| 412 | I | 96.4 | Very high | 93.8 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -82.2 | -47.2 | 178.1 | -69.9 | 168.3 | 0 | 0 | 0 | 109.7 | H386 Q389 A390 V407 T408 V409 G410 E414 R415 S416 | H386-I412 HydrophobicContact CB-CG2 3.97Å; H386-I412 WeakPolarHBondContact O-CD1 3.35Å; Q389-I412 HydrophobicContact CB-CD1 4.31Å; Q389-I412 HydrophobicContact CB-CG2 4.33Å; Q389-I412 HydrophobicContact CG-CD1 4.41Å; Q389-I412 HydrophobicContact CG-CG2 4.29Å; Q389-I412 VanDerWaalsContact OE1-CG2 3.26Å; A390-I412 VanDerWaalsContact CA-CD1 3.46Å; A390-I412 HydrophobicContact CB-CD1 3.43Å; A390-I412 VanDerWaalsContact CB-CD1 3.43Å; V407-I412 HydrophobicContact CG1-CD1 3.94Å; V407-I412 HydrophobicContact CG1-CG1 3.77Å; T408-I412 PolarHBondContact O-N 3.02Å; V409-I412 PolarHBondContact O-N 3.45Å; V409-I412 VanDerWaalsContact O-N 3.1Å; G410-I412 VanDerWaalsContact C-N 3.25Å; G410-I412 PolarHBondContact O-N 3.06Å; I412-E414 VanDerWaalsContact C-N 3.33Å; I412-E414 PolarHBondContact O-N 3.45Å; I412-R415 CarbonylContact O-C 3.54Å; I412-R415 PolarHBondContact O-N 3.33Å; I412-S416 WeakPolarHBondContact O-CB 3.33Å; I412-S416 PolarHBondContact O-N 3.11Å; I412-S416 PolarHBondContact O-OG 3.27Å |
| 413 | L | 94.6 | Very high | 93.5 | Very high | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.021 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.9 | -42.3 | 175.3 | -73.9 | 165.4 | 0 | 0 | 0 | 112.4 | H386 V409 R415 S416 L417 I420 W425 | H386-L413 WeakPolarHBondContact CE1-CD2 3.27Å; V409-L413 HydrophobicContact CG1-CD1 3.95Å; V409-L413 HydrophobicContact CG1-CG 4.3Å; V409-L413 WeakPolarHBondContact O-CB 3.33Å; V409-L413 WeakPolarHBondContact O-CG 3.38Å; V409-L413 PolarHBondContact O-N 2.79Å; L413-R415 PolarHBondContact O-N 3.42Å; L413-S416 WeakPolarHBondContact CA-OG 3.47Å; L413-S416 PolarHBondContact O-N 3.49Å; L413-S416 PolarHBondContact O-OG 2.84Å; L413-L417 HydrophobicContact CD2-CD1 3.87Å; L413-L417 PolarHBondContact O-N 3.1Å; L413-I420 HydrophobicContact CB-CG2 4.28Å; L413-W425 HydrophobicContact CD1-CB 3.98Å; L413-W425 HydrophobicContact CD1-CD2 3.37Å; L413-W425 HydrophobicContact CD1-CE3 3.42Å; L413-W425 VanDerWaalsContact CD1-CE3 3.42Å; L413-W425 HydrophobicContact CD1-CG 3.63Å; L413-W425 HydrophobicContact CD1-CZ3 4.1Å |
| 414 | E | 94.8 | Very high | 93.2 | Very high | 94 Ų | 94 | 51.6 Ų | 51.6 | 44% | 0.439 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.2 | -27.9 | 175.4 | -179 | 171.8 | -98.2 | 0 | 0 | 113 | G410 I412 R422 | G410-E414 VanDerWaalsContact O-CB 3.31Å; G410-E414 WeakPolarHBondContact O-CB 3.3Å; G410-E414 PolarHBondContact O-N 2.74Å; I412-E414 VanDerWaalsContact C-N 3.33Å; I412-E414 PolarHBondContact O-N 3.45Å; E414-R422 HydrophobicContact CB-CB 4.32Å; E414-R422 WeakPolarHBondContact OE1-CB 3.08Å; E414-R422 PolarHBondContact OE1-N 3.49Å |
| 415 | R | 93.1 | Very high | 93 | Very high | 163 Ų | 163 | 51.9 Ų | 51.9 | 62% | 0.615 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -89.2 | -28.5 | 176 | -67.8 | -179.8 | -164.9 | 109.7 | -7 | 113.4 | E411 I412 L413 | E411-R415 VanDerWaalsContact O-CG 3.29Å; E411-R415 WeakPolarHBondContact O-CG 3.48Å; E411-R415 PolarHBondContact O-NH1 2.95Å; I412-R415 CarbonylContact O-C 3.54Å; I412-R415 PolarHBondContact O-N 3.33Å; L413-R415 PolarHBondContact O-N 3.42Å |
| 416 | S | 90 | Very high | 92.9 | Very high | 52 Ų | 52 | 51.7 Ų | 51.7 | 36% | 0.364 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -90.9 | -26.2 | -176.2 | 65.2 | 0 | 0 | 0 | 0 | 113.7 | H386 I412 L413 | H386-S416 PolarHBondContact NE2-OG 3.29Å; H386-S416 VanDerWaalsContact NE2-OG 3.14Å; I412-S416 WeakPolarHBondContact O-CB 3.33Å; I412-S416 PolarHBondContact O-N 3.11Å; I412-S416 PolarHBondContact O-OG 3.27Å; L413-S416 WeakPolarHBondContact CA-OG 3.47Å; L413-S416 PolarHBondContact O-N 3.49Å; L413-S416 PolarHBondContact O-OG 2.84Å |
| 417 | L | 87.7 | Confident | 92.7 | Very high | 74 Ų | 74 | 55.2 Ų | 55.2 | 39% | 0.387 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -128.4 | 132.6 | -171.8 | -64.1 | 173.7 | 0 | 0 | 0 | 112.5 | L413 I420 | L413-L417 HydrophobicContact CD2-CD1 3.87Å; L413-L417 PolarHBondContact O-N 3.1Å; L417-I420 HydrophobicContact CB-CD1 3.53Å; L417-I420 HydrophobicContact CB-CG1 3.87Å; L417-I420 HydrophobicContact CD1-CD1 3.53Å; L417-I420 HydrophobicContact CG-CD1 4.17Å |
| 418 | P | 87.8 | Confident | 92.4 | Very high | 110 Ų | 110 | 57.8 Ų | 57.8 | 71% | 0.714 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | 144.7 | -179.3 | 29.7 | -35.1 | 0 | 0 | 0 | 111.8 | I420 | P418-I420 PolarHBondContact O-N 3.37Š|
| 419 | N | 87.5 | Confident | 92 | Very high | 166 Ų | 166 | 60.1 Ų | 60.1 | 89% | 0.888 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | 21 | 177.3 | -46.9 | -55.8 | 0 | 0 | 0 | 115.4 | ||
| 420 | I | 91.1 | Very high | 91.8 | Very high | 20 Ų | 20 | 62.9 Ų | 62.9 | 10% | 0.103 | 33% | 0.333 | C | S | . | . | trans | -94.9 | 131 | 170.1 | -59.3 | -159.6 | 0 | 0 | 0 | 109.8 | L413 L417 P418 W425 | L413-I420 HydrophobicContact CB-CG2 4.28Å; L417-I420 HydrophobicContact CB-CD1 3.53Å; L417-I420 HydrophobicContact CB-CG1 3.87Å; L417-I420 HydrophobicContact CD1-CD1 3.53Å; L417-I420 HydrophobicContact CG-CD1 4.17Å; P418-I420 PolarHBondContact O-N 3.37Å; I420-W425 HydrophobicContact CG2-CB 3.49Å; I420-W425 VanDerWaalsContact CG2-CB 3.49Å | ||
| 421 | S | 90.4 | Very high | 91.7 | Very high | 53 Ų | 53 | 65.7 Ų | 65.7 | 37% | 0.371 | 36% | 0.362 | S | S | . | . | trans | -87.1 | 134.1 | 169.2 | 172.8 | 0 | 0 | 0 | 0 | 110.2 | T423 D424 W425 | S421-T423 PolarHBondContact O-N 3.46Å; S421-T423 VanDerWaalsContact O-N 3.08Å; S421-T423 PolarHBondContact OG-N 2.76Å; S421-T423 PolarHBondContact OG-OG1 3.47Å; S421-D424 PolarHBondContact O-N 2.99Å; S421-W425 WeakPolarHBondContact O-CB 3.47Å; S421-W425 PolarHBondContact O-N 3.26Å; S421-W425 VanDerWaalsContact O-N 3.13Å | ||
| 422 | R | 90.6 | Very high | 91.6 | Very high | 98 Ų | 98 | 67.4 Ų | 67.4 | 37% | 0.37 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.1 | -32.5 | 170.2 | 170.1 | -174.6 | 178.8 | 152.6 | 15.3 | 113.9 | E411 E414 | E411-R422 VanDerWaalsContact CD-CZ 3.41Å; E411-R422 HydrophobicContact CG-CG 4.32Å; E411-R422 IonicContact OE1-CZ 3.47Å; E411-R422 IonicContact OE1-NH1 2.67Å; E411-R422 PolarHBondContact OE1-NH1 2.9Å; E411-R422 IonicContact OE1-NH2 3.94Å; E411-R422 PolarHBondContact OE1-NH2 3.43Å; E411-R422 IonicContact OE2-NH2 3.9Å; E414-R422 HydrophobicContact CB-CB 4.32Å; E414-R422 WeakPolarHBondContact OE1-CB 3.08Å; E414-R422 PolarHBondContact OE1-N 3.49Å |
| 423 | T | 87.8 | Confident | 91.5 | Very high | 84 Ų | 84 | 68.9 Ų | 68.9 | 52% | 0.515 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -16.1 | -171.2 | 54 | 0 | 0 | 0 | 0 | 114.8 | M281 S421 Q434 | M281-T423 WeakPolarHBondContact CE-O 3.39Å; S421-T423 PolarHBondContact O-N 3.46Å; S421-T423 VanDerWaalsContact O-N 3.08Å; S421-T423 PolarHBondContact OG-N 2.76Å; S421-T423 PolarHBondContact OG-OG1 3.47Å; T423-Q434 PolarHBondContact O-OE1 3.18Å |
| 424 | D | 90.8 | Very high | 91.6 | Very high | 37 Ų | 37 | 69.8 Ų | 69.8 | 20% | 0.198 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -139.9 | 39.8 | 178.6 | -167.2 | 28.3 | 0 | 0 | 0 | 111.2 | S421 H426 K427 S433 Q434 | S421-D424 PolarHBondContact O-N 2.99Å; D424-H426 PolarHBondContact O-N 3.24Å; D424-K427 WeakPolarHBondContact O-CB 3.45Å; D424-K427 PolarHBondContact O-N 3.21Å; D424-K427 WeakPolarHBondContact OD2-CD 3.26Å; D424-S433 WeakPolarHBondContact OD1-CA 3.23Å; D424-S433 WeakPolarHBondContact OD1-CB 3.46Å; D424-S433 WeakPolarHBondContact OD2-CB 3.19Å; D424-Q434 PolarHBondContact OD1-N 3.37Å |
| 425 | W | 94.1 | Very high | 91.6 | Very high | 10 Ų | 10 | 67.1 Ų | 67.1 | 4% | 0.038 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -63.4 | -27.2 | -179.6 | 65.1 | -98.7 | 0 | 0 | 0 | 112.3 | D358 T380 L382 L413 I420 S421 K427 S428 V429 | D358-W425 HydrophobicContact CB-CH2 3.8Å; D358-W425 HydrophobicContact CB-CZ2 3.76Å; T380-W425 HydrophobicContact CG2-CH2 3.56Å; T380-W425 HydrophobicContact CG2-CZ3 3.55Å; L382-W425 HydrophobicContact CD2-CH2 3.36Å; L382-W425 HydrophobicContact CD2-CZ2 4.05Å; L382-W425 HydrophobicContact CD2-CZ3 3.74Å; L382-W425 HydrophobicContact CG-CH2 4.31Å; L413-W425 HydrophobicContact CD1-CB 3.98Å; L413-W425 HydrophobicContact CD1-CD2 3.37Å; L413-W425 HydrophobicContact CD1-CE3 3.42Å; L413-W425 VanDerWaalsContact CD1-CE3 3.42Å; L413-W425 HydrophobicContact CD1-CG 3.63Å; L413-W425 HydrophobicContact CD1-CZ3 4.1Å; I420-W425 HydrophobicContact CG2-CB 3.49Å; I420-W425 VanDerWaalsContact CG2-CB 3.49Å; S421-W425 WeakPolarHBondContact O-CB 3.47Å; S421-W425 PolarHBondContact O-N 3.26Å; S421-W425 VanDerWaalsContact O-N 3.13Å; W425-K427 PolarHBondContact O-N 3.18Å; W425-S428 PolarHBondContact O-N 2.85Å; W425-V429 HydrophobicContact CE3-CB 4.19Å; W425-V429 HydrophobicContact CE3-CG2 3.78Å; W425-V429 HydrophobicContact CZ3-CB 4.27Å; W425-V429 HydrophobicContact CZ3-CG1 4.44Å; W425-V429 HydrophobicContact CZ3-CG2 4.17Å; W425-V429 PolarHBondContact O-N 3.15Å; W425-V429 VanDerWaalsContact O-N 3.11Å |
| 426 | H | 94.9 | Very high | 91.8 | Very high | 2 Ų | 2 | 63.1 Ų | 63.1 | 1% | 0.009 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -49.9 | -39.1 | 173.2 | -60.5 | 72 | 0 | 0 | 0 | 112 | D358 T380 D424 S428 V429 T430 L432 Q434 I437 | D358-H426 IonicContact OD2-CD2 3.99Å; D358-H426 IonicContact OD2-CE1 3.88Å; D358-H426 PolarHBondContact OD2-CE1 3.15Å; D358-H426 IonicContact OD2-NE2 2.71Å; D358-H426 PolarHBondContact OD2-NE2 2.82Å; T380-H426 PolarHBondContact OG1-CD2 2.63Å; D424-H426 PolarHBondContact O-N 3.24Å; H426-S428 PolarHBondContact O-N 2.82Å; H426-V429 PolarHBondContact O-N 3.39Å; H426-T430 WeakPolarHBondContact O-CB 3.22Å; H426-T430 PolarHBondContact O-N 3.43Å; H426-T430 PolarHBondContact O-OG1 2.67Å; H426-L432 CarbonylContact C-O 3.51Å; H426-L432 WeakPolarHBondContact CB-O 3.2Å; H426-Q434 HydrophobicContact CB-CB 4.48Å; H426-Q434 PolarHBondContact CE1-NE2 3.03Å; H426-I437 HydrophobicContact CB-CD1 3.9Å |
| 427 | K | 93.9 | Very high | 92.2 | Very high | 125 Ų | 125 | 61.2 Ų | 61.2 | 54% | 0.543 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.8 | -39.6 | 179.9 | -169.3 | 176.3 | -179.3 | 177.2 | 0 | 112.4 | D424 W425 G431 L432 | D424-K427 WeakPolarHBondContact O-CB 3.45Å; D424-K427 PolarHBondContact O-N 3.21Å; D424-K427 WeakPolarHBondContact OD2-CD 3.26Å; W425-K427 PolarHBondContact O-N 3.18Å; K427-G431 WeakPolarHBondContact O-CA 3.29Å; K427-G431 PolarHBondContact O-N 2.88Å; K427-L432 VanDerWaalsContact CA-O 3.22Å; K427-L432 WeakPolarHBondContact CA-O 3.35Å; K427-L432 PolarHBondContact N-O 2.89Å |
| 428 | S | 90.9 | Very high | 92.7 | Very high | 72 Ų | 72 | 57.8 Ų | 57.8 | 50% | 0.503 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -74.2 | -28.4 | 177.8 | -60.4 | 0 | 0 | 0 | 0 | 112.8 | W425 H426 | W425-S428 PolarHBondContact O-N 2.85Å; H426-S428 PolarHBondContact O-N 2.82Å |
| 429 | V | 87.9 | Confident | 93.2 | Very high | 67 Ų | 67 | 54.1 Ų | 54.1 | 41% | 0.406 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -90.2 | -36.4 | -178 | 175.2 | 0 | 0 | 0 | 0 | 112.9 | W425 H426 | W425-V429 HydrophobicContact CE3-CB 4.19Å; W425-V429 HydrophobicContact CE3-CG2 3.78Å; W425-V429 HydrophobicContact CZ3-CB 4.27Å; W425-V429 HydrophobicContact CZ3-CG1 4.44Å; W425-V429 HydrophobicContact CZ3-CG2 4.17Å; W425-V429 PolarHBondContact O-N 3.15Å; W425-V429 VanDerWaalsContact O-N 3.11Å; H426-V429 PolarHBondContact O-N 3.39Å |
| 430 | T | 91.8 | Very high | 93.7 | Very high | 58 Ų | 58 | 49.4 Ų | 49.4 | 36% | 0.356 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -120.1 | -14.6 | -171.5 | 71.1 | 0 | 0 | 0 | 0 | 114.5 | T380 H426 L432 | T380-T430 HydrophobicContact CG2-CG2 3.65Å; H426-T430 WeakPolarHBondContact O-CB 3.22Å; H426-T430 PolarHBondContact O-N 3.43Å; H426-T430 PolarHBondContact O-OG1 2.67Å; T430-L432 PolarHBondContact O-N 3.41Å; T430-L432 PolarHBondContact OG1-N 3.06Å; T430-L432 VanDerWaalsContact OG1-N 3.09Å; T430-L432 PolarHBondContact OG1-O 2.86Å |
| 431 | G | 93.1 | Very high | 94.1 | Very high | 59 Ų | 59 | 48.7 Ų | 48.7 | 61% | 0.608 | 28% | 0.279 | S | S | * | . | S | Bend | trans | 81.8 | -14 | -168.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | K427 | K427-G431 WeakPolarHBondContact O-CA 3.29Å; K427-G431 PolarHBondContact O-N 2.88Å |
| 432 | L | 94.3 | Very high | 94.5 | Very high | 66 Ų | 66 | 46.2 Ų | 46.2 | 35% | 0.346 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -97.3 | 132 | 176.1 | -57.9 | -177.9 | 0 | 0 | 0 | 110.6 | H426 K427 T430 I437 | H426-L432 CarbonylContact C-O 3.51Å; H426-L432 WeakPolarHBondContact CB-O 3.2Å; K427-L432 VanDerWaalsContact CA-O 3.22Å; K427-L432 WeakPolarHBondContact CA-O 3.35Å; K427-L432 PolarHBondContact N-O 2.89Å; T430-L432 PolarHBondContact O-N 3.41Å; T430-L432 PolarHBondContact OG1-N 3.06Å; T430-L432 VanDerWaalsContact OG1-N 3.09Å; T430-L432 PolarHBondContact OG1-O 2.86Å; L432-I437 HydrophobicContact CB-CD1 4.23Å; L432-I437 HydrophobicContact CB-CG1 4.11Å |
| 433 | S | 95.3 | Very high | 94.8 | Very high | 33 Ų | 33 | 45.4 Ų | 45.4 | 23% | 0.231 | 26% | 0.261 | C | S | . | . | trans | -72.2 | 151.7 | 172.8 | 59 | 0 | 0 | 0 | 0 | 111.7 | D424 H435 H436 I437 | D424-S433 WeakPolarHBondContact OD1-CA 3.23Å; D424-S433 WeakPolarHBondContact OD1-CB 3.46Å; D424-S433 WeakPolarHBondContact OD2-CB 3.19Å; S433-H435 PolarHBondContact O-N 3.42Å; S433-H436 PolarHBondContact O-N 3.34Å; S433-H436 PolarHBondContact OG-N 3.08Å; S433-I437 PolarHBondContact O-N 3.26Å; S433-I437 VanDerWaalsContact O-N 3.1Å | ||
| 434 | Q | 95 | Very high | 95.3 | Very high | 22 Ų | 22 | 45.1 Ų | 45.1 | 10% | 0.103 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -55.9 | -37.8 | 173.9 | 174.3 | 159.5 | 84.5 | 0 | 0 | 111.3 | M281 N346 T423 D424 H426 H436 I437 I438 | M281-Q434 HydrophobicContact CE-CB 4.3Å; M281-Q434 HydrophobicContact CE-CG 3.94Å; M281-Q434 HydrophobicContact SD-CB 3.89Å; M281-Q434 HydrophobicContact SD-CG 4.02Å; N346-Q434 PolarHBondContact ND2-NE2 3.3Å; T423-Q434 PolarHBondContact O-OE1 3.18Å; D424-Q434 PolarHBondContact OD1-N 3.37Å; H426-Q434 HydrophobicContact CB-CB 4.48Å; H426-Q434 PolarHBondContact CE1-NE2 3.03Å; Q434-H436 VanDerWaalsContact C-N 3.34Å; Q434-H436 PolarHBondContact O-N 3.03Å; Q434-I437 PolarHBondContact O-N 3.37Å; Q434-I438 HydrophobicContact CG-CD1 3.62Å; Q434-I438 HydrophobicContact CG-CG1 4.27Å; Q434-I438 WeakPolarHBondContact O-CD1 3.32Å; Q434-I438 VanDerWaalsContact O-CG1 3.27Å; Q434-I438 WeakPolarHBondContact O-CG1 3.5Å; Q434-I438 PolarHBondContact O-N 2.85Å |
| 435 | H | 96.8 | Very high | 95.7 | Very high | 39 Ų | 39 | 43.4 Ų | 43.4 | 18% | 0.181 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -51.3 | -49.9 | 171.3 | -176.4 | -82.4 | 0 | 0 | 0 | 112.5 | M281 A285 E288 S433 I438 Q439 | M281-H435 HydrophobicContact CG-CB 3.92Å; M281-H435 PolarHBondContact O-CD2 3.1Å; M281-H435 VanDerWaalsContact O-CD2 3.27Å; M281-H435 HydrophobicContact SD-CB 4.4Å; A285-H435 WeakPolarHBondContact CB-O 3.13Å; A285-H435 PolarHBondContact N-NE2 3.42Å; E288-H435 IonicContact OE1-CE1 2.82Å; E288-H435 IonicContact OE2-CE1 3.02Å; E288-H435 PolarHBondContact OE2-CE1 3.13Å; S433-H435 PolarHBondContact O-N 3.42Å; H435-I438 PolarHBondContact O-N 3.27Å; H435-Q439 VanDerWaalsContact O-CB 3.26Å; H435-Q439 WeakPolarHBondContact O-CB 3.5Å; H435-Q439 PolarHBondContact O-N 3.24Å |
| 436 | H | 97.1 | Very high | 95.9 | Very high | 78 Ų | 78 | 42.9 Ų | 42.9 | 36% | 0.361 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -69.5 | -38.5 | -177.2 | -171 | 63.5 | 0 | 0 | 0 | 112 | S433 Q434 I438 Q439 C440 | S433-H436 PolarHBondContact O-N 3.34Å; S433-H436 PolarHBondContact OG-N 3.08Å; Q434-H436 VanDerWaalsContact C-N 3.34Å; Q434-H436 PolarHBondContact O-N 3.03Å; H436-I438 PolarHBondContact O-N 3.34Å; H436-Q439 PolarHBondContact ND1-OE1 3.18Å; H436-Q439 PolarHBondContact O-N 3.11Å; H436-C440 PolarHBondContact O-N 3.06Å; H436-C440 PolarHBondContact O-SG 2.73Å; H436-C440 VanDerWaalsContact O-SG 3.39Å |
| 437 | I | 97.7 | Very high | 96 | Very high | 12 Ų | 12 | 44 Ų | 44 | 6% | 0.062 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.7 | -44.8 | 175.5 | -66 | 169.5 | 0 | 0 | 0 | 110.8 | T377 H426 L432 S433 Q434 A441 | T377-I437 HydrophobicContact CG2-CG2 4.01Å; H426-I437 HydrophobicContact CB-CD1 3.9Å; L432-I437 HydrophobicContact CB-CD1 4.23Å; L432-I437 HydrophobicContact CB-CG1 4.11Å; S433-I437 PolarHBondContact O-N 3.26Å; S433-I437 VanDerWaalsContact O-N 3.1Å; Q434-I437 PolarHBondContact O-N 3.37Å; I437-A441 PolarHBondContact O-N 3.28Å |
| 438 | I | 98.1 | Very high | 96.2 | Very high | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.01 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -65.8 | -45.8 | 175.5 | -64.7 | 162.3 | 0 | 0 | 0 | 110.6 | A285 L344 Q434 H435 H436 C440 A441 A442 | A285-I438 HydrophobicContact CB-CB 3.92Å; A285-I438 HydrophobicContact CB-CG2 3.68Å; L344-I438 HydrophobicContact CD2-CD1 3.49Å; L344-I438 VanDerWaalsContact CD2-CD1 3.49Å; L344-I438 HydrophobicContact CD2-CG1 3.75Å; L344-I438 HydrophobicContact CD2-CG2 4.03Å; Q434-I438 HydrophobicContact CG-CD1 3.62Å; Q434-I438 HydrophobicContact CG-CG1 4.27Å; Q434-I438 WeakPolarHBondContact O-CD1 3.32Å; Q434-I438 VanDerWaalsContact O-CG1 3.27Å; Q434-I438 WeakPolarHBondContact O-CG1 3.5Å; Q434-I438 PolarHBondContact O-N 2.85Å; H435-I438 PolarHBondContact O-N 3.27Å; H436-I438 PolarHBondContact O-N 3.34Å; I438-C440 VanDerWaalsContact C-N 3.32Å; I438-C440 PolarHBondContact O-N 2.78Å; I438-A441 PolarHBondContact O-N 3.19Å; I438-A441 VanDerWaalsContact O-N 3.14Å; I438-A442 WeakPolarHBondContact O-CB 3.31Å; I438-A442 PolarHBondContact O-N 3.28Å |
| 439 | Q | 98.4 | Very high | 96.4 | Very high | 34 Ų | 34 | 37.8 Ų | 37.8 | 16% | 0.159 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.4 | -43.2 | -179.6 | 178.5 | 178.1 | 38.8 | 0 | 0 | 112 | A285 E288 H435 H436 A442 K443 | A285-Q439 HydrophobicContact CB-CB 4.12Å; E288-Q439 PolarHBondContact OE2-NE2 3.02Å; H435-Q439 VanDerWaalsContact O-CB 3.26Å; H435-Q439 WeakPolarHBondContact O-CB 3.5Å; H435-Q439 PolarHBondContact O-N 3.24Å; H436-Q439 PolarHBondContact ND1-OE1 3.18Å; H436-Q439 PolarHBondContact O-N 3.11Å; Q439-A442 PolarHBondContact O-N 3.43Å; Q439-K443 VanDerWaalsContact O-CB 3.3Å; Q439-K443 WeakPolarHBondContact O-CB 3.5Å; Q439-K443 PolarHBondContact O-N 3.4Å |
| 440 | C | 98.3 | Very high | 96.7 | Very high | 66 Ų | 66 | 38.7 Ų | 38.7 | 45% | 0.446 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -61 | -44.4 | 176 | -73.4 | 0 | 0 | 0 | 0 | 112.4 | H436 I438 K443 V444 | H436-C440 PolarHBondContact O-N 3.06Å; H436-C440 PolarHBondContact O-SG 2.73Å; H436-C440 VanDerWaalsContact O-SG 3.39Å; I438-C440 VanDerWaalsContact C-N 3.32Å; I438-C440 PolarHBondContact O-N 2.78Å; C440-K443 PolarHBondContact O-N 3.35Å; C440-V444 PolarHBondContact O-N 3.47Å |
| 441 | A | 98.6 | Very high | 96.8 | Very high | 6 Ų | 6 | 42.1 Ų | 42.1 | 5% | 0.05 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.4 | -43.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L362 V375 T377 I437 I438 K443 V444 L445 | L362-A441 HydrophobicContact CD1-CB 3.7Å; L362-A441 HydrophobicContact CD2-CB 4Å; V375-A441 HydrophobicContact CG1-CB 4.21Å; T377-A441 HydrophobicContact CG2-CB 3.89Å; I437-A441 PolarHBondContact O-N 3.28Å; I438-A441 PolarHBondContact O-N 3.19Å; I438-A441 VanDerWaalsContact O-N 3.14Å; A441-K443 PolarHBondContact O-N 2.79Å; A441-V444 WeakPolarHBondContact O-CB 3.38Å; A441-V444 PolarHBondContact O-N 3.23Å; A441-V444 VanDerWaalsContact O-N 3.15Å; A441-L445 PolarHBondContact O-N 3.09Å |
| 442 | A | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.6 | -31.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | V286 A289 L362 I438 Q439 L445 A446 | V286-A442 HydrophobicContact CG2-CB 4.06Å; A289-A442 HydrophobicContact CB-CB 3.62Å; L362-A442 HydrophobicContact CD2-CB 3.91Å; I438-A442 WeakPolarHBondContact O-CB 3.31Å; I438-A442 PolarHBondContact O-N 3.28Å; Q439-A442 PolarHBondContact O-N 3.43Å; A442-L445 PolarHBondContact O-N 3.24Å; A442-A446 VanDerWaalsContact O-CB 3.29Å; A442-A446 WeakPolarHBondContact O-CB 3.5Å; A442-A446 PolarHBondContact O-N 3.15Å |
| 443 | K | 98.4 | Very high | 96.5 | Very high | 81 Ų | 81 | 41.1 Ų | 41.1 | 35% | 0.352 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -71.1 | -36.5 | 176 | -173.9 | 174 | -178.5 | 169.1 | 0 | 112.6 | A289 E292 V293 Q439 C440 A441 G447 | A289-K443 HydrophobicContact CB-CB 3.99Å; E292-K443 WeakPolarHBondContact OE1-CE 3.35Å; E292-K443 IonicContact OE1-NZ 2.69Å; E292-K443 PolarHBondContact OE1-NZ 2.95Å; E292-K443 VanDerWaalsContact OE2-CE 3.22Å; E292-K443 WeakPolarHBondContact OE2-CE 3.47Å; E292-K443 IonicContact OE2-NZ 2.63Å; E292-K443 PolarHBondContact OE2-NZ 3.36Å; V293-K443 HydrophobicContact CG2-CG 3.99Å; Q439-K443 VanDerWaalsContact O-CB 3.3Å; Q439-K443 WeakPolarHBondContact O-CB 3.5Å; Q439-K443 PolarHBondContact O-N 3.4Å; C440-K443 PolarHBondContact O-N 3.35Å; A441-K443 PolarHBondContact O-N 2.79Å; K443-G447 PolarHBondContact O-N 3.5Å |
| 444 | V | 98.6 | Very high | 95.7 | Very high | 79 Ų | 79 | 44.6 Ų | 44.6 | 48% | 0.479 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.7 | -47.5 | 170.1 | 174.8 | 0 | 0 | 0 | 0 | 109.9 | V375 C440 A441 A446 G447 L448 | V375-V444 HydrophobicContact CG1-CB 4.27Å; V375-V444 HydrophobicContact CG1-CG1 4.2Å; V375-V444 HydrophobicContact CG2-CG1 4.3Å; C440-V444 PolarHBondContact O-N 3.47Å; A441-V444 WeakPolarHBondContact O-CB 3.38Å; A441-V444 PolarHBondContact O-N 3.23Å; A441-V444 VanDerWaalsContact O-N 3.15Å; V444-A446 PolarHBondContact O-N 2.96Å; V444-G447 PolarHBondContact O-N 3.31Å; V444-G447 VanDerWaalsContact O-N 3.17Å; V444-L448 HydrophobicContact CG1-CD1 4.02Å; V444-L448 HydrophobicContact CG1-CG 4.41Å; V444-L448 WeakPolarHBondContact O-CG 3.47Å; V444-L448 PolarHBondContact O-N 3.14Å |
| 445 | L | 98.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -57.3 | -48.5 | 177.7 | -171.8 | 69.4 | 0 | 0 | 0 | 112.1 | V342 L362 L364 L373 V375 A441 A442 G447 L448 Y449 | V342-L445 HydrophobicContact CG1-CD2 3.97Å; V342-L445 HydrophobicContact CG2-CD2 4.28Å; L362-L445 HydrophobicContact CB-CD2 3.99Å; L362-L445 HydrophobicContact CD2-CD2 4.28Å; L364-L445 HydrophobicContact CB-CD1 3.89Å; L364-L445 HydrophobicContact CB-CD2 3.96Å; L364-L445 HydrophobicContact CB-CG 3.99Å; L373-L445 HydrophobicContact CB-CD1 3.72Å; V375-L445 HydrophobicContact CB-CB 4.41Å; V375-L445 HydrophobicContact CB-CD1 4.2Å; V375-L445 HydrophobicContact CG2-CB 4.07Å; V375-L445 HydrophobicContact CG2-CD1 3.69Å; A441-L445 PolarHBondContact O-N 3.09Å; A442-L445 PolarHBondContact O-N 3.24Å; L445-G447 VanDerWaalsContact C-N 3.33Å; L445-G447 PolarHBondContact O-N 3.49Å; L445-L448 PolarHBondContact O-N 3.47Å; L445-Y449 WeakPolarHBondContact O-CB 3.44Å; L445-Y449 PolarHBondContact O-N 3.34Å |
| 446 | A | 97.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.5 | -40.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F290 V293 F294 A442 V444 Y449 K450 | F290-A446 HydrophobicContact CD1-CB 3.67Å; F290-A446 HydrophobicContact CD2-CB 3.83Å; F290-A446 HydrophobicContact CE1-CB 3.64Å; F290-A446 HydrophobicContact CE2-CB 3.79Å; F290-A446 HydrophobicContact CG-CB 3.79Å; F290-A446 HydrophobicContact CZ-CB 3.7Å; V293-A446 HydrophobicContact CB-CB 3.92Å; V293-A446 HydrophobicContact CG1-CB 4.08Å; V293-A446 HydrophobicContact CG2-CB 3.96Å; F294-A446 HydrophobicContact CE2-CB 4.16Å; A442-A446 VanDerWaalsContact O-CB 3.29Å; A442-A446 WeakPolarHBondContact O-CB 3.5Å; A442-A446 PolarHBondContact O-N 3.15Å; V444-A446 PolarHBondContact O-N 2.96Å; A446-Y449 PolarHBondContact O-N 3.33Å; A446-K450 WeakPolarHBondContact O-CB 3.17Å; A446-K450 PolarHBondContact O-N 3.34Å |
| 447 | G | 96.9 | Very high | 90.6 | Very high | 24 Ų | 24 | 55.4 Ų | 55.4 | 25% | 0.247 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.7 | -45.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | K443 V444 L445 K450 Q451 | K443-G447 PolarHBondContact O-N 3.5Å; V444-G447 PolarHBondContact O-N 3.31Å; V444-G447 VanDerWaalsContact O-N 3.17Å; L445-G447 VanDerWaalsContact C-N 3.33Å; L445-G447 PolarHBondContact O-N 3.49Å; G447-K450 PolarHBondContact O-N 2.96Å; G447-Q451 WeakPolarHBondContact O-CG 3.4Å; G447-Q451 PolarHBondContact O-N 3.04Å |
| 448 | L | 97.6 | Very high | 87.9 | Confident | 66 Ų | 66 | 67 Ų | 67 | 35% | 0.346 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.4 | -42.9 | 175.3 | -68.6 | 172.4 | 0 | 0 | 0 | 111.5 | L373 V375 V444 L445 Q451 Q452 | L373-L448 HydrophobicContact CD1-CB 4.01Å; L373-L448 HydrophobicContact CD2-CB 4.41Å; V375-L448 HydrophobicContact CG2-CD1 3.89Å; V444-L448 HydrophobicContact CG1-CD1 4.02Å; V444-L448 HydrophobicContact CG1-CG 4.41Å; V444-L448 WeakPolarHBondContact O-CG 3.47Å; V444-L448 PolarHBondContact O-N 3.14Å; L445-L448 PolarHBondContact O-N 3.47Å; L448-Q451 WeakPolarHBondContact O-CB 3.4Å; L448-Q451 PolarHBondContact O-N 2.99Å; L448-Q452 PolarHBondContact O-N 3.38Å; L448-Q452 VanDerWaalsContact O-N 3.16Å |
| 449 | Y | 96.8 | Very high | 87.4 | Confident | 2 Ų | 2 | 70.2 Ų | 70.2 | 1% | 0.008 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.3 | -46.2 | 177.9 | -178.4 | -137.8 | 0 | 0 | 0 | 111.9 | I271 I273 F290 F294 P340 L364 D366 I371 L373 L445 A446 Q451 Q452 L453 | I271-Y449 HydrophobicContact CD1-CD1 4.1Å; I271-Y449 HydrophobicContact CD1-CE1 3.32Å; I271-Y449 HydrophobicContact CG1-CE1 4.42Å; I273-Y449 HydrophobicContact CD1-CE1 4.23Å; F290-Y449 AromaticContact CE1-CD1 3.99Å; F290-Y449 HydrophobicContact CE1-CD1 3.99Å; F294-Y449 HydrophobicContact CE2-CD1 4.37Å; F294-Y449 AromaticContact CZ-CD1 3.86Å; F294-Y449 HydrophobicContact CZ-CD1 3.86Å; F294-Y449 HydrophobicContact CZ-CE1 4.47Å; P340-Y449 HydrophobicContact CB-CE1 4.46Å; P340-Y449 WeakPolarHBondContact CB-OH 3.22Å; P340-Y449 WeakPolarHBondContact CG-OH 3.45Å; L364-Y449 HydrophobicContact CD1-CD1 3.56Å; L364-Y449 HydrophobicContact CD1-CD2 4.23Å; L364-Y449 HydrophobicContact CD1-CE1 3.9Å; L364-Y449 HydrophobicContact CD1-CG 3.71Å; L364-Y449 HydrophobicContact CD2-CD1 4.4Å; L364-Y449 HydrophobicContact CD2-CD2 3.67Å; L364-Y449 HydrophobicContact CD2-CE1 4.43Å; L364-Y449 HydrophobicContact CD2-CE2 3.77Å; L364-Y449 HydrophobicContact CD2-CG 4Å; D366-Y449 HydrophobicContact CB-CE2 4.13Å; D366-Y449 PolarHBondContact OD2-OH 3.38Å; I371-Y449 HydrophobicContact CB-CE2 4.46Å; I371-Y449 HydrophobicContact CD1-CD2 4.04Å; I371-Y449 HydrophobicContact CD1-CE2 3.83Å; I371-Y449 HydrophobicContact CG2-CD2 3.91Å; I371-Y449 HydrophobicContact CG2-CE2 4.15Å; L373-Y449 HydrophobicContact CD1-CD2 4.44Å; L445-Y449 WeakPolarHBondContact O-CB 3.44Å; L445-Y449 PolarHBondContact O-N 3.34Å; A446-Y449 PolarHBondContact O-N 3.33Å; Y449-Q451 PolarHBondContact O-N 3.45Å; Y449-Q452 PolarHBondContact O-N 3.16Å; Y449-L453 HydrophobicContact CD1-CD1 4.13Å; Y449-L453 HydrophobicContact CD2-CD1 4.28Å; Y449-L453 HydrophobicContact CD2-CG 4.16Å; Y449-L453 HydrophobicContact CE1-CD1 3.89Å; Y449-L453 HydrophobicContact CE2-CD1 3.99Å; Y449-L453 HydrophobicContact CE2-CD2 3.85Å; Y449-L453 HydrophobicContact CE2-CG 3.88Å; Y449-L453 HydrophobicContact CG-CD1 4.36Å; Y449-L453 WeakPolarHBondContact O-CG 3.22Å; Y449-L453 PolarHBondContact O-N 2.85Å |
| 450 | K | 93.7 | Very high | 86.8 | Confident | 86 Ų | 86 | 72.1 Ų | 72.1 | 37% | 0.374 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -55.7 | -40.6 | 174.9 | -168.4 | 172.6 | -171.4 | 176.1 | 0 | 112 | V293 F294 A446 G447 Q452 L453 L454 | V293-K450 HydrophobicContact CG1-CB 4.25Å; V293-K450 HydrophobicContact CG1-CD 3.86Å; V293-K450 PolarHBondContact O-NZ 3.2Å; F294-K450 HydrophobicContact CD1-CD 4.47Å; F294-K450 HydrophobicContact CE1-CB 4.03Å; F294-K450 HydrophobicContact CE1-CD 4.39Å; F294-K450 HydrophobicContact CE1-CG 3.99Å; F294-K450 HydrophobicContact CE2-CB 4.16Å; F294-K450 HydrophobicContact CZ-CB 3.63Å; F294-K450 HydrophobicContact CZ-CG 4.13Å; A446-K450 WeakPolarHBondContact O-CB 3.17Å; A446-K450 PolarHBondContact O-N 3.34Å; G447-K450 PolarHBondContact O-N 2.96Å; K450-Q452 VanDerWaalsContact C-N 3.32Å; K450-Q452 PolarHBondContact O-N 3.44Å; K450-L453 PolarHBondContact O-N 3.24Å; K450-L454 WeakPolarHBondContact O-CG 3.41Å; K450-L454 PolarHBondContact O-N 3.3Å |
| 451 | Q | 93.2 | Very high | 86.2 | Confident | 130 Ų | 130 | 72.4 Ų | 72.4 | 61% | 0.607 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -64.6 | -33.4 | 176.1 | -71.9 | 174.3 | -6.7 | 0 | 0 | 113.2 | G447 L448 Y449 | G447-Q451 WeakPolarHBondContact O-CG 3.4Å; G447-Q451 PolarHBondContact O-N 3.04Å; L448-Q451 WeakPolarHBondContact O-CB 3.4Å; L448-Q451 PolarHBondContact O-N 2.99Å; Y449-Q451 PolarHBondContact O-N 3.45Å |
| 452 | Q | 92.2 | Very high | 85.5 | Confident | 82 Ų | 82 | 76.4 Ų | 76.4 | 38% | 0.383 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -82.6 | -15.5 | 178.1 | -70.1 | -171 | -16.2 | 0 | 0 | 114.2 | I371 L448 Y449 K450 P455 | I371-Q452 HydrophobicContact CD1-CB 3.68Å; I371-Q452 HydrophobicContact CG1-CB 4.18Å; L448-Q452 PolarHBondContact O-N 3.38Å; L448-Q452 VanDerWaalsContact O-N 3.16Å; Y449-Q452 PolarHBondContact O-N 3.16Å; K450-Q452 VanDerWaalsContact C-N 3.32Å; K450-Q452 PolarHBondContact O-N 3.44Å; Q452-P455 WeakPolarHBondContact O-CD 3.19Å |
| 453 | L | 88.9 | Confident | 84.7 | Confident | 22 Ų | 22 | 81.1 Ų | 81.1 | 12% | 0.115 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -81 | -30.1 | 171.9 | -69.2 | 172.1 | 0 | 0 | 0 | 113 | I271 F294 I371 Y449 K450 W456 | I271-L453 HydrophobicContact CD1-CD1 3.59Å; F294-L453 HydrophobicContact CE1-CD1 3.94Å; F294-L453 HydrophobicContact CZ-CD1 4.17Å; I371-L453 HydrophobicContact CD1-CD2 4.09Å; Y449-L453 HydrophobicContact CD1-CD1 4.13Å; Y449-L453 HydrophobicContact CD2-CD1 4.28Å; Y449-L453 HydrophobicContact CD2-CG 4.16Å; Y449-L453 HydrophobicContact CE1-CD1 3.89Å; Y449-L453 HydrophobicContact CE2-CD1 3.99Å; Y449-L453 HydrophobicContact CE2-CD2 3.85Å; Y449-L453 HydrophobicContact CE2-CG 3.88Å; Y449-L453 HydrophobicContact CG-CD1 4.36Å; Y449-L453 WeakPolarHBondContact O-CG 3.22Å; Y449-L453 PolarHBondContact O-N 2.85Å; K450-L453 PolarHBondContact O-N 3.24Å; L453-W456 WeakPolarHBondContact O-CB 3.45Å; L453-W456 PolarHBondContact O-N 3.32Å |
| 454 | L | 78.4 | Confident | 83.8 | Confident | 106 Ų | 106 | 81.1 Ų | 81.1 | 56% | 0.555 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -51.6 | -39.2 | -178.6 | -68.5 | 172.4 | 0 | 0 | 0 | 115.4 | K450 W456 T457 | K450-L454 WeakPolarHBondContact O-CG 3.41Å; K450-L454 PolarHBondContact O-N 3.3Å; L454-W456 PolarHBondContact O-N 2.98Å; L454-W456 VanDerWaalsContact O-N 3.13Å; L454-T457 WeakPolarHBondContact CA-OG1 3.38Å; L454-T457 PolarHBondContact O-N 3.25Å; L454-T457 PolarHBondContact O-OG1 3.34Å |
| 455 | P | 68 | Low | 82.7 | Confident | 98 Ų | 98 | 81.3 Ų | 81.3 | 64% | 0.636 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -64.7 | -9.8 | 176 | -22.4 | 35.1 | 0 | 0 | 0 | 115.4 | Q452 | Q452-P455 WeakPolarHBondContact O-CD 3.19Š|
| 456 | W | 57.6 | Low | 81.5 | Confident | 165 Ų | 165 | 87.5 Ų | 87.5 | 63% | 0.625 | 44% | 0.44 | S | S | * | . | G | 310 helix | trans | -110.6 | 3.7 | -177.2 | -54.1 | 102.1 | 0 | 0 | 0 | 113.1 | L453 L454 | L453-W456 WeakPolarHBondContact O-CB 3.45Å; L453-W456 PolarHBondContact O-N 3.32Å; L454-W456 PolarHBondContact O-N 2.98Å; L454-W456 VanDerWaalsContact O-N 3.13Å |
| 457 | T | 56.8 | Low | 80.1 | Confident | 102 Ų | 102 | 94.8 Ų | 94.8 | 63% | 0.626 | 48% | 0.476 | S | S | * | . | trans | -112.6 | 14.2 | -175.7 | 50.4 | 0 | 0 | 0 | 0 | 114.7 | L454 | L454-T457 WeakPolarHBondContact CA-OG1 3.38Å; L454-T457 PolarHBondContact O-N 3.25Å; L454-T457 PolarHBondContact O-OG1 3.34Å | ||
| 458 | E | 41.5 | Very low | 78.6 | Confident | 255 Ų | 255 | 101.3 Ų | 101.3 | 100% | 1.192 | 50% | 0.497 | S | S | * | . | trans | -105.5 | 0 | 171.7 | -69.1 | -162.8 | 146.3 | 0 | 0 | 112.8 |
Retrieved 458 of 458 residues in 996.8 ms
(Link to these results)