| 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 | 30.9 | Very low | 33.5 | Very low | 239 Ų | 239 | 149.4 Ų | 149.4 | 100% | 1.177 | 84% | 0.836 | S | S | * | * | 0 | 108.9 | 0 | -138.8 | 151.7 | 79.7 | 0 | 0 | 106.5 | |||||
| 2 | W | 23.3 | Very low | 33.8 | Very low | 246 Ų | 246 | 152.8 Ų | 152.8 | 93% | 0.932 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 144.8 | -179.6 | -68.8 | 77.1 | 0 | 0 | 0 | 110.3 | ||
| 3 | P | 30.3 | Very low | 34 | Very low | 124 Ų | 124 | 156.1 Ų | 156.1 | 81% | 0.805 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 136.9 | 151.9 | -0.6 | 20.5 | 0 | 0 | 0 | 110 | ||
| 4 | S | 28.6 | Very low | 34 | Very low | 104 Ų | 104 | 155.9 Ų | 155.9 | 73% | 0.727 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 139.7 | -171.3 | 47.8 | 0 | 0 | 0 | 0 | 115.5 | S6 | S4-S6 PolarHBondContact O-N 3.45Š|
| 5 | E | 38.3 | Very low | 34.2 | Very low | 199 Ų | 199 | 154.3 Ų | 154.3 | 93% | 0.93 | 82% | 0.819 | S | S | * | * | trans | -60.3 | 114.3 | 159.9 | -67.7 | 173.6 | 128.4 | 0 | 0 | 110.7 | ||||
| 6 | S | 36.9 | Very low | 34.2 | Very low | 96 Ų | 96 | 153.8 Ų | 153.8 | 67% | 0.671 | 82% | 0.815 | S | S | * | * | trans | 178.4 | 70.8 | 153.6 | 41.3 | 0 | 0 | 0 | 0 | 111.3 | S4 | S4-S6 PolarHBondContact O-N 3.45Š| ||
| 7 | T | 35.9 | Very low | 34.3 | Very low | 127 Ų | 127 | 149.5 Ų | 149.5 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -163.4 | 27.7 | 165.8 | 4.5 | 0 | 0 | 0 | 0 | 117 | ||
| 8 | W | 36.8 | Very low | 34.4 | Very low | 261 Ų | 261 | 146.9 Ų | 146.9 | 99% | 0.989 | 80% | 0.801 | S | S | * | * | trans | -140.9 | 37.8 | 174.8 | -70.9 | 90.8 | 0 | 0 | 0 | 114.4 | ||||
| 9 | G | 36.5 | Very low | 34.6 | Very low | 85 Ų | 85 | 146.5 Ų | 146.5 | 88% | 0.876 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -123.5 | 88.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 10 | G | 33.8 | Very low | 34.7 | Very low | 54 Ų | 54 | 145.2 Ų | 145.2 | 56% | 0.557 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -168.5 | -46.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 11 | S | 36.8 | Very low | 34.5 | Very low | 108 Ų | 108 | 144.5 Ų | 144.5 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.3 | 5.1 | -160.9 | -47.6 | 0 | 0 | 0 | 0 | 116.7 | ||
| 12 | K | 37.8 | Very low | 34.7 | Very low | 191 Ų | 191 | 136.2 Ų | 136.2 | 83% | 0.83 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.1 | -11.1 | 177 | -76.1 | -173.3 | 178.1 | -178.8 | 0 | 115 | ||
| 13 | F | 35.4 | Very low | 35.1 | Very low | 195 Ų | 195 | 135.7 Ų | 135.7 | 86% | 0.855 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -81.5 | -14.6 | 178.3 | -106.3 | -85.9 | 0 | 0 | 0 | 113.9 | ||
| 14 | Q | 34.4 | Very low | 35.5 | Very low | 154 Ų | 154 | 134.6 Ų | 134.6 | 72% | 0.72 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -88.4 | -17.3 | -175.9 | -139.3 | 110.9 | 29.5 | 0 | 0 | 114.3 | ||
| 15 | I | 37 | Very low | 35.6 | Very low | 132 Ų | 132 | 140.4 Ų | 140.4 | 68% | 0.677 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -88.4 | -24.3 | -172.7 | -64.4 | 177.1 | 0 | 0 | 0 | 112.7 | ||
| 16 | L | 33.8 | Very low | 35.5 | Very low | 146 Ų | 146 | 140.4 Ų | 140.4 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -89.5 | -11.8 | 179.1 | -88.7 | 160.3 | 0 | 0 | 0 | 114.5 | S18 | L16-S18 VanDerWaalsContact C-N 3.34Š|
| 17 | A | 36.6 | Very low | 35.9 | Very low | 80 Ų | 80 | 141 Ų | 141 | 66% | 0.661 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | -10.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 18 | S | 35.9 | Very low | 36 | Very low | 103 Ų | 103 | 146 Ų | 146 | 72% | 0.72 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.9 | 0.6 | -175 | -55.7 | 0 | 0 | 0 | 0 | 114.7 | L16 | L16-S18 VanDerWaalsContact C-N 3.34Š|
| 19 | L | 37.6 | Very low | 36.1 | Very low | 140 Ų | 140 | 136.9 Ų | 136.9 | 73% | 0.733 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -106.7 | 5 | -174.7 | -89.3 | 162.4 | 0 | 0 | 0 | 115.5 | ||
| 20 | V | 36.6 | Very low | 36.3 | Very low | 119 Ų | 119 | 140 Ų | 140 | 72% | 0.721 | 76% | 0.761 | S | S | * | * | trans | -142.9 | 100.7 | 176.1 | -173.6 | 0 | 0 | 0 | 0 | 111.1 | G22 | V20-G22 PolarHBondContact O-N 3.5Š| ||
| 21 | P | 32.1 | Very low | 36.6 | Very low | 132 Ų | 132 | 141.3 Ų | 141.3 | 86% | 0.857 | 76% | 0.76 | S | S | * | * | trans | -77.2 | 112.4 | 167.1 | -1.9 | 19.4 | 0 | 0 | 0 | 109.3 | ||||
| 22 | G | 33.2 | Very low | 36.6 | Very low | 65 Ų | 65 | 143.5 Ų | 143.5 | 67% | 0.67 | 76% | 0.756 | S | S | * | * | S | Bend | trans | 85.9 | 89.7 | 151.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | V20 | V20-G22 PolarHBondContact O-N 3.5Š|
| 23 | R | 32.8 | Very low | 36.8 | Very low | 234 Ų | 234 | 138.6 Ų | 138.6 | 88% | 0.883 | 74% | 0.742 | S | S | * | * | -179.6 | 121.7 | 122.6 | -100.8 | 173.4 | -175.5 | -175.7 | 2.3 | 109.6 | Y25 | R23-Y25 PolarHBondContact O-N 2.97Å; R23-Y25 VanDerWaalsContact O-N 3.14Å | |||
| 24 | A | 37.9 | Very low | 37.2 | Very low | 101 Ų | 101 | 133.3 Ų | 133.3 | 84% | 0.835 | 73% | 0.726 | S | S | * | * | trans | -67 | 105.3 | -179 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 25 | Y | 31.6 | Very low | 37.4 | Very low | 226 Ų | 226 | 130.1 Ų | 130.1 | 89% | 0.886 | 72% | 0.719 | S | S | * | * | trans | -96.1 | 90.6 | 156.5 | -81.7 | -85.4 | 0 | 0 | 0 | 108.4 | R23 | R23-Y25 PolarHBondContact O-N 2.97Å; R23-Y25 VanDerWaalsContact O-N 3.14Å | ||
| 26 | K | 36.5 | Very low | 37.7 | Very low | 200 Ų | 200 | 130 Ų | 130 | 87% | 0.87 | 72% | 0.719 | S | S | * | * | trans | -71.2 | 128.9 | 169 | -94.9 | 179.5 | 174.9 | 178.4 | 0 | 109.8 | ||||
| 27 | S | 44.3 | Very low | 38 | Very low | 108 Ų | 108 | 130.5 Ų | 130.5 | 76% | 0.755 | 72% | 0.715 | S | S | * | * | S | Bend | trans | 54.4 | 86.1 | 156.8 | -73.2 | 0 | 0 | 0 | 0 | 118.4 | ||
| 28 | R | 39.1 | Very low | 38 | Very low | 233 Ų | 233 | 135 Ų | 135 | 88% | 0.879 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -164.4 | -2.4 | 145.1 | -107 | 168 | -161.7 | -156.6 | 5.5 | 114.8 | ||
| 29 | A | 38.1 | Very low | 38.3 | Very low | 69 Ų | 69 | 131.7 Ų | 131.7 | 57% | 0.57 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -93.1 | -7.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | P31 F32 | A29-P31 VanDerWaalsContact C-CD 3.47Å; A29-F32 PolarHBondContact O-N 2.95Å |
| 30 | L | 41.2 | Very low | 38.5 | Very low | 149 Ų | 149 | 130 Ų | 130 | 78% | 0.78 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -69 | -26.3 | -176.4 | -107.9 | 78.4 | 0 | 0 | 0 | 116.6 | T34 | L30-T34 PolarHBondContact O-OG1 3.08Å |
| 31 | P | 39.7 | Very low | 39.1 | Very low | 83 Ų | 83 | 129.9 Ų | 129.9 | 54% | 0.539 | 70% | 0.701 | S | S | . | * | H | α-helix | trans | -83.2 | -14.4 | 176.4 | 30.2 | -30.8 | 0 | 0 | 0 | 113.7 | A29 C35 | A29-P31 VanDerWaalsContact C-CD 3.47Å; P31-C35 PolarHBondContact O-SG 2.75Å; P31-C35 VanDerWaalsContact O-SG 3.42Å |
| 32 | F | 36.5 | Very low | 40 | Very low | 153 Ų | 153 | 128.1 Ų | 128.1 | 67% | 0.671 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -81.2 | -35.6 | -174.9 | -87.5 | -85 | 0 | 0 | 0 | 113.6 | A29 | A29-F32 PolarHBondContact O-N 2.95Å |
| 33 | V | 43.3 | Very low | 41.1 | Very low | 88 Ų | 88 | 129.1 Ų | 129.1 | 53% | 0.533 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -79.9 | -32.3 | -179 | -177 | 0 | 0 | 0 | 0 | 110.9 | C35 I36 F37 | V33-C35 PolarHBondContact O-N 3.43Å; V33-I36 PolarHBondContact O-N 3.33Å; V33-F37 HydrophobicContact CG1-CD2 4.15Å; V33-F37 HydrophobicContact CG1-CE2 4.16Å; V33-F37 PolarHBondContact O-N 3.36Å |
| 34 | T | 42 | Very low | 41.9 | Very low | 84 Ų | 84 | 125.4 Ų | 125.4 | 52% | 0.515 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -69.4 | -31 | -178.7 | -34.4 | 0 | 0 | 0 | 0 | 112.8 | L30 I36 F37 F38 | L30-T34 PolarHBondContact O-OG1 3.08Å; T34-I36 VanDerWaalsContact C-N 3.31Å; T34-I36 PolarHBondContact O-N 3.19Å; T34-F37 PolarHBondContact O-N 3.17Å; T34-F38 PolarHBondContact O-N 3.34Å |
| 35 | C | 39.3 | Very low | 42.5 | Very low | 87 Ų | 87 | 124.4 Ų | 124.4 | 59% | 0.588 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -68.8 | -28 | 176.4 | -71.1 | 0 | 0 | 0 | 0 | 113.2 | P31 V33 | P31-C35 PolarHBondContact O-SG 2.75Å; P31-C35 VanDerWaalsContact O-SG 3.42Å; V33-C35 PolarHBondContact O-N 3.43Å |
| 36 | I | 43.8 | Very low | 43.3 | Very low | 131 Ų | 131 | 117 Ų | 117 | 67% | 0.672 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -76 | -35 | 178.8 | -62.8 | 176.5 | 0 | 0 | 0 | 110.6 | V33 T34 | V33-I36 PolarHBondContact O-N 3.33Å; T34-I36 VanDerWaalsContact C-N 3.31Å; T34-I36 PolarHBondContact O-N 3.19Å |
| 37 | F | 40.5 | Very low | 44.1 | Very low | 156 Ų | 156 | 109.2 Ų | 109.2 | 68% | 0.684 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -84 | -20.7 | -178.8 | -82 | -82.3 | 0 | 0 | 0 | 114.9 | V33 T34 S39 | V33-F37 HydrophobicContact CG1-CD2 4.15Å; V33-F37 HydrophobicContact CG1-CE2 4.16Å; V33-F37 PolarHBondContact O-N 3.36Å; T34-F37 PolarHBondContact O-N 3.17Å; F37-S39 VanDerWaalsContact C-N 3.27Å; F37-S39 PolarHBondContact O-N 3.45Å |
| 38 | F | 35.3 | Very low | 45 | Very low | 174 Ų | 174 | 108 Ų | 108 | 76% | 0.763 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | -1.4 | 174.3 | -115.6 | -94.2 | 0 | 0 | 0 | 113.9 | T34 S40 | T34-F38 PolarHBondContact O-N 3.34Å; F38-S40 VanDerWaalsContact C-N 3.27Å; F38-S40 PolarHBondContact O-N 3.39Å |
| 39 | S | 42.3 | Very low | 46 | Very low | 34 Ų | 34 | 101 Ų | 101 | 24% | 0.238 | 58% | 0.584 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -88.9 | 22.8 | -179.7 | -144 | 0 | 0 | 0 | 0 | 113.7 | F37 S47 | F37-S39 VanDerWaalsContact C-N 3.27Å; F37-S39 PolarHBondContact O-N 3.45Å; S39-S47 PolarHBondContact OG-OG 3.32Å |
| 40 | S | 41.6 | Very low | 47 | Very low | 105 Ų | 105 | 101.8 Ų | 101.8 | 73% | 0.734 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | -6.7 | 175.2 | -51.5 | 0 | 0 | 0 | 0 | 113.2 | F38 | F38-S40 VanDerWaalsContact C-N 3.27Å; F38-S40 PolarHBondContact O-N 3.39Å |
| 41 | S | 50.7 | Low | 48.2 | Very low | 115 Ų | 115 | 98.2 Ų | 98.2 | 80% | 0.804 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -123.7 | 7 | -176.7 | -64.5 | 0 | 0 | 0 | 0 | 114.8 | ||
| 42 | L | 49.4 | Very low | 49.7 | Very low | 96 Ų | 96 | 97.5 Ų | 97.5 | 50% | 0.503 | 56% | 0.556 | S | S | . | * | S | Bend | trans | -102.8 | 133.1 | 173.9 | -91 | 74.4 | 0 | 0 | 0 | 109.8 | L44 V46 | L42-L44 PolarHBondContact O-N 3.36Å; L42-V46 HydrophobicContact CB-CB 4.38Å; L42-V46 HydrophobicContact CD2-CB 4.09Å; L42-V46 HydrophobicContact CD2-CG1 3.67Å |
| 43 | S | 56.7 | Low | 51.5 | Low | 85 Ų | 85 | 96.6 Ų | 96.6 | 59% | 0.594 | 55% | 0.552 | S | S | * | * | trans | -41.8 | 136.9 | 175.1 | 174.5 | 0 | 0 | 0 | 0 | 111.2 | S45 V46 S47 | S43-S45 PolarHBondContact O-N 3.48Å; S43-V46 PolarHBondContact O-N 3.36Å; S43-S47 PolarHBondContact O-N 3.35Å | ||
| 44 | L | 50.7 | Low | 52.8 | Low | 157 Ų | 157 | 97.1 Ų | 97.1 | 82% | 0.822 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -44.6 | -32.2 | -179.5 | -102.4 | 80.9 | 0 | 0 | 0 | 112.9 | L42 S47 L48 | L42-L44 PolarHBondContact O-N 3.36Å; L44-S47 PolarHBondContact O-N 2.96Å; L44-L48 WeakPolarHBondContact O-CB 3.48Å; L44-L48 PolarHBondContact O-N 3.37Å |
| 45 | S | 48.9 | Very low | 54.3 | Low | 80 Ų | 80 | 98.6 Ų | 98.6 | 56% | 0.559 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -59.3 | -44.1 | 176 | -179.6 | 0 | 0 | 0 | 0 | 113.3 | S43 C49 | S43-S45 PolarHBondContact O-N 3.48Å; S45-C49 WeakPolarHBondContact O-CB 3.38Å; S45-C49 PolarHBondContact O-N 3.25Å |
| 46 | V | 49.9 | Very low | 55.8 | Low | 70 Ų | 70 | 96.5 Ų | 96.5 | 42% | 0.424 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -75.5 | -35.8 | -178.9 | -170.4 | 0 | 0 | 0 | 0 | 111 | L42 S43 C49 L50 | L42-V46 HydrophobicContact CB-CB 4.38Å; L42-V46 HydrophobicContact CD2-CB 4.09Å; L42-V46 HydrophobicContact CD2-CG1 3.67Å; S43-V46 PolarHBondContact O-N 3.36Å; V46-C49 PolarHBondContact O-N 3.44Å; V46-L50 WeakPolarHBondContact O-CB 3.39Å; V46-L50 PolarHBondContact O-N 3.04Å |
| 47 | S | 52.2 | Low | 56.9 | Low | 36 Ų | 36 | 92.6 Ų | 92.6 | 25% | 0.252 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.9 | -40 | 176.3 | -159.8 | 0 | 0 | 0 | 0 | 111.7 | S39 S43 L44 L50 C51 | S39-S47 PolarHBondContact OG-OG 3.32Å; S43-S47 PolarHBondContact O-N 3.35Å; L44-S47 PolarHBondContact O-N 2.96Å; S47-L50 PolarHBondContact O-N 3.41Å; S47-C51 WeakPolarHBondContact O-CB 3.4Å; S47-C51 PolarHBondContact O-N 3.05Å; S47-C51 PolarHBondContact O-SG 2.69Å |
| 48 | L | 63.4 | Low | 58.1 | Low | 84 Ų | 84 | 89.8 Ų | 89.8 | 44% | 0.44 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.4 | -42.1 | 173.9 | -153.9 | 82.2 | 0 | 0 | 0 | 112 | L44 L50 C51 L52 | L44-L48 WeakPolarHBondContact O-CB 3.48Å; L44-L48 PolarHBondContact O-N 3.37Å; L48-L50 VanDerWaalsContact C-N 3.33Å; L48-L50 PolarHBondContact O-N 3.19Å; L48-C51 PolarHBondContact O-N 3.06Å; L48-L52 HydrophobicContact CD2-CD1 4.5Å; L48-L52 HydrophobicContact CG-CD1 4.38Å; L48-L52 WeakPolarHBondContact O-CB 3.04Å; L48-L52 WeakPolarHBondContact O-CG 3.4Å; L48-L52 PolarHBondContact O-N 2.98Å |
| 49 | C | 61.1 | Low | 59.6 | Low | 86 Ų | 86 | 85 Ų | 85 | 58% | 0.581 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.2 | -41.9 | 174.1 | -115.7 | 0 | 0 | 0 | 0 | 111.7 | S45 V46 F53 | S45-C49 WeakPolarHBondContact O-CB 3.38Å; S45-C49 PolarHBondContact O-N 3.25Å; V46-C49 PolarHBondContact O-N 3.44Å; C49-F53 WeakPolarHBondContact O-CB 3.48Å; C49-F53 PolarHBondContact O-N 3.19Å |
| 50 | L | 57.7 | Low | 60.3 | Low | 85 Ų | 85 | 88.9 Ų | 88.9 | 45% | 0.445 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.8 | -39.6 | 177.3 | -148.8 | 80.5 | 0 | 0 | 0 | 111.2 | V46 S47 L48 F53 L54 | V46-L50 WeakPolarHBondContact O-CB 3.39Å; V46-L50 PolarHBondContact O-N 3.04Å; S47-L50 PolarHBondContact O-N 3.41Å; L48-L50 VanDerWaalsContact C-N 3.33Å; L48-L50 PolarHBondContact O-N 3.19Å; L50-F53 PolarHBondContact O-N 2.97Å; L50-L54 HydrophobicContact CG-CD1 4.41Å; L50-L54 VanDerWaalsContact O-CB 3.28Å; L50-L54 WeakPolarHBondContact O-CB 3.38Å; L50-L54 WeakPolarHBondContact O-CG 3.45Å; L50-L54 PolarHBondContact O-N 3.33Å |
| 51 | C | 66.4 | Low | 60.8 | Low | 73 Ų | 73 | 87.8 Ų | 87.8 | 49% | 0.493 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.5 | -40.6 | 177.2 | -71.3 | 0 | 0 | 0 | 0 | 112 | S47 L48 L54 F55 | S47-C51 WeakPolarHBondContact O-CB 3.4Å; S47-C51 PolarHBondContact O-N 3.05Å; S47-C51 PolarHBondContact O-SG 2.69Å; L48-C51 PolarHBondContact O-N 3.06Å; C51-L54 PolarHBondContact O-N 2.66Å; C51-F55 WeakPolarHBondContact O-CB 3.49Å; C51-F55 PolarHBondContact O-N 3.16Å |
| 52 | L | 72.6 | Confident | 60.7 | Low | 68 Ų | 68 | 88.3 Ų | 88.3 | 36% | 0.356 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.1 | -40.4 | 173.4 | -77.9 | 165.9 | 0 | 0 | 0 | 111.7 | L48 F55 L56 | L48-L52 HydrophobicContact CD2-CD1 4.5Å; L48-L52 HydrophobicContact CG-CD1 4.38Å; L48-L52 WeakPolarHBondContact O-CB 3.04Å; L48-L52 WeakPolarHBondContact O-CG 3.4Å; L48-L52 PolarHBondContact O-N 2.98Å; L52-F55 PolarHBondContact O-N 3.36Å; L52-L56 WeakPolarHBondContact O-CB 3.37Å; L52-L56 WeakPolarHBondContact O-CD1 3.21Å; L52-L56 PolarHBondContact O-N 2.84Å |
| 53 | F | 73.5 | Confident | 60.7 | Low | 135 Ų | 135 | 88.1 Ų | 88.1 | 59% | 0.592 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.3 | -44.4 | 174.6 | -178.6 | -99.4 | 0 | 0 | 0 | 111.7 | C49 L50 L56 C57 | C49-F53 WeakPolarHBondContact O-CB 3.48Å; C49-F53 PolarHBondContact O-N 3.19Å; L50-F53 PolarHBondContact O-N 2.97Å; F53-L56 PolarHBondContact O-N 2.77Å; F53-C57 WeakPolarHBondContact O-CB 3.45Å; F53-C57 PolarHBondContact O-N 2.98Å; F53-C57 PolarHBondContact O-SG 2.87Å |
| 54 | L | 71.6 | Confident | 60 | Low | 98 Ų | 98 | 87.8 Ų | 87.8 | 51% | 0.513 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.8 | -35.8 | 176.9 | -71.1 | 171.8 | 0 | 0 | 0 | 112 | L50 C51 C57 L58 | L50-L54 HydrophobicContact CG-CD1 4.41Å; L50-L54 VanDerWaalsContact O-CB 3.28Å; L50-L54 WeakPolarHBondContact O-CB 3.38Å; L50-L54 WeakPolarHBondContact O-CG 3.45Å; L50-L54 PolarHBondContact O-N 3.33Å; C51-L54 PolarHBondContact O-N 2.66Å; L54-C57 PolarHBondContact O-N 3.13Å; L54-L58 WeakPolarHBondContact O-CB 3.42Å; L54-L58 PolarHBondContact O-N 2.94Å |
| 55 | F | 73.4 | Confident | 59.2 | Low | 115 Ų | 115 | 85.7 Ų | 85.7 | 50% | 0.504 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.2 | -42.5 | 173.9 | -174.9 | -106.1 | 0 | 0 | 0 | 111.6 | C51 L52 L58 L59 | C51-F55 WeakPolarHBondContact O-CB 3.49Å; C51-F55 PolarHBondContact O-N 3.16Å; L52-F55 PolarHBondContact O-N 3.36Å; F55-L58 PolarHBondContact O-N 3.26Å; F55-L59 HydrophobicContact CD1-CD1 3.81Å; F55-L59 HydrophobicContact CD1-CG 4.38Å; F55-L59 HydrophobicContact CE1-CD1 3.44Å; F55-L59 VanDerWaalsContact CE1-CD1 3.44Å; F55-L59 HydrophobicContact CE1-CG 4.12Å; F55-L59 HydrophobicContact CZ-CD1 3.99Å; F55-L59 HydrophobicContact CZ-CD2 4.4Å; F55-L59 HydrophobicContact CZ-CG 4.27Å; F55-L59 WeakPolarHBondContact O-CG 3.22Å; F55-L59 PolarHBondContact O-N 3.45Å |
| 56 | L | 71.1 | Confident | 58.8 | Low | 44 Ų | 44 | 87.9 Ų | 87.9 | 23% | 0.23 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -61.2 | -44.4 | 170.8 | -104.5 | 84.7 | 0 | 0 | 0 | 111.4 | L52 F53 L58 L59 L60 I454 | L52-L56 WeakPolarHBondContact O-CB 3.37Å; L52-L56 WeakPolarHBondContact O-CD1 3.21Å; L52-L56 PolarHBondContact O-N 2.84Å; F53-L56 PolarHBondContact O-N 2.77Å; L56-L58 VanDerWaalsContact C-N 3.28Å; L56-L58 PolarHBondContact O-N 3.09Å; L56-L59 PolarHBondContact O-N 3.39Å; L56-L60 WeakPolarHBondContact O-CD1 3.34Å; L56-L60 PolarHBondContact O-N 3.24Å; L56-I454 HydrophobicContact CD2-CD1 4.29Å; L56-I454 HydrophobicContact CD2-CG1 3.85Å; L56-I454 HydrophobicContact CD2-CG2 4.42Å |
| 57 | C | 65.5 | Low | 58.4 | Low | 49 Ų | 49 | 89.4 Ų | 89.4 | 33% | 0.331 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.3 | -37.5 | 176.1 | -70.9 | 0 | 0 | 0 | 0 | 112 | F53 L54 S61 | F53-C57 WeakPolarHBondContact O-CB 3.45Å; F53-C57 PolarHBondContact O-N 2.98Å; F53-C57 PolarHBondContact O-SG 2.87Å; L54-C57 PolarHBondContact O-N 3.13Å; C57-S61 VanDerWaalsContact O-CB 3.31Å; C57-S61 WeakPolarHBondContact O-CB 3.45Å; C57-S61 PolarHBondContact O-N 3.48Å; C57-S61 PolarHBondContact O-OG 2.97Å |
| 58 | L | 65.2 | Low | 57.6 | Low | 97 Ų | 97 | 96.1 Ų | 96.1 | 51% | 0.508 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -68.8 | -42.6 | 176.2 | -170.3 | 71.8 | 0 | 0 | 0 | 111.4 | L54 F55 L56 S61 L62 | L54-L58 WeakPolarHBondContact O-CB 3.42Å; L54-L58 PolarHBondContact O-N 2.94Å; F55-L58 PolarHBondContact O-N 3.26Å; L56-L58 VanDerWaalsContact C-N 3.28Å; L56-L58 PolarHBondContact O-N 3.09Å; L58-S61 PolarHBondContact O-N 3.43Å; L58-S61 VanDerWaalsContact O-N 3.17Å; L58-L62 HydrophobicContact CD1-CD1 4.42Å; L58-L62 HydrophobicContact CD2-CD1 4.37Å; L58-L62 HydrophobicContact CG-CD1 3.85Å; L58-L62 HydrophobicContact CG-CG 4.48Å; L58-L62 WeakPolarHBondContact O-CB 3.46Å; L58-L62 VanDerWaalsContact O-CG 3.29Å; L58-L62 WeakPolarHBondContact O-CG 3.37Å; L58-L62 PolarHBondContact O-N 2.93Å |
| 59 | L | 67.4 | Low | 56.1 | Low | 73 Ų | 73 | 103.4 Ų | 103.4 | 38% | 0.382 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -63.5 | -41 | 174.4 | -73.2 | 175.8 | 0 | 0 | 0 | 112.3 | F55 L56 S61 L62 S63 | F55-L59 HydrophobicContact CD1-CD1 3.81Å; F55-L59 HydrophobicContact CD1-CG 4.38Å; F55-L59 HydrophobicContact CE1-CD1 3.44Å; F55-L59 VanDerWaalsContact CE1-CD1 3.44Å; F55-L59 HydrophobicContact CE1-CG 4.12Å; F55-L59 HydrophobicContact CZ-CD1 3.99Å; F55-L59 HydrophobicContact CZ-CD2 4.4Å; F55-L59 HydrophobicContact CZ-CG 4.27Å; F55-L59 WeakPolarHBondContact O-CG 3.22Å; F55-L59 PolarHBondContact O-N 3.45Å; L56-L59 PolarHBondContact O-N 3.39Å; L59-S61 VanDerWaalsContact C-N 3.3Å; L59-S61 PolarHBondContact O-N 2.87Å; L59-L62 PolarHBondContact O-N 3.04Å; L59-S63 WeakPolarHBondContact O-CB 3.36Å; L59-S63 PolarHBondContact O-N 3.46Å; L59-S63 VanDerWaalsContact O-N 3.09Å; L59-S63 PolarHBondContact O-OG 3.48Å |
| 60 | L | 58.3 | Low | 54.6 | Low | 115 Ų | 115 | 104.9 Ų | 104.9 | 60% | 0.602 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -65.2 | -33.7 | 172.6 | -90.9 | 92.3 | 0 | 0 | 0 | 112.2 | L56 | L56-L60 WeakPolarHBondContact O-CD1 3.34Å; L56-L60 PolarHBondContact O-N 3.24Å |
| 61 | S | 51.9 | Low | 53.2 | Low | 82 Ų | 82 | 109.5 Ų | 109.5 | 57% | 0.573 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -76.9 | -31.1 | 178.5 | -58.9 | 0 | 0 | 0 | 0 | 113 | C57 L58 L59 | C57-S61 VanDerWaalsContact O-CB 3.31Å; C57-S61 WeakPolarHBondContact O-CB 3.45Å; C57-S61 PolarHBondContact O-N 3.48Å; C57-S61 PolarHBondContact O-OG 2.97Å; L58-S61 PolarHBondContact O-N 3.43Å; L58-S61 VanDerWaalsContact O-N 3.17Å; L59-S61 VanDerWaalsContact C-N 3.3Å; L59-S61 PolarHBondContact O-N 2.87Å |
| 62 | L | 48.8 | Very low | 51.5 | Low | 126 Ų | 126 | 112.5 Ų | 112.5 | 66% | 0.66 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -82.1 | -15.1 | 176.6 | -72 | 166.1 | 0 | 0 | 0 | 113.2 | L58 L59 V64 | L58-L62 HydrophobicContact CD1-CD1 4.42Å; L58-L62 HydrophobicContact CD2-CD1 4.37Å; L58-L62 HydrophobicContact CG-CD1 3.85Å; L58-L62 HydrophobicContact CG-CG 4.48Å; L58-L62 WeakPolarHBondContact O-CB 3.46Å; L58-L62 VanDerWaalsContact O-CG 3.29Å; L58-L62 WeakPolarHBondContact O-CG 3.37Å; L58-L62 PolarHBondContact O-N 2.93Å; L59-L62 PolarHBondContact O-N 3.04Å; L62-V64 PolarHBondContact O-N 2.89Å |
| 63 | S | 49.3 | Very low | 49.3 | Very low | 92 Ų | 92 | 120.4 Ų | 120.4 | 64% | 0.643 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | 3.3 | 174.5 | -59.6 | 0 | 0 | 0 | 0 | 113.6 | L59 P65 | L59-S63 WeakPolarHBondContact O-CB 3.36Å; L59-S63 PolarHBondContact O-N 3.46Å; L59-S63 VanDerWaalsContact O-N 3.09Å; L59-S63 PolarHBondContact O-OG 3.48Å; S63-P65 WeakPolarHBondContact O-CD 3.44Å |
| 64 | V | 40.2 | Very low | 47.4 | Very low | 79 Ų | 79 | 122.3 Ų | 122.3 | 48% | 0.479 | 65% | 0.651 | S | S | . | * | S | Bend | trans | -91.4 | 108.5 | 167.8 | -177.1 | 0 | 0 | 0 | 0 | 107.8 | L62 S66 | L62-V64 PolarHBondContact O-N 2.89Å; V64-S66 PolarHBondContact O-N 3.16Å |
| 65 | P | 35.3 | Very low | 45.5 | Very low | 112 Ų | 112 | 124.5 Ų | 124.5 | 73% | 0.727 | 66% | 0.663 | S | S | * | * | trans | -62.6 | 113.2 | 177.1 | 22.5 | -30 | 0 | 0 | 0 | 109.6 | S63 S67 | S63-P65 WeakPolarHBondContact O-CD 3.44Å; P65-S67 PolarHBondContact O-N 3.37Å | ||
| 66 | S | 39.8 | Very low | 43.4 | Very low | 127 Ų | 127 | 122.6 Ų | 122.6 | 89% | 0.888 | 68% | 0.675 | S | S | * | * | trans | -74.3 | 68 | 163.8 | -61.6 | 0 | 0 | 0 | 0 | 108.7 | V64 | V64-S66 PolarHBondContact O-N 3.16Š| ||
| 67 | S | 40.8 | Very low | 41.4 | Very low | 101 Ų | 101 | 126.6 Ų | 126.6 | 71% | 0.706 | 70% | 0.701 | S | S | * | * | trans | -126.4 | 75.9 | 170.2 | -158 | 0 | 0 | 0 | 0 | 109.9 | P65 | P65-S67 PolarHBondContact O-N 3.37Š| ||
| 68 | L | 36.8 | Very low | 39.9 | Very low | 178 Ų | 178 | 129.8 Ų | 129.8 | 93% | 0.932 | 72% | 0.721 | S | S | * | * | trans | -168.9 | 67 | 152.4 | -104.9 | 144 | 0 | 0 | 0 | 106.8 | ||||
| 69 | R | 30.7 | Very low | 38.2 | Very low | 236 Ų | 236 | 130 Ų | 130 | 89% | 0.891 | 73% | 0.731 | S | S | * | * | trans | -118.4 | 96.1 | 160.4 | -152.8 | 174.8 | -173.2 | -168.1 | 0.3 | 106.7 | Q71 | R69-Q71 PolarHBondContact O-N 3.49Š| ||
| 70 | S | 29.8 | Very low | 36.5 | Very low | 118 Ų | 118 | 135.3 Ų | 135.3 | 83% | 0.825 | 75% | 0.754 | S | S | * | * | trans | -50.5 | 124 | 174.4 | -158.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 71 | Q | 28.8 | Very low | 35 | Very low | 181 Ų | 181 | 135.1 Ų | 135.1 | 85% | 0.846 | 76% | 0.762 | S | S | * | * | trans | -75.6 | 135.9 | 161.5 | -141.4 | 88.7 | 13 | 0 | 0 | 107.8 | R69 | R69-Q71 PolarHBondContact O-N 3.49Š| ||
| 72 | D | 30.5 | Very low | 33.9 | Very low | 136 Ų | 136 | 136.9 Ų | 136.9 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | -44.2 | 143 | 177.5 | -88.2 | -71.6 | 0 | 0 | 0 | 116.4 | ||||
| 73 | R | 27.5 | Very low | 33.1 | Very low | 235 Ų | 235 | 142.2 Ų | 142.2 | 89% | 0.887 | 79% | 0.786 | S | S | * | * | trans | -137.1 | 96.8 | 135.9 | -77.7 | -164.6 | 176.9 | 153.5 | -0.8 | 109.6 | ||||
| 74 | H | 33.6 | Very low | 32.1 | Very low | 174 Ų | 174 | 146.4 Ų | 146.4 | 81% | 0.806 | 80% | 0.8 | S | S | * | * | trans | -78.2 | 114.9 | 151.6 | -108.4 | 42.2 | 0 | 0 | 0 | 107 | ||||
| 75 | D | 31.2 | Very low | 31.6 | Very low | 145 Ų | 145 | 147.5 Ų | 147.5 | 78% | 0.775 | 81% | 0.811 | S | S | * | * | trans | -130.3 | 117.2 | 158.1 | -83.4 | -48.6 | 0 | 0 | 0 | 107.8 | ||||
| 76 | G | 29.9 | Very low | 31.4 | Very low | 74 Ų | 74 | 150.7 Ų | 150.7 | 76% | 0.763 | 82% | 0.816 | S | S | * | * | trans | -73.3 | 140.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 77 | V | 29.1 | Very low | 31 | Very low | 128 Ų | 128 | 152.6 Ų | 152.6 | 78% | 0.776 | 82% | 0.815 | S | S | * | * | trans | -85.4 | 132.3 | 173.8 | -179.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 78 | P | 33.8 | Very low | 30.4 | Very low | 116 Ų | 116 | 151.6 Ų | 151.6 | 75% | 0.753 | 82% | 0.822 | S | S | * | * | trans | -108.8 | 119.3 | 148.7 | 29.9 | -17.6 | 0 | 0 | 0 | 109.9 | ||||
| 79 | S | 28.9 | Very low | 30.2 | Very low | 101 Ų | 101 | 148.3 Ų | 148.3 | 71% | 0.706 | 81% | 0.813 | S | S | * | * | trans | -77.8 | 121.4 | 173.2 | -69.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 80 | H | 30.7 | Very low | 30.2 | Very low | 186 Ų | 186 | 143.7 Ų | 143.7 | 86% | 0.861 | 81% | 0.811 | S | S | * | * | trans | -145 | 136.7 | 152.3 | -84.4 | -72 | 0 | 0 | 0 | 111.7 | ||||
| 81 | S | 27.6 | Very low | 30.2 | Very low | 110 Ų | 110 | 143.2 Ų | 143.2 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | trans | -24.2 | 140.4 | 171.4 | -65.1 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 82 | S | 28.3 | Very low | 30.4 | Very low | 120 Ų | 120 | 143.4 Ų | 143.4 | 84% | 0.839 | 81% | 0.809 | S | S | * | * | 169.6 | 157.9 | 98.6 | 46.4 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 83 | R | 32 | Very low | 30.7 | Very low | 238 Ų | 238 | 140 Ų | 140 | 90% | 0.898 | 81% | 0.805 | S | S | * | * | trans | -63.5 | 144.1 | -166.2 | -58.5 | 171.3 | 173.3 | -167.3 | -4.1 | 113 | ||||
| 84 | L | 29 | Very low | 31.6 | Very low | 179 Ų | 179 | 134 Ų | 134 | 94% | 0.937 | 80% | 0.797 | S | S | * | * | trans | -109.5 | 119.9 | 162.8 | -130.9 | 89 | 0 | 0 | 0 | 111 | ||||
| 85 | S | 30.7 | Very low | 31.7 | Very low | 103 Ų | 103 | 136.6 Ų | 136.6 | 72% | 0.72 | 80% | 0.801 | S | S | * | * | trans | -93.3 | 129.7 | 172.1 | -46.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 86 | Q | 29.3 | Very low | 31.7 | Very low | 178 Ų | 178 | 135.5 Ų | 135.5 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | trans | 16 | 137.7 | 141.4 | -80.8 | -176.9 | -23.1 | 0 | 0 | 122.8 | ||||
| 87 | L | 32.3 | Very low | 31.9 | Very low | 167 Ų | 167 | 137.6 Ų | 137.6 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | trans | 110.2 | 129.7 | 135.4 | -78 | 158.4 | 0 | 0 | 0 | 120.5 | ||||
| 88 | G | 28.9 | Very low | 32.1 | Very low | 81 Ų | 81 | 136 Ų | 136 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | trans | 172.8 | 95.5 | 164.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 89 | S | 31.4 | Very low | 32.6 | Very low | 108 Ų | 108 | 136.1 Ų | 136.1 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | trans | -96.9 | 168.3 | -171.2 | 105.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 90 | V | 30.3 | Very low | 33.1 | Very low | 140 Ų | 140 | 137.3 Ų | 137.3 | 85% | 0.848 | 81% | 0.814 | S | S | * | * | trans | 149.5 | 131.8 | 147.4 | 159 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 91 | S | 29.7 | Very low | 33.3 | Very low | 108 Ų | 108 | 137 Ų | 137 | 76% | 0.755 | 82% | 0.818 | S | S | * | * | cis | -164.3 | 154.4 | -2.4 | 169 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 92 | Q | 34.1 | Very low | 33.6 | Very low | 185 Ų | 185 | 136.5 Ų | 136.5 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | trans | -44.6 | 164.9 | 175.6 | -59.5 | -75.6 | -21.6 | 0 | 0 | 118.7 | ||||
| 93 | G | 35.6 | Very low | 33.8 | Very low | 64 Ų | 64 | 140.1 Ų | 140.1 | 66% | 0.66 | 82% | 0.818 | S | S | * | * | cis | 178.6 | -153.7 | 9.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 94 | P | 46.8 | Very low | 33.9 | Very low | 108 Ų | 108 | 135 Ų | 135 | 70% | 0.701 | 81% | 0.813 | S | S | * | * | cis | -131.1 | 156 | -32.7 | 39.2 | -22.8 | 0 | 0 | 0 | 114.4 | ||||
| 95 | Y | 35.7 | Very low | 34.6 | Very low | 230 Ų | 230 | 132 Ų | 132 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | trans | 173.4 | 147.4 | 132.7 | -85.5 | -61.6 | 0 | 0 | 0 | 110.7 | ||||
| 96 | S | 31.9 | Very low | 34.6 | Very low | 121 Ų | 121 | 132.5 Ų | 132.5 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | trans | -81.4 | 162.6 | -148.5 | -72 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 97 | S | 33.4 | Very low | 35 | Very low | 118 Ų | 118 | 129.8 Ų | 129.8 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | trans | -74.7 | 159.8 | -178.7 | 46.8 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 98 | A | 33.9 | Very low | 35.4 | Very low | 95 Ų | 95 | 129 Ų | 129 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | trans | -138 | 155.9 | 156.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 99 | P | 43.5 | Very low | 36 | Very low | 119 Ų | 119 | 134.7 Ų | 134.7 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -98 | 163.8 | -148.7 | 37.5 | -34.5 | 0 | 0 | 0 | 115.6 | ||
| 100 | P | 39.3 | Very low | 36.9 | Very low | 125 Ų | 125 | 138 Ų | 138 | 81% | 0.812 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -90 | 134.5 | 172.2 | 34.7 | -28.5 | 0 | 0 | 0 | 111.6 | ||
| 101 | L | 35.3 | Very low | 37.9 | Very low | 181 Ų | 181 | 136.1 Ų | 136.1 | 95% | 0.948 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 121.6 | 170.2 | -78.3 | 164.1 | 0 | 0 | 0 | 110.1 | ||
| 102 | S | 33.1 | Very low | 39.2 | Very low | 99 Ų | 99 | 137 Ų | 137 | 69% | 0.692 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 138.3 | 165.5 | -43.4 | 0 | 0 | 0 | 0 | 109.9 | ||
| 103 | H | 33 | Very low | 40.1 | Very low | 196 Ų | 196 | 138.1 Ų | 138.1 | 91% | 0.907 | 80% | 0.802 | S | S | * | * | trans | 176.9 | 116.2 | 136.8 | -88.7 | -65.6 | 0 | 0 | 0 | 110.1 | ||||
| 104 | T | 35 | Very low | 41 | Very low | 130 Ų | 130 | 144 Ų | 144 | 80% | 0.798 | 81% | 0.81 | S | S | * | * | trans | -83.3 | 171.2 | 159 | 47.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 105 | P | 43.4 | Very low | 41.5 | Very low | 115 Ų | 115 | 143.3 Ų | 143.3 | 75% | 0.747 | 81% | 0.805 | S | S | * | * | cis | -149.3 | -177.1 | 29.8 | 39.3 | -15.3 | 0 | 0 | 0 | 119.4 | ||||
| 106 | S | 31.6 | Very low | 42.3 | Very low | 115 Ų | 115 | 136.9 Ų | 136.9 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | 80.2 | 100.4 | 155 | 42.7 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 107 | S | 36.8 | Very low | 42.9 | Very low | 120 Ų | 120 | 137 Ų | 137 | 84% | 0.839 | 79% | 0.79 | S | S | * | * | -165.5 | 134.3 | 107.1 | -150.4 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 108 | D | 40.7 | Very low | 43.4 | Very low | 151 Ų | 151 | 142 Ų | 142 | 81% | 0.807 | 79% | 0.792 | S | S | * | * | trans | -59.9 | 131.1 | -165.6 | -60.3 | -79.8 | 0 | 0 | 0 | 116.7 | ||||
| 109 | F | 41.5 | Very low | 43.9 | Very low | 201 Ų | 201 | 145.5 Ų | 145.5 | 88% | 0.882 | 79% | 0.792 | S | S | * | * | trans | -114.5 | 102.3 | 160.9 | -154.6 | -91 | 0 | 0 | 0 | 108.3 | ||||
| 110 | Q | 49.7 | Very low | 43.6 | Very low | 176 Ų | 176 | 146 Ų | 146 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 119.9 | 176.2 | -119.9 | 167.3 | -19.3 | 0 | 0 | 109.3 | ||
| 111 | P | 51.8 | Low | 43.6 | Very low | 102 Ų | 102 | 147.5 Ų | 147.5 | 66% | 0.662 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 149.9 | 169.5 | 28.7 | -31.7 | 0 | 0 | 0 | 110.5 | Y113 | P111-Y113 PolarHBondContact O-N 3.4Š|
| 112 | P | 57.2 | Low | 43.8 | Very low | 125 Ų | 125 | 143.5 Ų | 143.5 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 118.8 | -174.8 | 24.6 | -31.2 | 0 | 0 | 0 | 111.3 | ||
| 113 | Y | 53.4 | Low | 43.7 | Very low | 210 Ų | 210 | 148.6 Ų | 148.6 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 124.6 | 175 | -166.2 | -98.6 | 0 | 0 | 0 | 110.2 | P111 | P111-Y113 PolarHBondContact O-N 3.4Š|
| 114 | F | 53.5 | Low | 43.7 | Very low | 188 Ų | 188 | 147.4 Ų | 147.4 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 125.6 | 171.7 | -110.9 | -97.8 | 0 | 0 | 0 | 109.1 | ||
| 115 | P | 58.3 | Low | 43.7 | Very low | 92 Ų | 92 | 150.3 Ų | 150.3 | 60% | 0.597 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 146.1 | 176.6 | 29.2 | -32.1 | 0 | 0 | 0 | 111 | ||
| 116 | P | 52.2 | Low | 43.3 | Very low | 95 Ų | 95 | 149.9 Ų | 149.9 | 62% | 0.617 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 155.6 | 175.3 | 28.6 | -32.8 | 0 | 0 | 0 | 111.4 | Y118 | P116-Y118 PolarHBondContact O-N 3.03Š|
| 117 | P | 44.4 | Very low | 43.4 | Very low | 124 Ų | 124 | 153.1 Ų | 153.1 | 81% | 0.805 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 130.6 | -179.6 | 27.4 | -32.2 | 0 | 0 | 0 | 110.7 | Q119 | P117-Q119 PolarHBondContact O-N 3.2Š|
| 118 | Y | 43.3 | Very low | 43.2 | Very low | 222 Ų | 222 | 154.5 Ų | 154.5 | 87% | 0.871 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 123.4 | -179.9 | -76.1 | -92.8 | 0 | 0 | 0 | 112.1 | P116 | P116-Y118 PolarHBondContact O-N 3.03Š|
| 119 | Q | 44.3 | Very low | 43.1 | Very low | 169 Ų | 169 | 151.9 Ų | 151.9 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 135.6 | 155.8 | -75 | -173.4 | -18.1 | 0 | 0 | 108.9 | P117 | P117-Q119 PolarHBondContact O-N 3.2Š|
| 120 | P | 38.9 | Very low | 43 | Very low | 129 Ų | 129 | 152.4 Ų | 152.4 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 121.6 | 175.3 | 31.4 | -27.9 | 0 | 0 | 0 | 110.3 | ||
| 121 | L | 38 | Very low | 42.5 | Very low | 158 Ų | 158 | 149.4 Ų | 149.4 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | trans | -131.4 | 153.5 | 163.3 | -79.7 | 173.9 | 0 | 0 | 0 | 110.2 | ||||
| 122 | P | 38.8 | Very low | 42.1 | Very low | 96 Ų | 96 | 151.1 Ų | 151.1 | 62% | 0.623 | 77% | 0.771 | S | S | * | * | trans | -105.9 | 168.5 | -147.5 | 32.4 | -19.2 | 0 | 0 | 0 | 114.7 | ||||
| 123 | Y | 31.9 | Very low | 41.3 | Very low | 207 Ų | 207 | 152.3 Ų | 152.3 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | trans | 82.6 | 145.8 | 170.9 | -64.1 | -88.9 | 0 | 0 | 0 | 116.1 | ||||
| 124 | H | 33.8 | Very low | 40.5 | Very low | 170 Ų | 170 | 149.8 Ų | 149.8 | 79% | 0.787 | 78% | 0.777 | S | S | * | * | cis | -150 | 146 | 26 | -128.9 | -86.4 | 0 | 0 | 0 | 110 | ||||
| 125 | Q | 34.2 | Very low | 39.5 | Very low | 191 Ų | 191 | 148 Ų | 148 | 89% | 0.893 | 78% | 0.776 | S | S | * | * | trans | -78.4 | 126.3 | 178.5 | -165 | 177.5 | 41 | 0 | 0 | 110.3 | ||||
| 126 | S | 34.2 | Very low | 38.5 | Very low | 107 Ų | 107 | 148 Ų | 148 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | trans | -119.9 | 127.7 | 170.9 | 53 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 127 | Q | 35.2 | Very low | 37.7 | Very low | 183 Ų | 183 | 154.9 Ų | 154.9 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | trans | -53.1 | 139.5 | 175.5 | -102.9 | 101.7 | -10.4 | 0 | 0 | 113.5 | ||||
| 128 | D | 32.7 | Very low | 37.3 | Very low | 148 Ų | 148 | 154.1 Ų | 154.1 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | trans | -121.8 | 139.1 | 155.9 | -93.8 | -44.8 | 0 | 0 | 0 | 110.9 | ||||
| 129 | P | 38.6 | Very low | 36.9 | Very low | 96 Ų | 96 | 151.9 Ų | 151.9 | 62% | 0.623 | 79% | 0.791 | S | S | * | * | trans | -102 | 16.7 | -156.1 | -0.7 | 24.7 | 0 | 0 | 0 | 116.4 | ||||
| 130 | Y | 38.9 | Very low | 36.4 | Very low | 213 Ų | 213 | 149.6 Ų | 149.6 | 84% | 0.835 | 78% | 0.784 | S | S | * | * | trans | -129.7 | 79.7 | -177.9 | -81.1 | -85.9 | 0 | 0 | 0 | 112.2 | ||||
| 131 | S | 37.9 | Very low | 36.2 | Very low | 112 Ų | 112 | 149.9 Ų | 149.9 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | trans | -132.7 | 54.9 | 174.3 | 61.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 132 | H | 44.6 | Very low | 35.9 | Very low | 138 Ų | 138 | 148.1 Ų | 148.1 | 64% | 0.639 | 78% | 0.777 | S | S | * | * | trans | -134.6 | 76.3 | 172.1 | 35.8 | -91 | 0 | 0 | 0 | 110.6 | ||||
| 133 | V | 40.1 | Very low | 35.6 | Very low | 151 Ų | 151 | 151.7 Ų | 151.7 | 92% | 0.915 | 79% | 0.785 | S | S | * | * | trans | -141.9 | 111.4 | 142.7 | -105.5 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 134 | N | 36.8 | Very low | 35.6 | Very low | 156 Ų | 156 | 150.2 Ų | 150.2 | 83% | 0.834 | 79% | 0.785 | S | S | * | * | trans | -94 | 123.7 | -168 | -155 | 19.2 | 0 | 0 | 0 | 107.9 | ||||
| 135 | D | 32.7 | Very low | 36 | Very low | 150 Ų | 150 | 147.5 Ų | 147.5 | 80% | 0.802 | 78% | 0.783 | S | S | * | * | trans | -99.5 | 120.2 | 166.3 | -121.5 | -19.2 | 0 | 0 | 0 | 108 | Y137 | D135-Y137 PolarHBondContact O-N 3.23Š| ||
| 136 | P | 37.4 | Very low | 35.7 | Very low | 93 Ų | 93 | 146 Ų | 146 | 60% | 0.604 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -84.5 | 114.1 | -173.8 | 31.5 | -29.4 | 0 | 0 | 0 | 109.5 | ||
| 137 | Y | 35.7 | Very low | 35.4 | Very low | 239 Ų | 239 | 148.2 Ų | 148.2 | 94% | 0.937 | 77% | 0.774 | S | S | * | * | trans | 169.3 | 39.4 | 142.7 | -85.9 | -61.1 | 0 | 0 | 0 | 113 | D135 | D135-Y137 PolarHBondContact O-N 3.23Š| ||
| 138 | S | 36.1 | Very low | 35.1 | Very low | 108 Ų | 108 | 148 Ų | 148 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | trans | -113.5 | 116.7 | 170 | 42.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 139 | L | 34 | Very low | 35.4 | Very low | 175 Ų | 175 | 146.5 Ų | 146.5 | 92% | 0.916 | 77% | 0.771 | S | S | * | * | trans | -115.9 | 108.6 | 168.5 | -83.9 | 169.1 | 0 | 0 | 0 | 110.6 | ||||
| 140 | N | 33.5 | Very low | 34.9 | Very low | 122 Ų | 122 | 154.4 Ų | 154.4 | 65% | 0.652 | 79% | 0.789 | S | S | * | * | trans | 14.2 | 146.2 | 152.1 | -75.4 | -3.1 | 0 | 0 | 0 | 123.7 | L142 | N140-L142 HydrophobicContact CB-CD1 4.12Å; N140-L142 WeakPolarHBondContact ND2-CD1 3.47Å | ||
| 141 | P | 34.1 | Very low | 34.4 | Very low | 134 Ų | 134 | 147.9 Ų | 147.9 | 87% | 0.87 | 79% | 0.786 | S | S | * | * | trans | -109.5 | 130.5 | 131 | 33 | -21.1 | 0 | 0 | 0 | 111.4 | ||||
| 142 | L | 31.9 | Very low | 33.8 | Very low | 122 Ų | 122 | 150.3 Ų | 150.3 | 64% | 0.639 | 79% | 0.785 | S | S | * | * | trans | -110.1 | 132.2 | 178.3 | -119.1 | 94.1 | 0 | 0 | 0 | 111.5 | N140 | N140-L142 HydrophobicContact CB-CD1 4.12Å; N140-L142 WeakPolarHBondContact ND2-CD1 3.47Å | ||
| 143 | H | 33.3 | Very low | 33.1 | Very low | 171 Ų | 171 | 152.6 Ų | 152.6 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | trans | 76.8 | 118.5 | 142.8 | -76.6 | 82.8 | 0 | 0 | 0 | 123.9 | ||||
| 144 | Q | 31.3 | Very low | 32.4 | Very low | 175 Ų | 175 | 152.5 Ų | 152.5 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -79.7 | 170 | 140.5 | -111.9 | 177.7 | 6.1 | 0 | 0 | 109.7 | ||||
| 145 | P | 41.8 | Very low | 32.1 | Very low | 113 Ų | 113 | 153 Ų | 153 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | cis | -154.1 | 170.3 | 43.7 | 42.5 | -20 | 0 | 0 | 0 | 120.1 | ||||
| 146 | Q | 28 | Very low | 31.8 | Very low | 161 Ų | 161 | 153.5 Ų | 153.5 | 75% | 0.752 | 77% | 0.765 | S | S | * | * | trans | 86.7 | 135.2 | 134.7 | -112.7 | -168.1 | 33.7 | 0 | 0 | 126.5 | ||||
| 147 | Q | 29 | Very low | 31.5 | Very low | 153 Ų | 153 | 155.3 Ų | 155.3 | 72% | 0.715 | 77% | 0.766 | S | S | * | * | trans | 95.2 | 129.7 | 148.6 | -55.6 | -68.7 | -5.5 | 0 | 0 | 122.4 | ||||
| 148 | H | 27.8 | Very low | 31.2 | Very low | 179 Ų | 179 | 150.6 Ų | 150.6 | 83% | 0.829 | 76% | 0.762 | S | S | * | * | trans | -85.1 | -174 | 168.2 | -56.4 | -82.8 | 0 | 0 | 0 | 111 | ||||
| 149 | P | 40.2 | Very low | 30.9 | Very low | 116 Ų | 116 | 148.3 Ų | 148.3 | 75% | 0.753 | 76% | 0.755 | S | S | * | * | cis | -139.9 | -179.2 | -4 | 36.9 | -13.5 | 0 | 0 | 0 | 116.8 | ||||
| 150 | W | 27 | Very low | 30.7 | Very low | 262 Ų | 262 | 145 Ų | 145 | 99% | 0.992 | 75% | 0.746 | S | S | * | * | trans | -12.6 | 143.4 | 168.2 | -64.6 | 85.8 | 0 | 0 | 0 | 123.7 | ||||
| 151 | G | 28.4 | Very low | 30.7 | Very low | 75 Ų | 75 | 147.2 Ų | 147.2 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | trans | 164.3 | 108 | 153.6 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 152 | Q | 26.6 | Very low | 30.5 | Very low | 163 Ų | 163 | 145.9 Ų | 145.9 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | trans | 36.4 | 137.4 | 145.8 | -72.5 | -138.6 | -10.7 | 0 | 0 | 126.7 | ||||
| 153 | R | 29 | Very low | 30.5 | Very low | 187 Ų | 187 | 143.6 Ų | 143.6 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | trans | 78.7 | 116.6 | 139.6 | -79.6 | -177.7 | -172.8 | -113.1 | 6.3 | 119.9 | ||||
| 154 | Q | 26.8 | Very low | 30.3 | Very low | 149 Ų | 149 | 141.1 Ų | 141.1 | 70% | 0.696 | 76% | 0.761 | S | S | * | * | 90.5 | 120.5 | 92.3 | -155.7 | 175.9 | 1.8 | 0 | 0 | 109.5 | |||||
| 155 | R | 29 | Very low | 30.3 | Very low | 167 Ų | 167 | 139.5 Ų | 139.5 | 63% | 0.63 | 76% | 0.757 | S | S | * | * | -179.4 | 162.5 | 58.7 | -166.2 | -172.6 | -168.1 | -78.4 | -6.4 | 109.2 | E157 | R155-E157 IonicContact CZ-OE2 3.89Å; R155-E157 IonicContact NH1-OE2 2.89Å; R155-E157 PolarHBondContact NH1-OE2 3.47Å; R155-E157 IonicContact NH2-OE2 3.98Å | |||
| 156 | Q | 28.2 | Very low | 30 | Very low | 160 Ų | 160 | 141.4 Ų | 141.4 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | trans | 104.4 | 134.9 | 138.7 | -150.8 | 161.2 | 9.8 | 0 | 0 | 116.6 | ||||
| 157 | E | 29.8 | Very low | 30.7 | Very low | 130 Ų | 130 | 139.4 Ų | 139.4 | 61% | 0.607 | 76% | 0.761 | S | S | * | * | cis | -174 | 165.7 | -30.3 | -164.5 | 164.4 | -159.6 | 0 | 0 | 105 | R155 | R155-E157 IonicContact CZ-OE2 3.89Å; R155-E157 IonicContact NH1-OE2 2.89Å; R155-E157 PolarHBondContact NH1-OE2 3.47Å; R155-E157 IonicContact NH2-OE2 3.98Å | ||
| 158 | V | 29.6 | Very low | 30.9 | Very low | 141 Ų | 141 | 139.5 Ų | 139.5 | 86% | 0.855 | 76% | 0.762 | S | S | * | * | trans | 78.8 | 123.5 | 166.1 | -161.8 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 159 | G | 30.6 | Very low | 31.6 | Very low | 60 Ų | 60 | 136.8 Ų | 136.8 | 62% | 0.619 | 76% | 0.76 | S | S | * | * | cis | 162.4 | 152.4 | 5.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 160 | S | 29.1 | Very low | 31.2 | Very low | 104 Ų | 104 | 142.1 Ų | 142.1 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | trans | 82.3 | 130.5 | 148.5 | -70.3 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 161 | E | 32.5 | Very low | 31.4 | Very low | 170 Ų | 170 | 134.2 Ų | 134.2 | 79% | 0.794 | 76% | 0.755 | S | S | * | * | cis | -156.1 | 149.7 | -5.1 | -46.3 | -135.4 | 130.6 | 0 | 0 | 110 | ||||
| 162 | A | 31.8 | Very low | 31.5 | Very low | 106 Ų | 106 | 135.7 Ų | 135.7 | 88% | 0.876 | 76% | 0.76 | S | S | * | * | trans | 48 | 135.4 | 142.2 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 163 | G | 30.2 | Very low | 31.7 | Very low | 73 Ų | 73 | 135 Ų | 135 | 75% | 0.753 | 76% | 0.761 | S | S | * | * | cis | 161.2 | 154.5 | 4.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 164 | S | 28.9 | Very low | 32.5 | Very low | 119 Ų | 119 | 132.1 Ų | 132.1 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | trans | 68.4 | 149.8 | 153.8 | -96.8 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 165 | L | 32 | Very low | 32.8 | Very low | 141 Ų | 141 | 132.5 Ų | 132.5 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | cis | 169.6 | 133.6 | -40.9 | -103 | 179.1 | 0 | 0 | 0 | 106.5 | ||||
| 166 | L | 35.6 | Very low | 32.9 | Very low | 153 Ų | 153 | 132.4 Ų | 132.4 | 80% | 0.801 | 78% | 0.779 | S | S | * | * | trans | 77.3 | 164.1 | 156.3 | -57 | 172 | 0 | 0 | 0 | 120.3 | ||||
| 167 | P | 41.9 | Very low | 33 | Very low | 119 Ų | 119 | 130.2 Ų | 130.2 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | cis | -136 | 178.9 | -37.7 | 34 | -14 | 0 | 0 | 0 | 115.4 | ||||
| 168 | Q | 33.4 | Very low | 32.9 | Very low | 156 Ų | 156 | 127.4 Ų | 127.4 | 73% | 0.729 | 79% | 0.787 | S | S | * | * | trans | -41.8 | 169.4 | 171.1 | -106.7 | -150.5 | 43.6 | 0 | 0 | 118.5 | ||||
| 169 | P | 44.3 | Very low | 33.1 | Very low | 121 Ų | 121 | 129.3 Ų | 129.3 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | -156.5 | -177.7 | 57.1 | 40 | -14.9 | 0 | 0 | 0 | 120.6 | |||||
| 170 | R | 31.4 | Very low | 33.4 | Very low | 229 Ų | 229 | 132.7 Ų | 132.7 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | trans | -63.9 | 157.7 | 179.2 | -71.4 | 172.4 | 139.5 | 125.9 | -5.7 | 118 | ||||
| 171 | A | 31.3 | Very low | 34.2 | Very low | 96 Ų | 96 | 133.4 Ų | 133.4 | 79% | 0.793 | 80% | 0.798 | S | S | * | * | trans | -168.6 | 118.6 | 136.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 172 | A | 29.1 | Very low | 34.2 | Very low | 105 Ų | 105 | 135.5 Ų | 135.5 | 87% | 0.868 | 80% | 0.799 | S | S | * | * | 81.3 | 120.5 | 74 | 0 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 173 | L | 32.3 | Very low | 34.2 | Very low | 149 Ų | 149 | 142.5 Ų | 142.5 | 78% | 0.78 | 80% | 0.802 | S | S | * | * | trans | -66.7 | 166.4 | 173.8 | -113.2 | 156.8 | 0 | 0 | 0 | 112 | Q175 | L173-Q175 HydrophobicContact CD2-CG 4.25Š| ||
| 174 | P | 44.6 | Very low | 34.2 | Very low | 126 Ų | 126 | 145.2 Ų | 145.2 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | -153 | 165.2 | 78.8 | 36.8 | -14.4 | 0 | 0 | 0 | 119 | |||||
| 175 | Q | 33.5 | Very low | 34.1 | Very low | 157 Ų | 157 | 150.9 Ų | 150.9 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | trans | -72.5 | 161.2 | 167.3 | -72.7 | -100.8 | -40.5 | 0 | 0 | 113.9 | L173 | L173-Q175 HydrophobicContact CD2-CG 4.25Š| ||
| 176 | L | 30.8 | Very low | 34.2 | Very low | 165 Ų | 165 | 152.5 Ų | 152.5 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | trans | 176.6 | 111.6 | 142 | -91.6 | 161.1 | 0 | 0 | 0 | 108.1 | ||||
| 177 | S | 29.4 | Very low | 33.9 | Very low | 114 Ų | 114 | 150.4 Ų | 150.4 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | 70.8 | 127.5 | 86.4 | -70.2 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 178 | G | 29 | Very low | 33.4 | Very low | 71 Ų | 71 | 151.1 Ų | 151.1 | 73% | 0.732 | 81% | 0.808 | S | S | * | * | trans | 145.7 | 87.5 | 146.9 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 179 | L | 33.2 | Very low | 33.3 | Very low | 182 Ų | 182 | 155 Ų | 155 | 95% | 0.953 | 82% | 0.816 | S | S | * | * | trans | 63.2 | 126.9 | 133.7 | -54.9 | 175.7 | 0 | 0 | 0 | 124.4 | ||||
| 180 | D | 37 | Very low | 32.8 | Very low | 130 Ų | 130 | 158.7 Ų | 158.7 | 70% | 0.695 | 81% | 0.814 | S | S | * | * | trans | -67.5 | 165.7 | 164.4 | -144.2 | -29.2 | 0 | 0 | 0 | 111.9 | R182 | D180-R182 PolarHBondContact OD1-N 2.91Š| ||
| 181 | P | 45 | Very low | 33.1 | Very low | 120 Ų | 120 | 153.7 Ų | 153.7 | 78% | 0.779 | 81% | 0.811 | S | S | * | * | -151.8 | 129.6 | 85.3 | 31 | -8.4 | 0 | 0 | 0 | 118 | |||||
| 182 | R | 32.9 | Very low | 33 | Very low | 214 Ų | 214 | 154.5 Ų | 154.5 | 81% | 0.808 | 80% | 0.802 | S | S | * | * | 31.7 | 126.2 | 128.6 | -70.3 | -166.1 | 163.3 | 127.5 | 1.3 | 120.5 | D180 | D180-R182 PolarHBondContact OD1-N 2.91Š| |||
| 183 | R | 33.2 | Very low | 33.2 | Very low | 252 Ų | 252 | 156.3 Ų | 156.3 | 95% | 0.951 | 80% | 0.802 | S | S | * | * | trans | -133.2 | 130.8 | 148.9 | -121.8 | -174 | -157.1 | -126.9 | 4.6 | 111.7 | ||||
| 184 | D | 29.6 | Very low | 33.3 | Very low | 131 Ų | 131 | 156 Ų | 156 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | trans | -70.6 | 146.8 | -172.1 | -56.1 | -75.9 | 0 | 0 | 0 | 114.8 | ||||
| 185 | Y | 26.9 | Very low | 32.8 | Very low | 237 Ų | 237 | 156 Ų | 156 | 93% | 0.929 | 79% | 0.793 | S | S | * | * | trans | -110.3 | 112 | 161.1 | -120 | -90 | 0 | 0 | 0 | 107.8 | ||||
| 186 | H | 32.9 | Very low | 32.6 | Very low | 176 Ų | 176 | 156.2 Ų | 156.2 | 82% | 0.815 | 79% | 0.794 | S | S | * | * | trans | -108.9 | 129.9 | 164.2 | -96.2 | -72.6 | 0 | 0 | 0 | 110.2 | ||||
| 187 | S | 30.3 | Very low | 32.3 | Very low | 108 Ų | 108 | 153.3 Ų | 153.3 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | trans | -54.3 | 138.1 | 179.6 | -37.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 188 | V | 31.5 | Very low | 32.3 | Very low | 134 Ų | 134 | 151.5 Ų | 151.5 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | trans | -152.5 | 109.3 | 145.9 | -178.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 189 | R | 31.4 | Very low | 32.5 | Very low | 237 Ų | 237 | 156.5 Ų | 156.5 | 89% | 0.894 | 78% | 0.783 | S | S | * | * | trans | 61.4 | 124.3 | 140.2 | -65.3 | -165.5 | -178.7 | 174.2 | 3.1 | 125.3 | ||||
| 190 | R | 33 | Very low | 32.4 | Very low | 199 Ų | 199 | 157.2 Ų | 157.2 | 75% | 0.751 | 78% | 0.781 | S | S | * | * | trans | -45.3 | 156.5 | 143.3 | -76.2 | -172.7 | 173.5 | 169.3 | -1.2 | 114.2 | D192 | R190-D192 WeakPolarHBondContact CD-OD2 3.25Å; R190-D192 IonicContact NH1-OD2 2.73Å; R190-D192 PolarHBondContact NH1-OD2 3.19Å | ||
| 191 | P | 37.1 | Very low | 32 | Very low | 124 Ų | 124 | 154.2 Ų | 154.2 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | trans | -112.8 | 112.8 | 139.3 | 4.1 | 17.1 | 0 | 0 | 0 | 111 | ||||
| 192 | D | 29.7 | Very low | 31.5 | Very low | 113 Ų | 113 | 157.1 Ų | 157.1 | 60% | 0.604 | 79% | 0.789 | S | S | * | * | trans | -80.2 | 123 | 154.6 | -76.6 | -66 | 0 | 0 | 0 | 107.2 | R190 | R190-D192 WeakPolarHBondContact CD-OD2 3.25Å; R190-D192 IonicContact NH1-OD2 2.73Å; R190-D192 PolarHBondContact NH1-OD2 3.19Å | ||
| 193 | V | 33.9 | Very low | 31.4 | Very low | 143 Ų | 143 | 154.1 Ų | 154.1 | 87% | 0.867 | 79% | 0.789 | S | S | * | * | trans | -116.9 | 108 | 160.6 | 174.7 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 194 | L | 35 | Very low | 31.4 | Very low | 142 Ų | 142 | 146.4 Ų | 146.4 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | trans | -119.6 | 129 | 174.1 | -98.7 | 176.2 | 0 | 0 | 0 | 108.1 | ||||
| 195 | L | 33.3 | Very low | 31.3 | Very low | 127 Ų | 127 | 143.5 Ų | 143.5 | 67% | 0.665 | 78% | 0.78 | S | S | * | * | 127.6 | 141.4 | 127.5 | -79.9 | 148.6 | 0 | 0 | 0 | 118.2 | |||||
| 196 | H | 29.4 | Very low | 31.8 | Very low | 161 Ų | 161 | 141.3 Ų | 141.3 | 75% | 0.745 | 78% | 0.78 | S | S | * | * | trans | 93.5 | 126.4 | 156.3 | -55 | 113 | 0 | 0 | 0 | 115.3 | ||||
| 197 | S | 25.4 | Very low | 31.7 | Very low | 104 Ų | 104 | 136 Ų | 136 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | cis | -172.1 | 163 | 12 | -89.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 198 | A | 28.5 | Very low | 31.7 | Very low | 76 Ų | 76 | 138.2 Ų | 138.2 | 63% | 0.628 | 78% | 0.777 | S | S | * | * | trans | 77.8 | 114 | 141.3 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 199 | H | 32.4 | Very low | 31.8 | Very low | 177 Ų | 177 | 136.7 Ų | 136.7 | 82% | 0.819 | 77% | 0.772 | S | S | * | * | 22.1 | 120.9 | 124 | -71.6 | -89.2 | 0 | 0 | 0 | 119.2 | |||||
| 200 | H | 32.4 | Very low | 32 | Very low | 197 Ų | 197 | 132.1 Ų | 132.1 | 91% | 0.912 | 77% | 0.765 | S | S | * | * | trans | -151.6 | 134 | 138.9 | -70.6 | -59.3 | 0 | 0 | 0 | 111.1 | ||||
| 201 | G | 29 | Very low | 31.9 | Very low | 66 Ų | 66 | 127.2 Ų | 127.2 | 68% | 0.68 | 76% | 0.761 | S | S | * | * | trans | -114.6 | -175.4 | 163.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 202 | L | 34.3 | Very low | 31.8 | Very low | 182 Ų | 182 | 128.9 Ų | 128.9 | 95% | 0.953 | 76% | 0.762 | S | S | * | * | trans | 82.3 | 149.4 | -175.2 | -47.4 | 176.8 | 0 | 0 | 0 | 113.6 | ||||
| 203 | D | 30.1 | Very low | 31.9 | Very low | 150 Ų | 150 | 132.7 Ų | 132.7 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | cis | 178.4 | 161.8 | -22.6 | 176.6 | 32.1 | 0 | 0 | 0 | 104.5 | ||||
| 204 | A | 33.2 | Very low | 31.7 | Very low | 91 Ų | 91 | 128.6 Ų | 128.6 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | trans | 67.5 | 141.4 | 167.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 205 | G | 28.5 | Very low | 31.7 | Very low | 69 Ų | 69 | 130.7 Ų | 130.7 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | cis | 136 | 109.6 | 19.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 206 | M | 35.6 | Very low | 31.4 | Very low | 191 Ų | 191 | 128.2 Ų | 128.2 | 94% | 0.941 | 78% | 0.779 | S | S | * | * | trans | -170.3 | 112.7 | 161.3 | -144 | 65.6 | 157.6 | 0 | 0 | 106.1 | ||||
| 207 | G | 31 | Very low | 31.6 | Very low | 65 Ų | 65 | 129.5 Ų | 129.5 | 67% | 0.67 | 78% | 0.784 | S | S | * | * | 92.1 | 81.2 | 57 | 0 | 0 | 0 | 0 | 0 | 107 | |||||
| 208 | D | 31.7 | Very low | 32.6 | Very low | 154 Ų | 154 | 130.6 Ų | 130.6 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | 87.9 | 120.5 | 89.3 | -158.8 | 18.1 | 0 | 0 | 0 | 112.2 | |||||
| 209 | S | 32.5 | Very low | 32.6 | Very low | 102 Ų | 102 | 129.8 Ų | 129.8 | 71% | 0.713 | 79% | 0.788 | S | S | * | * | trans | -165.6 | 95.6 | 150.7 | -152.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 210 | L | 36.6 | Very low | 32.7 | Very low | 142 Ų | 142 | 129.7 Ų | 129.7 | 74% | 0.743 | 79% | 0.791 | S | S | * | * | 61 | 144 | 129.9 | -50 | 175.6 | 0 | 0 | 0 | 120.4 | |||||
| 211 | S | 30.2 | Very low | 32.6 | Very low | 96 Ų | 96 | 127.9 Ų | 127.9 | 67% | 0.671 | 78% | 0.782 | S | S | * | * | cis | -179.7 | 119.3 | -12.3 | -83.6 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 212 | L | 34.4 | Very low | 32.7 | Very low | 159 Ų | 159 | 131.3 Ų | 131.3 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | 38.1 | 116.3 | 100 | -162.7 | 68 | 0 | 0 | 0 | 118.6 | |||||
| 213 | H | 33.5 | Very low | 32.5 | Very low | 193 Ų | 193 | 128 Ų | 128 | 89% | 0.894 | 77% | 0.772 | S | S | * | * | trans | -168.5 | 137.7 | 137.9 | -99.5 | -79.2 | 0 | 0 | 0 | 106 | ||||
| 214 | G | 29 | Very low | 32.5 | Very low | 57 Ų | 57 | 129.8 Ų | 129.8 | 59% | 0.588 | 78% | 0.776 | S | S | * | * | cis | 137.3 | 124.9 | 9 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 215 | L | 35.5 | Very low | 32.4 | Very low | 185 Ų | 185 | 130.8 Ų | 130.8 | 97% | 0.969 | 78% | 0.777 | S | S | * | * | trans | 76.8 | 139.7 | 160.1 | -52.4 | 163.9 | 0 | 0 | 0 | 116.6 | ||||
| 216 | G | 27 | Very low | 32.7 | Very low | 75 Ų | 75 | 134.5 Ų | 134.5 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | cis | 175.7 | 149 | 5.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 217 | H | 33.8 | Very low | 32.8 | Very low | 188 Ų | 188 | 133.3 Ų | 133.3 | 87% | 0.87 | 78% | 0.778 | S | S | * | * | trans | -64.4 | 163.8 | 168.6 | -105.5 | -73.6 | 0 | 0 | 0 | 111.8 | ||||
| 218 | P | 45.6 | Very low | 32.9 | Very low | 128 Ų | 128 | 137.3 Ų | 137.3 | 83% | 0.831 | 78% | 0.784 | S | S | * | * | -145.2 | -175.9 | 54.6 | 33.5 | -9.4 | 0 | 0 | 0 | 113.4 | |||||
| 219 | G | 29.4 | Very low | 33 | Very low | 59 Ų | 59 | 134.3 Ų | 134.3 | 61% | 0.608 | 78% | 0.78 | S | S | * | * | cis | 165.8 | 150.6 | 3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 220 | M | 32.8 | Very low | 32.9 | Very low | 175 Ų | 175 | 137 Ų | 137 | 86% | 0.862 | 79% | 0.787 | S | S | * | * | trans | 63.7 | 148.1 | 154.7 | -52.9 | 164.9 | 54.3 | 0 | 0 | 117.7 | ||||
| 221 | E | 30.1 | Very low | 32.9 | Very low | 159 Ų | 159 | 137 Ų | 137 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | cis | -163.8 | 158.9 | 38.5 | -68.4 | 177.4 | 155 | 0 | 0 | 112.5 | ||||
| 222 | D | 31.1 | Very low | 33.2 | Very low | 138 Ų | 138 | 137.8 Ų | 137.8 | 74% | 0.738 | 79% | 0.793 | S | S | * | * | trans | 54.5 | 116.7 | 147 | -77.1 | -53.7 | 0 | 0 | 0 | 124.3 | ||||
| 223 | V | 30.8 | Very low | 33 | Very low | 111 Ų | 111 | 133.3 Ų | 133.3 | 67% | 0.673 | 79% | 0.786 | S | S | * | * | 80.2 | 113.9 | 86.8 | 169 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 224 | Q | 29.7 | Very low | 33.1 | Very low | 189 Ų | 189 | 132.6 Ų | 132.6 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | 169.3 | 135.6 | 120.1 | -113.4 | 151.8 | -6 | 0 | 0 | 114.6 | |||||
| 225 | S | 31.1 | Very low | 33.2 | Very low | 112 Ų | 112 | 137.9 Ų | 137.9 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | trans | -73.1 | 152.8 | 168.8 | -40.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 226 | V | 35.8 | Very low | 33 | Very low | 147 Ų | 147 | 135.7 Ų | 135.7 | 89% | 0.891 | 79% | 0.788 | S | S | * | * | trans | -160 | 145 | 132.2 | -160.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 227 | E | 36.3 | Very low | 33.5 | Very low | 165 Ų | 165 | 138.9 Ų | 138.9 | 77% | 0.771 | 79% | 0.787 | S | S | * | * | trans | -86 | 166.9 | -176.2 | -62.9 | 158.6 | 126.4 | 0 | 0 | 115.5 | ||||
| 228 | D | 34.9 | Very low | 33.4 | Very low | 149 Ų | 149 | 135.2 Ų | 135.2 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | trans | 82.7 | 130.7 | 136.5 | -82.5 | -29.2 | 0 | 0 | 0 | 125.9 | ||||
| 229 | A | 32.5 | Very low | 32.7 | Very low | 91 Ų | 91 | 137 Ų | 137 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | trans | 57.7 | 121.6 | 135.9 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 230 | N | 31.6 | Very low | 32.9 | Very low | 159 Ų | 159 | 140.2 Ų | 140.2 | 85% | 0.85 | 78% | 0.784 | S | S | * | * | -163.4 | 143.2 | 108.5 | -151.3 | 5 | 0 | 0 | 0 | 113.8 | |||||
| 231 | N | 36.1 | Very low | 32.7 | Very low | 141 Ų | 141 | 138 Ų | 138 | 75% | 0.754 | 78% | 0.78 | S | S | * | * | trans | -104.4 | 148.5 | 179.5 | -173.4 | 16.8 | 0 | 0 | 0 | 109 | ||||
| 232 | S | 36.2 | Very low | 33.2 | Very low | 114 Ų | 114 | 137.5 Ų | 137.5 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | trans | -166.5 | 122.1 | 163.6 | -66.2 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 233 | G | 31 | Very low | 33.4 | Very low | 65 Ų | 65 | 140.5 Ų | 140.5 | 67% | 0.67 | 79% | 0.787 | S | S | * | * | cis | 125.5 | 96.7 | 19.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 234 | M | 34.9 | Very low | 33.5 | Very low | 177 Ų | 177 | 144.7 Ų | 144.7 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | trans | 45.3 | 129.6 | 154.6 | -98.9 | 67 | 141 | 0 | 0 | 122.6 | ||||
| 235 | N | 30.2 | Very low | 33.7 | Very low | 169 Ų | 169 | 141.5 Ų | 141.5 | 90% | 0.904 | 79% | 0.789 | S | S | * | * | -153.3 | 149.6 | 122.1 | -122.8 | -68.4 | 0 | 0 | 0 | 112.8 | |||||
| 236 | L | 32.8 | Very low | 34 | Very low | 139 Ų | 139 | 141.8 Ų | 141.8 | 73% | 0.728 | 79% | 0.788 | S | S | * | * | trans | -127.1 | 160.7 | -160.3 | -170.4 | 78.7 | 0 | 0 | 0 | 109.4 | ||||
| 237 | L | 36 | Very low | 34.2 | Very low | 142 Ų | 142 | 140.8 Ų | 140.8 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | trans | 81.3 | 140.9 | 168.3 | -101.5 | 84 | 0 | 0 | 0 | 116.8 | ||||
| 238 | D | 32.3 | Very low | 34.3 | Very low | 110 Ų | 110 | 137.8 Ų | 137.8 | 59% | 0.588 | 78% | 0.778 | S | S | * | * | cis | -166.9 | 162.3 | 6.7 | -149.4 | -22 | 0 | 0 | 0 | 111.5 | ||||
| 239 | Q | 30.1 | Very low | 34.7 | Very low | 166 Ų | 166 | 136.7 Ų | 136.7 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | trans | 58.1 | 116.5 | 150.3 | -87.4 | 162.6 | 73.7 | 0 | 0 | 123.3 | ||||
| 240 | S | 33.6 | Very low | 34.7 | Very low | 126 Ų | 126 | 142 Ų | 142 | 88% | 0.881 | 79% | 0.785 | S | S | * | * | -176 | 153.6 | 117.3 | 53 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 241 | V | 30.1 | Very low | 34.7 | Very low | 128 Ų | 128 | 139.1 Ų | 139.1 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | trans | -95.5 | 137 | -163.3 | 168.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 242 | I | 40.8 | Very low | 35.2 | Very low | 150 Ų | 150 | 139.1 Ų | 139.1 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | trans | 36.2 | 115 | 151.8 | -51.4 | 164.9 | 0 | 0 | 0 | 118.3 | ||||
| 243 | K | 34.1 | Very low | 35.4 | Very low | 200 Ų | 200 | 139.4 Ų | 139.4 | 87% | 0.87 | 78% | 0.778 | S | S | * | * | -175.1 | 126.6 | 123.8 | -103.7 | 158 | -175.1 | 169.3 | 0 | 113.9 | |||||
| 244 | K | 33.1 | Very low | 35.6 | Very low | 200 Ų | 200 | 140.9 Ų | 140.9 | 87% | 0.87 | 78% | 0.779 | S | S | * | * | trans | 71.6 | 109.9 | 141 | -141.1 | 174.3 | -174.2 | -179.9 | 0 | 118.7 | P246 | K244-P246 WeakPolarHBondContact O-CD 3.47Š| ||
| 245 | V | 35.3 | Very low | 36 | Very low | 121 Ų | 121 | 139.4 Ų | 139.4 | 73% | 0.733 | 77% | 0.774 | S | S | * | * | trans | -56.2 | 137 | 167.8 | 179.2 | 0 | 0 | 0 | 0 | 111.9 | V247 | V245-V247 HydrophobicContact CG1-CG2 3.92Š| ||
| 246 | P | 35.7 | Very low | 36.5 | Very low | 118 Ų | 118 | 138.3 Ų | 138.3 | 77% | 0.766 | 77% | 0.765 | S | S | * | * | trans | -119.8 | 130.9 | 132.1 | -0.7 | 21.8 | 0 | 0 | 0 | 111 | K244 | K244-P246 WeakPolarHBondContact O-CD 3.47Š| ||
| 247 | V | 41.6 | Very low | 37.2 | Very low | 126 Ų | 126 | 140.3 Ų | 140.3 | 76% | 0.764 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 125.6 | 177.8 | -156.8 | 0 | 0 | 0 | 0 | 109 | V245 | V245-V247 HydrophobicContact CG1-CG2 3.92Š|
| 248 | P | 38 | Very low | 36.8 | Very low | 103 Ų | 103 | 140.3 Ų | 140.3 | 67% | 0.669 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 146.7 | 169.7 | 30.3 | -29.8 | 0 | 0 | 0 | 110.9 | K250 | P248-K250 PolarHBondContact O-N 3.21Š|
| 249 | P | 42.3 | Very low | 37.2 | Very low | 125 Ų | 125 | 144 Ų | 144 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 125.6 | 176.5 | 29.1 | -31.3 | 0 | 0 | 0 | 109.3 | S251 | P249-S251 PolarHBondContact O-N 3.37Å; P249-S251 VanDerWaalsContact O-N 3.09Å |
| 250 | K | 33.9 | Very low | 37.5 | Very low | 204 Ų | 204 | 142.7 Ų | 142.7 | 89% | 0.887 | 78% | 0.783 | S | S | * | * | trans | -62.5 | 112.3 | 175.3 | -68 | 179.1 | 178.9 | 176.8 | 0 | 109.3 | P248 | P248-K250 PolarHBondContact O-N 3.21Š| ||
| 251 | S | 31.5 | Very low | 37.5 | Very low | 98 Ų | 98 | 140.4 Ų | 140.4 | 69% | 0.685 | 78% | 0.778 | S | S | * | * | trans | -61.3 | 133.8 | 164.3 | 53 | 0 | 0 | 0 | 0 | 109.5 | P249 T253 | P249-S251 PolarHBondContact O-N 3.37Å; P249-S251 VanDerWaalsContact O-N 3.09Å; S251-T253 PolarHBondContact O-N 3.12Å | ||
| 252 | V | 45.8 | Very low | 38 | Very low | 140 Ų | 140 | 144 Ų | 144 | 85% | 0.848 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -82.7 | 26.5 | 174.4 | -77 | 0 | 0 | 0 | 0 | 112.2 | ||
| 253 | T | 39.9 | Very low | 38 | Very low | 120 Ų | 120 | 144.6 Ų | 144.6 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | trans | -107.6 | 67.5 | -175.5 | -35.7 | 0 | 0 | 0 | 0 | 109.8 | S251 | S251-T253 PolarHBondContact O-N 3.12Š| ||
| 254 | S | 36.6 | Very low | 38.1 | Very low | 97 Ų | 97 | 138.6 Ų | 138.6 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | trans | -158.5 | 76.6 | 158.3 | -162.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 255 | L | 43.4 | Very low | 38.4 | Very low | 146 Ų | 146 | 133.6 Ų | 133.6 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | trans | -113.8 | 31.4 | 158.5 | -65 | 175.5 | 0 | 0 | 0 | 109.5 | ||||
| 256 | M | 40.6 | Very low | 39.3 | Very low | 146 Ų | 146 | 133.5 Ų | 133.5 | 72% | 0.719 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -77 | 129.8 | 159.7 | -70.3 | -176.9 | 153.1 | 0 | 0 | 106.4 | N258 | M256-N258 PolarHBondContact O-N 2.92Š|
| 257 | M | 46.2 | Very low | 40.6 | Very low | 181 Ų | 181 | 132.9 Ų | 132.9 | 89% | 0.892 | 78% | 0.779 | S | S | * | * | trans | -53.5 | 101.1 | -176.4 | -64.6 | -146.9 | 163.1 | 0 | 0 | 110.1 | K259 | M257-K259 PolarHBondContact O-N 3.04Š| ||
| 258 | N | 28.1 | Very low | 42.4 | Very low | 141 Ų | 141 | 128.7 Ų | 128.7 | 75% | 0.754 | 75% | 0.754 | S | S | * | * | trans | -70.8 | 93 | 163 | -155.3 | 4.2 | 0 | 0 | 0 | 105.6 | M256 D260 | M256-N258 PolarHBondContact O-N 2.92Å; N258-D260 PolarHBondContact O-N 2.69Å | ||
| 259 | K | 40.7 | Very low | 44.7 | Very low | 188 Ų | 188 | 128.9 Ų | 128.9 | 82% | 0.817 | 75% | 0.749 | S | S | * | * | trans | -56.8 | 91 | 153.2 | 173.4 | 179.8 | 176.2 | -178.7 | 0 | 105.1 | M257 | M257-K259 PolarHBondContact O-N 3.04Š| ||
| 260 | D | 35.5 | Very low | 46.9 | Very low | 139 Ų | 139 | 124.4 Ų | 124.4 | 74% | 0.743 | 72% | 0.72 | S | S | * | * | trans | 179.3 | 74.3 | 154.5 | -81 | -25.5 | 0 | 0 | 0 | 108.9 | N258 | N258-D260 PolarHBondContact O-N 2.69Š| ||
| 261 | G | 34.9 | Very low | 49.5 | Very low | 77 Ų | 77 | 116.6 Ų | 116.6 | 79% | 0.794 | 70% | 0.697 | S | S | * | * | trans | -102.5 | 74.8 | 160 | 0 | 0 | 0 | 0 | 0 | 108.6 | L263 | G261-L263 PolarHBondContact O-N 3.21Š| ||
| 262 | F | 39.4 | Very low | 52.4 | Low | 203 Ų | 203 | 117 Ų | 117 | 89% | 0.89 | 69% | 0.688 | S | S | * | * | trans | -70.1 | 96.3 | 171.9 | -161.4 | -94 | 0 | 0 | 0 | 108.3 | ||||
| 263 | L | 41 | Very low | 54.7 | Low | 164 Ų | 164 | 113.1 Ų | 113.1 | 86% | 0.859 | 67% | 0.665 | S | S | * | * | S | Bend | trans | 179.7 | 98.7 | 143.7 | -90.4 | 177.7 | 0 | 0 | 0 | 108.4 | G261 | G261-L263 PolarHBondContact O-N 3.21Š|
| 264 | G | 37 | Very low | 57.3 | Low | 74 Ų | 74 | 107.7 Ų | 107.7 | 76% | 0.763 | 63% | 0.631 | S | S | * | * | trans | 96 | 94 | 164 | 0 | 0 | 0 | 0 | 0 | 115.9 | M266 | G264-M266 PolarHBondContact O-N 3.22Š| ||
| 265 | G | 39.6 | Very low | 60.1 | Low | 94 Ų | 94 | 104.2 Ų | 104.2 | 97% | 0.969 | 61% | 0.606 | S | S | * | * | trans | -69.9 | 62.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 266 | M | 52.9 | Low | 62.6 | Low | 120 Ų | 120 | 100.6 Ų | 100.6 | 59% | 0.591 | 59% | 0.593 | S | S | * | * | trans | -97.9 | 107.2 | 159.8 | -77.7 | 166.3 | 63.3 | 0 | 0 | 107.8 | G264 V268 | G264-M266 PolarHBondContact O-N 3.22Å; M266-V268 PolarHBondContact O-N 3.47Å | ||
| 267 | S | 63.8 | Low | 65.2 | Low | 104 Ų | 104 | 93.7 Ų | 93.7 | 73% | 0.727 | 56% | 0.559 | S | S | * | * | trans | -61.6 | 106.3 | 168.3 | 56 | 0 | 0 | 0 | 0 | 108.5 | N269 | S267-N269 PolarHBondContact O-N 2.96Å; S267-N269 VanDerWaalsContact O-N 3.16Å | ||
| 268 | V | 79.8 | Confident | 67.4 | Low | 38 Ų | 38 | 88.2 Ų | 88.2 | 23% | 0.23 | 54% | 0.537 | C | S | . | . | trans | -67 | 114.7 | 177.8 | 179.1 | 0 | 0 | 0 | 0 | 108.5 | M266 T270 V294 L337 | M266-V268 PolarHBondContact O-N 3.47Å; V268-T270 VanDerWaalsContact C-N 3.33Å; V268-T270 HydrophobicContact CG1-CG2 4.39Å; V268-T270 WeakPolarHBondContact O-CG2 3.33Å; V268-T270 PolarHBondContact O-N 3.42Å; V268-V294 HydrophobicContact CG1-CG1 3.37Å; V268-L337 HydrophobicContact CG1-CD2 4.17Å; V268-L337 HydrophobicContact CG1-CG 4.49Å; V268-L337 HydrophobicContact CG2-CD2 4.49Å | ||
| 269 | N | 85.6 | Confident | 70.5 | Confident | 107 Ų | 107 | 82.3 Ų | 82.3 | 57% | 0.572 | 51% | 0.509 | S | S | * | . | trans | -73.2 | 84.8 | 177.9 | -69.1 | -54.7 | 0 | 0 | 0 | 110.6 | S267 G271 E272 | S267-N269 PolarHBondContact O-N 2.96Å; S267-N269 VanDerWaalsContact O-N 3.16Å; N269-G271 PolarHBondContact O-N 3.45Å; N269-G271 VanDerWaalsContact O-N 3.09Å; N269-E272 HydrophobicContact CB-CB 4.28Å; N269-E272 VanDerWaalsContact O-CB 3.26Å; N269-E272 WeakPolarHBondContact O-CB 3.26Å; N269-E272 PolarHBondContact O-N 2.91Å | ||
| 270 | T | 88.3 | Confident | 72.9 | Confident | 32 Ų | 32 | 78.5 Ų | 78.5 | 20% | 0.196 | 49% | 0.49 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -19.3 | -171.5 | 64.6 | 0 | 0 | 0 | 0 | 115.3 | V268 E272 G295 Q298 R426 | V268-T270 VanDerWaalsContact C-N 3.33Å; V268-T270 HydrophobicContact CG1-CG2 4.39Å; V268-T270 WeakPolarHBondContact O-CG2 3.33Å; V268-T270 PolarHBondContact O-N 3.42Å; T270-E272 VanDerWaalsContact C-N 3.34Å; T270-G295 WeakPolarHBondContact O-CA 3.3Å; T270-G295 PolarHBondContact O-N 3.35Å; T270-Q298 VanDerWaalsContact CG2-OE1 3.32Å; T270-R426 VanDerWaalsContact CG2-NH2 3.28Å; T270-R426 PolarHBondContact OG1-NE 3.34Å; T270-R426 PolarHBondContact OG1-NH2 2.73Å |
| 271 | G | 88.1 | Confident | 75.4 | Confident | 40 Ų | 40 | 77.4 Ų | 77.4 | 41% | 0.412 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -10.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | N269 | N269-G271 PolarHBondContact O-N 3.45Å; N269-G271 VanDerWaalsContact O-N 3.09Å |
| 272 | E | 92.9 | Very high | 77.7 | Confident | 106 Ų | 106 | 75.3 Ų | 75.3 | 50% | 0.495 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -65.7 | 142.6 | 179.3 | -171.2 | -175.5 | 162.1 | 0 | 0 | 110.8 | N269 T270 F274 T293 V294 | N269-E272 HydrophobicContact CB-CB 4.28Å; N269-E272 VanDerWaalsContact O-CB 3.26Å; N269-E272 WeakPolarHBondContact O-CB 3.26Å; N269-E272 PolarHBondContact O-N 2.91Å; T270-E272 VanDerWaalsContact C-N 3.34Å; E272-F274 PolarHBondContact O-N 3.42Å; E272-T293 CarbonylContact O-C 3.47Å; E272-T293 WeakPolarHBondContact O-CA 3.48Å; E272-T293 WeakPolarHBondContact O-CB 3.37Å; E272-V294 HydrophobicContact CB-CG2 4.01Å; E272-V294 PolarHBondContact O-N 2.88Å |
| 273 | V | 94.6 | Very high | 79.9 | Confident | 59 Ų | 59 | 71.9 Ų | 71.9 | 36% | 0.358 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 114.1 | 176.2 | -179.9 | 0 | 0 | 0 | 0 | 109.3 | C275 K291 | V273-C275 WeakPolarHBondContact CG1-O 3.39Å; V273-K291 HydrophobicContact CG1-CB 4.06Å; V273-K291 HydrophobicContact CG1-CG 4.19Å; V273-K291 HydrophobicContact CG2-CB 4.11Å; V273-K291 HydrophobicContact CG2-CD 3.88Å; V273-K291 HydrophobicContact CG2-CG 4.16Å |
| 274 | F | 95.1 | Very high | 81.6 | Confident | 6 Ų | 6 | 72.2 Ų | 72.2 | 3% | 0.026 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | -47.3 | 174.5 | -177.5 | -109.2 | 0 | 0 | 0 | 111.8 | E272 V292 V294 V297 L316 L328 R331 L332 I335 | E272-F274 PolarHBondContact O-N 3.42Å; F274-V292 WeakPolarHBondContact CB-O 3.43Å; F274-V292 PolarHBondContact N-O 3.48Å; F274-V294 HydrophobicContact CB-CG2 4.26Å; F274-V297 HydrophobicContact CB-CG2 4.23Å; F274-V297 HydrophobicContact CD1-CG2 3.94Å; F274-V297 HydrophobicContact CG-CG2 4.12Å; F274-L316 HydrophobicContact CD1-CD1 4.29Å; F274-L316 HydrophobicContact CD1-CD2 4.32Å; F274-L316 HydrophobicContact CE1-CD1 3.73Å; F274-L328 HydrophobicContact CE1-CD1 4.23Å; F274-L328 HydrophobicContact CZ-CD1 4.08Å; F274-R331 HydrophobicContact CE2-CG 3.87Å; F274-R331 HydrophobicContact CZ-CG 4.01Å; F274-R331 PolarHBondContact O-NH2 3.4Å; F274-L332 HydrophobicContact CE2-CD2 3.85Å; F274-L332 HydrophobicContact CZ-CD2 3.77Å; F274-L332 HydrophobicContact CZ-CG 4.4Å; F274-I335 HydrophobicContact CD2-CD1 3.56Å; F274-I335 HydrophobicContact CE2-CD1 3.66Å |
| 275 | C | 95 | Very high | 83.5 | Confident | 24 Ų | 24 | 74 Ų | 74 | 16% | 0.162 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 171.5 | 171.9 | 67.5 | 0 | 0 | 0 | 0 | 111.2 | V273 V292 | V273-C275 WeakPolarHBondContact CG1-O 3.39Å; C275-V292 PolarHBondContact N-O 2.92Å; C275-V292 PolarHBondContact O-N 3.39Å |
| 276 | S | 95.9 | Very high | 85.1 | Confident | 69 Ų | 69 | 73.1 Ų | 73.1 | 48% | 0.483 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 137.6 | 167.6 | -64.2 | 0 | 0 | 0 | 0 | 109.8 | Y290 | S276-Y290 CarbonylContact C-O 3.55Å; S276-Y290 VanDerWaalsContact CA-O 3.28Å; S276-Y290 WeakPolarHBondContact CA-O 3.24Å |
| 277 | V | 94.9 | Very high | 86.2 | Confident | 1 Ų | 1 | 71.6 Ų | 71.6 | 1% | 0.006 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 136.9 | -176 | -64.7 | 0 | 0 | 0 | 0 | 110.7 | K289 Y290 V292 L316 R317 V356 | V277-K289 WeakPolarHBondContact O-CA 3.14Å; V277-Y290 WeakPolarHBondContact CG2-O 3.22Å; V277-Y290 PolarHBondContact N-O 3.43Å; V277-Y290 PolarHBondContact O-N 3.08Å; V277-V292 HydrophobicContact CB-CG2 4.48Å; V277-V292 HydrophobicContact CG1-CG2 3.94Å; V277-V292 HydrophobicContact CG2-CG2 3.68Å; V277-L316 WeakPolarHBondContact CG1-O 3.33Å; V277-R317 HydrophobicContact CB-CG 4.43Å; V277-V356 HydrophobicContact CG2-CB 4.47Å; V277-V356 HydrophobicContact CG2-CG1 3.88Å; V277-V356 HydrophobicContact CG2-CG2 3.82Å |
| 278 | P | 92.5 | Very high | 87.2 | Confident | 67 Ų | 67 | 68.8 Ų | 68.8 | 44% | 0.435 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 133.1 | 177.8 | 28.3 | -34.6 | 0 | 0 | 0 | 110.7 | R317 | P278-R317 VanDerWaalsContact C-NH1 3.28Å; P278-R317 WeakPolarHBondContact O-CD 3.47Å; P278-R317 PolarHBondContact O-NE 3.16Å; P278-R317 PolarHBondContact O-NH1 2.84Å |
| 279 | G | 92.4 | Very high | 87.8 | Confident | 16 Ų | 16 | 74.8 Ų | 74.8 | 17% | 0.165 | 43% | 0.429 | C | S | . | . | trans | -55.1 | 138.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | S288 E359 | G279-S288 PolarHBondContact N-O 3.14Å; G279-E359 VanDerWaalsContact CA-OE1 3.25Å; G279-E359 WeakPolarHBondContact CA-OE1 3.25Å | ||
| 280 | R | 91 | Very high | 88.2 | Confident | 109 Ų | 109 | 71.3 Ų | 71.3 | 41% | 0.411 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -76.6 | -36 | 174.2 | -88.1 | 179.8 | -143.6 | -73.3 | 0.5 | 112.4 | G314 S354 E359 | R280-G314 PolarHBondContact NH2-O 3.33Å; R280-S354 PolarHBondContact NE-O 3.22Å; R280-S354 PolarHBondContact NH2-O 3.28Å; R280-E359 PolarHBondContact N-OE1 3.38Å |
| 281 | L | 88.6 | Confident | 88.6 | Confident | 115 Ų | 115 | 76.6 Ų | 76.6 | 60% | 0.602 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -95.2 | 6 | -177.1 | -55.5 | -179.5 | 0 | 0 | 0 | 112.5 | L355 L363 | L281-L355 HydrophobicContact CD1-CD2 4.12Å; L281-L355 HydrophobicContact CG-CD2 4.34Å; L281-L363 HydrophobicContact CD1-CD1 4.11Å; L281-L363 HydrophobicContact CD1-CD2 4.06Å; L281-L363 HydrophobicContact CD1-CG 4.49Å |
| 282 | S | 84.3 | Confident | 89 | Confident | 34 Ų | 34 | 74.8 Ų | 74.8 | 24% | 0.238 | 41% | 0.409 | C | S | . | . | trans | -84.5 | 135.3 | 180 | -69 | 0 | 0 | 0 | 0 | 111.4 | S286 S288 | S282-S286 WeakPolarHBondContact CB-O 3.4Å; S282-S288 PolarHBondContact OG-N 2.82Å | ||
| 283 | L | 84.9 | Confident | 89.1 | Confident | 131 Ų | 131 | 70.2 Ų | 70.2 | 69% | 0.686 | 39% | 0.389 | S | S | * | . | trans | -73.2 | 155.6 | 169 | -63.1 | 178.9 | 0 | 0 | 0 | 110.7 | S285 S286 T287 | L283-S285 PolarHBondContact O-N 3.46Å; L283-S285 VanDerWaalsContact O-N 3.16Å; L283-S286 CarbonylContact O-C 3.25Å; L283-S286 VanDerWaalsContact O-C 3.25Å; L283-S286 PolarHBondContact O-N 2.87Å; L283-T287 PolarHBondContact O-N 2.98Å | ||
| 284 | L | 77.2 | Confident | 89.1 | Confident | 171 Ų | 171 | 67.5 Ų | 67.5 | 90% | 0.895 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -54.5 | -37.2 | -176.6 | -66.5 | 171.9 | 0 | 0 | 0 | 113 | S286 T287 | L284-S286 VanDerWaalsContact C-N 3.33Å; L284-S286 PolarHBondContact O-N 2.82Å; L284-T287 PolarHBondContact O-OG1 3.3Å |
| 285 | S | 76.6 | Confident | 89.1 | Confident | 110 Ų | 110 | 67.2 Ų | 67.2 | 77% | 0.769 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -74.1 | -19.3 | 178.5 | 56.2 | 0 | 0 | 0 | 0 | 114.3 | L283 | L283-S285 PolarHBondContact O-N 3.46Å; L283-S285 VanDerWaalsContact O-N 3.16Å |
| 286 | S | 73.5 | Confident | 89.2 | Confident | 76 Ų | 76 | 66.2 Ų | 66.2 | 53% | 0.531 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -128.7 | 54.9 | -174.8 | -56.5 | 0 | 0 | 0 | 0 | 110 | S282 L283 L284 S288 | S282-S286 WeakPolarHBondContact CB-O 3.4Å; L283-S286 CarbonylContact O-C 3.25Å; L283-S286 VanDerWaalsContact O-C 3.25Å; L283-S286 PolarHBondContact O-N 2.87Å; L284-S286 VanDerWaalsContact C-N 3.33Å; L284-S286 PolarHBondContact O-N 2.82Å; S286-S288 PolarHBondContact O-N 3.42Å |
| 287 | T | 75.8 | Confident | 89.1 | Confident | 88 Ų | 88 | 62.9 Ų | 62.9 | 54% | 0.54 | 34% | 0.341 | S | S | . | . | trans | -69.4 | 96.6 | -177.9 | -61.6 | 0 | 0 | 0 | 0 | 110.3 | L283 L284 | L283-T287 PolarHBondContact O-N 2.98Å; L284-T287 PolarHBondContact O-OG1 3.3Å | ||
| 288 | S | 84.3 | Confident | 89.1 | Confident | 46 Ų | 46 | 66.5 Ų | 66.5 | 32% | 0.322 | 36% | 0.358 | S | S | . | . | trans | -80 | 136.7 | 172.2 | -60.9 | 0 | 0 | 0 | 0 | 110.3 | G279 S282 S286 | G279-S288 PolarHBondContact N-O 3.14Å; S282-S288 PolarHBondContact OG-N 2.82Å; S286-S288 PolarHBondContact O-N 3.42Å | ||
| 289 | K | 92.1 | Very high | 89.2 | Confident | 164 Ų | 164 | 64.4 Ų | 64.4 | 71% | 0.713 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 130 | 168.9 | -68.8 | -178.2 | -178.1 | 175.5 | 0 | 109.1 | V277 | V277-K289 WeakPolarHBondContact O-CA 3.14Å |
| 290 | Y | 94.8 | Very high | 89.3 | Confident | 33 Ų | 33 | 63.9 Ų | 63.9 | 13% | 0.129 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 133.8 | 179.5 | -64.7 | -88 | 0 | 0 | 0 | 110.2 | S276 V277 V356 G358 E359 H362 | S276-Y290 CarbonylContact C-O 3.55Å; S276-Y290 VanDerWaalsContact CA-O 3.28Å; S276-Y290 WeakPolarHBondContact CA-O 3.24Å; V277-Y290 WeakPolarHBondContact CG2-O 3.22Å; V277-Y290 PolarHBondContact N-O 3.43Å; V277-Y290 PolarHBondContact O-N 3.08Å; Y290-V356 HydrophobicContact CG-CG2 4.26Å; Y290-G358 VanDerWaalsContact CD1-C 3.44Å; Y290-G358 WeakPolarHBondContact CE1-O 3.49Å; Y290-E359 HydrophobicContact CD1-CG 4Å; Y290-E359 HydrophobicContact CD2-CG 3.4Å; Y290-E359 HydrophobicContact CE1-CG 3.99Å; Y290-E359 HydrophobicContact CE2-CG 3.39Å; Y290-E359 HydrophobicContact CG-CG 3.7Å; Y290-H362 HydrophobicContact CE1-CB 4.28Å; Y290-H362 AromaticContact CZ-ND1 3.88Å; Y290-H362 PolarHBondContact OH-ND1 2.95Å |
| 291 | K | 95.5 | Very high | 89.3 | Confident | 144 Ų | 144 | 59.6 Ų | 59.6 | 63% | 0.626 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80 | 123 | 174.7 | -67.6 | 174.1 | 175.8 | -178.4 | 0 | 108.5 | V273 | V273-K291 HydrophobicContact CG1-CB 4.06Å; V273-K291 HydrophobicContact CG1-CG 4.19Å; V273-K291 HydrophobicContact CG2-CB 4.11Å; V273-K291 HydrophobicContact CG2-CD 3.88Å; V273-K291 HydrophobicContact CG2-CG 4.16Å |
| 292 | V | 96.4 | Very high | 89.5 | Confident | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.006 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 120 | 170.2 | -178.1 | 0 | 0 | 0 | 0 | 107.2 | F274 C275 V277 E296 V297 L316 V356 | F274-V292 WeakPolarHBondContact CB-O 3.43Å; F274-V292 PolarHBondContact N-O 3.48Å; C275-V292 PolarHBondContact N-O 2.92Å; C275-V292 PolarHBondContact O-N 3.39Å; V277-V292 HydrophobicContact CB-CG2 4.48Å; V277-V292 HydrophobicContact CG1-CG2 3.94Å; V277-V292 HydrophobicContact CG2-CG2 3.68Å; V292-E296 HydrophobicContact CG1-CB 4.36Å; V292-E296 HydrophobicContact CG1-CG 4.31Å; V292-V297 HydrophobicContact CG1-CG2 3.87Å; V292-L316 HydrophobicContact CB-CD2 4.32Å; V292-L316 HydrophobicContact CG1-CD2 3.82Å; V292-L316 HydrophobicContact CG2-CD2 4.28Å; V292-V356 HydrophobicContact CG2-CB 4.09Å; V292-V356 HydrophobicContact CG2-CG1 3.67Å; V292-V356 HydrophobicContact CG2-CG2 4.42Å |
| 293 | T | 95.8 | Very high | 89.8 | Confident | 11 Ų | 11 | 58.7 Ų | 58.7 | 7% | 0.067 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 160.2 | -178 | 65.2 | 0 | 0 | 0 | 0 | 111.6 | E272 G295 E296 V297 | E272-T293 CarbonylContact O-C 3.47Å; E272-T293 WeakPolarHBondContact O-CA 3.48Å; E272-T293 WeakPolarHBondContact O-CB 3.37Å; T293-G295 PolarHBondContact O-N 3.46Å; T293-E296 PolarHBondContact O-N 3.46Å; T293-E296 PolarHBondContact OG1-N 3.28Å; T293-V297 PolarHBondContact O-N 3.25Å; T293-V297 VanDerWaalsContact O-N 3.12Å |
| 294 | V | 94.9 | Very high | 90.1 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.006 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57.5 | -36.5 | 171.5 | 174.3 | 0 | 0 | 0 | 0 | 110.4 | V268 E272 F274 V297 Q298 I335 L337 | V268-V294 HydrophobicContact CG1-CG1 3.37Å; E272-V294 HydrophobicContact CB-CG2 4.01Å; E272-V294 PolarHBondContact O-N 2.88Å; F274-V294 HydrophobicContact CB-CG2 4.26Å; V294-V297 PolarHBondContact O-N 3.36Å; V294-Q298 WeakPolarHBondContact O-CB 3.46Å; V294-Q298 PolarHBondContact O-N 3.01Å; V294-I335 HydrophobicContact CG1-CD1 4.08Å; V294-I335 HydrophobicContact CG2-CD1 3.92Å; V294-L337 HydrophobicContact CG1-CD1 3.96Å; V294-L337 HydrophobicContact CG1-CG 4.41Å |
| 295 | G | 94.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.2 | -41.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | T270 T293 Q298 R299 | T270-G295 WeakPolarHBondContact O-CA 3.3Å; T270-G295 PolarHBondContact O-N 3.35Å; T293-G295 PolarHBondContact O-N 3.46Å; G295-Q298 PolarHBondContact O-N 3.27Å; G295-R299 WeakPolarHBondContact O-CG 3.39Å; G295-R299 PolarHBondContact O-N 3.05Å |
| 296 | E | 96.3 | Very high | 91.6 | Very high | 3 Ų | 3 | 40.6 Ų | 40.6 | 1% | 0.014 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.8 | -47.3 | 173.9 | 176.2 | 176.9 | -179.6 | 0 | 0 | 110.8 | V292 T293 Q298 R299 R300 V356 E357 | V292-E296 HydrophobicContact CG1-CB 4.36Å; V292-E296 HydrophobicContact CG1-CG 4.31Å; T293-E296 PolarHBondContact O-N 3.46Å; T293-E296 PolarHBondContact OG1-N 3.28Å; E296-Q298 VanDerWaalsContact C-N 3.3Å; E296-Q298 PolarHBondContact O-N 2.88Å; E296-R299 PolarHBondContact O-N 3.45Å; E296-R300 WeakPolarHBondContact O-CG 3.42Å; E296-R300 PolarHBondContact O-N 3.48Å; E296-R300 IonicContact OE1-NE 3.87Å; E296-R300 PolarHBondContact OE1-NE 3.29Å; E296-V356 WeakPolarHBondContact OE1-CA 3.44Å; E296-V356 WeakPolarHBondContact OE1-CB 3.35Å; E296-E357 HydrophobicContact CB-CG 4.5Å; E296-E357 HydrophobicContact CG-CG 3.91Å; E296-E357 PolarHBondContact OE1-N 2.94Å |
| 297 | V | 95.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.9 | -45.9 | 178.1 | 177.8 | 0 | 0 | 0 | 0 | 110.4 | F274 V292 T293 V294 R299 R300 L301 L312 L332 L337 | F274-V297 HydrophobicContact CB-CG2 4.23Å; F274-V297 HydrophobicContact CD1-CG2 3.94Å; F274-V297 HydrophobicContact CG-CG2 4.12Å; V292-V297 HydrophobicContact CG1-CG2 3.87Å; T293-V297 PolarHBondContact O-N 3.25Å; T293-V297 VanDerWaalsContact O-N 3.12Å; V294-V297 PolarHBondContact O-N 3.36Å; V297-R299 PolarHBondContact O-N 3.3Å; V297-R300 PolarHBondContact O-N 3.16Å; V297-L301 HydrophobicContact CG1-CD1 4.21Å; V297-L301 HydrophobicContact CG1-CG 4.36Å; V297-L301 WeakPolarHBondContact O-CG 3.46Å; V297-L301 PolarHBondContact O-N 3.18Å; V297-L312 HydrophobicContact CG1-CD1 4.47Å; V297-L312 HydrophobicContact CG1-CD2 4.02Å; V297-L332 HydrophobicContact CG1-CD2 3.61Å; V297-L337 HydrophobicContact CB-CD1 4.27Å; V297-L337 HydrophobicContact CG1-CD1 3.94Å |
| 298 | Q | 93.9 | Very high | 93.1 | Very high | 76 Ų | 76 | 35.1 Ų | 35.1 | 36% | 0.355 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -56.9 | -48.6 | 177.3 | -172.8 | 179.8 | 23.8 | 0 | 0 | 111.6 | T270 V294 G295 E296 R300 L301 S302 L337 | T270-Q298 VanDerWaalsContact CG2-OE1 3.32Å; V294-Q298 WeakPolarHBondContact O-CB 3.46Å; V294-Q298 PolarHBondContact O-N 3.01Å; G295-Q298 PolarHBondContact O-N 3.27Å; E296-Q298 VanDerWaalsContact C-N 3.3Å; E296-Q298 PolarHBondContact O-N 2.88Å; Q298-R300 VanDerWaalsContact C-N 3.32Å; Q298-R300 PolarHBondContact O-N 3.01Å; Q298-L301 PolarHBondContact O-N 3.33Å; Q298-S302 PolarHBondContact O-N 3.04Å; Q298-S302 VanDerWaalsContact O-N 3.11Å; Q298-S302 PolarHBondContact O-OG 3.32Å; Q298-L337 HydrophobicContact CB-CD1 4.29Å; Q298-L337 HydrophobicContact CB-CD2 4.1Å; Q298-L337 HydrophobicContact CG-CD2 3.99Å |
| 299 | R | 94.6 | Very high | 93.4 | Very high | 24 Ų | 24 | 33.3 Ų | 33.3 | 9% | 0.091 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.5 | -39.5 | 177.6 | -76.1 | -175.2 | -69 | -95.5 | -6.6 | 112.8 | G295 E296 V297 L301 S302 E357 P421 G423 L444 | G295-R299 WeakPolarHBondContact O-CG 3.39Å; G295-R299 PolarHBondContact O-N 3.05Å; E296-R299 PolarHBondContact O-N 3.45Å; V297-R299 PolarHBondContact O-N 3.3Å; R299-L301 VanDerWaalsContact C-N 3.34Å; R299-S302 WeakPolarHBondContact CA-OG 3.39Å; R299-S302 PolarHBondContact O-N 3.44Å; R299-S302 PolarHBondContact O-OG 2.97Å; R299-E357 IonicContact CZ-OE1 3.68Å; R299-E357 IonicContact CZ-OE2 3.53Å; R299-E357 IonicContact NE-OE1 3.36Å; R299-E357 PolarHBondContact NE-OE1 3.48Å; R299-E357 IonicContact NE-OE2 3.08Å; R299-E357 IonicContact NH2-OE1 3.82Å; R299-E357 PolarHBondContact NH2-OE1 2.66Å; R299-E357 IonicContact NH2-OE2 3.87Å; R299-E357 PolarHBondContact NH2-OE2 3.46Å; R299-P421 VanDerWaalsContact CD-O 3.29Å; R299-P421 WeakPolarHBondContact CD-O 3.2Å; R299-P421 PolarHBondContact NE-O 3.05Å; R299-P421 PolarHBondContact NH1-O 3.44Å; R299-G423 PolarHBondContact NH1-O 2.73Å; R299-G423 PolarHBondContact NH2-O 3.31Å; R299-L444 HydrophobicContact CB-CD2 4.26Å; R299-L444 VanDerWaalsContact CD-CD2 3.47Å; R299-L444 HydrophobicContact CG-CD2 4.07Å |
| 300 | R | 94.1 | Very high | 93.2 | Very high | 5 Ų | 5 | 30.4 Ų | 30.4 | 2% | 0.019 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -71.9 | -25.4 | 178.6 | -70.8 | -177.1 | 163.4 | -96.4 | 19 | 113.4 | E296 V297 Q298 E305 C306 L307 T353 L355 H447 | E296-R300 WeakPolarHBondContact O-CG 3.42Å; E296-R300 PolarHBondContact O-N 3.48Å; E296-R300 IonicContact OE1-NE 3.87Å; E296-R300 PolarHBondContact OE1-NE 3.29Å; V297-R300 PolarHBondContact O-N 3.16Å; Q298-R300 VanDerWaalsContact C-N 3.32Å; Q298-R300 PolarHBondContact O-N 3.01Å; R300-E305 WeakPolarHBondContact CG-OE2 3.39Å; R300-E305 IonicContact CZ-OE2 3.93Å; R300-E305 IonicContact NH1-OE1 2.74Å; R300-E305 IonicContact NH1-OE2 3.55Å; R300-E305 PolarHBondContact NH1-OE2 2.93Å; R300-E305 VanDerWaalsContact NH1-OE2 3.08Å; R300-C306 PolarHBondContact O-N 2.97Å; R300-L307 HydrophobicContact CB-CD1 4.01Å; R300-L307 HydrophobicContact CB-CG 4.31Å; R300-L307 HydrophobicContact CG-CD1 4.38Å; R300-L307 PolarHBondContact O-N 2.84Å; R300-T353 PolarHBondContact NH1-O 3.37Å; R300-T353 VanDerWaalsContact NH1-O 3.14Å; R300-T353 PolarHBondContact NH2-O 3.4Å; R300-L355 PolarHBondContact NH2-O 2.83Å; R300-H447 VanDerWaalsContact CZ-CD2 3.42Å; R300-H447 PolarHBondContact NH1-NE2 3.46Å; R300-H447 VanDerWaalsContact NH1-NE2 3.16Å; R300-H447 PolarHBondContact NH2-CD2 3.47Å; R300-H447 VanDerWaalsContact NH2-CD2 3.3Å; R300-H447 PolarHBondContact NH2-NE2 2.95Å; R300-H447 VanDerWaalsContact NH2-NE2 3.11Å |
| 301 | L | 92.4 | Very high | 93 | Very high | 18 Ų | 18 | 31.4 Ų | 31.4 | 9% | 0.094 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -82.4 | -27.4 | 175.5 | -66.4 | -172.7 | 0 | 0 | 0 | 113.2 | V297 Q298 R299 L312 L332 L339 | V297-L301 HydrophobicContact CG1-CD1 4.21Å; V297-L301 HydrophobicContact CG1-CG 4.36Å; V297-L301 WeakPolarHBondContact O-CG 3.46Å; V297-L301 PolarHBondContact O-N 3.18Å; Q298-L301 PolarHBondContact O-N 3.33Å; R299-L301 VanDerWaalsContact C-N 3.34Å; L301-L312 HydrophobicContact CD2-CD2 3.83Å; L301-L312 HydrophobicContact CG-CD2 4.48Å; L301-L332 HydrophobicContact CD1-CD1 4.21Å; L301-L339 HydrophobicContact CD1-CB 4.39Å; L301-L339 HydrophobicContact CD1-CD1 4.42Å; L301-L339 HydrophobicContact CD2-CD1 3.46Å; L301-L339 VanDerWaalsContact CD2-CD1 3.46Å; L301-L339 HydrophobicContact CD2-CD2 4.34Å; L301-L339 HydrophobicContact CD2-CG 4.38Å; L301-L339 HydrophobicContact CG-CD1 4.48Å |
| 302 | S | 91.5 | Very high | 92.9 | Very high | 48 Ų | 48 | 24.6 Ų | 24.6 | 34% | 0.336 | 15% | 0.145 | S | C | . | . | S | Bend | trans | -83.3 | 169.1 | 173.6 | 56 | 0 | 0 | 0 | 0 | 112.4 | Q298 R299 E305 C306 | Q298-S302 PolarHBondContact O-N 3.04Å; Q298-S302 VanDerWaalsContact O-N 3.11Å; Q298-S302 PolarHBondContact O-OG 3.32Å; R299-S302 WeakPolarHBondContact CA-OG 3.39Å; R299-S302 PolarHBondContact O-N 3.44Å; R299-S302 PolarHBondContact O-OG 2.97Å; S302-E305 PolarHBondContact O-N 3.44Å; S302-C306 PolarHBondContact O-N 3.25Å |
| 303 | P | 90.7 | Very high | 92.7 | Very high | 82 Ų | 82 | 25.2 Ų | 25.2 | 53% | 0.532 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | 145.5 | 162.4 | -25.2 | 35.3 | 0 | 0 | 0 | 110.8 | C306 | P303-C306 VanDerWaalsContact N-SG 3.41Š|
| 304 | P | 92.1 | Very high | 92.5 | Very high | 15 Ų | 15 | 26.5 Ų | 26.5 | 10% | 0.097 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -86.6 | -20.9 | 8.7 | 30.2 | -33.2 | 0 | 0 | 0 | 116.3 | A346 A347 H441 L444 I445 | P304-A346 WeakPolarHBondContact O-CB 3.4Å; P304-A347 WeakPolarHBondContact O-CB 3.25Å; P304-A347 PolarHBondContact O-N 3.28Å; P304-H441 VanDerWaalsContact CB-CD2 3.41Å; P304-H441 WeakPolarHBondContact CB-CD2 3.29Å; P304-H441 WeakPolarHBondContact CB-NE2 3.38Å; P304-L444 HydrophobicContact CG-CB 3.87Å; P304-L444 HydrophobicContact CG-CD1 4.42Å; P304-I445 HydrophobicContact CB-CG2 3.95Å; P304-I445 HydrophobicContact CG-CG2 3.5Å; P304-I445 VanDerWaalsContact CG-CG2 3.5Å |
| 305 | E | 92.3 | Very high | 92.5 | Very high | 8 Ų | 8 | 26.8 Ų | 26.8 | 4% | 0.037 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -42.4 | -172.2 | -67.2 | -159.1 | 118.9 | 0 | 0 | 113.1 | R300 S302 L307 A346 T353 H447 | R300-E305 WeakPolarHBondContact CG-OE2 3.39Å; R300-E305 IonicContact CZ-OE2 3.93Å; R300-E305 IonicContact NH1-OE1 2.74Å; R300-E305 IonicContact NH1-OE2 3.55Å; R300-E305 PolarHBondContact NH1-OE2 2.93Å; R300-E305 VanDerWaalsContact NH1-OE2 3.08Å; S302-E305 PolarHBondContact O-N 3.44Å; E305-L307 VanDerWaalsContact C-N 3.32Å; E305-L307 HydrophobicContact CB-CD2 3.94Å; E305-L307 HydrophobicContact CB-CG 4.01Å; E305-L307 PolarHBondContact O-N 3.21Å; E305-A346 PolarHBondContact O-N 2.95Å; E305-T353 WeakPolarHBondContact OE1-CG2 3.41Å; E305-T353 PolarHBondContact OE1-OG1 3.03Å; E305-H447 IonicContact OE1-CE1 3.35Å; E305-H447 PolarHBondContact OE1-CE1 2.88Å; E305-H447 IonicContact OE1-NE2 3.52Å; E305-H447 IonicContact OE2-NE2 3.42Å; E305-H447 PolarHBondContact OE2-NE2 2.72Å |
| 306 | C | 91.9 | Very high | 92.5 | Very high | 9 Ų | 9 | 27.1 Ų | 27.1 | 6% | 0.061 | 17% | 0.171 | C | C | . | . | trans | 48 | 50.1 | -174.6 | -65 | 0 | 0 | 0 | 0 | 113 | R300 S302 P303 A346 | R300-C306 PolarHBondContact O-N 2.97Å; S302-C306 PolarHBondContact O-N 3.25Å; P303-C306 VanDerWaalsContact N-SG 3.41Å; C306-A346 HydrophobicContact CB-CB 3.8Å | ||
| 307 | L | 91.9 | Very high | 92.3 | Very high | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.01 | 18% | 0.18 | C | C | . | . | trans | -60.4 | 142.9 | -175.7 | -63 | -168.8 | 0 | 0 | 0 | 112.1 | R300 E305 L311 V315 T353 | R300-L307 HydrophobicContact CB-CD1 4.01Å; R300-L307 HydrophobicContact CB-CG 4.31Å; R300-L307 HydrophobicContact CG-CD1 4.38Å; R300-L307 PolarHBondContact O-N 2.84Å; E305-L307 VanDerWaalsContact C-N 3.32Å; E305-L307 HydrophobicContact CB-CD2 3.94Å; E305-L307 HydrophobicContact CB-CG 4.01Å; E305-L307 PolarHBondContact O-N 3.21Å; L307-L311 HydrophobicContact CB-CB 4.42Å; L307-L311 HydrophobicContact CD2-CB 4.25Å; L307-L311 HydrophobicContact CD2-CD1 4.16Å; L307-V315 HydrophobicContact CD1-CG2 4.26Å; L307-T353 HydrophobicContact CD2-CG2 4.33Å | ||
| 308 | N | 89.9 | Confident | 91.9 | Very high | 47 Ų | 47 | 33.7 Ų | 33.7 | 25% | 0.251 | 20% | 0.196 | S | C | . | . | trans | -86.1 | 169.2 | 169.3 | 68.9 | 41 | 0 | 0 | 0 | 111.1 | S310 L311 L312 | N308-S310 PolarHBondContact O-N 2.67Å; N308-S310 WeakPolarHBondContact OD1-CB 3.37Å; N308-S310 PolarHBondContact OD1-N 3.46Å; N308-L311 PolarHBondContact O-N 3.16Å; N308-L311 PolarHBondContact OD1-N 2.91Å; N308-L312 WeakPolarHBondContact O-CB 3.44Å; N308-L312 PolarHBondContact O-N 3.35Å | ||
| 309 | A | 89.5 | Confident | 91.3 | Very high | 8 Ų | 8 | 34.4 Ų | 34.4 | 7% | 0.066 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -57.2 | -35 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | G313 L328 L339 | A309-G313 PolarHBondContact O-N 3.31Å; A309-L328 HydrophobicContact CB-CD2 4.42Å; A309-L339 HydrophobicContact CB-CD2 3.66Å |
| 310 | S | 87.8 | Confident | 90.8 | Very high | 103 Ų | 103 | 43.7 Ų | 43.7 | 72% | 0.72 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -70.2 | -45.5 | -179.6 | -55.7 | 0 | 0 | 0 | 0 | 111.5 | N308 G313 G314 | N308-S310 PolarHBondContact O-N 2.67Å; N308-S310 WeakPolarHBondContact OD1-CB 3.37Å; N308-S310 PolarHBondContact OD1-N 3.46Å; S310-G313 PolarHBondContact O-N 2.98Å; S310-G314 PolarHBondContact O-N 2.89Å |
| 311 | L | 91.3 | Very high | 90.4 | Very high | 54 Ų | 54 | 46.8 Ų | 46.8 | 28% | 0.283 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -66.9 | -45.8 | 177.7 | -69.4 | 172.4 | 0 | 0 | 0 | 111 | L307 N308 G313 G314 V315 K345 V349 | L307-L311 HydrophobicContact CB-CB 4.42Å; L307-L311 HydrophobicContact CD2-CB 4.25Å; L307-L311 HydrophobicContact CD2-CD1 4.16Å; N308-L311 PolarHBondContact O-N 3.16Å; N308-L311 PolarHBondContact OD1-N 2.91Å; L311-G313 VanDerWaalsContact C-N 3.32Å; L311-G313 PolarHBondContact O-N 3.27Å; L311-G314 PolarHBondContact O-N 3.46Å; L311-G314 VanDerWaalsContact O-N 3.12Å; L311-V315 WeakPolarHBondContact O-CG2 3.5Å; L311-V315 PolarHBondContact O-N 3.22Å; L311-K345 HydrophobicContact CD1-CB 4.43Å; L311-K345 HydrophobicContact CD1-CD 4.11Å; L311-V349 HydrophobicContact CD1-CG2 4.19Å; L311-V349 HydrophobicContact CD2-CG2 4.25Å |
| 312 | L | 92.9 | Very high | 90.1 | Very high | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.7 | -44.4 | 175.1 | -177 | 62.5 | 0 | 0 | 0 | 110.9 | V297 L301 N308 G314 V315 L316 L328 L332 L339 | V297-L312 HydrophobicContact CG1-CD1 4.47Å; V297-L312 HydrophobicContact CG1-CD2 4.02Å; L301-L312 HydrophobicContact CD2-CD2 3.83Å; L301-L312 HydrophobicContact CG-CD2 4.48Å; N308-L312 WeakPolarHBondContact O-CB 3.44Å; N308-L312 PolarHBondContact O-N 3.35Å; L312-G314 VanDerWaalsContact C-N 3.27Å; L312-G314 PolarHBondContact O-N 3.01Å; L312-V315 PolarHBondContact O-N 3.49Å; L312-L316 HydrophobicContact CD1-CD1 4.23Å; L312-L316 HydrophobicContact CD1-CG 4.21Å; L312-L316 HydrophobicContact CG-CD1 3.93Å; L312-L316 HydrophobicContact CG-CG 4.32Å; L312-L316 WeakPolarHBondContact O-CB 3.44Å; L312-L316 WeakPolarHBondContact O-CG 3.39Å; L312-L316 PolarHBondContact O-N 3.38Å; L312-L328 HydrophobicContact CB-CD2 4.33Å; L312-L328 HydrophobicContact CD2-CD2 4.07Å; L312-L328 HydrophobicContact CG-CD2 4.22Å; L312-L332 HydrophobicContact CD2-CD1 4.09Å; L312-L339 HydrophobicContact CD2-CD2 4.39Å |
| 313 | G | 92.6 | Very high | 89.9 | Confident | 14 Ų | 14 | 57.8 Ų | 57.8 | 14% | 0.144 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -57.4 | -38.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | A309 S310 L311 L316 R317 R318 | A309-G313 PolarHBondContact O-N 3.31Å; S310-G313 PolarHBondContact O-N 2.98Å; L311-G313 VanDerWaalsContact C-N 3.32Å; L311-G313 PolarHBondContact O-N 3.27Å; G313-L316 PolarHBondContact O-N 2.82Å; G313-R317 PolarHBondContact O-N 3.04Å; G313-R318 PolarHBondContact O-N 2.94Å |
| 314 | G | 92.3 | Very high | 89.8 | Confident | 39 Ų | 39 | 54.6 Ų | 54.6 | 40% | 0.402 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -67.5 | -41.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | R280 S310 L311 L312 L316 R317 | R280-G314 PolarHBondContact NH2-O 3.33Å; S310-G314 PolarHBondContact O-N 2.89Å; L311-G314 PolarHBondContact O-N 3.46Å; L311-G314 VanDerWaalsContact O-N 3.12Å; L312-G314 VanDerWaalsContact C-N 3.27Å; L312-G314 PolarHBondContact O-N 3.01Å; G314-L316 VanDerWaalsContact C-N 3.32Å; G314-R317 PolarHBondContact O-N 3.44Å |
| 315 | V | 94.4 | Very high | 89.6 | Confident | 7 Ų | 7 | 55.6 Ų | 55.6 | 4% | 0.042 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.2 | -44.4 | 173.1 | 171.8 | 0 | 0 | 0 | 0 | 110.4 | L307 L311 L312 R317 T353 V356 | L307-V315 HydrophobicContact CD1-CG2 4.26Å; L311-V315 WeakPolarHBondContact O-CG2 3.5Å; L311-V315 PolarHBondContact O-N 3.22Å; L312-V315 PolarHBondContact O-N 3.49Å; V315-R317 PolarHBondContact O-N 2.91Å; V315-R317 VanDerWaalsContact O-N 3.16Å; V315-T353 WeakPolarHBondContact CG2-O 3.4Å; V315-V356 HydrophobicContact CG1-CG1 3.86Å |
| 316 | L | 94.7 | Very high | 89.5 | Confident | 7 Ų | 7 | 63 Ų | 63 | 4% | 0.037 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | 2.7 | 179.3 | -60.3 | 175.2 | 0 | 0 | 0 | 114.2 | F274 V277 V292 L312 G313 G314 R318 L328 | F274-L316 HydrophobicContact CD1-CD1 4.29Å; F274-L316 HydrophobicContact CD1-CD2 4.32Å; F274-L316 HydrophobicContact CE1-CD1 3.73Å; V277-L316 WeakPolarHBondContact CG1-O 3.33Å; V292-L316 HydrophobicContact CB-CD2 4.32Å; V292-L316 HydrophobicContact CG1-CD2 3.82Å; V292-L316 HydrophobicContact CG2-CD2 4.28Å; L312-L316 HydrophobicContact CD1-CD1 4.23Å; L312-L316 HydrophobicContact CD1-CG 4.21Å; L312-L316 HydrophobicContact CG-CD1 3.93Å; L312-L316 HydrophobicContact CG-CG 4.32Å; L312-L316 WeakPolarHBondContact O-CB 3.44Å; L312-L316 WeakPolarHBondContact O-CG 3.39Å; L312-L316 PolarHBondContact O-N 3.38Å; G313-L316 PolarHBondContact O-N 2.82Å; G314-L316 VanDerWaalsContact C-N 3.32Å; L316-R318 HydrophobicContact CB-CG 4.07Å; L316-R318 PolarHBondContact O-N 3.01Å; L316-R318 VanDerWaalsContact O-N 3.08Å; L316-L328 HydrophobicContact CD1-CD1 3.91Å |
| 317 | R | 93.1 | Very high | 89.5 | Confident | 53 Ų | 53 | 64.8 Ų | 64.8 | 20% | 0.2 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 32.8 | 177.3 | -53.6 | 179.2 | -175.7 | 122 | 11 | 113.1 | V277 P278 G313 G314 V315 E359 | V277-R317 HydrophobicContact CB-CG 4.43Å; P278-R317 VanDerWaalsContact C-NH1 3.28Å; P278-R317 WeakPolarHBondContact O-CD 3.47Å; P278-R317 PolarHBondContact O-NE 3.16Å; P278-R317 PolarHBondContact O-NH1 2.84Å; G313-R317 PolarHBondContact O-N 3.04Å; G314-R317 PolarHBondContact O-N 3.44Å; V315-R317 PolarHBondContact O-N 2.91Å; V315-R317 VanDerWaalsContact O-N 3.16Å; R317-E359 IonicContact CZ-OE1 3.63Å; R317-E359 IonicContact CZ-OE2 3.37Å; R317-E359 IonicContact NH1-OE1 3.97Å; R317-E359 PolarHBondContact NH1-OE1 3.05Å; R317-E359 IonicContact NH1-OE2 2.86Å; R317-E359 IonicContact NH2-OE1 2.7Å; R317-E359 PolarHBondContact NH2-OE1 3.41Å; R317-E359 IonicContact NH2-OE2 3.17Å; R317-E359 PolarHBondContact NH2-OE2 3.49Å |
| 318 | R | 86.1 | Confident | 89.5 | Confident | 88 Ų | 88 | 64.9 Ų | 64.9 | 33% | 0.332 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -80.7 | 137 | 177.8 | -67.2 | -176.7 | 65.6 | -179.2 | -1.9 | 109.6 | G313 L316 S327 | G313-R318 PolarHBondContact O-N 2.94Å; L316-R318 HydrophobicContact CB-CG 4.07Å; L316-R318 PolarHBondContact O-N 3.01Å; L316-R318 VanDerWaalsContact O-N 3.08Å; R318-S327 PolarHBondContact NH2-OG 3.37Å |
| 319 | A | 81.9 | Confident | 89.6 | Confident | 91 Ų | 91 | 66 Ų | 66 | 75% | 0.752 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -57.7 | 141.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | S321 | A319-S321 PolarHBondContact O-N 3.17Š|
| 320 | K | 83.4 | Confident | 89.8 | Confident | 218 Ų | 218 | 70.2 Ų | 70.2 | 95% | 0.948 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -67.8 | 124.2 | 176 | -168.4 | 177.2 | -178 | -177.4 | 0 | 108.5 | ||
| 321 | S | 85.5 | Confident | 90 | Very high | 70 Ų | 70 | 70.4 Ų | 70.4 | 49% | 0.49 | 36% | 0.363 | S | S | . | . | trans | -134.4 | 150.4 | 176.4 | 53.8 | 0 | 0 | 0 | 0 | 109.4 | A319 N323 G324 | A319-S321 PolarHBondContact O-N 3.17Å; S321-N323 PolarHBondContact O-N 3.37Å; S321-N323 VanDerWaalsContact O-N 3.12Å; S321-G324 PolarHBondContact O-N 3.29Å; S321-G324 WeakPolarHBondContact OG-CA 3.38Å; S321-G324 PolarHBondContact OG-N 3.45Å | ||
| 322 | K | 86.1 | Confident | 90.1 | Very high | 207 Ų | 207 | 67.8 Ų | 67.8 | 90% | 0.9 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | -37.6 | -178.3 | -174.7 | 177.9 | 179.2 | 179.5 | 0 | 112.2 | ||
| 323 | N | 88.1 | Confident | 90.1 | Very high | 91 Ų | 91 | 74.6 Ų | 74.6 | 49% | 0.487 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | 12.5 | -179.3 | -63.1 | -23.6 | 0 | 0 | 0 | 113.5 | S321 G325 R326 S327 | S321-N323 PolarHBondContact O-N 3.37Å; S321-N323 VanDerWaalsContact O-N 3.12Å; N323-G325 VanDerWaalsContact C-N 3.35Å; N323-G325 PolarHBondContact O-N 3.05Å; N323-R326 PolarHBondContact O-N 3.09Å; N323-R326 VanDerWaalsContact O-N 3.11Å; N323-S327 PolarHBondContact O-N 3.15Å |
| 324 | G | 87.8 | Confident | 90.1 | Very high | 15 Ų | 15 | 82 Ų | 82 | 16% | 0.155 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -60.4 | -40.8 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | S321 L328 | S321-G324 PolarHBondContact O-N 3.29Å; S321-G324 WeakPolarHBondContact OG-CA 3.38Å; S321-G324 PolarHBondContact OG-N 3.45Å; G324-L328 WeakPolarHBondContact O-CB 3.38Å; G324-L328 PolarHBondContact O-N 3.4Å |
| 325 | G | 88.4 | Confident | 90.1 | Very high | 35 Ų | 35 | 81.9 Ų | 81.9 | 36% | 0.361 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -66.7 | -35.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | N323 R329 | N323-G325 VanDerWaalsContact C-N 3.35Å; N323-G325 PolarHBondContact O-N 3.05Å; G325-R329 VanDerWaalsContact O-CG 3.32Å; G325-R329 WeakPolarHBondContact O-CG 3.43Å; G325-R329 PolarHBondContact O-N 2.96Å |
| 326 | R | 90.2 | Very high | 89.8 | Confident | 165 Ų | 165 | 83.3 Ų | 83.3 | 62% | 0.623 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -69.5 | -50.2 | 176.5 | -169.4 | -173.7 | -66.5 | 170.4 | -1.8 | 110.6 | N323 L328 R329 E330 | N323-R326 PolarHBondContact O-N 3.09Å; N323-R326 VanDerWaalsContact O-N 3.11Å; R326-L328 VanDerWaalsContact C-N 3.27Å; R326-L328 PolarHBondContact O-N 3.39Å; R326-R329 WeakPolarHBondContact O-CB 3.49Å; R326-R329 PolarHBondContact O-N 3.48Å; R326-E330 WeakPolarHBondContact CG-OE1 3.36Å; R326-E330 WeakPolarHBondContact O-CG 3.13Å; R326-E330 PolarHBondContact O-N 2.9Å |
| 327 | S | 91.3 | Very high | 89.6 | Confident | 46 Ų | 46 | 83.6 Ų | 83.6 | 32% | 0.322 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -57.8 | -37.1 | 175.7 | 166.5 | 0 | 0 | 0 | 0 | 112.8 | R318 N323 R331 | R318-S327 PolarHBondContact NH2-OG 3.37Å; N323-S327 PolarHBondContact O-N 3.15Å; S327-R331 WeakPolarHBondContact O-CB 3.49Å; S327-R331 PolarHBondContact O-N 2.95Å |
| 328 | L | 91.7 | Very high | 89.4 | Confident | 3 Ų | 3 | 87.5 Ų | 87.5 | 2% | 0.016 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -65.2 | -44.3 | 174.9 | -178.5 | 61.3 | 0 | 0 | 0 | 111.5 | F274 A309 L312 L316 G324 R326 R331 L332 | F274-L328 HydrophobicContact CE1-CD1 4.23Å; F274-L328 HydrophobicContact CZ-CD1 4.08Å; A309-L328 HydrophobicContact CB-CD2 4.42Å; L312-L328 HydrophobicContact CB-CD2 4.33Å; L312-L328 HydrophobicContact CD2-CD2 4.07Å; L312-L328 HydrophobicContact CG-CD2 4.22Å; L316-L328 HydrophobicContact CD1-CD1 3.91Å; G324-L328 WeakPolarHBondContact O-CB 3.38Å; G324-L328 PolarHBondContact O-N 3.4Å; R326-L328 VanDerWaalsContact C-N 3.27Å; R326-L328 PolarHBondContact O-N 3.39Å; L328-R331 PolarHBondContact O-N 3.02Å; L328-L332 HydrophobicContact CD1-CD1 4.28Å; L328-L332 HydrophobicContact CD1-CG 4.31Å; L328-L332 HydrophobicContact CG-CD1 4.06Å; L328-L332 VanDerWaalsContact O-CG 3.22Å; L328-L332 WeakPolarHBondContact O-CG 3.47Å; L328-L332 PolarHBondContact O-N 3.36Å |
| 329 | R | 92.1 | Very high | 89.4 | Confident | 71 Ų | 71 | 83.7 Ų | 83.7 | 27% | 0.268 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62 | -48.9 | 177.1 | -68.7 | 171.5 | -161.8 | -80.9 | 0.9 | 111.5 | G325 R326 R331 L332 E333 L339 P340 | G325-R329 VanDerWaalsContact O-CG 3.32Å; G325-R329 WeakPolarHBondContact O-CG 3.43Å; G325-R329 PolarHBondContact O-N 2.96Å; R326-R329 WeakPolarHBondContact O-CB 3.49Å; R326-R329 PolarHBondContact O-N 3.48Å; R329-R331 VanDerWaalsContact C-N 3.26Å; R329-R331 PolarHBondContact O-N 3.41Å; R329-L332 PolarHBondContact O-N 3.14Å; R329-L332 VanDerWaalsContact O-N 3.1Å; R329-E333 WeakPolarHBondContact O-CB 3.45Å; R329-E333 PolarHBondContact O-N 3.41Å; R329-L339 HydrophobicContact CG-CB 4.33Å; R329-L339 HydrophobicContact CG-CD2 4.48Å; R329-L339 PolarHBondContact NH1-O 2.86Å; R329-P340 PolarHBondContact NH1-O 3.42Å |
| 330 | E | 93.1 | Very high | 89.4 | Confident | 96 Ų | 96 | 81.4 Ų | 81.4 | 45% | 0.449 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -57.4 | -39.1 | 176.5 | -69.9 | 167 | -168.8 | 0 | 0 | 111.9 | R326 K334 | R326-E330 WeakPolarHBondContact CG-OE1 3.36Å; R326-E330 WeakPolarHBondContact O-CG 3.13Å; R326-E330 PolarHBondContact O-N 2.9Å; E330-K334 WeakPolarHBondContact O-CG 3.41Å; E330-K334 PolarHBondContact O-N 3.23Å |
| 331 | R | 92.8 | Very high | 89.1 | Confident | 107 Ų | 107 | 75 Ų | 75 | 40% | 0.404 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -69.9 | -36.8 | 177.5 | -169.3 | 177.9 | -177.4 | -167.2 | -2.8 | 112.7 | F274 S327 L328 R329 | F274-R331 HydrophobicContact CE2-CG 3.87Å; F274-R331 HydrophobicContact CZ-CG 4.01Å; F274-R331 PolarHBondContact O-NH2 3.4Å; S327-R331 WeakPolarHBondContact O-CB 3.49Å; S327-R331 PolarHBondContact O-N 2.95Å; L328-R331 PolarHBondContact O-N 3.02Å; R329-R331 VanDerWaalsContact C-N 3.26Å; R329-R331 PolarHBondContact O-N 3.41Å |
| 332 | L | 93.2 | Very high | 88.6 | Confident | 0 Ų | 0 | 75.3 Ų | 75.3 | 0% | 0 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -69.8 | -40.3 | 176.2 | -68.4 | 171.3 | 0 | 0 | 0 | 111 | F274 V297 L301 L312 L328 R329 K334 I335 G336 L337 L339 | F274-L332 HydrophobicContact CE2-CD2 3.85Å; F274-L332 HydrophobicContact CZ-CD2 3.77Å; F274-L332 HydrophobicContact CZ-CG 4.4Å; V297-L332 HydrophobicContact CG1-CD2 3.61Å; L301-L332 HydrophobicContact CD1-CD1 4.21Å; L312-L332 HydrophobicContact CD2-CD1 4.09Å; L328-L332 HydrophobicContact CD1-CD1 4.28Å; L328-L332 HydrophobicContact CD1-CG 4.31Å; L328-L332 HydrophobicContact CG-CD1 4.06Å; L328-L332 VanDerWaalsContact O-CG 3.22Å; L328-L332 WeakPolarHBondContact O-CG 3.47Å; L328-L332 PolarHBondContact O-N 3.36Å; R329-L332 PolarHBondContact O-N 3.14Å; R329-L332 VanDerWaalsContact O-N 3.1Å; L332-K334 VanDerWaalsContact C-N 3.3Å; L332-K334 PolarHBondContact O-N 3.46Å; L332-I335 HydrophobicContact CD2-CD1 4.16Å; L332-I335 CarbonylContact O-C 3.59Å; L332-I335 WeakPolarHBondContact O-CG1 3.27Å; L332-I335 PolarHBondContact O-N 3.21Å; L332-I335 VanDerWaalsContact O-N 3.09Å; L332-G336 PolarHBondContact O-N 2.73Å; L332-L337 CarbonylContact C-O 3.03Å; L332-L337 HydrophobicContact CB-CB 4.11Å; L332-L337 WeakPolarHBondContact CB-O 3.44Å; L332-L337 HydrophobicContact CD2-CB 4.36Å; L332-L337 HydrophobicContact CD2-CD1 4.24Å; L332-L337 PolarHBondContact O-N 3.38Å; L332-L337 VanDerWaalsContact O-O 3.07Å; L332-L339 HydrophobicContact CD1-CB 3.83Å; L332-L339 HydrophobicContact CD1-CD2 3.77Å; L332-L339 HydrophobicContact CD1-CG 4.45Å |
| 333 | E | 92.6 | Very high | 88 | Confident | 144 Ų | 144 | 70.5 Ų | 70.5 | 67% | 0.673 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -61.2 | -39.7 | 178.3 | -173.7 | 170.8 | -158.7 | 0 | 0 | 111.7 | R329 I335 G336 L337 | R329-E333 WeakPolarHBondContact O-CB 3.45Å; R329-E333 PolarHBondContact O-N 3.41Å; E333-I335 PolarHBondContact O-N 3.44Å; E333-G336 PolarHBondContact O-N 3.06Å; E333-L337 PolarHBondContact N-O 2.92Å |
| 334 | K | 92.8 | Very high | 87.1 | Confident | 169 Ų | 169 | 77 Ų | 77 | 74% | 0.735 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -59.2 | -28.2 | 174.9 | -74.6 | 175.9 | -176.9 | -174.6 | 0 | 114.5 | E330 L332 | E330-K334 WeakPolarHBondContact O-CG 3.41Å; E330-K334 PolarHBondContact O-N 3.23Å; L332-K334 VanDerWaalsContact C-N 3.3Å; L332-K334 PolarHBondContact O-N 3.46Å |
| 335 | I | 91.9 | Very high | 86.6 | Confident | 37 Ų | 37 | 80.3 Ų | 80.3 | 19% | 0.19 | 41% | 0.411 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | 10.2 | 177.8 | 62.3 | 169.5 | 0 | 0 | 0 | 112.2 | F274 V294 L332 E333 L337 | F274-I335 HydrophobicContact CD2-CD1 3.56Å; F274-I335 HydrophobicContact CE2-CD1 3.66Å; V294-I335 HydrophobicContact CG1-CD1 4.08Å; V294-I335 HydrophobicContact CG2-CD1 3.92Å; L332-I335 HydrophobicContact CD2-CD1 4.16Å; L332-I335 CarbonylContact O-C 3.59Å; L332-I335 WeakPolarHBondContact O-CG1 3.27Å; L332-I335 PolarHBondContact O-N 3.21Å; L332-I335 VanDerWaalsContact O-N 3.09Å; E333-I335 PolarHBondContact O-N 3.44Å; I335-L337 HydrophobicContact CD1-CD1 3.94Å; I335-L337 HydrophobicContact CD1-CG 4.21Å; I335-L337 HydrophobicContact CG1-CB 4.34Å; I335-L337 HydrophobicContact CG1-CG 4.24Å |
| 336 | G | 89.6 | Confident | 86 | Confident | 37 Ų | 37 | 82 Ų | 82 | 38% | 0.381 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.4 | 17.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | L332 E333 | L332-G336 PolarHBondContact O-N 2.73Å; E333-G336 PolarHBondContact O-N 3.06Å |
| 337 | L | 90.9 | Very high | 85.5 | Confident | 13 Ų | 13 | 75.3 Ų | 75.3 | 7% | 0.068 | 40% | 0.402 | C | S | . | . | trans | -103.6 | 128.1 | 174.4 | -66.8 | -173.4 | 0 | 0 | 0 | 111.1 | V268 V294 V297 Q298 L332 E333 I335 | V268-L337 HydrophobicContact CG1-CD2 4.17Å; V268-L337 HydrophobicContact CG1-CG 4.49Å; V268-L337 HydrophobicContact CG2-CD2 4.49Å; V294-L337 HydrophobicContact CG1-CD1 3.96Å; V294-L337 HydrophobicContact CG1-CG 4.41Å; V297-L337 HydrophobicContact CB-CD1 4.27Å; V297-L337 HydrophobicContact CG1-CD1 3.94Å; Q298-L337 HydrophobicContact CB-CD1 4.29Å; Q298-L337 HydrophobicContact CB-CD2 4.1Å; Q298-L337 HydrophobicContact CG-CD2 3.99Å; L332-L337 CarbonylContact C-O 3.03Å; L332-L337 HydrophobicContact CB-CB 4.11Å; L332-L337 WeakPolarHBondContact CB-O 3.44Å; L332-L337 HydrophobicContact CD2-CB 4.36Å; L332-L337 HydrophobicContact CD2-CD1 4.24Å; L332-L337 PolarHBondContact O-N 3.38Å; L332-L337 VanDerWaalsContact O-O 3.07Å; E333-L337 PolarHBondContact N-O 2.92Å; I335-L337 HydrophobicContact CD1-CD1 3.94Å; I335-L337 HydrophobicContact CD1-CG 4.21Å; I335-L337 HydrophobicContact CG1-CB 4.34Å; I335-L337 HydrophobicContact CG1-CG 4.24Å | ||
| 338 | N | 88.6 | Confident | 85.3 | Confident | 134 Ų | 134 | 79.6 Ų | 79.6 | 72% | 0.717 | 42% | 0.421 | S | S | * | . | trans | -99.1 | 127.1 | 175.6 | -171.8 | 10.3 | 0 | 0 | 0 | 111.3 | ||||
| 339 | L | 86.4 | Confident | 85.1 | Confident | 8 Ų | 8 | 82.8 Ų | 82.8 | 4% | 0.042 | 44% | 0.441 | C | S | . | . | trans | -112.3 | 104.8 | 169.9 | -177.7 | 52.3 | 0 | 0 | 0 | 108.5 | L301 A309 L312 R329 L332 | L301-L339 HydrophobicContact CD1-CB 4.39Å; L301-L339 HydrophobicContact CD1-CD1 4.42Å; L301-L339 HydrophobicContact CD2-CD1 3.46Å; L301-L339 VanDerWaalsContact CD2-CD1 3.46Å; L301-L339 HydrophobicContact CD2-CD2 4.34Å; L301-L339 HydrophobicContact CD2-CG 4.38Å; L301-L339 HydrophobicContact CG-CD1 4.48Å; A309-L339 HydrophobicContact CB-CD2 3.66Å; L312-L339 HydrophobicContact CD2-CD2 4.39Å; R329-L339 HydrophobicContact CG-CB 4.33Å; R329-L339 HydrophobicContact CG-CD2 4.48Å; R329-L339 PolarHBondContact NH1-O 2.86Å; L332-L339 HydrophobicContact CD1-CB 3.83Å; L332-L339 HydrophobicContact CD1-CD2 3.77Å; L332-L339 HydrophobicContact CD1-CG 4.45Å | ||
| 340 | P | 79.9 | Confident | 85.1 | Confident | 43 Ų | 43 | 82.8 Ų | 82.8 | 28% | 0.279 | 45% | 0.448 | S | S | . | . | trans | -70.9 | 146.8 | -178.6 | 25.6 | -33.3 | 0 | 0 | 0 | 112.3 | R329 R343 | R329-P340 PolarHBondContact NH1-O 3.42Å; P340-R343 HydrophobicContact CG-CB 4.14Å | ||
| 341 | A | 79.1 | Confident | 85.1 | Confident | 83 Ų | 83 | 84.7 Ų | 84.7 | 69% | 0.686 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | 150.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | R343 | A341-R343 PolarHBondContact O-N 3.04Š|
| 342 | G | 73.1 | Confident | 85.2 | Confident | 77 Ų | 77 | 81.6 Ų | 81.6 | 79% | 0.794 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.4 | 3.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | R344 | G342-R344 PolarHBondContact O-N 3.13Š|
| 343 | R | 74.1 | Confident | 85.3 | Confident | 107 Ų | 107 | 82 Ų | 82 | 40% | 0.404 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 131.6 | 177 | 176.1 | 175.1 | -72 | -121.5 | 2.2 | 111.2 | P340 A341 | P340-R343 HydrophobicContact CG-CB 4.14Å; A341-R343 PolarHBondContact O-N 3.04Å |
| 344 | R | 70.4 | Confident | 85.3 | Confident | 226 Ų | 226 | 77.1 Ų | 77.1 | 85% | 0.853 | 44% | 0.437 | S | S | * | . | P | Polyproline II helix | trans | -82.2 | 141.5 | 172.2 | -61.7 | -177.3 | -175.8 | 178.4 | 1.3 | 110 | G342 | G342-R344 PolarHBondContact O-N 3.13Š|
| 345 | K | 76.6 | Confident | 85.5 | Confident | 85 Ų | 85 | 69.6 Ų | 69.6 | 37% | 0.37 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 140.7 | 168.8 | 161.5 | -167.1 | 156.8 | -166 | 0 | 109.5 | L311 A347 V349 | L311-K345 HydrophobicContact CD1-CB 4.43Å; L311-K345 HydrophobicContact CD1-CD 4.11Å; K345-A347 WeakPolarHBondContact CD-O 3.42Å; K345-A347 WeakPolarHBondContact CE-O 3.46Å; K345-A347 WeakPolarHBondContact CG-O 3.39Å; K345-V349 HydrophobicContact CD-CG2 3.77Å |
| 346 | A | 75.3 | Confident | 85.7 | Confident | 72 Ų | 72 | 67.8 Ų | 67.8 | 60% | 0.595 | 40% | 0.395 | S | S | * | . | trans | -101.8 | -49.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | P304 E305 C306 | P304-A346 WeakPolarHBondContact O-CB 3.4Å; E305-A346 PolarHBondContact O-N 2.95Å; C306-A346 HydrophobicContact CB-CB 3.8Å | ||
| 347 | A | 80.1 | Confident | 86 | Confident | 23 Ų | 23 | 66.5 Ų | 66.5 | 19% | 0.19 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -90.8 | 152.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | P304 K345 | P304-A347 WeakPolarHBondContact O-CB 3.25Å; P304-A347 PolarHBondContact O-N 3.28Å; K345-A347 WeakPolarHBondContact CD-O 3.42Å; K345-A347 WeakPolarHBondContact CE-O 3.46Å; K345-A347 WeakPolarHBondContact CG-O 3.39Å |
| 348 | N | 86.2 | Confident | 86.2 | Confident | 137 Ų | 137 | 67.3 Ų | 67.3 | 73% | 0.733 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | trans | -61.2 | 146 | 173.5 | -75.2 | -35.1 | 0 | 0 | 0 | 112 | ||
| 349 | V | 88.6 | Confident | 86.5 | Confident | 70 Ų | 70 | 61.2 Ų | 61.2 | 42% | 0.424 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -83.4 | 124.4 | 176.7 | 164.3 | 0 | 0 | 0 | 0 | 105.6 | L311 K345 T353 | L311-V349 HydrophobicContact CD1-CG2 4.19Å; L311-V349 HydrophobicContact CD2-CG2 4.25Å; K345-V349 HydrophobicContact CD-CG2 3.77Å; V349-T353 HydrophobicContact CG1-CG2 4.44Å; V349-T353 HydrophobicContact CG2-CG2 4.4Å |
| 350 | T | 92.3 | Very high | 87 | Confident | 70 Ų | 70 | 60.8 Ų | 60.8 | 43% | 0.429 | 36% | 0.356 | S | S | . | . | trans | -115 | 176.2 | 176.2 | 69 | 0 | 0 | 0 | 0 | 109.3 | L352 T353 | T350-L352 PolarHBondContact O-N 3.02Å; T350-L352 PolarHBondContact OG1-N 3.32Å; T350-T353 PolarHBondContact N-OG1 3.11Å; T350-T353 VanDerWaalsContact N-OG1 3.14Å; T350-T353 WeakPolarHBondContact O-CB 3.29Å; T350-T353 PolarHBondContact O-N 3.24Å; T350-T353 PolarHBondContact OG1-N 3.08Å | ||
| 351 | L | 93.6 | Very high | 87.7 | Confident | 137 Ų | 137 | 61.6 Ų | 61.6 | 72% | 0.717 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -34.1 | 170.3 | -63.6 | 179.2 | 0 | 0 | 0 | 111.5 | T353 S354 | L351-T353 VanDerWaalsContact C-N 3.3Å; L351-T353 PolarHBondContact O-N 3.08Å; L351-S354 WeakPolarHBondContact O-CB 3.39Å; L351-S354 PolarHBondContact O-N 2.89Å; L351-S354 VanDerWaalsContact O-N 3.14Å; L351-S354 PolarHBondContact O-OG 3.43Å |
| 352 | L | 94.8 | Very high | 88.5 | Confident | 41 Ų | 41 | 60.5 Ų | 60.5 | 22% | 0.215 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -65.3 | -32.3 | 178.4 | -62.3 | 175.6 | 0 | 0 | 0 | 112.4 | T350 S354 L355 T446 H447 F449 | T350-L352 PolarHBondContact O-N 3.02Å; T350-L352 PolarHBondContact OG1-N 3.32Å; L352-S354 PolarHBondContact O-N 3.4Å; L352-L355 HydrophobicContact CD2-CD1 3.96Å; L352-L355 WeakPolarHBondContact O-CB 3.42Å; L352-L355 PolarHBondContact O-N 2.98Å; L352-T446 HydrophobicContact CD1-CG2 3.87Å; L352-H447 PolarHBondContact O-ND1 3.47Å; L352-F449 HydrophobicContact CD1-CD1 4.49Å; L352-F449 HydrophobicContact CD2-CD1 4.09Å; L352-F449 HydrophobicContact CD2-CG 4.48Å |
| 353 | T | 94.1 | Very high | 89.6 | Confident | 8 Ų | 8 | 59.6 Ų | 59.6 | 5% | 0.049 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -54.6 | -29.3 | 175 | -55.7 | 0 | 0 | 0 | 0 | 112 | R300 E305 L307 V315 V349 T350 L351 L355 | R300-T353 PolarHBondContact NH1-O 3.37Å; R300-T353 VanDerWaalsContact NH1-O 3.14Å; R300-T353 PolarHBondContact NH2-O 3.4Å; E305-T353 WeakPolarHBondContact OE1-CG2 3.41Å; E305-T353 PolarHBondContact OE1-OG1 3.03Å; L307-T353 HydrophobicContact CD2-CG2 4.33Å; V315-T353 WeakPolarHBondContact CG2-O 3.4Å; V349-T353 HydrophobicContact CG1-CG2 4.44Å; V349-T353 HydrophobicContact CG2-CG2 4.4Å; T350-T353 PolarHBondContact N-OG1 3.11Å; T350-T353 VanDerWaalsContact N-OG1 3.14Å; T350-T353 WeakPolarHBondContact O-CB 3.29Å; T350-T353 PolarHBondContact O-N 3.24Å; T350-T353 PolarHBondContact OG1-N 3.08Å; L351-T353 VanDerWaalsContact C-N 3.3Å; L351-T353 PolarHBondContact O-N 3.08Å; T353-L355 VanDerWaalsContact C-N 3.34Å; T353-L355 PolarHBondContact O-N 3.47Å |
| 354 | S | 93.4 | Very high | 90.6 | Very high | 43 Ų | 43 | 54.8 Ų | 54.8 | 30% | 0.301 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -74.1 | -20.1 | -179.3 | 78.3 | 0 | 0 | 0 | 0 | 114.5 | R280 L351 L352 | R280-S354 PolarHBondContact NE-O 3.22Å; R280-S354 PolarHBondContact NH2-O 3.28Å; L351-S354 WeakPolarHBondContact O-CB 3.39Å; L351-S354 PolarHBondContact O-N 2.89Å; L351-S354 VanDerWaalsContact O-N 3.14Å; L351-S354 PolarHBondContact O-OG 3.43Å; L352-S354 PolarHBondContact O-N 3.4Å |
| 355 | L | 95.6 | Very high | 91.8 | Very high | 10 Ų | 10 | 52 Ų | 52 | 5% | 0.052 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -85.7 | 133.6 | -177.7 | -59 | 178.8 | 0 | 0 | 0 | 110.3 | L281 R300 L352 T353 E359 A360 L363 | L281-L355 HydrophobicContact CD1-CD2 4.12Å; L281-L355 HydrophobicContact CG-CD2 4.34Å; R300-L355 PolarHBondContact NH2-O 2.83Å; L352-L355 HydrophobicContact CD2-CD1 3.96Å; L352-L355 WeakPolarHBondContact O-CB 3.42Å; L352-L355 PolarHBondContact O-N 2.98Å; T353-L355 VanDerWaalsContact C-N 3.34Å; T353-L355 PolarHBondContact O-N 3.47Å; L355-E359 HydrophobicContact CB-CB 4.29Å; L355-E359 HydrophobicContact CD2-CB 4.27Å; L355-A360 HydrophobicContact CB-CB 4.26Å; L355-A360 HydrophobicContact CD1-CB 4.3Å; L355-L363 HydrophobicContact CD1-CD2 4.07Å |
| 356 | V | 96.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 29% | 0.291 | C | S | . | . | trans | -74.6 | 156.9 | 164.8 | -59.8 | 0 | 0 | 0 | 0 | 109.8 | V277 Y290 V292 E296 V315 G358 E359 A360 | V277-V356 HydrophobicContact CG2-CB 4.47Å; V277-V356 HydrophobicContact CG2-CG1 3.88Å; V277-V356 HydrophobicContact CG2-CG2 3.82Å; Y290-V356 HydrophobicContact CG-CG2 4.26Å; V292-V356 HydrophobicContact CG2-CB 4.09Å; V292-V356 HydrophobicContact CG2-CG1 3.67Å; V292-V356 HydrophobicContact CG2-CG2 4.42Å; E296-V356 WeakPolarHBondContact OE1-CA 3.44Å; E296-V356 WeakPolarHBondContact OE1-CB 3.35Å; V315-V356 HydrophobicContact CG1-CG1 3.86Å; V356-G358 PolarHBondContact O-N 2.82Å; V356-G358 VanDerWaalsContact O-N 3.12Å; V356-E359 HydrophobicContact CG2-CB 4.39Å; V356-E359 HydrophobicContact CG2-CG 3.89Å; V356-E359 WeakPolarHBondContact CG2-OE2 3.38Å; V356-E359 PolarHBondContact N-OE2 3.42Å; V356-E359 WeakPolarHBondContact O-CA 3.32Å; V356-E359 WeakPolarHBondContact O-CB 3.33Å; V356-E359 PolarHBondContact O-N 3.11Å; V356-A360 PolarHBondContact O-N 3.48Å | ||
| 357 | E | 96.2 | Very high | 93.8 | Very high | 10 Ų | 10 | 52 Ų | 52 | 5% | 0.047 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -52.7 | -40.2 | -175.8 | -73.5 | 178.8 | -173.5 | 0 | 0 | 112.5 | E296 R299 E359 A360 V361 I422 G423 H447 | E296-E357 HydrophobicContact CB-CG 4.5Å; E296-E357 HydrophobicContact CG-CG 3.91Å; E296-E357 PolarHBondContact OE1-N 2.94Å; R299-E357 IonicContact CZ-OE1 3.68Å; R299-E357 IonicContact CZ-OE2 3.53Å; R299-E357 IonicContact NE-OE1 3.36Å; R299-E357 PolarHBondContact NE-OE1 3.48Å; R299-E357 IonicContact NE-OE2 3.08Å; R299-E357 IonicContact NH2-OE1 3.82Å; R299-E357 PolarHBondContact NH2-OE1 2.66Å; R299-E357 IonicContact NH2-OE2 3.87Å; R299-E357 PolarHBondContact NH2-OE2 3.46Å; E357-E359 VanDerWaalsContact C-N 3.29Å; E357-E359 PolarHBondContact O-N 3.35Å; E357-A360 PolarHBondContact O-N 3.1Å; E357-V361 WeakPolarHBondContact O-CB 3.33Å; E357-V361 WeakPolarHBondContact O-CG2 3.47Å; E357-V361 PolarHBondContact O-N 3.39Å; E357-I422 HydrophobicContact CG-CG2 4.38Å; E357-G423 WeakPolarHBondContact OE2-CA 3.18Å; E357-G423 PolarHBondContact OE2-N 2.58Å; E357-H447 HydrophobicContact CG-CB 4.13Å |
| 358 | G | 95 | Very high | 94.7 | Very high | 30 Ų | 30 | 51.9 Ų | 51.9 | 31% | 0.309 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59.9 | -35.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y290 V356 H362 | Y290-G358 VanDerWaalsContact CD1-C 3.44Å; Y290-G358 WeakPolarHBondContact CE1-O 3.49Å; V356-G358 PolarHBondContact O-N 2.82Å; V356-G358 VanDerWaalsContact O-N 3.12Å; G358-H362 WeakPolarHBondContact O-CB 3.41Å; G358-H362 PolarHBondContact O-N 3.01Å |
| 359 | E | 95.5 | Very high | 95.2 | Very high | 5 Ų | 5 | 52.3 Ų | 52.3 | 2% | 0.023 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -75.1 | -42.5 | 175.6 | -70.6 | 171 | 127.7 | 0 | 0 | 111.8 | G279 R280 Y290 R317 L355 V356 E357 V361 H362 L363 | G279-E359 VanDerWaalsContact CA-OE1 3.25Å; G279-E359 WeakPolarHBondContact CA-OE1 3.25Å; R280-E359 PolarHBondContact N-OE1 3.38Å; Y290-E359 HydrophobicContact CD1-CG 4Å; Y290-E359 HydrophobicContact CD2-CG 3.4Å; Y290-E359 HydrophobicContact CE1-CG 3.99Å; Y290-E359 HydrophobicContact CE2-CG 3.39Å; Y290-E359 HydrophobicContact CG-CG 3.7Å; R317-E359 IonicContact CZ-OE1 3.63Å; R317-E359 IonicContact CZ-OE2 3.37Å; R317-E359 IonicContact NH1-OE1 3.97Å; R317-E359 PolarHBondContact NH1-OE1 3.05Å; R317-E359 IonicContact NH1-OE2 2.86Å; R317-E359 IonicContact NH2-OE1 2.7Å; R317-E359 PolarHBondContact NH2-OE1 3.41Å; R317-E359 IonicContact NH2-OE2 3.17Å; R317-E359 PolarHBondContact NH2-OE2 3.49Å; L355-E359 HydrophobicContact CB-CB 4.29Å; L355-E359 HydrophobicContact CD2-CB 4.27Å; V356-E359 HydrophobicContact CG2-CB 4.39Å; V356-E359 HydrophobicContact CG2-CG 3.89Å; V356-E359 WeakPolarHBondContact CG2-OE2 3.38Å; V356-E359 PolarHBondContact N-OE2 3.42Å; V356-E359 WeakPolarHBondContact O-CA 3.32Å; V356-E359 WeakPolarHBondContact O-CB 3.33Å; V356-E359 PolarHBondContact O-N 3.11Å; E357-E359 VanDerWaalsContact C-N 3.29Å; E357-E359 PolarHBondContact O-N 3.35Å; E359-V361 VanDerWaalsContact C-N 3.35Å; E359-H362 PolarHBondContact O-N 3.09Å; E359-L363 VanDerWaalsContact O-CB 3.31Å; E359-L363 WeakPolarHBondContact O-CB 3.41Å; E359-L363 PolarHBondContact O-N 3.34Å |
| 360 | A | 96.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.1 | -43.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L355 V356 E357 L363 A364 H447 F449 | L355-A360 HydrophobicContact CB-CB 4.26Å; L355-A360 HydrophobicContact CD1-CB 4.3Å; V356-A360 PolarHBondContact O-N 3.48Å; E357-A360 PolarHBondContact O-N 3.1Å; A360-L363 PolarHBondContact O-N 3.04Å; A360-A364 PolarHBondContact O-N 2.99Å; A360-H447 HydrophobicContact CB-CB 3.75Å; A360-H447 VanDerWaalsContact CB-O 3.28Å; A360-H447 WeakPolarHBondContact CB-O 3.26Å; A360-F449 HydrophobicContact CB-CB 4.03Å |
| 361 | V | 94.7 | Very high | 95.9 | Very high | 59 Ų | 59 | 50.9 Ų | 50.9 | 36% | 0.358 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -66.3 | -40.6 | 175.3 | 172.7 | 0 | 0 | 0 | 0 | 111.5 | E357 E359 A364 R365 | E357-V361 WeakPolarHBondContact O-CB 3.33Å; E357-V361 WeakPolarHBondContact O-CG2 3.47Å; E357-V361 PolarHBondContact O-N 3.39Å; E359-V361 VanDerWaalsContact C-N 3.35Å; V361-A364 PolarHBondContact O-N 2.94Å; V361-R365 PolarHBondContact O-N 3.02Å; V361-R365 VanDerWaalsContact O-N 3.1Å |
| 362 | H | 95.1 | Very high | 96 | Very high | 61 Ų | 61 | 51 Ų | 51 | 28% | 0.282 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.8 | -45.1 | 176.9 | -166.9 | -177.7 | 0 | 0 | 0 | 111.5 | Y290 G358 E359 A364 R365 D366 | Y290-H362 HydrophobicContact CE1-CB 4.28Å; Y290-H362 AromaticContact CZ-ND1 3.88Å; Y290-H362 PolarHBondContact OH-ND1 2.95Å; G358-H362 WeakPolarHBondContact O-CB 3.41Å; G358-H362 PolarHBondContact O-N 3.01Å; E359-H362 PolarHBondContact O-N 3.09Å; H362-A364 VanDerWaalsContact C-N 3.29Å; H362-A364 PolarHBondContact O-N 2.81Å; H362-R365 WeakPolarHBondContact O-CB 3.44Å; H362-R365 PolarHBondContact O-N 2.89Å; H362-R365 VanDerWaalsContact O-N 3.11Å; H362-D366 IonicContact CD2-OD1 3.6Å; H362-D366 IonicContact CD2-OD2 3.31Å; H362-D366 IonicContact NE2-OD1 2.87Å; H362-D366 IonicContact NE2-OD2 3.23Å; H362-D366 PolarHBondContact O-N 3.07Å |
| 363 | L | 96.2 | Very high | 96.1 | Very high | 58 Ų | 58 | 52.1 Ų | 52.1 | 30% | 0.304 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -58 | -42 | 175.6 | 178.3 | 63.2 | 0 | 0 | 0 | 111.8 | L281 L355 E359 A360 R365 D366 F367 F449 | L281-L363 HydrophobicContact CD1-CD1 4.11Å; L281-L363 HydrophobicContact CD1-CD2 4.06Å; L281-L363 HydrophobicContact CD1-CG 4.49Å; L355-L363 HydrophobicContact CD1-CD2 4.07Å; E359-L363 VanDerWaalsContact O-CB 3.31Å; E359-L363 WeakPolarHBondContact O-CB 3.41Å; E359-L363 PolarHBondContact O-N 3.34Å; A360-L363 PolarHBondContact O-N 3.04Å; L363-R365 VanDerWaalsContact C-N 3.31Å; L363-R365 PolarHBondContact O-N 3.17Å; L363-D366 PolarHBondContact O-N 3.35Å; L363-F367 WeakPolarHBondContact O-CB 3.22Å; L363-F367 PolarHBondContact O-N 2.76Å; L363-F449 HydrophobicContact CB-CD2 4.29Å; L363-F449 HydrophobicContact CB-CE2 4.49Å; L363-F449 HydrophobicContact CD2-CD2 4.05Å; L363-F449 HydrophobicContact CD2-CE2 3.92Å; L363-F449 HydrophobicContact CG-CD2 4.03Å; L363-F449 HydrophobicContact CG-CE2 3.8Å |
| 364 | A | 96.6 | Very high | 96.2 | Very high | 6 Ų | 6 | 58.1 Ų | 58.1 | 5% | 0.05 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.9 | -37.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A360 V361 H362 G368 F449 P452 | A360-A364 PolarHBondContact O-N 2.99Å; V361-A364 PolarHBondContact O-N 2.94Å; H362-A364 VanDerWaalsContact C-N 3.29Å; H362-A364 PolarHBondContact O-N 2.81Å; A364-G368 PolarHBondContact O-N 3.27Å; A364-F449 HydrophobicContact CB-CD2 3.65Å; A364-F449 HydrophobicContact CB-CE2 4.19Å; A364-F449 HydrophobicContact CB-CG 4.44Å; A364-P452 HydrophobicContact CB-CB 3.96Å |
| 365 | R | 96.1 | Very high | 96.4 | Very high | 168 Ų | 168 | 60.3 Ų | 60.3 | 63% | 0.634 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -64 | -49.3 | 175.1 | -177.4 | -171.1 | -61.6 | 165 | -0.6 | 111.4 | V361 H362 L363 F367 G368 Y369 | V361-R365 PolarHBondContact O-N 3.02Å; V361-R365 VanDerWaalsContact O-N 3.1Å; H362-R365 WeakPolarHBondContact O-CB 3.44Å; H362-R365 PolarHBondContact O-N 2.89Å; H362-R365 VanDerWaalsContact O-N 3.11Å; L363-R365 VanDerWaalsContact C-N 3.31Å; L363-R365 PolarHBondContact O-N 3.17Å; R365-F367 VanDerWaalsContact C-N 3.31Å; R365-F367 PolarHBondContact O-N 3.04Å; R365-G368 PolarHBondContact O-N 3.2Å; R365-G368 VanDerWaalsContact O-N 3.16Å; R365-Y369 PolarHBondContact O-N 3.03Å |
| 366 | D | 96.1 | Very high | 96.5 | Very high | 75 Ų | 75 | 63.3 Ų | 63.3 | 40% | 0.401 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.1 | -41.2 | -179.9 | -69.8 | -3.8 | 0 | 0 | 0 | 111 | H362 L363 G368 Y369 I370 | H362-D366 IonicContact CD2-OD1 3.6Å; H362-D366 IonicContact CD2-OD2 3.31Å; H362-D366 IonicContact NE2-OD1 2.87Å; H362-D366 IonicContact NE2-OD2 3.23Å; H362-D366 PolarHBondContact O-N 3.07Å; L363-D366 PolarHBondContact O-N 3.35Å; D366-G368 VanDerWaalsContact C-N 3.35Å; D366-G368 PolarHBondContact O-N 3.27Å; D366-Y369 PolarHBondContact O-N 3.38Å; D366-I370 WeakPolarHBondContact O-CG1 3.29Å; D366-I370 PolarHBondContact O-N 2.89Å |
| 367 | F | 97.6 | Very high | 96.5 | Very high | 81 Ų | 81 | 63.9 Ų | 63.9 | 36% | 0.355 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59.6 | -45.1 | 173 | -179.4 | -109.4 | 0 | 0 | 0 | 111.9 | L363 R365 Y369 I370 C371 A453 A456 | L363-F367 WeakPolarHBondContact O-CB 3.22Å; L363-F367 PolarHBondContact O-N 2.76Å; R365-F367 VanDerWaalsContact C-N 3.31Å; R365-F367 PolarHBondContact O-N 3.04Å; F367-Y369 PolarHBondContact O-N 2.87Å; F367-I370 PolarHBondContact O-N 3.5Å; F367-C371 VanDerWaalsContact CZ-SG 3.52Å; F367-C371 WeakPolarHBondContact O-CB 3.33Å; F367-C371 PolarHBondContact O-N 3.07Å; F367-C371 PolarHBondContact O-SG 3.32Å; F367-A453 HydrophobicContact CD1-CB 4.13Å; F367-A453 HydrophobicContact CE1-CB 4.36Å; F367-A456 HydrophobicContact CD1-CB 3.92Å; F367-A456 HydrophobicContact CE1-CB 4.06Å |
| 368 | G | 97.4 | Very high | 96.6 | Very high | 20 Ų | 20 | 69.2 Ų | 69.2 | 21% | 0.206 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -57.5 | -47.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | A364 R365 D366 I370 C371 E372 | A364-G368 PolarHBondContact O-N 3.27Å; R365-G368 PolarHBondContact O-N 3.2Å; R365-G368 VanDerWaalsContact O-N 3.16Å; D366-G368 VanDerWaalsContact C-N 3.35Å; D366-G368 PolarHBondContact O-N 3.27Å; G368-I370 PolarHBondContact O-N 2.78Å; G368-C371 WeakPolarHBondContact O-CB 3.4Å; G368-C371 PolarHBondContact O-N 3.16Å; G368-E372 PolarHBondContact O-N 2.84Å |
| 369 | Y | 98.1 | Very high | 96.7 | Very high | 146 Ų | 146 | 70.6 Ų | 70.6 | 57% | 0.573 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -59 | -46.4 | 177.5 | 176.5 | -95.2 | 0 | 0 | 0 | 112 | R365 D366 F367 E372 T373 | R365-Y369 PolarHBondContact O-N 3.03Å; D366-Y369 PolarHBondContact O-N 3.38Å; F367-Y369 PolarHBondContact O-N 2.87Å; Y369-E372 PolarHBondContact O-N 3.21Å; Y369-T373 HydrophobicContact CD2-CG2 4.07Å; Y369-T373 HydrophobicContact CE1-CG2 4.28Å; Y369-T373 HydrophobicContact CE2-CG2 3.69Å; Y369-T373 WeakPolarHBondContact O-CB 3.36Å; Y369-T373 PolarHBondContact O-N 2.65Å; Y369-T373 PolarHBondContact O-OG1 2.79Å |
| 370 | I | 97.7 | Very high | 96.8 | Very high | 93 Ų | 93 | 72.9 Ų | 72.9 | 48% | 0.477 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.2 | -41.7 | 178.1 | -65.8 | 167.5 | 0 | 0 | 0 | 110.8 | D366 F367 G368 E372 T373 E374 F375 | D366-I370 WeakPolarHBondContact O-CG1 3.29Å; D366-I370 PolarHBondContact O-N 2.89Å; F367-I370 PolarHBondContact O-N 3.5Å; G368-I370 PolarHBondContact O-N 2.78Å; I370-E372 PolarHBondContact O-N 3.41Å; I370-T373 PolarHBondContact O-N 3.47Å; I370-E374 HydrophobicContact CG2-CB 4.03Å; I370-E374 HydrophobicContact CG2-CG 4.17Å; I370-E374 WeakPolarHBondContact O-CA 3.42Å; I370-E374 WeakPolarHBondContact O-CB 3.29Å; I370-E374 PolarHBondContact O-N 2.62Å; I370-F375 PolarHBondContact O-N 3.33Å |
| 371 | C | 97.3 | Very high | 96.8 | Very high | 18 Ų | 18 | 73 Ų | 73 | 12% | 0.122 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -59.6 | -34.4 | 174.7 | -80.5 | 0 | 0 | 0 | 0 | 112.9 | F367 G368 F375 A456 A460 | F367-C371 VanDerWaalsContact CZ-SG 3.52Å; F367-C371 WeakPolarHBondContact O-CB 3.33Å; F367-C371 PolarHBondContact O-N 3.07Å; F367-C371 PolarHBondContact O-SG 3.32Å; G368-C371 WeakPolarHBondContact O-CB 3.4Å; G368-C371 PolarHBondContact O-N 3.16Å; C371-F375 WeakPolarHBondContact O-CB 3.36Å; C371-A456 HydrophobicContact CB-CB 4.46Å; C371-A460 HydrophobicContact CB-CB 4.2Å |
| 372 | E | 94.8 | Very high | 96.8 | Very high | 138 Ų | 138 | 74.1 Ų | 74.1 | 65% | 0.645 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -80.5 | -41.7 | 179.9 | -175.4 | 171.7 | -166.2 | 0 | 0 | 112.6 | G368 Y369 I370 | G368-E372 PolarHBondContact O-N 2.84Å; Y369-E372 PolarHBondContact O-N 3.21Å; I370-E372 PolarHBondContact O-N 3.41Å |
| 373 | T | 96.9 | Very high | 96.8 | Very high | 65 Ų | 65 | 78 Ų | 78 | 40% | 0.399 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -95.1 | -35.3 | -169.4 | 54.6 | 0 | 0 | 0 | 0 | 114 | Y369 I370 | Y369-T373 HydrophobicContact CD2-CG2 4.07Å; Y369-T373 HydrophobicContact CE1-CG2 4.28Å; Y369-T373 HydrophobicContact CE2-CG2 3.69Å; Y369-T373 WeakPolarHBondContact O-CB 3.36Å; Y369-T373 PolarHBondContact O-N 2.65Å; Y369-T373 PolarHBondContact O-OG1 2.79Å; I370-T373 PolarHBondContact O-N 3.47Å |
| 374 | E | 97.4 | Very high | 96.7 | Very high | 134 Ų | 134 | 77.6 Ų | 77.6 | 63% | 0.626 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.3 | -19.8 | -171.3 | -58 | -62.2 | 146.8 | 0 | 0 | 113 | I370 P376 | I370-E374 HydrophobicContact CG2-CB 4.03Å; I370-E374 HydrophobicContact CG2-CG 4.17Å; I370-E374 WeakPolarHBondContact O-CA 3.42Å; I370-E374 WeakPolarHBondContact O-CB 3.29Å; I370-E374 PolarHBondContact O-N 2.62Å; E374-P376 WeakPolarHBondContact O-CD 3.44Å |
| 375 | F | 96.9 | Very high | 96.5 | Very high | 89 Ų | 89 | 77.8 Ų | 77.8 | 39% | 0.39 | 38% | 0.382 | S | S | . | . | trans | -67.7 | 123.8 | -178.8 | -175.7 | -104.9 | 0 | 0 | 0 | 111.2 | I370 C371 A377 A460 | I370-F375 PolarHBondContact O-N 3.33Å; C371-F375 WeakPolarHBondContact O-CB 3.36Å; F375-A377 HydrophobicContact CD1-CB 4.01Å; F375-A377 HydrophobicContact CE1-CB 4.23Å; F375-A377 PolarHBondContact O-N 3.46Å; F375-A460 HydrophobicContact CB-CB 4.38Å; F375-A460 HydrophobicContact CD1-CB 3.85Å; F375-A460 HydrophobicContact CE1-CB 4.32Å; F375-A460 HydrophobicContact CG-CB 4.07Å | ||
| 376 | P | 97.6 | Very high | 96.2 | Very high | 73 Ų | 73 | 78.1 Ų | 78.1 | 47% | 0.474 | 38% | 0.383 | S | S | . | . | trans | -82.5 | 54.3 | -170 | 34.5 | -37.9 | 0 | 0 | 0 | 113 | E374 K378 A379 V380 | E374-P376 WeakPolarHBondContact O-CD 3.44Å; P376-K378 VanDerWaalsContact C-N 3.29Å; P376-K378 PolarHBondContact O-N 3.31Å; P376-A379 HydrophobicContact CB-CB 4.38Å; P376-A379 PolarHBondContact O-N 2.87Å; P376-V380 HydrophobicContact CG-CG2 4.1Å; P376-V380 WeakPolarHBondContact O-CG2 3.37Å; P376-V380 PolarHBondContact O-N 2.91Å | ||
| 377 | A | 97.4 | Very high | 95.8 | Very high | 13 Ų | 13 | 80.1 Ų | 80.1 | 11% | 0.107 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -49.6 | -46.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | F375 S381 N463 | F375-A377 HydrophobicContact CD1-CB 4.01Å; F375-A377 HydrophobicContact CE1-CB 4.23Å; F375-A377 PolarHBondContact O-N 3.46Å; A377-S381 WeakPolarHBondContact O-CB 3.44Å; A377-S381 PolarHBondContact O-N 2.94Å; A377-S381 PolarHBondContact O-OG 3.44Å; A377-N463 HydrophobicContact CB-CB 4.15Å |
| 378 | K | 96.9 | Very high | 95.2 | Very high | 122 Ų | 122 | 79.2 Ų | 79.2 | 53% | 0.53 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.4 | -53.3 | -179.9 | -177 | 178.9 | 174 | -174.5 | 0 | 112.2 | P376 V380 S381 E382 E467 | P376-K378 VanDerWaalsContact C-N 3.29Å; P376-K378 PolarHBondContact O-N 3.31Å; K378-V380 VanDerWaalsContact C-N 3.31Å; K378-V380 PolarHBondContact O-N 2.9Å; K378-S381 PolarHBondContact O-N 3.19Å; K378-S381 VanDerWaalsContact O-N 3.12Å; K378-S381 PolarHBondContact O-OG 3.23Å; K378-E382 WeakPolarHBondContact CE-OE1 3.39Å; K378-E382 WeakPolarHBondContact O-CG 3.33Å; K378-E382 PolarHBondContact O-N 3.12Å; K378-E467 HydrophobicContact CB-CG 4.19Å |
| 379 | A | 97.4 | Very high | 94.4 | Very high | 59 Ų | 59 | 83 Ų | 83 | 49% | 0.488 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.4 | -41 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | P376 E382 Y383 | P376-A379 HydrophobicContact CB-CB 4.38Å; P376-A379 PolarHBondContact O-N 2.87Å; A379-E382 PolarHBondContact O-N 3.45Å; A379-Y383 WeakPolarHBondContact O-CB 3.4Å; A379-Y383 PolarHBondContact O-N 3.17Å |
| 380 | V | 97.5 | Very high | 93.8 | Very high | 52 Ų | 52 | 79.8 Ų | 79.8 | 32% | 0.315 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -63.2 | -42.6 | 175.1 | 176.2 | 0 | 0 | 0 | 0 | 111 | P376 K378 Y383 L384 Y464 | P376-V380 HydrophobicContact CG-CG2 4.1Å; P376-V380 WeakPolarHBondContact O-CG2 3.37Å; P376-V380 PolarHBondContact O-N 2.91Å; K378-V380 VanDerWaalsContact C-N 3.31Å; K378-V380 PolarHBondContact O-N 2.9Å; V380-Y383 PolarHBondContact O-N 2.93Å; V380-L384 HydrophobicContact CG1-CD1 4.05Å; V380-L384 PolarHBondContact O-N 3.38Å; V380-Y464 HydrophobicContact CB-CD2 4.27Å; V380-Y464 HydrophobicContact CG1-CD2 3.88Å; V380-Y464 HydrophobicContact CG1-CE2 3.9Å |
| 381 | S | 96.5 | Very high | 93.2 | Very high | 3 Ų | 3 | 78.9 Ų | 78.9 | 2% | 0.021 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -63.9 | -42.4 | 177.6 | 78.2 | 0 | 0 | 0 | 0 | 113.2 | A377 K378 Y383 L384 N385 E467 | A377-S381 WeakPolarHBondContact O-CB 3.44Å; A377-S381 PolarHBondContact O-N 2.94Å; A377-S381 PolarHBondContact O-OG 3.44Å; K378-S381 PolarHBondContact O-N 3.19Å; K378-S381 VanDerWaalsContact O-N 3.12Å; K378-S381 PolarHBondContact O-OG 3.23Å; S381-Y383 VanDerWaalsContact C-N 3.34Å; S381-Y383 PolarHBondContact O-N 3.5Å; S381-L384 PolarHBondContact O-N 2.93Å; S381-N385 VanDerWaalsContact O-CB 3.3Å; S381-N385 WeakPolarHBondContact O-CB 3.17Å; S381-N385 PolarHBondContact O-N 3.46Å; S381-E467 VanDerWaalsContact OG-CB 3.25Å; S381-E467 WeakPolarHBondContact OG-CB 3.43Å |
| 382 | E | 95.1 | Very high | 92.6 | Very high | 82 Ų | 82 | 82.2 Ų | 82.2 | 38% | 0.383 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.8 | -41.1 | 177.9 | -72.6 | 178 | 179.3 | 0 | 0 | 111 | K378 A379 R386 | K378-E382 WeakPolarHBondContact CE-OE1 3.39Å; K378-E382 WeakPolarHBondContact O-CG 3.33Å; K378-E382 PolarHBondContact O-N 3.12Å; A379-E382 PolarHBondContact O-N 3.45Å; E382-R386 VanDerWaalsContact O-CG 3.26Å; E382-R386 WeakPolarHBondContact O-CG 3.48Å; E382-R386 PolarHBondContact O-N 3.16Å |
| 383 | Y | 95.4 | Very high | 92.3 | Very high | 143 Ų | 143 | 80.4 Ų | 80.4 | 56% | 0.561 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -62.4 | -47.5 | 176.7 | 179.3 | -98 | 0 | 0 | 0 | 112.1 | A379 V380 S381 | A379-Y383 WeakPolarHBondContact O-CB 3.4Å; A379-Y383 PolarHBondContact O-N 3.17Å; V380-Y383 PolarHBondContact O-N 2.93Å; S381-Y383 VanDerWaalsContact C-N 3.34Å; S381-Y383 PolarHBondContact O-N 3.5Å |
| 384 | L | 93.9 | Very high | 91.9 | Very high | 49 Ų | 49 | 77.5 Ų | 77.5 | 26% | 0.257 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -73.1 | -35.9 | -177.6 | -71.8 | 174.9 | 0 | 0 | 0 | 112.9 | V380 S381 R386 Q387 H388 Y464 | V380-L384 HydrophobicContact CG1-CD1 4.05Å; V380-L384 PolarHBondContact O-N 3.38Å; S381-L384 PolarHBondContact O-N 2.93Å; L384-R386 VanDerWaalsContact C-N 3.26Å; L384-R386 PolarHBondContact O-N 3.18Å; L384-Q387 WeakPolarHBondContact O-CB 3.4Å; L384-Q387 PolarHBondContact O-N 3.46Å; L384-Q387 VanDerWaalsContact O-N 3.09Å; L384-H388 PolarHBondContact O-CD2 3.45Å; L384-Y464 HydrophobicContact CD1-CE2 3.84Å; L384-Y464 VanDerWaalsContact CD1-OH 3.27Å; L384-Y464 WeakPolarHBondContact CD1-OH 3.47Å |
| 385 | N | 92.9 | Very high | 91.6 | Very high | 10 Ų | 10 | 76.6 Ų | 76.6 | 5% | 0.053 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -65 | -29.7 | 177.3 | -79.9 | -7 | 0 | 0 | 0 | 112.7 | S381 Q387 H388 A468 | S381-N385 VanDerWaalsContact O-CB 3.3Å; S381-N385 WeakPolarHBondContact O-CB 3.17Å; S381-N385 PolarHBondContact O-N 3.46Å; N385-Q387 PolarHBondContact O-N 2.94Å; N385-Q387 VanDerWaalsContact O-N 3.15Å; N385-H388 PolarHBondContact O-N 2.92Å; N385-A468 PolarHBondContact ND2-O 3.24Å |
| 386 | R | 89.4 | Confident | 91.3 | Very high | 176 Ų | 176 | 75.5 Ų | 75.5 | 66% | 0.664 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -21.5 | 173.8 | -71.6 | 167.7 | -167.8 | -176.8 | 5.3 | 113.3 | E382 L384 H388 T389 | E382-R386 VanDerWaalsContact O-CG 3.26Å; E382-R386 WeakPolarHBondContact O-CG 3.48Å; E382-R386 PolarHBondContact O-N 3.16Å; L384-R386 VanDerWaalsContact C-N 3.26Å; L384-R386 PolarHBondContact O-N 3.18Å; R386-H388 VanDerWaalsContact C-N 3.28Å; R386-T389 WeakPolarHBondContact O-CG2 3.28Å |
| 387 | Q | 87.8 | Confident | 91.1 | Very high | 117 Ų | 117 | 74.7 Ų | 74.7 | 55% | 0.547 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -10 | 177.3 | -57 | -176.6 | -18.3 | 0 | 0 | 112.5 | L384 N385 | L384-Q387 WeakPolarHBondContact O-CB 3.4Å; L384-Q387 PolarHBondContact O-N 3.46Å; L384-Q387 VanDerWaalsContact O-N 3.09Å; N385-Q387 PolarHBondContact O-N 2.94Å; N385-Q387 VanDerWaalsContact O-N 3.15Å |
| 388 | H | 83.8 | Confident | 90.9 | Very high | 62 Ų | 62 | 76.7 Ų | 76.7 | 29% | 0.287 | 39% | 0.392 | S | S | . | . | trans | -119.3 | 69.9 | -175.2 | -64 | -61.9 | 0 | 0 | 0 | 110.7 | L384 N385 R386 L394 R397 M475 | L384-H388 PolarHBondContact O-CD2 3.45Å; N385-H388 PolarHBondContact O-N 2.92Å; R386-H388 VanDerWaalsContact C-N 3.28Å; H388-L394 VanDerWaalsContact O-CD2 3.24Å; H388-L394 WeakPolarHBondContact O-CD2 3.25Å; H388-R397 VanDerWaalsContact NE2-CZ 3.28Å; H388-R397 PolarHBondContact NE2-NE 2.86Å; H388-R397 PolarHBondContact NE2-NH2 2.84Å; H388-R397 VanDerWaalsContact NE2-NH2 3.14Å; H388-M475 WeakPolarHBondContact O-CE 3.46Å | ||
| 389 | T | 82.1 | Confident | 90.8 | Very high | 99 Ų | 99 | 74.4 Ų | 74.4 | 61% | 0.607 | 39% | 0.386 | S | S | * | . | trans | -97.3 | -12.2 | -177.5 | 53.7 | 0 | 0 | 0 | 0 | 114.6 | R386 P391 M475 | R386-T389 WeakPolarHBondContact O-CG2 3.28Å; T389-P391 VanDerWaalsContact O-CD 3.22Å; T389-P391 WeakPolarHBondContact O-CD 3.39Å; T389-M475 HydrophobicContact CG2-CE 4.21Å | ||
| 390 | D | 85.3 | Confident | 90.7 | Very high | 79 Ų | 79 | 76.1 Ų | 76.1 | 42% | 0.422 | 38% | 0.384 | S | S | . | . | trans | -67.4 | 115.6 | -177.4 | -169.1 | -32 | 0 | 0 | 0 | 110.9 | S392 D393 L394 | D390-S392 PolarHBondContact O-N 2.8Å; D390-S392 WeakPolarHBondContact OD1-CB 3.48Å; D390-S392 PolarHBondContact OD1-N 2.88Å; D390-S392 PolarHBondContact OD1-OG 3.3Å; D390-S392 PolarHBondContact OD2-OG 2.86Å; D390-D393 HydrophobicContact CB-CB 4.45Å; D390-D393 PolarHBondContact O-N 2.84Å; D390-D393 VanDerWaalsContact O-N 3.16Å; D390-L394 WeakPolarHBondContact O-CG 3.31Å; D390-L394 PolarHBondContact O-N 2.77Å | ||
| 391 | P | 84 | Confident | 90.7 | Very high | 74 Ų | 74 | 73.9 Ų | 73.9 | 48% | 0.481 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -33.7 | 178.4 | -30.4 | 39.7 | 0 | 0 | 0 | 115.1 | T389 D393 N479 | T389-P391 VanDerWaalsContact O-CD 3.22Å; T389-P391 WeakPolarHBondContact O-CD 3.39Å; P391-D393 VanDerWaalsContact C-N 3.3Å; P391-D393 PolarHBondContact O-N 3.32Å; P391-N479 WeakPolarHBondContact CB-ND2 3.43Å; P391-N479 WeakPolarHBondContact CG-ND2 3.02Å |
| 392 | S | 85.3 | Confident | 90.7 | Very high | 87 Ų | 87 | 77.6 Ų | 77.6 | 61% | 0.608 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -31.5 | -176.7 | 64.8 | 0 | 0 | 0 | 0 | 112.1 | D390 | D390-S392 PolarHBondContact O-N 2.8Å; D390-S392 WeakPolarHBondContact OD1-CB 3.48Å; D390-S392 PolarHBondContact OD1-N 2.88Å; D390-S392 PolarHBondContact OD1-OG 3.3Å; D390-S392 PolarHBondContact OD2-OG 2.86Å |
| 393 | D | 87.9 | Confident | 90.8 | Very high | 100 Ų | 100 | 76.3 Ų | 76.3 | 54% | 0.535 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -13.6 | -176.8 | -73.3 | -25.7 | 0 | 0 | 0 | 113.7 | D390 P391 H395 S396 R397 | D390-D393 HydrophobicContact CB-CB 4.45Å; D390-D393 PolarHBondContact O-N 2.84Å; D390-D393 VanDerWaalsContact O-N 3.16Å; P391-D393 VanDerWaalsContact C-N 3.3Å; P391-D393 PolarHBondContact O-N 3.32Å; D393-H395 VanDerWaalsContact C-N 3.26Å; D393-H395 PolarHBondContact O-N 3.12Å; D393-S396 PolarHBondContact O-N 3.25Å; D393-R397 WeakPolarHBondContact O-CB 3.5Å; D393-R397 PolarHBondContact O-N 3.05Å |
| 394 | L | 88.8 | Confident | 90.9 | Very high | 5 Ų | 5 | 71.8 Ų | 71.8 | 3% | 0.026 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -56.9 | -39.4 | -175 | -65.7 | -177 | 0 | 0 | 0 | 112.6 | H388 D390 R397 K398 M472 M475 F476 | H388-L394 VanDerWaalsContact O-CD2 3.24Å; H388-L394 WeakPolarHBondContact O-CD2 3.25Å; D390-L394 WeakPolarHBondContact O-CG 3.31Å; D390-L394 PolarHBondContact O-N 2.77Å; L394-R397 PolarHBondContact O-N 3.37Å; L394-K398 WeakPolarHBondContact O-CB 3.46Å; L394-K398 PolarHBondContact O-N 2.82Å; L394-M472 HydrophobicContact CB-CE 3.84Å; L394-M472 HydrophobicContact CD2-CE 3.6Å; L394-M472 HydrophobicContact CD2-SD 4.49Å; L394-M472 HydrophobicContact CG-CE 4.28Å; L394-M472 VanDerWaalsContact O-CE 3.22Å; L394-M472 WeakPolarHBondContact O-CE 3.36Å; L394-M475 HydrophobicContact CD1-CB 4.34Å; L394-M475 HydrophobicContact CD2-CE 4.01Å; L394-F476 HydrophobicContact CB-CE1 3.96Å; L394-F476 HydrophobicContact CB-CE2 4.01Å; L394-F476 HydrophobicContact CB-CZ 3.5Å |
| 395 | H | 90.8 | Very high | 91 | Very high | 115 Ų | 115 | 72.6 Ų | 72.6 | 53% | 0.532 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -69.2 | -46.8 | -178.9 | -170.3 | 74.5 | 0 | 0 | 0 | 111.4 | D393 R397 K398 N399 F476 | D393-H395 VanDerWaalsContact C-N 3.26Å; D393-H395 PolarHBondContact O-N 3.12Å; H395-R397 VanDerWaalsContact C-N 3.29Å; H395-R397 PolarHBondContact O-N 2.99Å; H395-K398 PolarHBondContact O-N 3.32Å; H395-N399 PolarHBondContact CD2-ND2 3.19Å; H395-N399 PolarHBondContact NE2-ND2 3.41Å; H395-N399 VanDerWaalsContact NE2-ND2 3.16Å; H395-N399 PolarHBondContact O-N 3.37Å; H395-N399 PolarHBondContact O-ND2 3.21Å; H395-F476 HydrophobicContact CB-CZ 4.36Å |
| 396 | S | 92.2 | Very high | 91.2 | Very high | 66 Ų | 66 | 76.5 Ų | 76.5 | 46% | 0.462 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -57.2 | -45 | 173.7 | -178.4 | 0 | 0 | 0 | 0 | 111.1 | D393 K398 N399 M400 | D393-S396 PolarHBondContact O-N 3.25Å; S396-K398 PolarHBondContact O-N 2.7Å; S396-N399 PolarHBondContact O-N 2.86Å; S396-M400 WeakPolarHBondContact O-CG 3.42Å; S396-M400 PolarHBondContact O-N 2.98Å |
| 397 | R | 92.8 | Very high | 91.6 | Very high | 55 Ų | 55 | 72.5 Ų | 72.5 | 21% | 0.208 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -61.1 | -46 | 177.7 | -176.2 | 58.4 | 173.7 | -178.7 | -3 | 112.7 | H388 D393 L394 H395 N399 M400 L401 M472 | H388-R397 VanDerWaalsContact NE2-CZ 3.28Å; H388-R397 PolarHBondContact NE2-NE 2.86Å; H388-R397 PolarHBondContact NE2-NH2 2.84Å; H388-R397 VanDerWaalsContact NE2-NH2 3.14Å; D393-R397 WeakPolarHBondContact O-CB 3.5Å; D393-R397 PolarHBondContact O-N 3.05Å; L394-R397 PolarHBondContact O-N 3.37Å; H395-R397 VanDerWaalsContact C-N 3.29Å; H395-R397 PolarHBondContact O-N 2.99Å; R397-N399 VanDerWaalsContact C-N 3.32Å; R397-N399 PolarHBondContact O-N 2.74Å; R397-M400 HydrophobicContact CB-CE 4.44Å; R397-M400 PolarHBondContact O-N 3.33Å; R397-L401 WeakPolarHBondContact O-CG 3.2Å; R397-L401 PolarHBondContact O-N 2.74Å; R397-M472 HydrophobicContact CB-CE 4.02Å; R397-M472 HydrophobicContact CG-CE 4.05Å; R397-M472 HydrophobicContact CG-SD 4.17Å |
| 398 | K | 93.6 | Very high | 92 | Very high | 56 Ų | 56 | 67.2 Ų | 67.2 | 24% | 0.243 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -59.4 | -43.4 | 176.3 | -178.6 | 171.1 | 175.8 | 168.8 | 0 | 111.4 | L394 H395 S396 L401 L402 L469 D473 F476 | L394-K398 WeakPolarHBondContact O-CB 3.46Å; L394-K398 PolarHBondContact O-N 2.82Å; H395-K398 PolarHBondContact O-N 3.32Å; S396-K398 PolarHBondContact O-N 2.7Å; K398-L401 PolarHBondContact O-N 3.28Å; K398-L402 HydrophobicContact CG-CD1 4.27Å; K398-L402 WeakPolarHBondContact O-CG 3.48Å; K398-L402 PolarHBondContact O-N 2.97Å; K398-L469 HydrophobicContact CG-CD2 3.95Å; K398-D473 IonicContact NZ-OD1 2.58Å; K398-D473 PolarHBondContact NZ-OD1 3.28Å; K398-F476 HydrophobicContact CB-CE2 4.37Å; K398-F476 HydrophobicContact CD-CE2 3.94Å |
| 399 | N | 94.9 | Very high | 92.6 | Very high | 74 Ų | 74 | 68.6 Ų | 68.6 | 40% | 0.396 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.2 | -40.9 | 177.9 | -68.5 | -16.6 | 0 | 0 | 0 | 111.9 | H395 S396 R397 L401 L402 A403 | H395-N399 PolarHBondContact CD2-ND2 3.19Å; H395-N399 PolarHBondContact NE2-ND2 3.41Å; H395-N399 VanDerWaalsContact NE2-ND2 3.16Å; H395-N399 PolarHBondContact O-N 3.37Å; H395-N399 PolarHBondContact O-ND2 3.21Å; S396-N399 PolarHBondContact O-N 2.86Å; R397-N399 VanDerWaalsContact C-N 3.32Å; R397-N399 PolarHBondContact O-N 2.74Å; N399-L401 PolarHBondContact O-N 2.96Å; N399-L402 PolarHBondContact O-N 3.09Å; N399-A403 WeakPolarHBondContact O-CB 3.35Å; N399-A403 PolarHBondContact O-N 3.15Å |
| 400 | M | 95.7 | Very high | 93.3 | Very high | 94 Ų | 94 | 68.6 Ų | 68.6 | 46% | 0.463 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.1 | -41.6 | 174.1 | -71.8 | -170.6 | -73 | 0 | 0 | 112.6 | S396 R397 T404 | S396-M400 WeakPolarHBondContact O-CG 3.42Å; S396-M400 PolarHBondContact O-N 2.98Å; R397-M400 HydrophobicContact CB-CE 4.44Å; R397-M400 PolarHBondContact O-N 3.33Å; M400-T404 WeakPolarHBondContact O-CB 3.28Å; M400-T404 PolarHBondContact O-N 2.79Å; M400-T404 PolarHBondContact O-OG1 3.12Å |
| 401 | L | 95.9 | Very high | 93.8 | Very high | 6 Ų | 6 | 69.4 Ų | 69.4 | 3% | 0.031 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64.3 | -43.8 | 177.4 | -70.1 | 171.4 | 0 | 0 | 0 | 111.8 | R397 K398 N399 T404 K405 L465 A468 L469 M472 | R397-L401 WeakPolarHBondContact O-CG 3.2Å; R397-L401 PolarHBondContact O-N 2.74Å; K398-L401 PolarHBondContact O-N 3.28Å; N399-L401 PolarHBondContact O-N 2.96Å; L401-T404 PolarHBondContact O-N 3.31Å; L401-K405 WeakPolarHBondContact O-CB 3.34Å; L401-K405 PolarHBondContact O-N 3.25Å; L401-L465 HydrophobicContact CD2-CD2 3.62Å; L401-A468 HydrophobicContact CD1-CB 4.05Å; L401-A468 HydrophobicContact CD2-CB 4.25Å; L401-L469 HydrophobicContact CB-CD2 3.74Å; L401-L469 HydrophobicContact CB-CG 4.09Å; L401-L469 HydrophobicContact CD1-CD2 4.19Å; L401-L469 HydrophobicContact CD1-CG 4.46Å; L401-M472 HydrophobicContact CD1-CG 3.88Å |
| 402 | L | 97.3 | Very high | 94.4 | Very high | 81 Ų | 81 | 66.8 Ų | 66.8 | 42% | 0.424 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.7 | -47.7 | 176.6 | -73.2 | 170 | 0 | 0 | 0 | 111.8 | K398 N399 T404 K405 Q406 L469 | K398-L402 HydrophobicContact CG-CD1 4.27Å; K398-L402 WeakPolarHBondContact O-CG 3.48Å; K398-L402 PolarHBondContact O-N 2.97Å; N399-L402 PolarHBondContact O-N 3.09Å; L402-T404 VanDerWaalsContact C-N 3.34Å; L402-T404 PolarHBondContact O-N 3.47Å; L402-K405 PolarHBondContact O-N 2.98Å; L402-Q406 PolarHBondContact O-N 3.43Å; L402-L469 HydrophobicContact CD2-CD1 3.72Å; L402-L469 HydrophobicContact CD2-CD2 4.08Å; L402-L469 HydrophobicContact CG-CD1 4.36Å; L402-L469 HydrophobicContact CG-CD2 3.93Å |
| 403 | A | 97.1 | Very high | 94.9 | Very high | 54 Ų | 54 | 65.9 Ų | 65.9 | 45% | 0.446 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60.4 | -43.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | N399 K405 Q406 L407 | N399-A403 WeakPolarHBondContact O-CB 3.35Å; N399-A403 PolarHBondContact O-N 3.15Å; A403-K405 PolarHBondContact O-N 3.43Å; A403-Q406 PolarHBondContact O-N 3.4Å; A403-L407 WeakPolarHBondContact O-CG 3.21Å; A403-L407 PolarHBondContact O-N 3.4Å |
| 404 | T | 97.3 | Very high | 95.3 | Very high | 48 Ų | 48 | 64 Ų | 64 | 29% | 0.294 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.4 | -44.7 | 177.1 | -53.4 | 0 | 0 | 0 | 0 | 111.1 | M400 L401 L402 Q406 L407 C408 L465 | M400-T404 WeakPolarHBondContact O-CB 3.28Å; M400-T404 PolarHBondContact O-N 2.79Å; M400-T404 PolarHBondContact O-OG1 3.12Å; L401-T404 PolarHBondContact O-N 3.31Å; L402-T404 VanDerWaalsContact C-N 3.34Å; L402-T404 PolarHBondContact O-N 3.47Å; T404-Q406 VanDerWaalsContact C-N 3.3Å; T404-Q406 PolarHBondContact O-N 3.43Å; T404-L407 PolarHBondContact O-N 2.84Å; T404-C408 PolarHBondContact O-N 2.87Å; T404-C408 PolarHBondContact O-SG 2.81Å; T404-L465 HydrophobicContact CG2-CD1 3.93Å; T404-L465 HydrophobicContact CG2-CD2 4.38Å |
| 405 | K | 96.6 | Very high | 95.7 | Very high | 67 Ų | 67 | 64.3 Ų | 64.3 | 29% | 0.291 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.3 | -41.9 | 178.3 | -177.5 | 175 | 172.3 | 174 | 0 | 111.5 | L401 L402 A403 C408 K409 L465 T466 L469 | L401-K405 WeakPolarHBondContact O-CB 3.34Å; L401-K405 PolarHBondContact O-N 3.25Å; L402-K405 PolarHBondContact O-N 2.98Å; A403-K405 PolarHBondContact O-N 3.43Å; K405-C408 PolarHBondContact O-N 2.91Å; K405-K409 PolarHBondContact O-N 3.42Å; K405-K409 VanDerWaalsContact O-N 3.08Å; K405-L465 HydrophobicContact CB-CB 4.31Å; K405-L465 HydrophobicContact CB-CD1 3.92Å; K405-T466 PolarHBondContact NZ-OG1 3.38Å; K405-L469 HydrophobicContact CD-CD1 4.26Å |
| 406 | Q | 97.1 | Very high | 95.8 | Very high | 91 Ų | 91 | 62 Ų | 62 | 43% | 0.425 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.2 | -45.4 | 178.2 | -177.1 | 56.3 | 35.1 | 0 | 0 | 112 | L402 A403 T404 C408 K409 E410 | L402-Q406 PolarHBondContact O-N 3.43Å; A403-Q406 PolarHBondContact O-N 3.4Å; T404-Q406 VanDerWaalsContact C-N 3.3Å; T404-Q406 PolarHBondContact O-N 3.43Å; Q406-C408 PolarHBondContact O-N 2.79Å; Q406-K409 WeakPolarHBondContact O-CB 3.4Å; Q406-K409 PolarHBondContact O-N 2.86Å; Q406-K409 VanDerWaalsContact O-N 3.14Å; Q406-E410 WeakPolarHBondContact CG-OE1 3.34Å; Q406-E410 PolarHBondContact NE2-OE1 3.43Å; Q406-E410 WeakPolarHBondContact O-CG 3.32Å; Q406-E410 PolarHBondContact O-N 2.9Å |
| 407 | L | 97.4 | Very high | 95.9 | Very high | 92 Ų | 92 | 62.6 Ų | 62.6 | 48% | 0.482 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.8 | -41.2 | 176.2 | -70 | 174.5 | 0 | 0 | 0 | 112.5 | A403 T404 K409 E410 F411 | A403-L407 WeakPolarHBondContact O-CG 3.21Å; A403-L407 PolarHBondContact O-N 3.4Å; T404-L407 PolarHBondContact O-N 2.84Å; L407-K409 VanDerWaalsContact C-N 3.29Å; L407-K409 PolarHBondContact O-N 2.84Å; L407-E410 PolarHBondContact O-N 3.37Å; L407-F411 PolarHBondContact O-N 3.4Å; L407-F411 VanDerWaalsContact O-N 3.11Å |
| 408 | C | 96.8 | Very high | 96 | Very high | 7 Ų | 7 | 61.2 Ų | 61.2 | 5% | 0.047 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.3 | -40.6 | 174.7 | -67.5 | 0 | 0 | 0 | 0 | 111.9 | T404 K405 Q406 T412 L458 Q462 | T404-C408 PolarHBondContact O-N 2.87Å; T404-C408 PolarHBondContact O-SG 2.81Å; K405-C408 PolarHBondContact O-N 2.91Å; Q406-C408 PolarHBondContact O-N 2.79Å; C408-T412 WeakPolarHBondContact O-CB 3.41Å; C408-T412 PolarHBondContact O-N 3.35Å; C408-T412 PolarHBondContact O-OG1 2.99Å; C408-L458 HydrophobicContact CB-CD2 4.45Å; C408-Q462 HydrophobicContact CB-CG 3.77Å |
| 409 | K | 95.3 | Very high | 96 | Very high | 91 Ų | 91 | 62.3 Ų | 62.3 | 40% | 0.396 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.9 | -49.6 | 178.1 | 176.5 | 166.8 | 171.6 | 42.5 | 0 | 111.8 | K405 Q406 L407 F411 T412 D413 | K405-K409 PolarHBondContact O-N 3.42Å; K405-K409 VanDerWaalsContact O-N 3.08Å; Q406-K409 WeakPolarHBondContact O-CB 3.4Å; Q406-K409 PolarHBondContact O-N 2.86Å; Q406-K409 VanDerWaalsContact O-N 3.14Å; L407-K409 VanDerWaalsContact C-N 3.29Å; L407-K409 PolarHBondContact O-N 2.84Å; K409-F411 VanDerWaalsContact C-N 3.29Å; K409-F411 PolarHBondContact O-N 3.44Å; K409-T412 PolarHBondContact O-N 2.8Å; K409-T412 VanDerWaalsContact O-N 3.13Å; K409-D413 WeakPolarHBondContact CG-OD2 3.5Å; K409-D413 IonicContact NZ-OD1 2.69Å; K409-D413 PolarHBondContact NZ-OD1 2.84Å; K409-D413 IonicContact NZ-OD2 3.43Å; K409-D413 PolarHBondContact NZ-OD2 3.45Å; K409-D413 WeakPolarHBondContact O-CB 3.08Å; K409-D413 VanDerWaalsContact O-CG 3.25Å; K409-D413 PolarHBondContact O-N 3.45Å |
| 410 | E | 97.1 | Very high | 95.9 | Very high | 98 Ų | 98 | 59.3 Ų | 59.3 | 46% | 0.458 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -56.2 | -44.3 | 178.5 | -74.2 | 169.7 | -162.5 | 0 | 0 | 112.2 | Q406 L407 D413 L414 | Q406-E410 WeakPolarHBondContact CG-OE1 3.34Å; Q406-E410 PolarHBondContact NE2-OE1 3.43Å; Q406-E410 WeakPolarHBondContact O-CG 3.32Å; Q406-E410 PolarHBondContact O-N 2.9Å; L407-E410 PolarHBondContact O-N 3.37Å; E410-D413 PolarHBondContact O-N 3.48Å; E410-L414 PolarHBondContact O-N 3.37Å |
| 411 | F | 96.7 | Very high | 95.6 | Very high | 96 Ų | 96 | 56.7 Ų | 56.7 | 42% | 0.421 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -67.9 | -39.3 | 178.1 | -175.1 | -129.9 | 0 | 0 | 0 | 112.4 | L407 K409 L414 L415 I454 L458 | L407-F411 PolarHBondContact O-N 3.4Å; L407-F411 VanDerWaalsContact O-N 3.11Å; K409-F411 VanDerWaalsContact C-N 3.29Å; K409-F411 PolarHBondContact O-N 3.44Å; F411-L414 HydrophobicContact CD2-CD2 4.49Å; F411-L414 PolarHBondContact O-N 3.41Å; F411-L415 HydrophobicContact CD1-CD1 4.44Å; F411-L415 HydrophobicContact CE1-CD1 3.99Å; F411-L415 HydrophobicContact CE2-CD1 4.42Å; F411-L415 HydrophobicContact CE2-CD2 4.34Å; F411-L415 HydrophobicContact CE2-CG 4.27Å; F411-L415 HydrophobicContact CZ-CD1 3.97Å; F411-L415 HydrophobicContact CZ-CD2 4.38Å; F411-L415 HydrophobicContact CZ-CG 4.29Å; F411-L415 WeakPolarHBondContact O-CG 3.14Å; F411-L415 PolarHBondContact O-N 2.99Å; F411-L415 VanDerWaalsContact O-N 3.08Å; F411-I454 HydrophobicContact CE1-CG2 3.93Å; F411-L458 HydrophobicContact CD1-CD1 3.54Å; F411-L458 HydrophobicContact CE1-CD1 4.04Å |
| 412 | T | 95.9 | Very high | 95.3 | Very high | 20 Ų | 20 | 57.5 Ų | 57.5 | 12% | 0.123 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.6 | -42.5 | 174.8 | -56.2 | 0 | 0 | 0 | 0 | 111.3 | C408 K409 L414 L415 A416 C455 | C408-T412 WeakPolarHBondContact O-CB 3.41Å; C408-T412 PolarHBondContact O-N 3.35Å; C408-T412 PolarHBondContact O-OG1 2.99Å; K409-T412 PolarHBondContact O-N 2.8Å; K409-T412 VanDerWaalsContact O-N 3.13Å; T412-L414 VanDerWaalsContact C-N 3.31Å; T412-L414 PolarHBondContact O-N 3.19Å; T412-L415 PolarHBondContact O-N 3.07Å; T412-A416 WeakPolarHBondContact O-CB 3.32Å; T412-A416 PolarHBondContact O-N 2.86Å; T412-C455 HydrophobicContact CG2-CB 4.22Å |
| 413 | D | 96.4 | Very high | 94.7 | Very high | 68 Ų | 68 | 54.8 Ų | 54.8 | 36% | 0.364 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.9 | -34.9 | 178.9 | -69.5 | -17.6 | 0 | 0 | 0 | 111.2 | K409 E410 Q417 | K409-D413 WeakPolarHBondContact CG-OD2 3.5Å; K409-D413 IonicContact NZ-OD1 2.69Å; K409-D413 PolarHBondContact NZ-OD1 2.84Å; K409-D413 IonicContact NZ-OD2 3.43Å; K409-D413 PolarHBondContact NZ-OD2 3.45Å; K409-D413 WeakPolarHBondContact O-CB 3.08Å; K409-D413 VanDerWaalsContact O-CG 3.25Å; K409-D413 PolarHBondContact O-N 3.45Å; E410-D413 PolarHBondContact O-N 3.48Å; D413-Q417 WeakPolarHBondContact O-CG 3.27Å; D413-Q417 PolarHBondContact O-N 2.88Å; D413-Q417 PolarHBondContact O-NE2 3.22Å |
| 414 | L | 96.2 | Very high | 93.9 | Very high | 60 Ų | 60 | 57.3 Ų | 57.3 | 31% | 0.314 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65 | -46.9 | 171.1 | 177.4 | 69.3 | 0 | 0 | 0 | 111.8 | E410 F411 T412 A416 Q417 L431 I435 | E410-L414 PolarHBondContact O-N 3.37Å; F411-L414 HydrophobicContact CD2-CD2 4.49Å; F411-L414 PolarHBondContact O-N 3.41Å; T412-L414 VanDerWaalsContact C-N 3.31Å; T412-L414 PolarHBondContact O-N 3.19Å; L414-A416 VanDerWaalsContact C-N 3.29Å; L414-A416 PolarHBondContact O-N 2.94Å; L414-Q417 WeakPolarHBondContact O-CB 3.31Å; L414-Q417 PolarHBondContact O-N 3.39Å; L414-Q417 VanDerWaalsContact O-N 3.08Å; L414-L431 HydrophobicContact CD1-CD1 4.37Å; L414-L431 HydrophobicContact CD1-CD2 3.83Å; L414-I435 HydrophobicContact CD1-CG2 4.44Å |
| 415 | L | 95.9 | Very high | 93.1 | Very high | 12 Ų | 12 | 58 Ų | 58 | 6% | 0.063 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.1 | -34.6 | 178.9 | -68.2 | 179 | 0 | 0 | 0 | 112.1 | F411 T412 Q417 D418 L439 I454 | F411-L415 HydrophobicContact CD1-CD1 4.44Å; F411-L415 HydrophobicContact CE1-CD1 3.99Å; F411-L415 HydrophobicContact CE2-CD1 4.42Å; F411-L415 HydrophobicContact CE2-CD2 4.34Å; F411-L415 HydrophobicContact CE2-CG 4.27Å; F411-L415 HydrophobicContact CZ-CD1 3.97Å; F411-L415 HydrophobicContact CZ-CD2 4.38Å; F411-L415 HydrophobicContact CZ-CG 4.29Å; F411-L415 WeakPolarHBondContact O-CG 3.14Å; F411-L415 PolarHBondContact O-N 2.99Å; F411-L415 VanDerWaalsContact O-N 3.08Å; T412-L415 PolarHBondContact O-N 3.07Å; L415-Q417 PolarHBondContact O-N 3.3Å; L415-D418 VanDerWaalsContact O-CB 3.29Å; L415-D418 WeakPolarHBondContact O-CB 3.37Å; L415-D418 PolarHBondContact O-N 3.15Å; L415-L439 HydrophobicContact CD2-CD2 3.76Å; L415-I454 HydrophobicContact CD1-CB 4.09Å; L415-I454 HydrophobicContact CD1-CG2 3.64Å |
| 416 | A | 94 | Very high | 92.4 | Very high | 66 Ų | 66 | 60.9 Ų | 60.9 | 55% | 0.545 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -17.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | T412 L414 R419 | T412-A416 WeakPolarHBondContact O-CB 3.32Å; T412-A416 PolarHBondContact O-N 2.86Å; L414-A416 VanDerWaalsContact C-N 3.29Å; L414-A416 PolarHBondContact O-N 2.94Å; A416-R419 PolarHBondContact O-NH1 2.91Å |
| 417 | Q | 94.5 | Very high | 92 | Very high | 78 Ų | 78 | 59 Ų | 59 | 36% | 0.364 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -3.7 | 174.3 | -69.1 | 169.9 | 62.1 | 0 | 0 | 113.1 | D413 L414 L415 R419 I430 L431 | D413-Q417 WeakPolarHBondContact O-CG 3.27Å; D413-Q417 PolarHBondContact O-N 2.88Å; D413-Q417 PolarHBondContact O-NE2 3.22Å; L414-Q417 WeakPolarHBondContact O-CB 3.31Å; L414-Q417 PolarHBondContact O-N 3.39Å; L414-Q417 VanDerWaalsContact O-N 3.08Å; L415-Q417 PolarHBondContact O-N 3.3Å; Q417-R419 WeakPolarHBondContact O-CG 3.4Å; Q417-R419 PolarHBondContact O-N 3.41Å; Q417-R419 PolarHBondContact O-NH1 2.81Å; Q417-I430 HydrophobicContact CB-CD1 3.86Å; Q417-I430 HydrophobicContact CB-CG1 4.35Å; Q417-I430 HydrophobicContact CG-CD1 4Å; Q417-L431 HydrophobicContact CB-CD1 4.1Å; Q417-L431 HydrophobicContact CB-CD2 3.78Å; Q417-L431 HydrophobicContact CB-CG 4.01Å |
| 418 | D | 94.5 | Very high | 91.5 | Very high | 27 Ų | 27 | 59.1 Ų | 59.1 | 14% | 0.144 | 32% | 0.319 | C | S | . | . | trans | -57.8 | 126.6 | 174.8 | -173.9 | 9.8 | 0 | 0 | 0 | 110.3 | L415 T420 Q436 L439 S443 | L415-D418 VanDerWaalsContact O-CB 3.29Å; L415-D418 WeakPolarHBondContact O-CB 3.37Å; L415-D418 PolarHBondContact O-N 3.15Å; D418-T420 VanDerWaalsContact CG-OG1 3.24Å; D418-T420 WeakPolarHBondContact OD1-CB 3.45Å; D418-T420 PolarHBondContact OD1-N 2.91Å; D418-T420 PolarHBondContact OD1-OG1 2.79Å; D418-T420 PolarHBondContact OD2-OG1 3.35Å; D418-T420 VanDerWaalsContact OD2-OG1 3.07Å; D418-Q436 PolarHBondContact OD1-NE2 3.5Å; D418-L439 HydrophobicContact CB-CD1 4.21Å; D418-S443 PolarHBondContact OD2-OG 3.45Å | ||
| 419 | R | 93.9 | Very high | 91.1 | Very high | 79 Ų | 79 | 62.7 Ų | 62.7 | 30% | 0.298 | 34% | 0.343 | S | S | . | . | trans | -114 | 29.9 | 177.2 | -63.2 | -53.1 | -180 | -110 | 1.6 | 112.1 | A416 Q417 P427 S428 I430 | A416-R419 PolarHBondContact O-NH1 2.91Å; Q417-R419 WeakPolarHBondContact O-CG 3.4Å; Q417-R419 PolarHBondContact O-N 3.41Å; Q417-R419 PolarHBondContact O-NH1 2.81Å; R419-P427 HydrophobicContact CB-CB 4.09Å; R419-P427 HydrophobicContact CB-CG 3.73Å; R419-P427 HydrophobicContact CG-CB 4.21Å; R419-P427 HydrophobicContact CG-CG 4.27Å; R419-P427 WeakPolarHBondContact O-CG 3.21Å; R419-S428 WeakPolarHBondContact CG-O 3.03Å; R419-I430 HydrophobicContact CG-CD1 4.4Å; R419-I430 HydrophobicContact CG-CG1 3.99Å | ||
| 420 | T | 92.9 | Very high | 91.1 | Very high | 10 Ų | 10 | 62.9 Ų | 62.9 | 6% | 0.061 | 35% | 0.347 | C | S | . | . | trans | -59.4 | 127.8 | 174.1 | -59.4 | 0 | 0 | 0 | 0 | 110.9 | D418 I422 Q436 T440 L444 | D418-T420 VanDerWaalsContact CG-OG1 3.24Å; D418-T420 WeakPolarHBondContact OD1-CB 3.45Å; D418-T420 PolarHBondContact OD1-N 2.91Å; D418-T420 PolarHBondContact OD1-OG1 2.79Å; D418-T420 PolarHBondContact OD2-OG1 3.35Å; D418-T420 VanDerWaalsContact OD2-OG1 3.07Å; T420-I422 HydrophobicContact CG2-CD1 4.05Å; T420-I422 HydrophobicContact CG2-CG1 3.93Å; T420-I422 PolarHBondContact O-N 2.7Å; T420-Q436 PolarHBondContact OG1-NE2 3.39Å; T420-T440 HydrophobicContact CG2-CG2 4.02Å; T420-T440 WeakPolarHBondContact OG1-CA 3.17Å; T420-T440 PolarHBondContact OG1-N 2.61Å; T420-T440 PolarHBondContact OG1-OG1 2.84Å; T420-L444 HydrophobicContact CG2-CD2 4.47Å; T420-L444 HydrophobicContact CG2-CG 4.37Å | ||
| 421 | P | 89 | Confident | 91 | Very high | 40 Ų | 40 | 59.3 Ų | 59.3 | 26% | 0.26 | 33% | 0.331 | S | S | . | . | trans | -74.6 | 84.2 | 179.6 | 29.7 | -35.5 | 0 | 0 | 0 | 111.7 | R299 S425 | R299-P421 VanDerWaalsContact CD-O 3.29Å; R299-P421 WeakPolarHBondContact CD-O 3.2Å; R299-P421 PolarHBondContact NE-O 3.05Å; R299-P421 PolarHBondContact NH1-O 3.44Å; P421-S425 WeakPolarHBondContact CA-O 3.36Å | ||
| 422 | I | 88.8 | Confident | 90.9 | Very high | 23 Ų | 23 | 60.4 Ų | 60.4 | 12% | 0.118 | 34% | 0.337 | C | S | . | . | trans | -101.1 | 147.2 | 173.1 | -61.1 | -63.9 | 0 | 0 | 0 | 110.1 | E357 T420 N424 S425 L444 | E357-I422 HydrophobicContact CG-CG2 4.38Å; T420-I422 HydrophobicContact CG2-CD1 4.05Å; T420-I422 HydrophobicContact CG2-CG1 3.93Å; T420-I422 PolarHBondContact O-N 2.7Å; I422-N424 PolarHBondContact O-N 3.16Å; I422-S425 PolarHBondContact O-N 2.9Å; I422-S425 PolarHBondContact O-OG 2.7Å; I422-L444 HydrophobicContact CD1-CD2 4.02Å | ||
| 423 | G | 85.8 | Confident | 90.8 | Very high | 24 Ų | 24 | 63.2 Ų | 63.2 | 25% | 0.247 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.4 | -129 | -175.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | R299 E357 | R299-G423 PolarHBondContact NH1-O 2.73Å; R299-G423 PolarHBondContact NH2-O 3.31Å; E357-G423 WeakPolarHBondContact OE2-CA 3.18Å; E357-G423 PolarHBondContact OE2-N 2.58Å |
| 424 | N | 80.7 | Confident | 90.8 | Very high | 107 Ų | 107 | 61.6 Ų | 61.6 | 57% | 0.572 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | -0.9 | 179.5 | -69.1 | -14.1 | 0 | 0 | 0 | 113.4 | I422 | I422-N424 PolarHBondContact O-N 3.16Š|
| 425 | S | 78.8 | Confident | 90.8 | Very high | 62 Ų | 62 | 62.3 Ų | 62.3 | 43% | 0.434 | 36% | 0.359 | S | S | . | . | trans | -78.9 | 139.1 | 179.3 | 70.5 | 0 | 0 | 0 | 0 | 110.5 | P421 I422 P427 | P421-S425 WeakPolarHBondContact CA-O 3.36Å; I422-S425 PolarHBondContact O-N 2.9Å; I422-S425 PolarHBondContact O-OG 2.7Å; S425-P427 VanDerWaalsContact C-CD 3.49Å | ||
| 426 | R | 82.3 | Confident | 90.8 | Very high | 128 Ų | 128 | 62.3 Ų | 62.3 | 48% | 0.483 | 36% | 0.358 | S | S | . | . | trans | -134.5 | 65.1 | 172.8 | -63.7 | -160.6 | -178.8 | -79.1 | -1.1 | 110.6 | T270 | T270-R426 VanDerWaalsContact CG2-NH2 3.28Å; T270-R426 PolarHBondContact OG1-NE 3.34Å; T270-R426 PolarHBondContact OG1-NH2 2.73Å | ||
| 427 | P | 88.1 | Confident | 90.8 | Very high | 50 Ų | 50 | 61.8 Ų | 61.8 | 33% | 0.325 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 152.7 | 178.8 | 29.6 | -33.3 | 0 | 0 | 0 | 111.7 | R419 S425 | R419-P427 HydrophobicContact CB-CB 4.09Å; R419-P427 HydrophobicContact CB-CG 3.73Å; R419-P427 HydrophobicContact CG-CB 4.21Å; R419-P427 HydrophobicContact CG-CG 4.27Å; R419-P427 WeakPolarHBondContact O-CG 3.21Å; S425-P427 VanDerWaalsContact C-CD 3.49Å |
| 428 | S | 87.9 | Confident | 90.9 | Very high | 96 Ų | 96 | 62.2 Ų | 62.2 | 67% | 0.671 | 36% | 0.361 | S | S | * | . | P | Polyproline II helix | trans | -68.4 | 132.8 | 168.7 | -174.6 | 0 | 0 | 0 | 0 | 109.7 | R419 I430 | R419-S428 WeakPolarHBondContact CG-O 3.03Å; S428-I430 PolarHBondContact O-N 2.79Å |
| 429 | P | 89.3 | Confident | 91 | Very high | 82 Ų | 82 | 61.9 Ų | 61.9 | 53% | 0.532 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -53.2 | 136.9 | 169 | -27.6 | 37 | 0 | 0 | 0 | 111.7 | Q436 | P429-Q436 HydrophobicContact CB-CG 4.21Š|
| 430 | I | 94 | Very high | 91.1 | Very high | 95 Ų | 95 | 59.8 Ų | 59.8 | 49% | 0.487 | 36% | 0.355 | S | S | . | . | trans | -118.6 | -19.7 | 175.1 | 62.8 | 176.2 | 0 | 0 | 0 | 112.4 | Q417 R419 S428 | Q417-I430 HydrophobicContact CB-CD1 3.86Å; Q417-I430 HydrophobicContact CB-CG1 4.35Å; Q417-I430 HydrophobicContact CG-CD1 4Å; R419-I430 HydrophobicContact CG-CD1 4.4Å; R419-I430 HydrophobicContact CG-CG1 3.99Å; S428-I430 PolarHBondContact O-N 2.79Å | ||
| 431 | L | 94.9 | Very high | 91.2 | Very high | 23 Ų | 23 | 64 Ų | 64 | 12% | 0.12 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -84.1 | 159.5 | 178.7 | -66.7 | 175.5 | 0 | 0 | 0 | 110.9 | L414 Q417 I435 Q436 L439 | L414-L431 HydrophobicContact CD1-CD1 4.37Å; L414-L431 HydrophobicContact CD1-CD2 3.83Å; Q417-L431 HydrophobicContact CB-CD1 4.1Å; Q417-L431 HydrophobicContact CB-CD2 3.78Å; Q417-L431 HydrophobicContact CB-CG 4.01Å; L431-I435 HydrophobicContact CD1-CG2 4.29Å; L431-Q436 HydrophobicContact CB-CB 4.16Å; L431-L439 HydrophobicContact CD1-CD1 3.56Å |
| 432 | E | 95.1 | Very high | 91.6 | Very high | 118 Ų | 118 | 65.2 Ų | 65.2 | 55% | 0.551 | 38% | 0.375 | S | S | * | . | trans | -53.7 | 137.4 | 171.4 | -173.2 | -86.9 | 131.3 | 0 | 0 | 110.2 | G434 I435 Q436 | E432-G434 VanDerWaalsContact C-N 3.28Å; E432-G434 VanDerWaalsContact CD-N 3.34Å; E432-G434 PolarHBondContact O-N 3.43Å; E432-G434 PolarHBondContact OE1-N 3.36Å; E432-G434 PolarHBondContact OE2-N 2.94Å; E432-I435 PolarHBondContact O-N 3.11Å; E432-I435 VanDerWaalsContact O-N 3.12Å; E432-I435 PolarHBondContact OE2-N 3.3Å; E432-Q436 PolarHBondContact O-N 3Å | ||
| 433 | P | 93.7 | Very high | 91.9 | Very high | 79 Ų | 79 | 64.3 Ų | 64.3 | 51% | 0.513 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -56.2 | -36.7 | -170.7 | -28.9 | 36.1 | 0 | 0 | 0 | 114.7 | S437 | P433-S437 WeakPolarHBondContact O-CB 3.39Å; P433-S437 PolarHBondContact O-N 3.24Å |
| 434 | G | 95.9 | Very high | 92.4 | Very high | 34 Ų | 34 | 64.6 Ų | 64.6 | 35% | 0.351 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.6 | -50.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E432 S437 C438 | E432-G434 VanDerWaalsContact C-N 3.28Å; E432-G434 VanDerWaalsContact CD-N 3.34Å; E432-G434 PolarHBondContact O-N 3.43Å; E432-G434 PolarHBondContact OE1-N 3.36Å; E432-G434 PolarHBondContact OE2-N 2.94Å; G434-S437 PolarHBondContact O-N 3.43Å; G434-C438 PolarHBondContact O-N 3.41Å; G434-C438 PolarHBondContact O-SG 3.36Å; G434-C438 VanDerWaalsContact O-SG 3.39Å |
| 435 | I | 95.9 | Very high | 93.1 | Very high | 76 Ų | 76 | 62 Ų | 62 | 39% | 0.39 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.1 | -47.6 | 176.7 | -60.5 | -56.4 | 0 | 0 | 0 | 111.7 | L414 L431 E432 S437 C438 L439 | L414-I435 HydrophobicContact CD1-CG2 4.44Å; L431-I435 HydrophobicContact CD1-CG2 4.29Å; E432-I435 PolarHBondContact O-N 3.11Å; E432-I435 VanDerWaalsContact O-N 3.12Å; E432-I435 PolarHBondContact OE2-N 3.3Å; I435-S437 VanDerWaalsContact C-N 3.26Å; I435-S437 PolarHBondContact O-N 3.04Å; I435-C438 PolarHBondContact O-N 2.63Å; I435-L439 HydrophobicContact CG2-CD1 3.96Å; I435-L439 HydrophobicContact CG2-CG 4.37Å; I435-L439 WeakPolarHBondContact O-CG 3.34Å; I435-L439 PolarHBondContact O-N 3.23Å |
| 436 | Q | 95.8 | Very high | 93.9 | Very high | 11 Ų | 11 | 59.4 Ų | 59.4 | 5% | 0.051 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.6 | -37.8 | 179.6 | -175.1 | 60.4 | 61.5 | 0 | 0 | 111.5 | D418 T420 P429 L431 E432 L439 T440 | D418-Q436 PolarHBondContact OD1-NE2 3.5Å; T420-Q436 PolarHBondContact OG1-NE2 3.39Å; P429-Q436 HydrophobicContact CB-CG 4.21Å; L431-Q436 HydrophobicContact CB-CB 4.16Å; E432-Q436 PolarHBondContact O-N 3Å; Q436-L439 PolarHBondContact O-N 3.09Å; Q436-T440 PolarHBondContact NE2-OG1 3.09Å; Q436-T440 WeakPolarHBondContact O-CB 3.49Å; Q436-T440 PolarHBondContact O-N 2.95Å; Q436-T440 PolarHBondContact O-OG1 3.2Å |
| 437 | S | 95.3 | Very high | 94.6 | Very high | 55 Ų | 55 | 53.4 Ų | 53.4 | 39% | 0.385 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.4 | -45.2 | 176.8 | -177 | 0 | 0 | 0 | 0 | 111.9 | P433 G434 I435 T440 H441 | P433-S437 WeakPolarHBondContact O-CB 3.39Å; P433-S437 PolarHBondContact O-N 3.24Å; G434-S437 PolarHBondContact O-N 3.43Å; I435-S437 VanDerWaalsContact C-N 3.26Å; I435-S437 PolarHBondContact O-N 3.04Å; S437-T440 PolarHBondContact O-N 3.17Å; S437-H441 PolarHBondContact O-N 2.97Å |
| 438 | C | 96.4 | Very high | 94.9 | Very high | 87 Ų | 87 | 51.5 Ų | 51.5 | 59% | 0.588 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -62.6 | -45.1 | 176.6 | -69 | 0 | 0 | 0 | 0 | 112.2 | G434 I435 H441 F442 | G434-C438 PolarHBondContact O-N 3.41Å; G434-C438 PolarHBondContact O-SG 3.36Å; G434-C438 VanDerWaalsContact O-SG 3.39Å; I435-C438 PolarHBondContact O-N 2.63Å; C438-H441 PolarHBondContact O-N 3.28Å; C438-F442 PolarHBondContact O-N 3.38Å; C438-F442 VanDerWaalsContact O-N 3.07Å |
| 439 | L | 96.2 | Very high | 95.3 | Very high | 21 Ų | 21 | 48.7 Ų | 48.7 | 11% | 0.11 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.6 | -40.4 | 176.7 | -67.4 | 176.4 | 0 | 0 | 0 | 111.5 | L415 D418 L431 I435 Q436 H441 F442 S443 | L415-L439 HydrophobicContact CD2-CD2 3.76Å; D418-L439 HydrophobicContact CB-CD1 4.21Å; L431-L439 HydrophobicContact CD1-CD1 3.56Å; I435-L439 HydrophobicContact CG2-CD1 3.96Å; I435-L439 HydrophobicContact CG2-CG 4.37Å; I435-L439 WeakPolarHBondContact O-CG 3.34Å; I435-L439 PolarHBondContact O-N 3.23Å; Q436-L439 PolarHBondContact O-N 3.09Å; L439-H441 PolarHBondContact O-N 2.87Å; L439-F442 PolarHBondContact O-N 3.47Å; L439-S443 VanDerWaalsContact O-CB 3.31Å; L439-S443 WeakPolarHBondContact O-CB 3.32Å; L439-S443 PolarHBondContact O-N 3.05Å; L439-S443 PolarHBondContact O-OG 3Å |
| 440 | T | 95.8 | Very high | 95.7 | Very high | 35 Ų | 35 | 45 Ų | 45 | 22% | 0.215 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57.9 | -48.3 | 173.7 | -60.6 | 0 | 0 | 0 | 0 | 111.3 | T420 Q436 S437 F442 S443 L444 | T420-T440 HydrophobicContact CG2-CG2 4.02Å; T420-T440 WeakPolarHBondContact OG1-CA 3.17Å; T420-T440 PolarHBondContact OG1-N 2.61Å; T420-T440 PolarHBondContact OG1-OG1 2.84Å; Q436-T440 PolarHBondContact NE2-OG1 3.09Å; Q436-T440 WeakPolarHBondContact O-CB 3.49Å; Q436-T440 PolarHBondContact O-N 2.95Å; Q436-T440 PolarHBondContact O-OG1 3.2Å; S437-T440 PolarHBondContact O-N 3.17Å; T440-F442 VanDerWaalsContact C-N 3.33Å; T440-F442 PolarHBondContact O-N 3.44Å; T440-S443 PolarHBondContact O-N 3.22Å; T440-L444 HydrophobicContact CG2-CD1 3.73Å; T440-L444 HydrophobicContact CG2-CG 4.21Å; T440-L444 WeakPolarHBondContact O-CB 3.41Å; T440-L444 WeakPolarHBondContact O-CG 3.45Å; T440-L444 PolarHBondContact O-N 3.24Å |
| 441 | H | 95.5 | Very high | 95.8 | Very high | 99 Ų | 99 | 40.9 Ų | 40.9 | 46% | 0.458 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -56.5 | -48.7 | 176.2 | -177.8 | -106.2 | 0 | 0 | 0 | 111.6 | P304 S437 C438 L439 L444 I445 | P304-H441 VanDerWaalsContact CB-CD2 3.41Å; P304-H441 WeakPolarHBondContact CB-CD2 3.29Å; P304-H441 WeakPolarHBondContact CB-NE2 3.38Å; S437-H441 PolarHBondContact O-N 2.97Å; C438-H441 PolarHBondContact O-N 3.28Å; L439-H441 PolarHBondContact O-N 2.87Å; H441-L444 PolarHBondContact O-N 3.08Å; H441-I445 WeakPolarHBondContact O-CG1 3.46Å; H441-I445 PolarHBondContact O-N 3.16Å; H441-I445 VanDerWaalsContact O-N 3.09Å |
| 442 | F | 96.6 | Very high | 95.9 | Very high | 64 Ų | 64 | 43 Ų | 43 | 28% | 0.281 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.6 | -47.3 | 179 | 179 | -115.4 | 0 | 0 | 0 | 113 | C438 L439 T440 L444 I445 T446 G450 A451 I454 | C438-F442 PolarHBondContact O-N 3.38Å; C438-F442 VanDerWaalsContact O-N 3.07Å; L439-F442 PolarHBondContact O-N 3.47Å; T440-F442 VanDerWaalsContact C-N 3.33Å; T440-F442 PolarHBondContact O-N 3.44Å; F442-L444 VanDerWaalsContact C-N 3.32Å; F442-L444 PolarHBondContact O-N 3.36Å; F442-I445 VanDerWaalsContact O-CG1 3.27Å; F442-I445 WeakPolarHBondContact O-CG1 2.98Å; F442-I445 PolarHBondContact O-N 3.39Å; F442-T446 HydrophobicContact CD2-CG2 4Å; F442-T446 HydrophobicContact CE2-CG2 3.68Å; F442-T446 HydrophobicContact CZ-CG2 4.05Å; F442-T446 WeakPolarHBondContact O-CB 3.31Å; F442-T446 WeakPolarHBondContact O-CG2 3.33Å; F442-T446 PolarHBondContact O-N 3.36Å; F442-T446 PolarHBondContact O-OG1 3.4Å; F442-G450 VanDerWaalsContact CE1-C 3.47Å; F442-A451 HydrophobicContact CE1-CB 4.43Å; F442-I454 HydrophobicContact CE1-CD1 3.84Å; F442-I454 HydrophobicContact CZ-CD1 3.74Å |
| 443 | S | 96.3 | Very high | 96 | Very high | 5 Ų | 5 | 37.8 Ų | 37.8 | 4% | 0.035 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.6 | -35.7 | 179.3 | -76 | 0 | 0 | 0 | 0 | 111.8 | D418 L439 T440 T446 H447 G448 | D418-S443 PolarHBondContact OD2-OG 3.45Å; L439-S443 VanDerWaalsContact O-CB 3.31Å; L439-S443 WeakPolarHBondContact O-CB 3.32Å; L439-S443 PolarHBondContact O-N 3.05Å; L439-S443 PolarHBondContact O-OG 3Å; T440-S443 PolarHBondContact O-N 3.22Å; S443-T446 PolarHBondContact O-OG1 3.03Å; S443-H447 WeakPolarHBondContact O-CA 3.42Å; S443-H447 PolarHBondContact O-N 2.87Å; S443-G448 PolarHBondContact O-N 3.38Å |
| 444 | L | 95.6 | Very high | 96.2 | Very high | 29 Ų | 29 | 35.4 Ų | 35.4 | 15% | 0.152 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -69.2 | -46.5 | 175.4 | -69.7 | 175.6 | 0 | 0 | 0 | 112.7 | R299 P304 T420 I422 T440 H441 F442 T446 H447 | R299-L444 HydrophobicContact CB-CD2 4.26Å; R299-L444 VanDerWaalsContact CD-CD2 3.47Å; R299-L444 HydrophobicContact CG-CD2 4.07Å; P304-L444 HydrophobicContact CG-CB 3.87Å; P304-L444 HydrophobicContact CG-CD1 4.42Å; T420-L444 HydrophobicContact CG2-CD2 4.47Å; T420-L444 HydrophobicContact CG2-CG 4.37Å; I422-L444 HydrophobicContact CD1-CD2 4.02Å; T440-L444 HydrophobicContact CG2-CD1 3.73Å; T440-L444 HydrophobicContact CG2-CG 4.21Å; T440-L444 WeakPolarHBondContact O-CB 3.41Å; T440-L444 WeakPolarHBondContact O-CG 3.45Å; T440-L444 PolarHBondContact O-N 3.24Å; H441-L444 PolarHBondContact O-N 3.08Å; F442-L444 VanDerWaalsContact C-N 3.32Å; F442-L444 PolarHBondContact O-N 3.36Å; L444-T446 VanDerWaalsContact C-N 3.27Å; L444-T446 PolarHBondContact O-N 3.42Å; L444-H447 PolarHBondContact O-N 2.7Å |
| 445 | I | 95.3 | Very high | 96.2 | Very high | 53 Ų | 53 | 35 Ų | 35 | 27% | 0.272 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -71.2 | -23.8 | 179.5 | 65.3 | 173.1 | 0 | 0 | 0 | 113 | P304 H441 F442 H447 | P304-I445 HydrophobicContact CB-CG2 3.95Å; P304-I445 HydrophobicContact CG-CG2 3.5Å; P304-I445 VanDerWaalsContact CG-CG2 3.5Å; H441-I445 WeakPolarHBondContact O-CG1 3.46Å; H441-I445 PolarHBondContact O-N 3.16Å; H441-I445 VanDerWaalsContact O-N 3.09Å; F442-I445 VanDerWaalsContact O-CG1 3.27Å; F442-I445 WeakPolarHBondContact O-CG1 2.98Å; F442-I445 PolarHBondContact O-N 3.39Å; I445-H447 PolarHBondContact O-CE1 3.27Å; I445-H447 PolarHBondContact O-ND1 3.37Å |
| 446 | T | 96.3 | Very high | 96.3 | Very high | 8 Ų | 8 | 32 Ų | 32 | 5% | 0.049 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96 | -2 | 176.8 | 62.6 | 0 | 0 | 0 | 0 | 113.2 | L352 F442 S443 L444 G448 F449 G450 | L352-T446 HydrophobicContact CD1-CG2 3.87Å; F442-T446 HydrophobicContact CD2-CG2 4Å; F442-T446 HydrophobicContact CE2-CG2 3.68Å; F442-T446 HydrophobicContact CZ-CG2 4.05Å; F442-T446 WeakPolarHBondContact O-CB 3.31Å; F442-T446 WeakPolarHBondContact O-CG2 3.33Å; F442-T446 PolarHBondContact O-N 3.36Å; F442-T446 PolarHBondContact O-OG1 3.4Å; S443-T446 PolarHBondContact O-OG1 3.03Å; L444-T446 VanDerWaalsContact C-N 3.27Å; L444-T446 PolarHBondContact O-N 3.42Å; T446-G448 PolarHBondContact O-N 2.85Å; T446-F449 WeakPolarHBondContact O-CB 3.43Å; T446-F449 PolarHBondContact O-N 3.24Å; T446-F449 VanDerWaalsContact O-N 3.09Å; T446-G450 PolarHBondContact OG1-N 2.92Å; T446-G450 VanDerWaalsContact OG1-N 3.15Å |
| 447 | H | 95.7 | Very high | 96.4 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.009 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | 33.3 | 178.6 | -50.5 | 77 | 0 | 0 | 0 | 112.9 | R300 E305 L352 E357 A360 S443 L444 I445 F449 | R300-H447 VanDerWaalsContact CZ-CD2 3.42Å; R300-H447 PolarHBondContact NH1-NE2 3.46Å; R300-H447 VanDerWaalsContact NH1-NE2 3.16Å; R300-H447 PolarHBondContact NH2-CD2 3.47Å; R300-H447 VanDerWaalsContact NH2-CD2 3.3Å; R300-H447 PolarHBondContact NH2-NE2 2.95Å; R300-H447 VanDerWaalsContact NH2-NE2 3.11Å; E305-H447 IonicContact OE1-CE1 3.35Å; E305-H447 PolarHBondContact OE1-CE1 2.88Å; E305-H447 IonicContact OE1-NE2 3.52Å; E305-H447 IonicContact OE2-NE2 3.42Å; E305-H447 PolarHBondContact OE2-NE2 2.72Å; L352-H447 PolarHBondContact O-ND1 3.47Å; E357-H447 HydrophobicContact CG-CB 4.13Å; A360-H447 HydrophobicContact CB-CB 3.75Å; A360-H447 VanDerWaalsContact CB-O 3.28Å; A360-H447 WeakPolarHBondContact CB-O 3.26Å; S443-H447 WeakPolarHBondContact O-CA 3.42Å; S443-H447 PolarHBondContact O-N 2.87Å; L444-H447 PolarHBondContact O-N 2.7Å; I445-H447 PolarHBondContact O-CE1 3.27Å; I445-H447 PolarHBondContact O-ND1 3.37Å; H447-F449 VanDerWaalsContact C-N 3.34Å |
| 448 | G | 95.1 | Very high | 96.5 | Very high | 10 Ų | 10 | 31 Ų | 31 | 10% | 0.103 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.5 | 0.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | S443 T446 P452 | S443-G448 PolarHBondContact O-N 3.38Å; T446-G448 PolarHBondContact O-N 2.85Å; G448-P452 WeakPolarHBondContact O-CD 3.39Å; G448-P452 WeakPolarHBondContact O-CG 3.28Å |
| 449 | F | 97.4 | Very high | 96.5 | Very high | 37 Ų | 37 | 29.6 Ų | 29.6 | 16% | 0.162 | 17% | 0.17 | C | C | . | . | trans | -74.3 | -40 | 175.7 | 169.7 | -97.4 | 0 | 0 | 0 | 112.9 | L352 A360 L363 A364 T446 H447 P452 A453 | L352-F449 HydrophobicContact CD1-CD1 4.49Å; L352-F449 HydrophobicContact CD2-CD1 4.09Å; L352-F449 HydrophobicContact CD2-CG 4.48Å; A360-F449 HydrophobicContact CB-CB 4.03Å; L363-F449 HydrophobicContact CB-CD2 4.29Å; L363-F449 HydrophobicContact CB-CE2 4.49Å; L363-F449 HydrophobicContact CD2-CD2 4.05Å; L363-F449 HydrophobicContact CD2-CE2 3.92Å; L363-F449 HydrophobicContact CG-CD2 4.03Å; L363-F449 HydrophobicContact CG-CE2 3.8Å; A364-F449 HydrophobicContact CB-CD2 3.65Å; A364-F449 HydrophobicContact CB-CE2 4.19Å; A364-F449 HydrophobicContact CB-CG 4.44Å; T446-F449 WeakPolarHBondContact O-CB 3.43Å; T446-F449 PolarHBondContact O-N 3.24Å; T446-F449 VanDerWaalsContact O-N 3.09Å; H447-F449 VanDerWaalsContact C-N 3.34Å; F449-P452 WeakPolarHBondContact O-CD 3.41Å; F449-A453 HydrophobicContact CD1-CB 4.18Å; F449-A453 HydrophobicContact CD2-CB 4.35Å; F449-A453 HydrophobicContact CE1-CB 3.69Å; F449-A453 HydrophobicContact CE2-CB 3.85Å; F449-A453 HydrophobicContact CG-CB 4.49Å; F449-A453 HydrophobicContact CZ-CB 3.5Å; F449-A453 VanDerWaalsContact CZ-CB 3.5Å; F449-A453 VanDerWaalsContact O-CB 3.29Å; F449-A453 WeakPolarHBondContact O-CB 3.43Å; F449-A453 PolarHBondContact O-N 3.18Å | ||
| 450 | G | 96.6 | Very high | 96.5 | Very high | 5 Ų | 5 | 28.9 Ų | 28.9 | 5% | 0.052 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.8 | -59.8 | -161.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | F442 T446 A453 I454 | F442-G450 VanDerWaalsContact CE1-C 3.47Å; T446-G450 PolarHBondContact OG1-N 2.92Å; T446-G450 VanDerWaalsContact OG1-N 3.15Å; G450-A453 PolarHBondContact O-N 3.46Å; G450-I454 WeakPolarHBondContact O-CG1 3.13Å; G450-I454 PolarHBondContact O-N 3.09Å |
| 451 | A | 96.3 | Very high | 96.6 | Very high | 8 Ų | 8 | 29.7 Ų | 29.7 | 7% | 0.066 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.7 | -46.4 | -176 | 0 | 0 | 0 | 0 | 0 | 112.3 | F442 A453 I454 C455 | F442-A451 HydrophobicContact CE1-CB 4.43Å; A451-A453 VanDerWaalsContact C-N 3.32Å; A451-A453 PolarHBondContact O-N 3.17Å; A451-I454 PolarHBondContact O-N 3.15Å; A451-C455 PolarHBondContact O-N 2.83Å; A451-C455 PolarHBondContact O-SG 3.11Å; A451-C455 VanDerWaalsContact O-SG 3.32Å |
| 452 | P | 96.4 | Very high | 96.7 | Very high | 66 Ų | 66 | 26.4 Ų | 26.4 | 43% | 0.429 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -59.9 | -37.5 | 174.7 | -26.2 | 36.1 | 0 | 0 | 0 | 113.9 | A364 G448 F449 C455 A456 | A364-P452 HydrophobicContact CB-CB 3.96Å; G448-P452 WeakPolarHBondContact O-CD 3.39Å; G448-P452 WeakPolarHBondContact O-CG 3.28Å; F449-P452 WeakPolarHBondContact O-CD 3.41Å; P452-C455 PolarHBondContact O-N 3.01Å; P452-A456 WeakPolarHBondContact O-CB 3.47Å; P452-A456 PolarHBondContact O-N 3.49Å |
| 453 | A | 97.4 | Very high | 96.8 | Very high | 10 Ų | 10 | 26.3 Ų | 26.3 | 8% | 0.083 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.2 | -39.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | F367 F449 G450 A451 A456 A457 | F367-A453 HydrophobicContact CD1-CB 4.13Å; F367-A453 HydrophobicContact CE1-CB 4.36Å; F449-A453 HydrophobicContact CD1-CB 4.18Å; F449-A453 HydrophobicContact CD2-CB 4.35Å; F449-A453 HydrophobicContact CE1-CB 3.69Å; F449-A453 HydrophobicContact CE2-CB 3.85Å; F449-A453 HydrophobicContact CG-CB 4.49Å; F449-A453 HydrophobicContact CZ-CB 3.5Å; F449-A453 VanDerWaalsContact CZ-CB 3.5Å; F449-A453 VanDerWaalsContact O-CB 3.29Å; F449-A453 WeakPolarHBondContact O-CB 3.43Å; F449-A453 PolarHBondContact O-N 3.18Å; G450-A453 PolarHBondContact O-N 3.46Å; A451-A453 VanDerWaalsContact C-N 3.32Å; A451-A453 PolarHBondContact O-N 3.17Å; A453-A456 PolarHBondContact O-N 3.2Å; A453-A457 PolarHBondContact O-N 3.38Å |
| 454 | I | 97.8 | Very high | 96.9 | Very high | 29 Ų | 29 | 27.3 Ų | 27.3 | 15% | 0.149 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.8 | -47.2 | 173.5 | -65.3 | 172.1 | 0 | 0 | 0 | 110.1 | L56 F411 L415 F442 G450 A451 A456 A457 L458 | L56-I454 HydrophobicContact CD2-CD1 4.29Å; L56-I454 HydrophobicContact CD2-CG1 3.85Å; L56-I454 HydrophobicContact CD2-CG2 4.42Å; F411-I454 HydrophobicContact CE1-CG2 3.93Å; L415-I454 HydrophobicContact CD1-CB 4.09Å; L415-I454 HydrophobicContact CD1-CG2 3.64Å; F442-I454 HydrophobicContact CE1-CD1 3.84Å; F442-I454 HydrophobicContact CZ-CD1 3.74Å; G450-I454 WeakPolarHBondContact O-CG1 3.13Å; G450-I454 PolarHBondContact O-N 3.09Å; A451-I454 PolarHBondContact O-N 3.15Å; I454-A456 VanDerWaalsContact C-N 3.31Å; I454-A456 PolarHBondContact O-N 3.35Å; I454-A457 PolarHBondContact O-N 3.08Å; I454-L458 HydrophobicContact CG2-CD1 3.79Å; I454-L458 HydrophobicContact CG2-CG 4.35Å; I454-L458 WeakPolarHBondContact O-CG 3.35Å; I454-L458 PolarHBondContact O-N 3.25Å |
| 455 | C | 97.4 | Very high | 97 | Very high | 26 Ų | 26 | 26.2 Ų | 26.2 | 18% | 0.176 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.5 | -40.9 | 177.2 | -66.6 | 0 | 0 | 0 | 0 | 112.2 | T412 A451 P452 L458 T459 | T412-C455 HydrophobicContact CG2-CB 4.22Å; A451-C455 PolarHBondContact O-N 2.83Å; A451-C455 PolarHBondContact O-SG 3.11Å; A451-C455 VanDerWaalsContact O-SG 3.32Å; P452-C455 PolarHBondContact O-N 3.01Å; C455-L458 PolarHBondContact O-N 3.19Å; C455-T459 WeakPolarHBondContact O-CB 3.22Å; C455-T459 PolarHBondContact O-N 2.92Å; C455-T459 PolarHBondContact O-OG1 2.98Å |
| 456 | A | 97.4 | Very high | 97.1 | Very high | 11 Ų | 11 | 25.5 Ų | 25.5 | 9% | 0.091 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.2 | -49 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | F367 C371 P452 A453 I454 L458 T459 A460 | F367-A456 HydrophobicContact CD1-CB 3.92Å; F367-A456 HydrophobicContact CE1-CB 4.06Å; C371-A456 HydrophobicContact CB-CB 4.46Å; P452-A456 WeakPolarHBondContact O-CB 3.47Å; P452-A456 PolarHBondContact O-N 3.49Å; A453-A456 PolarHBondContact O-N 3.2Å; I454-A456 VanDerWaalsContact C-N 3.31Å; I454-A456 PolarHBondContact O-N 3.35Å; A456-L458 VanDerWaalsContact C-N 3.35Å; A456-L458 PolarHBondContact O-N 2.93Å; A456-T459 WeakPolarHBondContact O-CB 3.35Å; A456-T459 PolarHBondContact O-N 3.25Å; A456-T459 VanDerWaalsContact O-N 3.17Å; A456-A460 PolarHBondContact O-N 3.31Å |
| 457 | A | 97.4 | Very high | 97.1 | Very high | 32 Ų | 32 | 27.4 Ų | 27.4 | 26% | 0.264 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -62.5 | -41.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A453 I454 T459 A460 L461 | A453-A457 PolarHBondContact O-N 3.38Å; I454-A457 PolarHBondContact O-N 3.08Å; A457-T459 VanDerWaalsContact C-N 3.31Å; A457-T459 PolarHBondContact O-N 2.83Å; A457-A460 PolarHBondContact O-N 3.03Å; A457-L461 PolarHBondContact O-N 3.18Å |
| 458 | L | 97.5 | Very high | 97.2 | Very high | 15 Ų | 15 | 27.3 Ų | 27.3 | 8% | 0.079 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -67.7 | -31.4 | 175.7 | -70.1 | 171.8 | 0 | 0 | 0 | 112.4 | C408 F411 I454 C455 A456 L461 Q462 | C408-L458 HydrophobicContact CB-CD2 4.45Å; F411-L458 HydrophobicContact CD1-CD1 3.54Å; F411-L458 HydrophobicContact CE1-CD1 4.04Å; I454-L458 HydrophobicContact CG2-CD1 3.79Å; I454-L458 HydrophobicContact CG2-CG 4.35Å; I454-L458 WeakPolarHBondContact O-CG 3.35Å; I454-L458 PolarHBondContact O-N 3.25Å; C455-L458 PolarHBondContact O-N 3.19Å; A456-L458 VanDerWaalsContact C-N 3.35Å; A456-L458 PolarHBondContact O-N 2.93Å; L458-L461 HydrophobicContact CD2-CD2 4.4Å; L458-L461 PolarHBondContact O-N 2.98Å; L458-Q462 WeakPolarHBondContact O-CB 3.2Å; L458-Q462 VanDerWaalsContact O-CG 3.25Å; L458-Q462 WeakPolarHBondContact O-CG 3.34Å; L458-Q462 PolarHBondContact O-N 3.42Å; L458-Q462 PolarHBondContact O-NE2 3.46Å |
| 459 | T | 96 | Very high | 97.2 | Very high | 56 Ų | 56 | 27.5 Ų | 27.5 | 34% | 0.344 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -66.9 | -45 | 174.1 | -59.1 | 0 | 0 | 0 | 0 | 110.6 | C455 A456 A457 L461 Q462 N463 | C455-T459 WeakPolarHBondContact O-CB 3.22Å; C455-T459 PolarHBondContact O-N 2.92Å; C455-T459 PolarHBondContact O-OG1 2.98Å; A456-T459 WeakPolarHBondContact O-CB 3.35Å; A456-T459 PolarHBondContact O-N 3.25Å; A456-T459 VanDerWaalsContact O-N 3.17Å; A457-T459 VanDerWaalsContact C-N 3.31Å; A457-T459 PolarHBondContact O-N 2.83Å; T459-L461 VanDerWaalsContact C-N 3.3Å; T459-L461 PolarHBondContact O-N 2.65Å; T459-Q462 PolarHBondContact O-N 2.88Å; T459-Q462 VanDerWaalsContact O-N 3.16Å; T459-N463 VanDerWaalsContact O-CG 3.32Å; T459-N463 PolarHBondContact O-N 3.19Å |
| 460 | A | 97.6 | Very high | 97.1 | Very high | 7 Ų | 7 | 30.8 Ų | 30.8 | 6% | 0.058 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.6 | -41.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | C371 F375 A456 A457 N463 Y464 | C371-A460 HydrophobicContact CB-CB 4.2Å; F375-A460 HydrophobicContact CB-CB 4.38Å; F375-A460 HydrophobicContact CD1-CB 3.85Å; F375-A460 HydrophobicContact CE1-CB 4.32Å; F375-A460 HydrophobicContact CG-CB 4.07Å; A456-A460 PolarHBondContact O-N 3.31Å; A457-A460 PolarHBondContact O-N 3.03Å; A460-N463 PolarHBondContact O-N 3.29Å; A460-Y464 PolarHBondContact O-N 3.14Å |
| 461 | L | 97.9 | Very high | 96.9 | Very high | 52 Ų | 52 | 31.4 Ų | 31.4 | 27% | 0.272 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -63.2 | -44.5 | 173.8 | 179 | 62.5 | 0 | 0 | 0 | 112.1 | A457 L458 T459 N463 Y464 L465 | A457-L461 PolarHBondContact O-N 3.18Å; L458-L461 HydrophobicContact CD2-CD2 4.4Å; L458-L461 PolarHBondContact O-N 2.98Å; T459-L461 VanDerWaalsContact C-N 3.3Å; T459-L461 PolarHBondContact O-N 2.65Å; L461-N463 VanDerWaalsContact C-N 3.29Å; L461-N463 PolarHBondContact O-N 2.93Å; L461-Y464 HydrophobicContact CD1-CD1 3.93Å; L461-Y464 WeakPolarHBondContact O-CB 3.43Å; L461-Y464 PolarHBondContact O-N 3.14Å; L461-L465 HydrophobicContact CD1-CG 4.46Å; L461-L465 HydrophobicContact CG-CD1 4.2Å; L461-L465 HydrophobicContact CG-CG 4.5Å; L461-L465 WeakPolarHBondContact O-CG 3.45Å; L461-L465 PolarHBondContact O-N 2.87Å |
| 462 | Q | 97.1 | Very high | 96.6 | Very high | 29 Ų | 29 | 31 Ų | 31 | 14% | 0.136 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63 | -35.5 | 177 | -77.2 | 178.4 | 87.6 | 0 | 0 | 112.4 | C408 L458 T459 L465 T466 | C408-Q462 HydrophobicContact CB-CG 3.77Å; L458-Q462 WeakPolarHBondContact O-CB 3.2Å; L458-Q462 VanDerWaalsContact O-CG 3.25Å; L458-Q462 WeakPolarHBondContact O-CG 3.34Å; L458-Q462 PolarHBondContact O-N 3.42Å; L458-Q462 PolarHBondContact O-NE2 3.46Å; T459-Q462 PolarHBondContact O-N 2.88Å; T459-Q462 VanDerWaalsContact O-N 3.16Å; Q462-L465 PolarHBondContact O-N 3.43Å; Q462-T466 WeakPolarHBondContact O-CB 3.37Å; Q462-T466 PolarHBondContact O-N 3.3Å; Q462-T466 PolarHBondContact O-OG1 2.87Å |
| 463 | N | 97.8 | Very high | 96.3 | Very high | 63 Ų | 63 | 31 Ų | 31 | 34% | 0.337 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -64.4 | -46.2 | 173.3 | -71.2 | -12.5 | 0 | 0 | 0 | 110.7 | A377 T459 A460 L461 L465 T466 E467 | A377-N463 HydrophobicContact CB-CB 4.15Å; T459-N463 VanDerWaalsContact O-CG 3.32Å; T459-N463 PolarHBondContact O-N 3.19Å; A460-N463 PolarHBondContact O-N 3.29Å; L461-N463 VanDerWaalsContact C-N 3.29Å; L461-N463 PolarHBondContact O-N 2.93Å; N463-L465 PolarHBondContact O-N 2.95Å; N463-T466 WeakPolarHBondContact O-CB 3.45Å; N463-T466 PolarHBondContact O-N 3.12Å; N463-E467 PolarHBondContact O-N 3Å |
| 464 | Y | 98.1 | Very high | 95.8 | Very high | 26 Ų | 26 | 37.4 Ų | 37.4 | 10% | 0.102 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -56.5 | -48.8 | 171.6 | 156.1 | -95.3 | 0 | 0 | 0 | 112.2 | V380 L384 A460 L461 T466 E467 A468 | V380-Y464 HydrophobicContact CB-CD2 4.27Å; V380-Y464 HydrophobicContact CG1-CD2 3.88Å; V380-Y464 HydrophobicContact CG1-CE2 3.9Å; L384-Y464 HydrophobicContact CD1-CE2 3.84Å; L384-Y464 VanDerWaalsContact CD1-OH 3.27Å; L384-Y464 WeakPolarHBondContact CD1-OH 3.47Å; A460-Y464 PolarHBondContact O-N 3.14Å; L461-Y464 HydrophobicContact CD1-CD1 3.93Å; L461-Y464 WeakPolarHBondContact O-CB 3.43Å; L461-Y464 PolarHBondContact O-N 3.14Å; Y464-T466 PolarHBondContact O-N 3.1Å; Y464-E467 PolarHBondContact O-N 3.48Å; Y464-A468 WeakPolarHBondContact O-CB 3.36Å; Y464-A468 PolarHBondContact O-N 3.23Å |
| 465 | L | 97.8 | Very high | 95.2 | Very high | 6 Ų | 6 | 38.4 Ų | 38.4 | 3% | 0.031 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.1 | -35.9 | 179.8 | -68.8 | 170.3 | 0 | 0 | 0 | 111.4 | L401 T404 K405 L461 Q462 N463 A468 L469 | L401-L465 HydrophobicContact CD2-CD2 3.62Å; T404-L465 HydrophobicContact CG2-CD1 3.93Å; T404-L465 HydrophobicContact CG2-CD2 4.38Å; K405-L465 HydrophobicContact CB-CB 4.31Å; K405-L465 HydrophobicContact CB-CD1 3.92Å; L461-L465 HydrophobicContact CD1-CG 4.46Å; L461-L465 HydrophobicContact CG-CD1 4.2Å; L461-L465 HydrophobicContact CG-CG 4.5Å; L461-L465 WeakPolarHBondContact O-CG 3.45Å; L461-L465 PolarHBondContact O-N 2.87Å; Q462-L465 PolarHBondContact O-N 3.43Å; N463-L465 PolarHBondContact O-N 2.95Å; L465-A468 PolarHBondContact O-N 3.25Å; L465-L469 WeakPolarHBondContact O-CB 3.37Å; L465-L469 VanDerWaalsContact O-CG 3.25Å; L465-L469 WeakPolarHBondContact O-CG 3.37Å; L465-L469 PolarHBondContact O-N 3.44Å |
| 466 | T | 97.8 | Very high | 94.5 | Very high | 37 Ų | 37 | 40.2 Ų | 40.2 | 23% | 0.227 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.9 | -45.2 | 176.2 | -59.2 | 0 | 0 | 0 | 0 | 111.6 | K405 Q462 N463 Y464 A468 L469 K470 | K405-T466 PolarHBondContact NZ-OG1 3.38Å; Q462-T466 WeakPolarHBondContact O-CB 3.37Å; Q462-T466 PolarHBondContact O-N 3.3Å; Q462-T466 PolarHBondContact O-OG1 2.87Å; N463-T466 WeakPolarHBondContact O-CB 3.45Å; N463-T466 PolarHBondContact O-N 3.12Å; Y464-T466 PolarHBondContact O-N 3.1Å; T466-A468 VanDerWaalsContact C-N 3.35Å; T466-L469 PolarHBondContact O-N 3.43Å; T466-K470 WeakPolarHBondContact O-CG 3.39Å; T466-K470 PolarHBondContact O-N 3.14Å; T466-K470 VanDerWaalsContact O-N 3.09Å |
| 467 | E | 97.6 | Very high | 93.6 | Very high | 48 Ų | 48 | 45.5 Ų | 45.5 | 22% | 0.224 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.5 | -38 | 174.4 | -66.9 | -57.4 | 131.6 | 0 | 0 | 112.1 | K378 S381 N463 Y464 L469 K470 G471 | K378-E467 HydrophobicContact CB-CG 4.19Å; S381-E467 VanDerWaalsContact OG-CB 3.25Å; S381-E467 WeakPolarHBondContact OG-CB 3.43Å; N463-E467 PolarHBondContact O-N 3Å; Y464-E467 PolarHBondContact O-N 3.48Å; E467-L469 PolarHBondContact O-N 3.17Å; E467-K470 WeakPolarHBondContact O-CB 3.18Å; E467-K470 PolarHBondContact O-N 3.46Å; E467-K470 IonicContact OE1-NZ 2.66Å; E467-K470 PolarHBondContact OE1-NZ 3.43Å; E467-G471 PolarHBondContact O-N 3.09Å |
| 468 | A | 96.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.7 | -44.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | N385 L401 Y464 L465 T466 G471 M472 | N385-A468 PolarHBondContact ND2-O 3.24Å; L401-A468 HydrophobicContact CD1-CB 4.05Å; L401-A468 HydrophobicContact CD2-CB 4.25Å; Y464-A468 WeakPolarHBondContact O-CB 3.36Å; Y464-A468 PolarHBondContact O-N 3.23Å; L465-A468 PolarHBondContact O-N 3.25Å; T466-A468 VanDerWaalsContact C-N 3.35Å; A468-G471 PolarHBondContact O-N 3.38Å; A468-G471 VanDerWaalsContact O-N 3.16Å; A468-M472 WeakPolarHBondContact O-CG 3.5Å; A468-M472 PolarHBondContact O-N 3.29Å |
| 469 | L | 96.2 | Very high | 91.1 | Very high | 15 Ų | 15 | 52 Ų | 52 | 8% | 0.079 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.9 | -43 | 175.7 | -73.7 | 166 | 0 | 0 | 0 | 112.3 | K398 L401 L402 K405 L465 T466 E467 G471 M472 D473 | K398-L469 HydrophobicContact CG-CD2 3.95Å; L401-L469 HydrophobicContact CB-CD2 3.74Å; L401-L469 HydrophobicContact CB-CG 4.09Å; L401-L469 HydrophobicContact CD1-CD2 4.19Å; L401-L469 HydrophobicContact CD1-CG 4.46Å; L402-L469 HydrophobicContact CD2-CD1 3.72Å; L402-L469 HydrophobicContact CD2-CD2 4.08Å; L402-L469 HydrophobicContact CG-CD1 4.36Å; L402-L469 HydrophobicContact CG-CD2 3.93Å; K405-L469 HydrophobicContact CD-CD1 4.26Å; L465-L469 WeakPolarHBondContact O-CB 3.37Å; L465-L469 VanDerWaalsContact O-CG 3.25Å; L465-L469 WeakPolarHBondContact O-CG 3.37Å; L465-L469 PolarHBondContact O-N 3.44Å; T466-L469 PolarHBondContact O-N 3.43Å; E467-L469 PolarHBondContact O-N 3.17Å; L469-G471 PolarHBondContact O-N 3.32Å; L469-M472 WeakPolarHBondContact O-CB 3.39Å; L469-M472 PolarHBondContact O-N 3.5Å; L469-M472 VanDerWaalsContact O-N 3.13Å; L469-D473 PolarHBondContact O-N 3.44Å |
| 470 | K | 95.4 | Very high | 89.5 | Confident | 105 Ų | 105 | 53.9 Ų | 53.9 | 46% | 0.457 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -58.1 | -39.3 | 173.5 | -69.2 | 172.7 | -175 | 172.1 | 0 | 111.7 | T466 E467 K474 | T466-K470 WeakPolarHBondContact O-CG 3.39Å; T466-K470 PolarHBondContact O-N 3.14Å; T466-K470 VanDerWaalsContact O-N 3.09Å; E467-K470 WeakPolarHBondContact O-CB 3.18Å; E467-K470 PolarHBondContact O-N 3.46Å; E467-K470 IonicContact OE1-NZ 2.66Å; E467-K470 PolarHBondContact OE1-NZ 3.43Å; K470-K474 WeakPolarHBondContact O-CG 3.32Å; K470-K474 PolarHBondContact O-N 3.2Å |
| 471 | G | 92.3 | Very high | 87.7 | Confident | 19 Ų | 19 | 57.5 Ų | 57.5 | 20% | 0.196 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.4 | -42.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | E467 A468 L469 D473 K474 M475 | E467-G471 PolarHBondContact O-N 3.09Å; A468-G471 PolarHBondContact O-N 3.38Å; A468-G471 VanDerWaalsContact O-N 3.16Å; L469-G471 PolarHBondContact O-N 3.32Å; G471-D473 PolarHBondContact O-N 3.32Å; G471-K474 PolarHBondContact O-N 2.95Å; G471-M475 WeakPolarHBondContact O-CG 3.48Å; G471-M475 PolarHBondContact O-N 3.2Å |
| 472 | M | 89.9 | Confident | 85.7 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.7 | -44.4 | 176.2 | -67.2 | -61.8 | -61.2 | 0 | 0 | 111.7 | L394 R397 L401 A468 L469 K474 M475 F476 | L394-M472 HydrophobicContact CB-CE 3.84Å; L394-M472 HydrophobicContact CD2-CE 3.6Å; L394-M472 HydrophobicContact CD2-SD 4.49Å; L394-M472 HydrophobicContact CG-CE 4.28Å; L394-M472 VanDerWaalsContact O-CE 3.22Å; L394-M472 WeakPolarHBondContact O-CE 3.36Å; R397-M472 HydrophobicContact CB-CE 4.02Å; R397-M472 HydrophobicContact CG-CE 4.05Å; R397-M472 HydrophobicContact CG-SD 4.17Å; L401-M472 HydrophobicContact CD1-CG 3.88Å; A468-M472 WeakPolarHBondContact O-CG 3.5Å; A468-M472 PolarHBondContact O-N 3.29Å; L469-M472 WeakPolarHBondContact O-CB 3.39Å; L469-M472 PolarHBondContact O-N 3.5Å; L469-M472 VanDerWaalsContact O-N 3.13Å; M472-K474 VanDerWaalsContact C-N 3.3Å; M472-K474 PolarHBondContact O-N 2.95Å; M472-M475 WeakPolarHBondContact O-CB 3.48Å; M472-M475 PolarHBondContact O-N 2.91Å; M472-F476 HydrophobicContact CE-CE2 4.29Å; M472-F476 WeakPolarHBondContact O-CD2 3.38Å; M472-F476 PolarHBondContact O-N 3.24Å |
| 473 | D | 89.3 | Confident | 83.5 | Confident | 65 Ų | 65 | 62.9 Ų | 62.9 | 35% | 0.348 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -58.9 | -42 | 179.2 | -69.9 | -29.1 | 0 | 0 | 0 | 111.6 | K398 L469 G471 M475 F476 L477 | K398-D473 IonicContact NZ-OD1 2.58Å; K398-D473 PolarHBondContact NZ-OD1 3.28Å; L469-D473 PolarHBondContact O-N 3.44Å; G471-D473 PolarHBondContact O-N 3.32Å; D473-M475 VanDerWaalsContact C-N 3.3Å; D473-M475 PolarHBondContact O-N 3.25Å; D473-F476 PolarHBondContact O-N 3.05Å; D473-L477 WeakPolarHBondContact O-CD1 3.15Å; D473-L477 PolarHBondContact O-N 3.21Å |
| 474 | K | 87.8 | Confident | 81.3 | Confident | 145 Ų | 145 | 70.2 Ų | 70.2 | 63% | 0.63 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -59.9 | -38.9 | 174.2 | -68 | 174.9 | -177.5 | 179.3 | 0 | 112.5 | K470 G471 M472 L477 N478 | K470-K474 WeakPolarHBondContact O-CG 3.32Å; K470-K474 PolarHBondContact O-N 3.2Å; G471-K474 PolarHBondContact O-N 2.95Å; M472-K474 VanDerWaalsContact C-N 3.3Å; M472-K474 PolarHBondContact O-N 2.95Å; K474-L477 PolarHBondContact O-N 3.05Å; K474-N478 WeakPolarHBondContact O-CB 3.48Å; K474-N478 PolarHBondContact O-N 3.06Å |
| 475 | M | 84.9 | Confident | 78.9 | Confident | 49 Ų | 49 | 77.5 Ų | 77.5 | 24% | 0.241 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -68 | -38.2 | 178.4 | -64 | 176.4 | 70.7 | 0 | 0 | 112 | H388 T389 L394 G471 M472 D473 N478 N479 | H388-M475 WeakPolarHBondContact O-CE 3.46Å; T389-M475 HydrophobicContact CG2-CE 4.21Å; L394-M475 HydrophobicContact CD1-CB 4.34Å; L394-M475 HydrophobicContact CD2-CE 4.01Å; G471-M475 WeakPolarHBondContact O-CG 3.48Å; G471-M475 PolarHBondContact O-N 3.2Å; M472-M475 WeakPolarHBondContact O-CB 3.48Å; M472-M475 PolarHBondContact O-N 2.91Å; D473-M475 VanDerWaalsContact C-N 3.3Å; D473-M475 PolarHBondContact O-N 3.25Å; M475-N478 PolarHBondContact O-N 3.11Å; M475-N479 WeakPolarHBondContact O-CB 2.63Å; M475-N479 PolarHBondContact O-N 2.94Å |
| 476 | F | 81.3 | Confident | 76.4 | Confident | 65 Ų | 65 | 82.2 Ų | 82.2 | 29% | 0.285 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.7 | -46.1 | 173.8 | -81.7 | -73.5 | 0 | 0 | 0 | 112.5 | L394 H395 K398 M472 D473 N479 T480 | L394-F476 HydrophobicContact CB-CE1 3.96Å; L394-F476 HydrophobicContact CB-CE2 4.01Å; L394-F476 HydrophobicContact CB-CZ 3.5Å; H395-F476 HydrophobicContact CB-CZ 4.36Å; K398-F476 HydrophobicContact CB-CE2 4.37Å; K398-F476 HydrophobicContact CD-CE2 3.94Å; M472-F476 HydrophobicContact CE-CE2 4.29Å; M472-F476 WeakPolarHBondContact O-CD2 3.38Å; M472-F476 PolarHBondContact O-N 3.24Å; D473-F476 PolarHBondContact O-N 3.05Å; F476-N479 PolarHBondContact O-N 3.31Å; F476-T480 PolarHBondContact O-N 2.85Å; F476-T480 PolarHBondContact O-OG1 3.12Å |
| 477 | L | 79.9 | Confident | 73.8 | Confident | 121 Ų | 121 | 85.9 Ų | 85.9 | 63% | 0.634 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -59.9 | -45.6 | 175.7 | -85.1 | 139.9 | 0 | 0 | 0 | 111.2 | D473 K474 N479 T480 T481 | D473-L477 WeakPolarHBondContact O-CD1 3.15Å; D473-L477 PolarHBondContact O-N 3.21Å; K474-L477 PolarHBondContact O-N 3.05Å; L477-N479 VanDerWaalsContact C-N 3.35Å; L477-N479 PolarHBondContact O-N 2.62Å; L477-T480 PolarHBondContact O-N 3.42Å; L477-T480 PolarHBondContact O-OG1 2.96Å; L477-T480 VanDerWaalsContact O-OG1 3.08Å; L477-T481 PolarHBondContact O-N 3.42Å; L477-T481 PolarHBondContact O-OG1 3.37Å |
| 478 | N | 76.1 | Confident | 71.4 | Confident | 112 Ų | 112 | 86.7 Ų | 86.7 | 60% | 0.599 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -66 | -37.7 | -177.9 | -147.5 | 50.9 | 0 | 0 | 0 | 112.3 | K474 M475 T481 S482 | K474-N478 WeakPolarHBondContact O-CB 3.48Å; K474-N478 PolarHBondContact O-N 3.06Å; M475-N478 PolarHBondContact O-N 3.11Å; N478-T481 PolarHBondContact O-N 3.06Å; N478-T481 PolarHBondContact O-OG1 3.32Å; N478-S482 PolarHBondContact O-N 3.14Å; N478-S482 PolarHBondContact O-OG 3.17Å |
| 479 | N | 66.1 | Low | 68.6 | Low | 72 Ų | 72 | 96.3 Ų | 96.3 | 39% | 0.385 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -71.6 | -30.7 | -179.9 | -153.5 | 17.5 | 0 | 0 | 0 | 112.9 | P391 M475 F476 L477 N483 | P391-N479 WeakPolarHBondContact CB-ND2 3.43Å; P391-N479 WeakPolarHBondContact CG-ND2 3.02Å; M475-N479 WeakPolarHBondContact O-CB 2.63Å; M475-N479 PolarHBondContact O-N 2.94Å; F476-N479 PolarHBondContact O-N 3.31Å; L477-N479 VanDerWaalsContact C-N 3.35Å; L477-N479 PolarHBondContact O-N 2.62Å; N479-N483 PolarHBondContact O-N 3.41Å |
| 480 | T | 61.5 | Low | 65.6 | Low | 95 Ų | 95 | 98.8 Ų | 98.8 | 58% | 0.583 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -72.5 | -31.7 | 175.4 | 18 | 0 | 0 | 0 | 0 | 112.8 | F476 L477 | F476-T480 PolarHBondContact O-N 2.85Å; F476-T480 PolarHBondContact O-OG1 3.12Å; L477-T480 PolarHBondContact O-N 3.42Å; L477-T480 PolarHBondContact O-OG1 2.96Å; L477-T480 VanDerWaalsContact O-OG1 3.08Å |
| 481 | T | 60 | Low | 63.1 | Low | 83 Ų | 83 | 100.4 Ų | 100.4 | 51% | 0.509 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -72.6 | -40 | 173.1 | 20.3 | 0 | 0 | 0 | 0 | 113.3 | L477 N478 N483 R484 | L477-T481 PolarHBondContact O-N 3.42Å; L477-T481 PolarHBondContact O-OG1 3.37Å; N478-T481 PolarHBondContact O-N 3.06Å; N478-T481 PolarHBondContact O-OG1 3.32Å; T481-N483 VanDerWaalsContact C-N 3.25Å; T481-N483 PolarHBondContact O-N 3.42Å; T481-R484 PolarHBondContact O-N 2.92Å |
| 482 | S | 56.7 | Low | 60.4 | Low | 73 Ų | 73 | 103.1 Ų | 103.1 | 51% | 0.51 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -63.5 | -31.9 | 176.9 | -65.5 | 0 | 0 | 0 | 0 | 112.6 | N478 R484 | N478-S482 PolarHBondContact O-N 3.14Å; N478-S482 PolarHBondContact O-OG 3.17Å; S482-R484 VanDerWaalsContact C-N 3.27Å; S482-R484 PolarHBondContact O-N 3.33Å |
| 483 | N | 51.4 | Low | 58 | Low | 122 Ų | 122 | 108.6 Ų | 108.6 | 65% | 0.652 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -5.1 | 179.2 | -140.8 | 30.8 | 0 | 0 | 0 | 114 | N479 T481 | N479-N483 PolarHBondContact O-N 3.41Å; T481-N483 VanDerWaalsContact C-N 3.25Å; T481-N483 PolarHBondContact O-N 3.42Å |
| 484 | R | 50.4 | Low | 55.4 | Low | 217 Ų | 217 | 115.2 Ų | 115.2 | 82% | 0.819 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | -12.7 | 175.3 | -86 | -174.3 | 162.5 | -171.2 | -4.2 | 114.1 | T481 S482 | T481-R484 PolarHBondContact O-N 2.92Å; S482-R484 VanDerWaalsContact C-N 3.27Å; S482-R484 PolarHBondContact O-N 3.33Å |
| 485 | H | 47.4 | Very low | 52.8 | Low | 178 Ų | 178 | 115.3 Ų | 115.3 | 82% | 0.824 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -94.8 | 5 | 179.9 | -92.6 | -74.2 | 0 | 0 | 0 | 114.9 | ||
| 486 | T | 46.2 | Very low | 50.3 | Low | 106 Ų | 106 | 116.7 Ų | 116.7 | 65% | 0.65 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -113.1 | 7.9 | -178.4 | 62.4 | 0 | 0 | 0 | 0 | 114.8 | ||
| 487 | S | 43.6 | Very low | 48.4 | Very low | 114 Ų | 114 | 121.3 Ų | 121.3 | 80% | 0.797 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -109.9 | 79.9 | 174.4 | -61.3 | 0 | 0 | 0 | 0 | 110.7 | ||
| 488 | G | 47 | Very low | 46.5 | Very low | 65 Ų | 65 | 125.4 Ų | 125.4 | 67% | 0.67 | 74% | 0.737 | S | S | * | * | S | Bend | trans | 145.2 | 83.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 489 | E | 37.1 | Very low | 44.8 | Very low | 201 Ų | 201 | 129.1 Ų | 129.1 | 94% | 0.939 | 75% | 0.75 | S | S | * | * | trans | 166 | 100.9 | 131.9 | -90.7 | 177.7 | 154.2 | 0 | 0 | 109.6 | ||||
| 490 | G | 32.4 | Very low | 43.4 | Very low | 67 Ų | 67 | 132.9 Ų | 132.9 | 69% | 0.691 | 77% | 0.766 | S | S | * | * | trans | -84 | 155.2 | 159.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | G492 | G490-G492 PolarHBondContact O-N 3.45Š| ||
| 491 | P | 44.7 | Very low | 42.4 | Very low | 140 Ų | 140 | 136.1 Ų | 136.1 | 91% | 0.909 | 77% | 0.772 | S | S | * | * | trans | -83.1 | 121.6 | -160.6 | 32.7 | -32.4 | 0 | 0 | 0 | 111.8 | ||||
| 492 | G | 35 | Very low | 41.6 | Very low | 75 Ų | 75 | 140.2 Ų | 140.2 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | trans | -118.6 | 98.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | G490 K494 | G490-G492 PolarHBondContact O-N 3.45Å; G492-K494 PolarHBondContact O-N 2.89Å | ||
| 493 | S | 38.5 | Very low | 41 | Very low | 115 Ų | 115 | 147.6 Ų | 147.6 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | -59 | 129.3 | 167.6 | 62.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 494 | K | 34.8 | Very low | 40.6 | Very low | 205 Ų | 205 | 153.5 Ų | 153.5 | 89% | 0.891 | 82% | 0.821 | S | S | * | * | trans | -164.8 | 108.5 | 144.7 | -108.6 | 166.9 | -173.3 | -178.5 | 0 | 111.2 | G492 | G492-K494 PolarHBondContact O-N 2.89Š| ||
| 495 | T | 33.5 | Very low | 40.1 | Very low | 147 Ų | 147 | 150.3 Ų | 150.3 | 90% | 0.902 | 82% | 0.821 | S | S | * | * | trans | -49.4 | 148.6 | 151 | 24.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 496 | G | 32.8 | Very low | 39.7 | Very low | 77 Ų | 77 | 148.8 Ų | 148.8 | 79% | 0.794 | 82% | 0.821 | S | S | * | * | trans | 153.9 | 107.7 | 161.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 497 | D | 40.3 | Very low | 39.3 | Very low | 162 Ų | 162 | 151.2 Ų | 151.2 | 87% | 0.866 | 83% | 0.831 | S | S | * | * | trans | -42.1 | 148.8 | 173 | -68.4 | -58.7 | 0 | 0 | 0 | 116.6 | ||||
| 498 | K | 40.1 | Very low | 39.1 | Very low | 207 Ų | 207 | 153.4 Ų | 153.4 | 90% | 0.9 | 83% | 0.833 | S | S | * | * | trans | -167.9 | 108.1 | 133 | -106.4 | 168.7 | -174.9 | -179.1 | 0 | 111.8 | ||||
| 499 | E | 40.5 | Very low | 38.6 | Very low | 190 Ų | 190 | 158.9 Ų | 158.9 | 89% | 0.888 | 84% | 0.843 | S | S | * | * | trans | -53.9 | 139.1 | 144 | -81.6 | 179.1 | 110 | 0 | 0 | 109.5 | ||||
| 500 | E | 37.6 | Very low | 38.7 | Very low | 152 Ų | 152 | 156.1 Ų | 156.1 | 71% | 0.71 | 84% | 0.836 | S | S | * | * | 176.9 | 139.3 | 104.5 | -145.7 | -171.9 | 137.5 | 0 | 0 | 112.2 | |||||
| 501 | K | 40.3 | Very low | 39.1 | Very low | 162 Ų | 162 | 162.5 Ų | 162.5 | 70% | 0.704 | 85% | 0.847 | S | S | * | * | trans | 84.3 | 104.5 | 142.8 | -103.2 | -164.6 | -177.7 | 94.6 | 0 | 122.2 | ||||
| 502 | H | 42.6 | Very low | 38.7 | Very low | 170 Ų | 170 | 164.2 Ų | 164.2 | 79% | 0.787 | 84% | 0.842 | S | S | * | * | 66.8 | 117.9 | 114.8 | -105.4 | -116.6 | 0 | 0 | 0 | 121.3 | |||||
| 503 | R | 43.8 | Very low | 39 | Very low | 227 Ų | 227 | 171.7 Ų | 171.7 | 86% | 0.857 | 85% | 0.848 | S | S | * | * | 177.1 | 146 | 120.2 | -105.1 | 176.6 | 134.1 | 137.3 | -7.2 | 106.8 | |||||
| 504 | K | 43 | Very low | 39 | Very low | 246 Ų | 246 | 176.8 Ų | 176.8 | 100% | 1.07 | 85% | 0.852 | S | S | * | * | cis | -167.7 | 0 | -9 | -157.8 | 179 | 179.9 | -173.7 | 0 | 104.9 |
Retrieved 504 of 504 residues in 127 ms
(Link to these results)