| 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 | 39.3 | Very low | 43.9 | Very low | 229 Ų | 229 | 142.2 Ų | 142.2 | 100% | 1.128 | 81% | 0.813 | S | S | * | * | 0 | 88.3 | 0 | -73 | -174.4 | -167.1 | 0 | 0 | 105.1 | |||||
| 2 | E | 35.7 | Very low | 44.7 | Very low | 168 Ų | 168 | 144 Ų | 144 | 79% | 0.785 | 82% | 0.816 | S | S | * | * | 59 | 117.8 | 74.2 | -52.6 | -69.1 | 131.6 | 0 | 0 | 108.1 | |||||
| 3 | E | 50.8 | Low | 44 | Very low | 149 Ų | 149 | 142.9 Ų | 142.9 | 70% | 0.696 | 82% | 0.821 | S | S | * | * | cis | -162.8 | 172.1 | 20.1 | -100.5 | -77.4 | 103.2 | 0 | 0 | 109.7 | ||||
| 4 | P | 52.4 | Low | 44.4 | Very low | 86 Ų | 86 | 140.8 Ų | 140.8 | 56% | 0.558 | 82% | 0.819 | S | S | * | * | trans | -107.4 | 171.6 | -160.1 | 41.5 | -34 | 0 | 0 | 0 | 115.1 | ||||
| 5 | G | 36.1 | Very low | 44.5 | Very low | 81 Ų | 81 | 140.5 Ų | 140.5 | 84% | 0.835 | 82% | 0.82 | S | S | * | * | trans | -81.2 | 122 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 6 | F | 39.5 | Very low | 44.8 | Very low | 201 Ų | 201 | 139.6 Ų | 139.6 | 88% | 0.882 | 82% | 0.82 | S | S | * | * | trans | -68.5 | 133.9 | 176.4 | -80 | -95.4 | 0 | 0 | 0 | 112.7 | ||||
| 7 | A | 42.3 | Very low | 45.1 | Very low | 99 Ų | 99 | 143.3 Ų | 143.3 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | trans | -138.2 | 147 | 159.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 8 | K | 46.6 | Very low | 44.6 | Very low | 193 Ų | 193 | 144.1 Ų | 144.1 | 84% | 0.839 | 82% | 0.824 | S | S | * | * | trans | 103.7 | 92.7 | 160.3 | -145.6 | 168.5 | -170.4 | 176.1 | 0 | 116.5 | ||||
| 9 | S | 44.4 | Very low | 44.9 | Very low | 123 Ų | 123 | 141.6 Ų | 141.6 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | trans | -87.6 | 124.1 | 156.6 | 39.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 10 | T | 46.6 | Very low | 44.6 | Very low | 124 Ų | 124 | 138.1 Ų | 138.1 | 76% | 0.761 | 81% | 0.813 | S | S | * | * | trans | -122.6 | 107 | 166.6 | -26.1 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 11 | S | 49 | Very low | 44.5 | Very low | 111 Ų | 111 | 138.3 Ų | 138.3 | 78% | 0.776 | 82% | 0.816 | S | S | * | * | trans | -97.4 | 116.7 | 179.7 | 163.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 12 | L | 54.2 | Low | 44.4 | Very low | 164 Ų | 164 | 132 Ų | 132 | 86% | 0.859 | 80% | 0.8 | S | S | * | * | trans | -72.7 | 139.5 | 167.8 | -68.5 | 160.5 | 0 | 0 | 0 | 109.1 | ||||
| 13 | C | 34.7 | Very low | 44.8 | Very low | 130 Ų | 130 | 128.4 Ų | 128.4 | 88% | 0.878 | 80% | 0.799 | S | S | * | * | trans | -122.8 | 115.7 | 168.7 | -116.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 14 | S | 49.7 | Very low | 44.8 | Very low | 113 Ų | 113 | 127.6 Ų | 127.6 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | trans | -86.1 | 145.3 | 173 | -57.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 15 | T | 46.3 | Very low | 44.4 | Very low | 137 Ų | 137 | 132 Ų | 132 | 84% | 0.84 | 82% | 0.82 | S | S | * | * | trans | -67.2 | 157 | 170.5 | 45.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 16 | P | 50 | Low | 44.8 | Very low | 125 Ų | 125 | 133 Ų | 133 | 81% | 0.812 | 81% | 0.814 | S | S | * | * | trans | -128.1 | 137.1 | 142.8 | 27.3 | -10.2 | 0 | 0 | 0 | 113.9 | ||||
| 17 | K | 48.7 | Very low | 44.7 | Very low | 203 Ų | 203 | 129.8 Ų | 129.8 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | trans | -68.3 | 152.2 | 159.5 | -81.1 | 176.3 | 166.4 | 177.7 | 0 | 110.3 | ||||
| 18 | D | 36.8 | Very low | 44.9 | Very low | 157 Ų | 157 | 130.1 Ų | 130.1 | 84% | 0.84 | 81% | 0.807 | S | S | * | * | trans | -161 | 162.7 | 134 | -155.1 | 11.1 | 0 | 0 | 0 | 113.5 | ||||
| 19 | S | 50.7 | Low | 45.4 | Very low | 97 Ų | 97 | 127.2 Ų | 127.2 | 68% | 0.678 | 81% | 0.812 | S | S | * | * | trans | -130.4 | 154.7 | -151.6 | -31.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 20 | G | 39 | Very low | 45.7 | Very low | 72 Ų | 72 | 124.2 Ų | 124.2 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | trans | 74.8 | 156.2 | 158.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 21 | T | 41.7 | Very low | 46.6 | Very low | 142 Ų | 142 | 128.8 Ų | 128.8 | 87% | 0.871 | 81% | 0.809 | S | S | * | * | cis | -168.4 | 161.8 | 11.5 | -49.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 22 | A | 37.1 | Very low | 47.6 | Very low | 96 Ų | 96 | 134.4 Ų | 134.4 | 79% | 0.793 | 81% | 0.814 | S | S | * | * | trans | 85.1 | 124.3 | 148.8 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 23 | A | 44 | Very low | 48.6 | Very low | 93 Ų | 93 | 131.8 Ų | 131.8 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | trans | -84.3 | 160.1 | 161.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 24 | P | 51.1 | Low | 50.6 | Low | 133 Ų | 133 | 130.7 Ų | 130.7 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | -143.9 | 174.7 | 110.1 | 36.7 | -20.5 | 0 | 0 | 0 | 115.2 | |||||
| 25 | Q | 45.3 | Very low | 52.3 | Low | 179 Ų | 179 | 128.8 Ų | 128.8 | 84% | 0.836 | 78% | 0.776 | S | S | * | * | trans | -82.8 | 163.4 | -161.2 | -56.2 | -175.6 | -21.4 | 0 | 0 | 116.1 | ||||
| 26 | S | 42.9 | Very low | 53.8 | Low | 100 Ų | 100 | 125.7 Ų | 125.7 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | trans | 53.7 | 119.7 | 142.1 | -56.8 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 27 | T | 37.4 | Very low | 55.2 | Low | 134 Ų | 134 | 122.8 Ų | 122.8 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | 170.9 | 140.2 | 109.1 | 38.5 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 28 | S | 47.5 | Very low | 56.5 | Low | 106 Ų | 106 | 116.9 Ų | 116.9 | 74% | 0.741 | 73% | 0.729 | S | S | * | * | trans | 43.6 | 111.1 | 150.4 | 57.5 | 0 | 0 | 0 | 0 | 122.4 | G30 | S28-G30 PolarHBondContact O-N 3.04Š| ||
| 29 | S | 57.2 | Low | 58.6 | Low | 133 Ų | 133 | 115 Ų | 115 | 93% | 0.93 | 71% | 0.71 | S | S | * | * | 18 | 93.4 | 123.7 | 172.2 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 30 | G | 50.3 | Low | 60 | Low | 60 Ų | 60 | 116.6 Ų | 116.6 | 62% | 0.619 | 71% | 0.707 | S | S | * | * | trans | -174.2 | 125.4 | 156.7 | 0 | 0 | 0 | 0 | 0 | 106.2 | S28 R32 | S28-G30 PolarHBondContact O-N 3.04Å; G30-R32 VanDerWaalsContact C-N 3.35Å; G30-R32 PolarHBondContact O-N 3.44Å | ||
| 31 | K | 66.1 | Low | 61.9 | Low | 219 Ų | 219 | 121.9 Ų | 121.9 | 95% | 0.952 | 71% | 0.705 | S | S | * | * | trans | -56.1 | 95.9 | -174.6 | -85.4 | 160.1 | 178.5 | 169.1 | 0 | 110.2 | ||||
| 32 | R | 68.2 | Low | 63.6 | Low | 230 Ų | 230 | 119 Ų | 119 | 87% | 0.868 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 123.3 | -178.8 | -156.2 | 176.1 | -174.5 | -173.3 | 2.6 | 107.6 | G30 M34 | G30-R32 VanDerWaalsContact C-N 3.35Å; G30-R32 PolarHBondContact O-N 3.44Å; R32-M34 PolarHBondContact O-N 2.88Å; R32-M34 VanDerWaalsContact O-N 3.16Å |
| 33 | P | 75.8 | Confident | 65.4 | Low | 109 Ų | 109 | 124 Ų | 124 | 71% | 0.708 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 124.5 | 172 | 23.8 | -30.4 | 0 | 0 | 0 | 107.8 | S35 | P33-S35 PolarHBondContact O-N 3.3Š|
| 34 | M | 78.1 | Confident | 66.6 | Low | 106 Ų | 106 | 127.8 Ų | 127.8 | 52% | 0.522 | 68% | 0.681 | S | S | . | * | P | Polyproline II helix | trans | -55.4 | 137.7 | -176.1 | 11.6 | -172.2 | 75 | 0 | 0 | 110.4 | R32 L38 R39 L42 | R32-M34 PolarHBondContact O-N 2.88Å; R32-M34 VanDerWaalsContact O-N 3.16Å; M34-L38 HydrophobicContact CB-CD2 4.32Å; M34-R39 PolarHBondContact O-NH2 3.27Å; M34-L42 HydrophobicContact SD-CD1 4.34Å |
| 35 | S | 83.8 | Confident | 67.2 | Low | 73 Ų | 73 | 126.8 Ų | 126.8 | 51% | 0.51 | 67% | 0.673 | S | S | . | * | P | Polyproline II helix | trans | -57.6 | 147.3 | -178.7 | 64.9 | 0 | 0 | 0 | 0 | 111 | P33 A37 L38 R39 | P33-S35 PolarHBondContact O-N 3.3Å; S35-A37 PolarHBondContact O-N 3.21Å; S35-L38 PolarHBondContact O-N 2.8Å; S35-L38 WeakPolarHBondContact OG-CB 3.42Å; S35-L38 PolarHBondContact OG-N 3.3Å; S35-R39 PolarHBondContact O-N 3.13Å |
| 36 | A | 78.1 | Confident | 68 | Low | 73 Ų | 73 | 127.8 Ų | 127.8 | 60% | 0.603 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -54.3 | -40 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | R39 E40 | A36-R39 WeakPolarHBondContact O-CB 3.47Å; A36-R39 PolarHBondContact O-N 3.21Å; A36-E40 PolarHBondContact O-N 3.48Å |
| 37 | A | 80.1 | Confident | 68.8 | Low | 64 Ų | 64 | 134.6 Ų | 134.6 | 53% | 0.529 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -63.2 | -40.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | S35 R41 | S35-A37 PolarHBondContact O-N 3.21Å; A37-R41 WeakPolarHBondContact O-CG 3.48Å; A37-R41 PolarHBondContact O-N 3.43Å; A37-R41 VanDerWaalsContact O-N 3.08Å |
| 38 | L | 75.6 | Confident | 70 | Confident | 79 Ų | 79 | 132.7 Ų | 132.7 | 41% | 0.414 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -69.5 | -37.8 | 176.4 | -177.1 | 62.9 | 0 | 0 | 0 | 111.1 | M34 S35 E40 R41 L42 | M34-L38 HydrophobicContact CB-CD2 4.32Å; S35-L38 PolarHBondContact O-N 2.8Å; S35-L38 WeakPolarHBondContact OG-CB 3.42Å; S35-L38 PolarHBondContact OG-N 3.3Å; L38-E40 VanDerWaalsContact C-N 3.35Å; L38-R41 PolarHBondContact O-N 3.41Å; L38-L42 HydrophobicContact CD1-CG 4.47Å; L38-L42 HydrophobicContact CG-CD1 4.2Å; L38-L42 WeakPolarHBondContact O-CB 3.39Å; L38-L42 VanDerWaalsContact O-CG 3.32Å; L38-L42 WeakPolarHBondContact O-CG 3.34Å; L38-L42 PolarHBondContact O-N 3.41Å |
| 39 | R | 80.9 | Confident | 70.6 | Confident | 116 Ų | 116 | 136.6 Ų | 136.6 | 44% | 0.438 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -64.4 | -39.8 | 177.2 | -158 | -178.3 | -57.9 | 145 | 1.9 | 111.9 | M34 S35 A36 R43 | M34-R39 PolarHBondContact O-NH2 3.27Å; S35-R39 PolarHBondContact O-N 3.13Å; A36-R39 WeakPolarHBondContact O-CB 3.47Å; A36-R39 PolarHBondContact O-N 3.21Å; R39-R43 WeakPolarHBondContact O-CG 3.16Å; R39-R43 PolarHBondContact O-N 3.11Å |
| 40 | E | 79.3 | Confident | 70.6 | Confident | 131 Ų | 131 | 137.5 Ų | 137.5 | 61% | 0.612 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -66.3 | -44.4 | 175.2 | -167.1 | -174.4 | 164 | 0 | 0 | 111.6 | A36 L38 L42 R43 K44 | A36-E40 PolarHBondContact O-N 3.48Å; L38-E40 VanDerWaalsContact C-N 3.35Å; E40-L42 PolarHBondContact O-N 2.8Å; E40-R43 WeakPolarHBondContact O-CB 3.29Å; E40-R43 PolarHBondContact O-N 2.86Å; E40-K44 PolarHBondContact O-N 2.94Å |
| 41 | R | 80.4 | Confident | 70.8 | Confident | 184 Ų | 184 | 137 Ų | 137 | 69% | 0.694 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -59.6 | -46.6 | 174.5 | -76.5 | 175.9 | 62.6 | 164.5 | -0.6 | 112.2 | A37 L38 R43 K44 T45 | A37-R41 WeakPolarHBondContact O-CG 3.48Å; A37-R41 PolarHBondContact O-N 3.43Å; A37-R41 VanDerWaalsContact O-N 3.08Å; L38-R41 PolarHBondContact O-N 3.41Å; R41-R43 VanDerWaalsContact C-N 3.31Å; R41-R43 PolarHBondContact O-N 3.17Å; R41-K44 WeakPolarHBondContact O-CB 3.28Å; R41-K44 PolarHBondContact O-N 3.16Å; R41-K44 VanDerWaalsContact O-N 3.08Å; R41-T45 PolarHBondContact O-N 3.5Å; R41-T45 PolarHBondContact O-OG1 2.79Å |
| 42 | L | 75.4 | Confident | 70.4 | Confident | 81 Ų | 81 | 132.2 Ų | 132.2 | 42% | 0.424 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -63.8 | -34.6 | 177.2 | -71.3 | 173.8 | 0 | 0 | 0 | 112.6 | M34 L38 E40 T45 R46 | M34-L42 HydrophobicContact SD-CD1 4.34Å; L38-L42 HydrophobicContact CD1-CG 4.47Å; L38-L42 HydrophobicContact CG-CD1 4.2Å; L38-L42 WeakPolarHBondContact O-CB 3.39Å; L38-L42 VanDerWaalsContact O-CG 3.32Å; L38-L42 WeakPolarHBondContact O-CG 3.34Å; L38-L42 PolarHBondContact O-N 3.41Å; E40-L42 PolarHBondContact O-N 2.8Å; L42-T45 PolarHBondContact O-N 2.49Å; L42-R46 WeakPolarHBondContact O-CG 3.49Å; L42-R46 PolarHBondContact O-N 3.1Å; L42-R46 VanDerWaalsContact O-N 3.08Å |
| 43 | R | 74.9 | Confident | 69.6 | Low | 200 Ų | 200 | 129.1 Ų | 129.1 | 76% | 0.755 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -65.5 | -40 | 170.7 | -79.8 | -177.4 | 166.1 | 179.8 | -4.3 | 111.9 | R39 E40 R41 T45 R46 | R39-R43 WeakPolarHBondContact O-CG 3.16Å; R39-R43 PolarHBondContact O-N 3.11Å; E40-R43 WeakPolarHBondContact O-CB 3.29Å; E40-R43 PolarHBondContact O-N 2.86Å; R41-R43 VanDerWaalsContact C-N 3.31Å; R41-R43 PolarHBondContact O-N 3.17Å; R43-T45 VanDerWaalsContact C-N 3.32Å; R43-T45 PolarHBondContact O-N 3.33Å; R43-R46 PolarHBondContact O-N 2.74Å |
| 44 | K | 70.6 | Confident | 68.9 | Low | 173 Ų | 173 | 130.3 Ų | 130.3 | 75% | 0.752 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -66.1 | -32.9 | 177 | -146.1 | 87.9 | 170.3 | -171.5 | 0 | 112.5 | E40 R41 | E40-K44 PolarHBondContact O-N 2.94Å; R41-K44 WeakPolarHBondContact O-CB 3.28Å; R41-K44 PolarHBondContact O-N 3.16Å; R41-K44 VanDerWaalsContact O-N 3.08Å |
| 45 | T | 63.1 | Low | 67.8 | Low | 113 Ų | 113 | 131.7 Ų | 131.7 | 69% | 0.693 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -86.6 | -17.9 | -179.9 | -46 | 0 | 0 | 0 | 0 | 113.5 | R41 L42 R43 R47 | R41-T45 PolarHBondContact O-N 3.5Å; R41-T45 PolarHBondContact O-OG1 2.79Å; L42-T45 PolarHBondContact O-N 2.49Å; R43-T45 VanDerWaalsContact C-N 3.32Å; R43-T45 PolarHBondContact O-N 3.33Å; T45-R47 PolarHBondContact O-N 3.24Å |
| 46 | R | 61.5 | Low | 66.3 | Low | 199 Ų | 199 | 132.5 Ų | 132.5 | 75% | 0.751 | 68% | 0.678 | S | S | * | * | trans | -79.1 | 66.6 | 172.8 | -81.2 | -177.8 | 175.1 | -112.7 | 2.2 | 111.6 | L42 R43 | L42-R46 WeakPolarHBondContact O-CG 3.49Å; L42-R46 PolarHBondContact O-N 3.1Å; L42-R46 VanDerWaalsContact O-N 3.08Å; R43-R46 PolarHBondContact O-N 2.74Å | ||
| 47 | R | 61.3 | Low | 65.7 | Low | 243 Ų | 243 | 138.6 Ų | 138.6 | 92% | 0.917 | 69% | 0.691 | S | S | * | * | trans | -115.5 | 55.9 | 159.6 | -156.2 | -177.6 | -164.5 | -159.7 | 4.5 | 109.9 | T45 | T45-R47 PolarHBondContact O-N 3.24Š| ||
| 48 | S | 62.8 | Low | 64.8 | Low | 95 Ų | 95 | 147 Ų | 147 | 66% | 0.664 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -126.7 | 112.3 | 159.1 | 51 | 0 | 0 | 0 | 0 | 108.3 | ||
| 49 | F | 59.3 | Low | 63.4 | Low | 187 Ų | 187 | 150.5 Ų | 150.5 | 82% | 0.82 | 73% | 0.727 | S | S | * | * | trans | 31.2 | 86.3 | 162.2 | -90 | -99.2 | 0 | 0 | 0 | 117.4 | A51 | F49-A51 HydrophobicContact CD1-CB 4.35Š| ||
| 50 | N | 56.7 | Low | 62.2 | Low | 152 Ų | 152 | 155.8 Ų | 155.8 | 81% | 0.813 | 75% | 0.747 | S | S | * | * | trans | -113.7 | 75.5 | 143.3 | -88.4 | -46.8 | 0 | 0 | 0 | 106.9 | S52 | N50-S52 PolarHBondContact O-N 3.14Š| ||
| 51 | A | 54.6 | Low | 60.8 | Low | 49 Ų | 49 | 155.9 Ų | 155.9 | 41% | 0.405 | 75% | 0.75 | S | S | . | * | trans | -80.7 | 101.3 | 163.3 | 0 | 0 | 0 | 0 | 0 | 106.4 | F49 F53 | F49-A51 HydrophobicContact CD1-CB 4.35Å; A51-F53 HydrophobicContact CB-CD2 3.28Å; A51-F53 HydrophobicContact CB-CE2 3.17Å; A51-F53 HydrophobicContact CB-CG 4.25Å; A51-F53 HydrophobicContact CB-CZ 4.06Å; A51-F53 PolarHBondContact O-N 3.44Å | ||
| 52 | S | 56.9 | Low | 59.5 | Low | 119 Ų | 119 | 153.3 Ų | 153.3 | 83% | 0.832 | 75% | 0.75 | S | S | * | * | trans | -68.2 | 70.9 | 159.7 | 44.6 | 0 | 0 | 0 | 0 | 107.8 | N50 T54 | N50-S52 PolarHBondContact O-N 3.14Å; S52-T54 PolarHBondContact O-N 3.19Å; S52-T54 VanDerWaalsContact O-N 3.13Å | ||
| 53 | F | 52.7 | Low | 58.2 | Low | 165 Ų | 165 | 156.2 Ų | 156.2 | 72% | 0.724 | 77% | 0.771 | S | S | * | * | trans | -69.5 | 105.3 | 162.2 | -73.4 | -72.2 | 0 | 0 | 0 | 105.8 | A51 V55 | A51-F53 HydrophobicContact CB-CD2 3.28Å; A51-F53 HydrophobicContact CB-CE2 3.17Å; A51-F53 HydrophobicContact CB-CG 4.25Å; A51-F53 HydrophobicContact CB-CZ 4.06Å; A51-F53 PolarHBondContact O-N 3.44Å; F53-V55 VanDerWaalsContact C-N 3.34Å; F53-V55 PolarHBondContact O-N 2.61Å | ||
| 54 | T | 60.1 | Low | 57.3 | Low | 135 Ų | 135 | 154.9 Ų | 154.9 | 83% | 0.828 | 77% | 0.774 | S | S | * | * | trans | -48.2 | 107.4 | 150.9 | 30.8 | 0 | 0 | 0 | 0 | 106.7 | S52 A56 | S52-T54 PolarHBondContact O-N 3.19Å; S52-T54 VanDerWaalsContact O-N 3.13Å; T54-A56 VanDerWaalsContact C-N 3.28Å; T54-A56 PolarHBondContact O-N 3.05Å | ||
| 55 | V | 54.8 | Low | 56.4 | Low | 134 Ų | 134 | 155 Ų | 155 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | trans | -62.3 | 95.7 | 174.8 | 175.6 | 0 | 0 | 0 | 0 | 106.5 | F53 K57 | F53-V55 VanDerWaalsContact C-N 3.34Å; F53-V55 PolarHBondContact O-N 2.61Å; V55-K57 PolarHBondContact O-N 3.47Å | ||
| 56 | A | 52.8 | Low | 55.7 | Low | 91 Ų | 91 | 158.9 Ų | 158.9 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | trans | -58.3 | 135.6 | 167.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | T54 | T54-A56 VanDerWaalsContact C-N 3.28Å; T54-A56 PolarHBondContact O-N 3.05Å | ||
| 57 | K | 66.3 | Low | 55.1 | Low | 201 Ų | 201 | 155.4 Ų | 155.4 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | trans | -45.7 | 140 | -173 | -68.6 | 167.9 | 174.8 | 171.3 | 0 | 112 | V55 L59 | V55-K57 PolarHBondContact O-N 3.47Å; K57-L59 PolarHBondContact O-N 2.86Å | ||
| 58 | R | 60.5 | Low | 54 | Low | 240 Ų | 240 | 149.9 Ų | 149.9 | 91% | 0.906 | 78% | 0.778 | S | S | * | * | trans | -42.8 | 117.9 | 171.3 | -56 | 173.4 | -147.9 | -149.4 | 2.8 | 109.7 | R60 | R58-R60 PolarHBondContact O-N 3.44Å; R58-R60 VanDerWaalsContact O-N 3.16Å | ||
| 59 | L | 45.7 | Very low | 53 | Low | 153 Ų | 153 | 150 Ų | 150 | 80% | 0.801 | 79% | 0.785 | S | S | * | * | trans | -69 | 107 | 166.9 | -129.3 | 147.5 | 0 | 0 | 0 | 106.4 | K57 I61 | K57-L59 PolarHBondContact O-N 2.86Å; L59-I61 HydrophobicContact CD2-CG1 3.99Å; L59-I61 PolarHBondContact O-N 2.94Å | ||
| 60 | R | 56.7 | Low | 52.1 | Low | 226 Ų | 226 | 146.3 Ų | 146.3 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | trans | -70.8 | 110.6 | 160.3 | -80.7 | -167.7 | 165.2 | 172.9 | -4.1 | 105.7 | R58 | R58-R60 PolarHBondContact O-N 3.44Å; R58-R60 VanDerWaalsContact O-N 3.16Å | ||
| 61 | I | 50 | Low | 51.3 | Low | 134 Ų | 134 | 144 Ų | 144 | 69% | 0.687 | 78% | 0.784 | S | S | * | * | trans | -91.8 | 108 | 165.6 | -61.1 | 168.3 | 0 | 0 | 0 | 103.8 | L59 T63 | L59-I61 HydrophobicContact CD2-CG1 3.99Å; L59-I61 PolarHBondContact O-N 2.94Å; I61-T63 PolarHBondContact O-N 3.31Å | ||
| 62 | D | 52.6 | Low | 50.5 | Low | 130 Ų | 130 | 148.4 Ų | 148.4 | 70% | 0.695 | 80% | 0.801 | S | S | * | * | trans | -67.2 | 115.1 | 162.6 | -82.3 | -36.1 | 0 | 0 | 0 | 106.8 | E64 | D62-E64 PolarHBondContact O-N 3.25Š| ||
| 63 | T | 48.5 | Very low | 49.4 | Very low | 141 Ų | 141 | 151 Ų | 151 | 87% | 0.865 | 80% | 0.8 | S | S | * | * | trans | -75.6 | 94.2 | 167.4 | 24.9 | 0 | 0 | 0 | 0 | 108.3 | I61 | I61-T63 PolarHBondContact O-N 3.31Š| ||
| 64 | E | 55.6 | Low | 48.6 | Very low | 172 Ų | 172 | 146.7 Ų | 146.7 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -117.9 | 86.2 | 163.4 | 58.4 | -150.9 | 175.1 | 0 | 0 | 109.1 | D62 | D62-E64 PolarHBondContact O-N 3.25Š| ||
| 65 | E | 52.1 | Low | 47.3 | Very low | 175 Ų | 175 | 146 Ų | 146 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -162.6 | 104.6 | 152.2 | -168.2 | -174.6 | 167.2 | 0 | 0 | 109 | ||||
| 66 | K | 49 | Very low | 46.5 | Very low | 196 Ų | 196 | 147.9 Ų | 147.9 | 85% | 0.852 | 80% | 0.8 | S | S | * | * | trans | -154.9 | 117.3 | 138.7 | -149.4 | 171.5 | -179.4 | 178.3 | 0 | 112.9 | ||||
| 67 | D | 47.3 | Very low | 45.5 | Very low | 126 Ų | 126 | 149.4 Ų | 149.4 | 67% | 0.674 | 81% | 0.805 | S | S | * | * | trans | -3 | 137.1 | 158.1 | -59.4 | -44.1 | 0 | 0 | 0 | 121.5 | ||||
| 68 | C | 39.3 | Very low | 44.3 | Very low | 126 Ų | 126 | 149.4 Ų | 149.4 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | trans | 29.5 | 120.6 | 145.1 | -63.4 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 69 | A | 42.7 | Very low | 42.9 | Very low | 99 Ų | 99 | 147 Ų | 147 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | 111.8 | 121.3 | 134.6 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 70 | A | 38.8 | Very low | 42.6 | Very low | 108 Ų | 108 | 146.1 Ų | 146.1 | 89% | 0.893 | 80% | 0.797 | S | S | * | * | trans | 66.9 | 138.9 | 147.9 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 71 | S | 40.8 | Very low | 41.5 | Very low | 103 Ų | 103 | 141.9 Ų | 141.9 | 72% | 0.72 | 79% | 0.79 | S | S | * | * | trans | -29.7 | 138.8 | 179.9 | -102.5 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 72 | D | 36.4 | Very low | 40.7 | Very low | 142 Ų | 142 | 142.1 Ų | 142.1 | 76% | 0.759 | 79% | 0.792 | S | S | * | * | 73.1 | 126.1 | 125.2 | -63.8 | -35.2 | 0 | 0 | 0 | 124.4 | |||||
| 73 | E | 35.7 | Very low | 39.9 | Very low | 175 Ų | 175 | 145.6 Ų | 145.6 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | 90.9 | 149.9 | 138.6 | -84.1 | -68 | 165.4 | 0 | 0 | 122 | ||||
| 74 | A | 34.6 | Very low | 39.5 | Very low | 73 Ų | 73 | 144.5 Ų | 144.5 | 60% | 0.603 | 80% | 0.8 | S | S | * | * | trans | -58.7 | 151.5 | -151.3 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 75 | S | 32.6 | Very low | 38.4 | Very low | 120 Ų | 120 | 146.4 Ų | 146.4 | 84% | 0.839 | 80% | 0.8 | S | S | * | * | 160.2 | 154.9 | 95.8 | 55.1 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 76 | L | 38.7 | Very low | 37.6 | Very low | 175 Ų | 175 | 146.7 Ų | 146.7 | 92% | 0.916 | 81% | 0.806 | S | S | * | * | trans | -49.8 | 140.3 | -177.2 | -67.4 | 143.1 | 0 | 0 | 0 | 115.2 | ||||
| 77 | S | 32.5 | Very low | 36.8 | Very low | 122 Ų | 122 | 144.9 Ų | 144.9 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | trans | -170.6 | 130.3 | 136.4 | 178.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 78 | K | 40.3 | Very low | 36.1 | Very low | 201 Ų | 201 | 146.7 Ų | 146.7 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | trans | -93.7 | 119.5 | -175.2 | -171.4 | 179.6 | -167.4 | 173.7 | 0 | 108.1 | ||||
| 79 | K | 31.5 | Very low | 35.8 | Very low | 190 Ų | 190 | 145.4 Ų | 145.4 | 83% | 0.826 | 80% | 0.803 | S | S | * | * | trans | -159.2 | 114.7 | 155.3 | -131.2 | 171.5 | -178.7 | 175.1 | 0 | 114.3 | ||||
| 80 | N | 39.5 | Very low | 35.7 | Very low | 135 Ų | 135 | 146.5 Ų | 146.5 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | trans | -62 | 134.5 | 159 | 178.6 | -28.2 | 0 | 0 | 0 | 109.4 | ||||
| 81 | I | 33.9 | Very low | 35.6 | Very low | 137 Ų | 137 | 150.4 Ų | 150.4 | 70% | 0.703 | 80% | 0.801 | S | S | * | * | trans | -135.6 | 110.3 | 166.6 | -62.5 | -176.9 | 0 | 0 | 0 | 109.8 | ||||
| 82 | D | 32.6 | Very low | 35.3 | Very low | 138 Ų | 138 | 151 Ų | 151 | 74% | 0.738 | 81% | 0.806 | S | S | * | * | trans | -58.4 | 139.1 | 159.4 | -80.4 | -49.5 | 0 | 0 | 0 | 111.8 | ||||
| 83 | F | 35.8 | Very low | 35.6 | Very low | 203 Ų | 203 | 152.7 Ų | 152.7 | 89% | 0.89 | 81% | 0.813 | S | S | * | * | trans | -85 | 110.6 | 168.9 | -80.6 | -93.4 | 0 | 0 | 0 | 110.3 | ||||
| 84 | S | 39 | Very low | 35.5 | Very low | 118 Ų | 118 | 151.8 Ų | 151.8 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | trans | -154.4 | 141.3 | 160 | -81.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 85 | R | 32.6 | Very low | 35.8 | Very low | 212 Ų | 212 | 159.2 Ų | 159.2 | 80% | 0.8 | 82% | 0.822 | S | S | * | * | trans | 96.5 | 88.9 | 164.5 | -160.4 | 178.1 | -66.8 | -109.5 | -0.4 | 116.2 | Q87 | R85-Q87 HydrophobicContact CG-CG 3.94Š| ||
| 86 | L | 35.5 | Very low | 36.1 | Very low | 182 Ų | 182 | 159.7 Ų | 159.7 | 95% | 0.953 | 82% | 0.815 | S | S | * | * | trans | -80.8 | 113.4 | 149 | -68.9 | 171.7 | 0 | 0 | 0 | 107.6 | ||||
| 87 | Q | 33 | Very low | 35.8 | Very low | 158 Ų | 158 | 157.4 Ų | 157.4 | 74% | 0.738 | 81% | 0.812 | S | S | * | * | trans | -101 | 125.5 | 159.1 | -79.6 | -126 | 58 | 0 | 0 | 106.6 | R85 | R85-Q87 HydrophobicContact CG-CG 3.94Š| ||
| 88 | D | 31.5 | Very low | 36.2 | Very low | 163 Ų | 163 | 157.8 Ų | 157.8 | 87% | 0.872 | 81% | 0.811 | S | S | * | * | trans | -98.4 | 129.4 | 171.9 | -144.2 | 1.9 | 0 | 0 | 0 | 108 | ||||
| 89 | S | 34.6 | Very low | 35.9 | Very low | 100 Ų | 100 | 151.3 Ų | 151.3 | 70% | 0.699 | 80% | 0.802 | S | S | * | * | trans | -108.5 | 134.9 | -175.8 | 171.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 90 | P | 39.9 | Very low | 36.3 | Very low | 122 Ų | 122 | 151.7 Ų | 151.7 | 79% | 0.792 | 81% | 0.806 | S | S | * | * | trans | -112.3 | 127.3 | 154.5 | 31.4 | -22.1 | 0 | 0 | 0 | 111.6 | ||||
| 91 | E | 36.3 | Very low | 36.3 | Very low | 189 Ų | 189 | 150.4 Ų | 150.4 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | trans | -56.8 | 141.9 | 176.3 | -71.1 | 171.4 | 138.1 | 0 | 0 | 113.1 | ||||
| 92 | S | 34.4 | Very low | 36.6 | Very low | 116 Ų | 116 | 153.8 Ų | 153.8 | 81% | 0.811 | 82% | 0.819 | S | S | * | * | trans | -76.9 | 132.9 | 170.8 | 56.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 93 | L | 42.5 | Very low | 36.9 | Very low | 177 Ų | 177 | 154.6 Ų | 154.6 | 93% | 0.927 | 82% | 0.816 | S | S | * | * | trans | -119.3 | 122.9 | 153.8 | -161.7 | 77.5 | 0 | 0 | 0 | 110.2 | ||||
| 94 | E | 34.3 | Very low | 37.2 | Very low | 156 Ų | 156 | 154.4 Ų | 154.4 | 73% | 0.729 | 82% | 0.815 | S | S | * | * | trans | -70.1 | 137.1 | -175.6 | -141.9 | -140.8 | 100.8 | 0 | 0 | 112.8 | N96 | E94-N96 PolarHBondContact OE1-OD1 2.94Å; E94-N96 VanDerWaalsContact OE1-OD1 3.11Å | ||
| 95 | R | 40.9 | Very low | 37.4 | Very low | 230 Ų | 230 | 154.3 Ų | 154.3 | 87% | 0.868 | 81% | 0.814 | S | S | * | * | trans | -160.3 | 92 | 151.9 | -163 | 171.5 | -72 | -155 | -1 | 112.1 | ||||
| 96 | N | 38.4 | Very low | 37.8 | Very low | 130 Ų | 130 | 149.9 Ų | 149.9 | 70% | 0.695 | 82% | 0.815 | S | S | * | * | trans | 51.2 | 121 | 137.6 | -48.8 | -7.5 | 0 | 0 | 0 | 121.6 | E94 | E94-N96 PolarHBondContact OE1-OD1 2.94Å; E94-N96 VanDerWaalsContact OE1-OD1 3.11Å | ||
| 97 | C | 32.3 | Very low | 38.5 | Very low | 126 Ų | 126 | 149.2 Ų | 149.2 | 85% | 0.851 | 81% | 0.812 | S | S | * | * | trans | -50.2 | -177.9 | 166.4 | -62 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 98 | P | 41.7 | Very low | 38.9 | Very low | 130 Ų | 130 | 150.3 Ų | 150.3 | 84% | 0.844 | 82% | 0.817 | S | S | * | * | cis | -147.2 | 175.3 | 16.2 | 40.7 | -19.2 | 0 | 0 | 0 | 117.9 | ||||
| 99 | G | 33.6 | Very low | 39.3 | Very low | 65 Ų | 65 | 151 Ų | 151 | 67% | 0.67 | 81% | 0.812 | S | S | * | * | trans | 139.3 | 93.7 | 149.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 100 | H | 39.2 | Very low | 39.8 | Very low | 198 Ų | 198 | 151.5 Ų | 151.5 | 92% | 0.917 | 82% | 0.815 | S | S | * | * | trans | 12.4 | 121 | 146 | -59.4 | -86.3 | 0 | 0 | 0 | 119.8 | ||||
| 101 | A | 40 | Very low | 39.9 | Very low | 109 Ų | 109 | 151.3 Ų | 151.3 | 90% | 0.901 | 82% | 0.817 | S | S | * | * | -165.7 | 124.7 | 122.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 102 | R | 40.9 | Very low | 41 | Very low | 208 Ų | 208 | 148.3 Ų | 148.3 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | trans | -99.8 | 138.3 | -178.4 | -163.9 | -169.1 | -177.5 | -167 | -5.5 | 107.5 | ||||
| 103 | F | 37.8 | Very low | 41.3 | Very low | 154 Ų | 154 | 149.4 Ų | 149.4 | 68% | 0.675 | 82% | 0.82 | S | S | * | * | trans | 67.6 | 130.5 | 166.9 | -51.9 | -63.3 | 0 | 0 | 0 | 118 | ||||
| 104 | K | 43.2 | Very low | 41.1 | Very low | 200 Ų | 200 | 144.2 Ų | 144.2 | 87% | 0.87 | 81% | 0.81 | S | S | * | * | -178.8 | 136.6 | 88.9 | -89.5 | -179.9 | -174.7 | -179.4 | 0 | 111 | |||||
| 105 | S | 43.3 | Very low | 41.7 | Very low | 116 Ų | 116 | 141.4 Ų | 141.4 | 81% | 0.811 | 81% | 0.807 | S | S | * | * | trans | -54.5 | 138.5 | 160.3 | 50.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 106 | S | 40.4 | Very low | 42 | Very low | 119 Ų | 119 | 136 Ų | 136 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | trans | -130.7 | 99 | 155.5 | -168.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 107 | L | 49.6 | Very low | 42.6 | Very low | 167 Ų | 167 | 137.3 Ų | 137.3 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | trans | -91.3 | 110.5 | 166.3 | -172.3 | 99.6 | 0 | 0 | 0 | 106.4 | ||||
| 108 | Q | 41.3 | Very low | 43.9 | Very low | 181 Ų | 181 | 135.8 Ų | 135.8 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | trans | 179.1 | 150.6 | 158.4 | -98.7 | -170.3 | 25.6 | 0 | 0 | 107.8 | ||||
| 109 | K | 40.9 | Very low | 44.7 | Very low | 179 Ų | 179 | 134.6 Ų | 134.6 | 78% | 0.778 | 78% | 0.778 | S | S | * | * | cis | -175.9 | 142.2 | -26.6 | -160.4 | 169 | -179.1 | 177.3 | 0 | 104 | ||||
| 110 | S | 44.1 | Very low | 45.6 | Very low | 109 Ų | 109 | 135.9 Ų | 135.9 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | trans | 56.1 | 119.7 | 153.5 | 60.4 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 111 | S | 43 | Very low | 46.2 | Very low | 118 Ų | 118 | 132.6 Ų | 132.6 | 83% | 0.825 | 76% | 0.762 | S | S | * | * | -167.5 | 142.6 | 108 | 65.8 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 112 | P | 59.5 | Low | 47.1 | Very low | 126 Ų | 126 | 132.7 Ų | 132.7 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | trans | -115.6 | 115.3 | 167 | 32.9 | -18.8 | 0 | 0 | 0 | 110.7 | ||||
| 113 | C | 39.9 | Very low | 48 | Very low | 139 Ų | 139 | 132.4 Ų | 132.4 | 94% | 0.939 | 75% | 0.745 | S | S | * | * | trans | -171 | 136 | 152.4 | -148.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 114 | G | 38.2 | Very low | 49.3 | Very low | 69 Ų | 69 | 127.3 Ų | 127.3 | 71% | 0.711 | 73% | 0.732 | S | S | * | * | trans | 115.1 | 107.7 | 144 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 115 | S | 47.9 | Very low | 50.6 | Low | 96 Ų | 96 | 122.4 Ų | 122.4 | 67% | 0.671 | 72% | 0.715 | S | S | * | * | trans | 67.9 | 84.4 | 157.4 | -142.7 | 0 | 0 | 0 | 0 | 117.9 | E117 | S115-E117 PolarHBondContact O-N 3.49Å; S115-E117 PolarHBondContact OG-OE1 3.28Å | ||
| 116 | T | 45.9 | Very low | 52.1 | Low | 118 Ų | 118 | 123.6 Ų | 123.6 | 72% | 0.724 | 71% | 0.706 | S | S | * | * | trans | -73.8 | 80.6 | 159.9 | -56.4 | 0 | 0 | 0 | 0 | 109.4 | N118 | T116-N118 WeakPolarHBondContact CG2-OD1 3.47Å; T116-N118 PolarHBondContact O-N 3.11Å | ||
| 117 | E | 51.7 | Low | 54 | Low | 156 Ų | 156 | 121.4 Ų | 121.4 | 73% | 0.729 | 69% | 0.69 | S | S | * | * | trans | -89.2 | 89.4 | 153.6 | -38.4 | -172.7 | -150.7 | 0 | 0 | 105.5 | S115 P119 | S115-E117 PolarHBondContact O-N 3.49Å; S115-E117 PolarHBondContact OG-OE1 3.28Å; E117-P119 WeakPolarHBondContact O-CD 3.4Å; E117-P119 WeakPolarHBondContact O-CG 3.33Å | ||
| 118 | N | 60.6 | Low | 55.8 | Low | 95 Ų | 95 | 118.8 Ų | 118.8 | 51% | 0.508 | 67% | 0.674 | S | S | . | * | trans | -47.3 | 100.4 | -171 | -75.4 | -60.4 | 0 | 0 | 0 | 113.1 | T116 C120 M121 | T116-N118 WeakPolarHBondContact CG2-OD1 3.47Å; T116-N118 PolarHBondContact O-N 3.11Å; N118-C120 PolarHBondContact O-N 2.95Å; N118-M121 HydrophobicContact CB-CG 4.24Å | ||
| 119 | P | 56.7 | Low | 58.2 | Low | 105 Ų | 105 | 115.3 Ų | 115.3 | 68% | 0.682 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -76.3 | -11.2 | 168.6 | -2.3 | 23.3 | 0 | 0 | 0 | 110 | E117 R123 | E117-P119 WeakPolarHBondContact O-CD 3.4Å; E117-P119 WeakPolarHBondContact O-CG 3.33Å; P119-R123 WeakPolarHBondContact O-CB 3.34Å; P119-R123 PolarHBondContact O-N 3.45Å |
| 120 | C | 53.1 | Low | 60.6 | Low | 91 Ų | 91 | 115.8 Ų | 115.8 | 62% | 0.615 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -77 | -30.1 | -172.9 | -158.3 | 0 | 0 | 0 | 0 | 112.9 | N118 A124 | N118-C120 PolarHBondContact O-N 2.95Å; C120-A124 PolarHBondContact O-N 3.15Å |
| 121 | M | 51.5 | Low | 62.8 | Low | 129 Ų | 129 | 112.8 Ų | 112.8 | 64% | 0.635 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -72 | -50.2 | 179.6 | -73.3 | -63.6 | -149.8 | 0 | 0 | 111.3 | N118 R123 A124 D125 | N118-M121 HydrophobicContact CB-CG 4.24Å; M121-R123 VanDerWaalsContact C-N 3.29Å; M121-R123 PolarHBondContact O-N 3.2Å; M121-A124 PolarHBondContact O-N 2.88Å; M121-A124 VanDerWaalsContact O-N 3.14Å; M121-D125 PolarHBondContact O-N 3.36Å; M121-D125 VanDerWaalsContact O-N 3.09Å |
| 122 | L | 58.6 | Low | 65.2 | Low | 112 Ų | 112 | 111.1 Ų | 111.1 | 59% | 0.586 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -60.3 | -38.1 | 176.8 | -72.4 | 167.3 | 0 | 0 | 0 | 112.3 | A124 D125 F126 | L122-A124 VanDerWaalsContact C-N 3.35Å; L122-A124 PolarHBondContact O-N 3.48Å; L122-D125 PolarHBondContact O-N 2.91Å; L122-F126 WeakPolarHBondContact O-CD2 3.26Å; L122-F126 PolarHBondContact O-N 3.5Å; L122-F126 VanDerWaalsContact O-N 3.09Å |
| 123 | R | 60 | Low | 66.9 | Low | 201 Ų | 201 | 110.6 Ų | 110.6 | 76% | 0.758 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -64.6 | -38 | 177.7 | -165.2 | 179.3 | -142.4 | -167 | 6.1 | 112.6 | P119 M121 S127 | P119-R123 WeakPolarHBondContact O-CB 3.34Å; P119-R123 PolarHBondContact O-N 3.45Å; M121-R123 VanDerWaalsContact C-N 3.29Å; M121-R123 PolarHBondContact O-N 3.2Å; R123-S127 WeakPolarHBondContact O-CB 3.36Å; R123-S127 PolarHBondContact O-N 2.97Å; R123-S127 PolarHBondContact O-OG 2.94Å |
| 124 | A | 65.5 | Low | 69.5 | Low | 47 Ų | 47 | 108.3 Ų | 108.3 | 39% | 0.388 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -67.1 | -41 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111 | C120 M121 L122 S127 H128 | C120-A124 PolarHBondContact O-N 3.15Å; M121-A124 PolarHBondContact O-N 2.88Å; M121-A124 VanDerWaalsContact O-N 3.14Å; L122-A124 VanDerWaalsContact C-N 3.35Å; L122-A124 PolarHBondContact O-N 3.48Å; A124-S127 WeakPolarHBondContact CA-OG 3.48Å; A124-S127 PolarHBondContact O-N 3.36Å; A124-S127 PolarHBondContact O-OG 3.26Å; A124-H128 WeakPolarHBondContact O-CB 3.45Å; A124-H128 PolarHBondContact O-N 3.31Å |
| 125 | D | 70 | Confident | 72.3 | Confident | 97 Ų | 97 | 110.8 Ų | 110.8 | 52% | 0.519 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -63.8 | -45.5 | 179.2 | -63.5 | -30 | 0 | 0 | 0 | 112.4 | M121 L122 S127 H128 Q129 | M121-D125 PolarHBondContact O-N 3.36Å; M121-D125 VanDerWaalsContact O-N 3.09Å; L122-D125 PolarHBondContact O-N 2.91Å; D125-S127 VanDerWaalsContact C-N 3.32Å; D125-S127 PolarHBondContact O-N 3.14Å; D125-H128 PolarHBondContact O-N 3.3Å; D125-Q129 WeakPolarHBondContact O-CB 3.44Å; D125-Q129 PolarHBondContact O-N 3.14Å |
| 126 | F | 75.8 | Confident | 74.6 | Confident | 141 Ų | 141 | 111.3 Ų | 111.3 | 62% | 0.618 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -63.8 | -36.7 | 174.2 | -76.6 | -68.8 | 0 | 0 | 0 | 112.8 | L122 R130 | L122-F126 WeakPolarHBondContact O-CD2 3.26Å; L122-F126 PolarHBondContact O-N 3.5Å; L122-F126 VanDerWaalsContact O-N 3.09Å; F126-R130 WeakPolarHBondContact O-CB 3.44Å; F126-R130 PolarHBondContact O-N 3.49Å |
| 127 | S | 80.8 | Confident | 77.1 | Confident | 73 Ų | 73 | 112.2 Ų | 112.2 | 51% | 0.51 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -68.7 | -37.4 | 176.6 | 76.5 | 0 | 0 | 0 | 0 | 112.1 | R123 A124 D125 S131 | R123-S127 WeakPolarHBondContact O-CB 3.36Å; R123-S127 PolarHBondContact O-N 2.97Å; R123-S127 PolarHBondContact O-OG 2.94Å; A124-S127 WeakPolarHBondContact CA-OG 3.48Å; A124-S127 PolarHBondContact O-N 3.36Å; A124-S127 PolarHBondContact O-OG 3.26Å; D125-S127 VanDerWaalsContact C-N 3.32Å; D125-S127 PolarHBondContact O-N 3.14Å; S127-S131 WeakPolarHBondContact O-CB 3.35Å; S127-S131 PolarHBondContact O-N 2.77Å |
| 128 | H | 86.7 | Confident | 79.3 | Confident | 113 Ų | 113 | 108.5 Ų | 108.5 | 52% | 0.523 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -69.3 | -44.7 | 177.4 | -171.5 | 65.4 | 0 | 0 | 0 | 111.2 | A124 D125 S131 L132 | A124-H128 WeakPolarHBondContact O-CB 3.45Å; A124-H128 PolarHBondContact O-N 3.31Å; D125-H128 PolarHBondContact O-N 3.3Å; H128-S131 WeakPolarHBondContact O-CB 3.33Å; H128-S131 PolarHBondContact O-N 3.36Å; H128-S131 VanDerWaalsContact O-N 3.17Å; H128-L132 WeakPolarHBondContact O-CG 3.08Å; H128-L132 PolarHBondContact O-N 3.47Å |
| 129 | Q | 91.1 | Very high | 81.1 | Confident | 107 Ų | 107 | 108.9 Ų | 108.9 | 50% | 0.5 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.7 | -46 | 177 | -178.9 | 162.4 | -6.8 | 0 | 0 | 112.2 | D125 S131 L132 E133 | D125-Q129 WeakPolarHBondContact O-CB 3.44Å; D125-Q129 PolarHBondContact O-N 3.14Å; Q129-S131 VanDerWaalsContact C-N 3.27Å; Q129-S131 PolarHBondContact O-N 2.91Å; Q129-L132 PolarHBondContact O-N 3.07Å; Q129-L132 VanDerWaalsContact O-N 3.12Å; Q129-E133 PolarHBondContact NE2-OE1 2.97Å; Q129-E133 WeakPolarHBondContact O-CG 3.49Å; Q129-E133 PolarHBondContact O-N 3.17Å |
| 130 | R | 91.4 | Very high | 83.1 | Confident | 189 Ų | 189 | 110.2 Ų | 110.2 | 71% | 0.713 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -59.2 | -39.4 | 174 | -173.4 | -177.3 | -69.6 | 170.4 | -2.5 | 111.9 | F126 E133 E134 | F126-R130 WeakPolarHBondContact O-CB 3.44Å; F126-R130 PolarHBondContact O-N 3.49Å; R130-E133 PolarHBondContact O-N 3.24Å; R130-E134 WeakPolarHBondContact O-CB 3.45Å; R130-E134 PolarHBondContact O-N 2.86Å |
| 131 | S | 91.6 | Very high | 85.3 | Confident | 47 Ų | 47 | 110.4 Ų | 110.4 | 33% | 0.329 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.5 | -38.5 | 175.6 | -175.2 | 0 | 0 | 0 | 0 | 112.4 | S127 H128 Q129 E134 K135 | S127-S131 WeakPolarHBondContact O-CB 3.35Å; S127-S131 PolarHBondContact O-N 2.77Å; H128-S131 WeakPolarHBondContact O-CB 3.33Å; H128-S131 PolarHBondContact O-N 3.36Å; H128-S131 VanDerWaalsContact O-N 3.17Å; Q129-S131 VanDerWaalsContact C-N 3.27Å; Q129-S131 PolarHBondContact O-N 2.91Å; S131-E134 PolarHBondContact O-N 3.28Å; S131-K135 VanDerWaalsContact O-CG 3.31Å; S131-K135 WeakPolarHBondContact O-CG 3.33Å; S131-K135 PolarHBondContact O-N 3.3Å |
| 132 | L | 93.6 | Very high | 87.5 | Confident | 83 Ų | 83 | 107.9 Ų | 107.9 | 44% | 0.435 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.9 | -44.8 | 175.6 | -71.7 | 175.1 | 0 | 0 | 0 | 111.7 | H128 Q129 E134 K135 V136 | H128-L132 WeakPolarHBondContact O-CG 3.08Å; H128-L132 PolarHBondContact O-N 3.47Å; Q129-L132 PolarHBondContact O-N 3.07Å; Q129-L132 VanDerWaalsContact O-N 3.12Å; L132-E134 VanDerWaalsContact C-N 3.31Å; L132-E134 PolarHBondContact O-N 3.31Å; L132-K135 WeakPolarHBondContact O-CB 3.37Å; L132-K135 PolarHBondContact O-N 3.19Å; L132-V136 WeakPolarHBondContact O-CG2 3.3Å; L132-V136 PolarHBondContact O-N 3.5Å |
| 133 | E | 93.4 | Very high | 89.4 | Confident | 114 Ų | 114 | 107.3 Ų | 107.3 | 53% | 0.533 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.1 | -42.5 | 175.3 | -71 | 169.1 | -170.7 | 0 | 0 | 111.4 | Q129 R130 V136 R137 | Q129-E133 PolarHBondContact NE2-OE1 2.97Å; Q129-E133 WeakPolarHBondContact O-CG 3.49Å; Q129-E133 PolarHBondContact O-N 3.17Å; R130-E133 PolarHBondContact O-N 3.24Å; E133-V136 PolarHBondContact O-N 3.36Å; E133-R137 WeakPolarHBondContact O-CB 3.33Å; E133-R137 PolarHBondContact O-N 3.41Å |
| 134 | E | 95.7 | Very high | 91.2 | Very high | 91 Ų | 91 | 102.8 Ų | 102.8 | 43% | 0.425 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.8 | -42.3 | 174.5 | 179.3 | 164.6 | -143.1 | 0 | 0 | 112.2 | R130 S131 L132 V136 R137 L138 | R130-E134 WeakPolarHBondContact O-CB 3.45Å; R130-E134 PolarHBondContact O-N 2.86Å; S131-E134 PolarHBondContact O-N 3.28Å; L132-E134 VanDerWaalsContact C-N 3.31Å; L132-E134 PolarHBondContact O-N 3.31Å; E134-V136 PolarHBondContact O-N 2.9Å; E134-R137 WeakPolarHBondContact O-CB 3.41Å; E134-R137 PolarHBondContact O-N 3.4Å; E134-R137 IonicContact OE1-NH2 3.14Å; E134-R137 PolarHBondContact OE1-NH2 2.96Å; E134-R137 VanDerWaalsContact OE1-NH2 3.14Å; E134-L138 HydrophobicContact CG-CD1 3.97Å; E134-L138 HydrophobicContact CG-CG 4.26Å; E134-L138 WeakPolarHBondContact O-CB 3.32Å; E134-L138 VanDerWaalsContact O-CG 3.31Å; E134-L138 WeakPolarHBondContact O-CG 3.19Å; E134-L138 PolarHBondContact O-N 3.22Å |
| 135 | K | 95.8 | Very high | 92.8 | Very high | 122 Ų | 122 | 107.7 Ų | 107.7 | 53% | 0.53 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.2 | -45.9 | 174.6 | -77.5 | 178.5 | -178.2 | -175.4 | 0 | 111.6 | S131 L132 R137 L138 V139 | S131-K135 VanDerWaalsContact O-CG 3.31Å; S131-K135 WeakPolarHBondContact O-CG 3.33Å; S131-K135 PolarHBondContact O-N 3.3Å; L132-K135 WeakPolarHBondContact O-CB 3.37Å; L132-K135 PolarHBondContact O-N 3.19Å; K135-R137 VanDerWaalsContact C-N 3.32Å; K135-R137 PolarHBondContact O-N 3.11Å; K135-L138 PolarHBondContact O-N 3.38Å; K135-V139 WeakPolarHBondContact O-CB 3.15Å; K135-V139 VanDerWaalsContact O-CG2 3.26Å; K135-V139 WeakPolarHBondContact O-CG2 3.29Å; K135-V139 PolarHBondContact O-N 3.28Å |
| 136 | V | 97.6 | Very high | 94.2 | Very high | 106 Ų | 106 | 108.3 Ų | 108.3 | 64% | 0.642 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.5 | -44.1 | 177 | 172 | 0 | 0 | 0 | 0 | 110.6 | L132 E133 E134 L138 V139 K140 | L132-V136 WeakPolarHBondContact O-CG2 3.3Å; L132-V136 PolarHBondContact O-N 3.5Å; E133-V136 PolarHBondContact O-N 3.36Å; E134-V136 PolarHBondContact O-N 2.9Å; V136-L138 PolarHBondContact O-N 2.7Å; V136-V139 PolarHBondContact O-N 3.2Å; V136-K140 PolarHBondContact O-N 2.88Å |
| 137 | R | 98.3 | Very high | 95.3 | Very high | 137 Ų | 137 | 104.1 Ų | 104.1 | 52% | 0.517 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.9 | -46.5 | 175.9 | -175.8 | -174 | 68 | 168.3 | -1.9 | 111.8 | E133 E134 K135 K140 Q141 | E133-R137 WeakPolarHBondContact O-CB 3.33Å; E133-R137 PolarHBondContact O-N 3.41Å; E134-R137 WeakPolarHBondContact O-CB 3.41Å; E134-R137 PolarHBondContact O-N 3.4Å; E134-R137 IonicContact OE1-NH2 3.14Å; E134-R137 PolarHBondContact OE1-NH2 2.96Å; E134-R137 VanDerWaalsContact OE1-NH2 3.14Å; K135-R137 VanDerWaalsContact C-N 3.32Å; K135-R137 PolarHBondContact O-N 3.11Å; R137-K140 PolarHBondContact O-N 3.35Å; R137-Q141 WeakPolarHBondContact O-CG 3.43Å; R137-Q141 PolarHBondContact O-N 3.5Å |
| 138 | L | 98 | Very high | 96.1 | Very high | 79 Ų | 79 | 104.8 Ų | 104.8 | 41% | 0.414 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.8 | -42.2 | 179.6 | -71.5 | 173.7 | 0 | 0 | 0 | 111.7 | E134 K135 V136 K140 Q141 V142 | E134-L138 HydrophobicContact CG-CD1 3.97Å; E134-L138 HydrophobicContact CG-CG 4.26Å; E134-L138 WeakPolarHBondContact O-CB 3.32Å; E134-L138 VanDerWaalsContact O-CG 3.31Å; E134-L138 WeakPolarHBondContact O-CG 3.19Å; E134-L138 PolarHBondContact O-N 3.22Å; K135-L138 PolarHBondContact O-N 3.38Å; V136-L138 PolarHBondContact O-N 2.7Å; L138-K140 VanDerWaalsContact C-N 3.31Å; L138-K140 PolarHBondContact O-N 3.08Å; L138-Q141 PolarHBondContact O-N 2.91Å; L138-V142 WeakPolarHBondContact O-CG2 3.31Å; L138-V142 PolarHBondContact O-N 2.76Å |
| 139 | V | 98.1 | Very high | 96.7 | Very high | 102 Ų | 102 | 103.6 Ų | 103.6 | 62% | 0.618 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59.3 | -44.3 | 175.3 | 168.2 | 0 | 0 | 0 | 0 | 110.7 | K135 V136 Q141 V142 Q143 | K135-V139 WeakPolarHBondContact O-CB 3.15Å; K135-V139 VanDerWaalsContact O-CG2 3.26Å; K135-V139 WeakPolarHBondContact O-CG2 3.29Å; K135-V139 PolarHBondContact O-N 3.28Å; V136-V139 PolarHBondContact O-N 3.2Å; V139-Q141 PolarHBondContact O-N 3.25Å; V139-V142 PolarHBondContact O-N 2.89Å; V139-Q143 WeakPolarHBondContact O-CB 3.43Å; V139-Q143 PolarHBondContact O-N 3.47Å |
| 140 | K | 98.4 | Very high | 97 | Very high | 134 Ų | 134 | 104.7 Ų | 104.7 | 58% | 0.583 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.8 | -45.1 | 175.9 | -174.2 | 178.3 | 176.5 | -177.6 | 0 | 111.7 | V136 R137 L138 V142 Q143 E144 | V136-K140 PolarHBondContact O-N 2.88Å; R137-K140 PolarHBondContact O-N 3.35Å; L138-K140 VanDerWaalsContact C-N 3.31Å; L138-K140 PolarHBondContact O-N 3.08Å; K140-V142 PolarHBondContact O-N 3.48Å; K140-Q143 PolarHBondContact O-N 3.22Å; K140-E144 WeakPolarHBondContact CE-OE1 3.14Å; K140-E144 WeakPolarHBondContact O-CG 3.45Å; K140-E144 PolarHBondContact O-N 2.88Å |
| 141 | Q | 98.4 | Very high | 97.4 | Very high | 94 Ų | 94 | 103.2 Ų | 103.2 | 44% | 0.439 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.7 | -41.9 | 177.1 | -74.7 | -179.5 | -11.5 | 0 | 0 | 112.4 | R137 L138 V139 E144 K145 | R137-Q141 WeakPolarHBondContact O-CG 3.43Å; R137-Q141 PolarHBondContact O-N 3.5Å; L138-Q141 PolarHBondContact O-N 2.91Å; V139-Q141 PolarHBondContact O-N 3.25Å; Q141-E144 PolarHBondContact O-N 3.38Å; Q141-K145 WeakPolarHBondContact O-CB 3.3Å; Q141-K145 WeakPolarHBondContact O-CG 3.41Å; Q141-K145 PolarHBondContact O-N 3.42Å |
| 142 | V | 98.4 | Very high | 97.7 | Very high | 77 Ų | 77 | 105.7 Ų | 105.7 | 47% | 0.467 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.2 | -49 | 175.8 | 169.1 | 0 | 0 | 0 | 0 | 109.9 | L138 V139 K140 E144 K145 E146 | L138-V142 WeakPolarHBondContact O-CG2 3.31Å; L138-V142 PolarHBondContact O-N 2.76Å; V139-V142 PolarHBondContact O-N 2.89Å; K140-V142 PolarHBondContact O-N 3.48Å; V142-E144 VanDerWaalsContact C-N 3.35Å; V142-E144 PolarHBondContact O-N 2.84Å; V142-K145 PolarHBondContact O-N 2.88Å; V142-K145 VanDerWaalsContact O-N 3.16Å; V142-E146 HydrophobicContact CG1-CG 4.19Å; V142-E146 WeakPolarHBondContact CG1-OE1 3.37Å; V142-E146 WeakPolarHBondContact O-CB 3.35Å; V142-E146 WeakPolarHBondContact O-CG 3.31Å; V142-E146 PolarHBondContact O-N 2.88Å |
| 143 | Q | 98.6 | Very high | 97.9 | Very high | 100 Ų | 100 | 108 Ų | 108 | 47% | 0.467 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -56.6 | -47.5 | 178.1 | -176.1 | 61.1 | 48.3 | 0 | 0 | 112 | V139 K140 K145 E146 D147 | V139-Q143 WeakPolarHBondContact O-CB 3.43Å; V139-Q143 PolarHBondContact O-N 3.47Å; K140-Q143 PolarHBondContact O-N 3.22Å; Q143-K145 VanDerWaalsContact C-N 3.34Å; Q143-K145 PolarHBondContact O-N 3.34Å; Q143-E146 PolarHBondContact O-N 3.25Å; Q143-D147 PolarHBondContact NE2-OD2 3.41Å; Q143-D147 WeakPolarHBondContact O-CB 3.49Å; Q143-D147 PolarHBondContact O-N 2.86Å |
| 144 | E | 98.6 | Very high | 98 | Very high | 105 Ų | 105 | 106.3 Ų | 106.3 | 49% | 0.491 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.9 | -41 | 178.2 | -72.3 | 170.8 | -177 | 0 | 0 | 112.3 | K140 Q141 V142 L148 | K140-E144 WeakPolarHBondContact CE-OE1 3.14Å; K140-E144 WeakPolarHBondContact O-CG 3.45Å; K140-E144 PolarHBondContact O-N 2.88Å; Q141-E144 PolarHBondContact O-N 3.38Å; V142-E144 VanDerWaalsContact C-N 3.35Å; V142-E144 PolarHBondContact O-N 2.84Å; E144-L148 WeakPolarHBondContact O-CB 3.22Å; E144-L148 PolarHBondContact O-N 3.43Å |
| 145 | K | 98.6 | Very high | 98.1 | Very high | 150 Ų | 150 | 105 Ų | 105 | 65% | 0.652 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -69.6 | -39.2 | 178.3 | -68.1 | -72.4 | 179.5 | 174.7 | 0 | 111.9 | Q141 V142 Q143 L148 L149 | Q141-K145 WeakPolarHBondContact O-CB 3.3Å; Q141-K145 WeakPolarHBondContact O-CG 3.41Å; Q141-K145 PolarHBondContact O-N 3.42Å; V142-K145 PolarHBondContact O-N 2.88Å; V142-K145 VanDerWaalsContact O-N 3.16Å; Q143-K145 VanDerWaalsContact C-N 3.34Å; Q143-K145 PolarHBondContact O-N 3.34Å; K145-L148 PolarHBondContact O-N 2.9Å; K145-L149 VanDerWaalsContact O-CB 3.24Å; K145-L149 WeakPolarHBondContact O-CB 3.5Å; K145-L149 PolarHBondContact O-N 2.83Å |
| 146 | E | 98.6 | Very high | 98.1 | Very high | 111 Ų | 111 | 107.1 Ų | 107.1 | 52% | 0.519 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.9 | -42 | 175.1 | -74.2 | 179.9 | 169.3 | 0 | 0 | 111.5 | V142 Q143 L149 R150 | V142-E146 HydrophobicContact CG1-CG 4.19Å; V142-E146 WeakPolarHBondContact CG1-OE1 3.37Å; V142-E146 WeakPolarHBondContact O-CB 3.35Å; V142-E146 WeakPolarHBondContact O-CG 3.31Å; V142-E146 PolarHBondContact O-N 2.88Å; Q143-E146 PolarHBondContact O-N 3.25Å; E146-L149 PolarHBondContact O-N 2.75Å; E146-R150 WeakPolarHBondContact O-CB 3.48Å; E146-R150 PolarHBondContact O-N 3.24Å |
| 147 | D | 98.6 | Very high | 97.9 | Very high | 52 Ų | 52 | 104.9 Ų | 104.9 | 28% | 0.278 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.2 | -42.2 | 175.8 | -87.6 | -45 | 0 | 0 | 0 | 112.6 | Q143 L149 R150 R151 | Q143-D147 PolarHBondContact NE2-OD2 3.41Å; Q143-D147 WeakPolarHBondContact O-CB 3.49Å; Q143-D147 PolarHBondContact O-N 2.86Å; D147-L149 VanDerWaalsContact C-N 3.33Å; D147-R150 PolarHBondContact O-N 3Å; D147-R150 IonicContact OD1-CZ 3.7Å; D147-R150 IonicContact OD1-NE 3.08Å; D147-R150 PolarHBondContact OD1-NE 3.33Å; D147-R150 IonicContact OD1-NH2 3.44Å; D147-R150 PolarHBondContact OD1-NH2 3.02Å; D147-R151 WeakPolarHBondContact O-CG 3.31Å; D147-R151 PolarHBondContact O-N 3.19Å |
| 148 | L | 98.6 | Very high | 97.7 | Very high | 88 Ų | 88 | 104.2 Ų | 104.2 | 46% | 0.461 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.8 | -46.1 | 172.5 | 179.1 | 60.5 | 0 | 0 | 0 | 110.6 | E144 K145 R150 R151 L152 | E144-L148 WeakPolarHBondContact O-CB 3.22Å; E144-L148 PolarHBondContact O-N 3.43Å; K145-L148 PolarHBondContact O-N 2.9Å; L148-R150 VanDerWaalsContact C-N 3.31Å; L148-R150 PolarHBondContact O-N 2.98Å; L148-R151 PolarHBondContact O-N 3.49Å; L148-L152 HydrophobicContact CD1-CD1 4.17Å; L148-L152 HydrophobicContact CD1-CG 4.14Å; L148-L152 HydrophobicContact CG-CD1 3.95Å; L148-L152 HydrophobicContact CG-CG 4.34Å; L148-L152 WeakPolarHBondContact O-CB 3.36Å; L148-L152 VanDerWaalsContact O-CG 3.29Å; L148-L152 WeakPolarHBondContact O-CG 3.27Å; L148-L152 PolarHBondContact O-N 3.27Å |
| 149 | L | 98.5 | Very high | 97.4 | Very high | 87 Ų | 87 | 109.8 Ų | 109.8 | 46% | 0.455 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.1 | -42.2 | 178.3 | -179.8 | 62.6 | 0 | 0 | 0 | 111.4 | K145 E146 D147 L152 K153 | K145-L149 VanDerWaalsContact O-CB 3.24Å; K145-L149 WeakPolarHBondContact O-CB 3.5Å; K145-L149 PolarHBondContact O-N 2.83Å; E146-L149 PolarHBondContact O-N 2.75Å; D147-L149 VanDerWaalsContact C-N 3.33Å; L149-L152 PolarHBondContact O-N 3.03Å; L149-K153 HydrophobicContact CD1-CG 4.39Å; L149-K153 HydrophobicContact CG-CD 4.24Å; L149-K153 WeakPolarHBondContact O-CB 3.41Å; L149-K153 VanDerWaalsContact O-CG 3.29Å; L149-K153 WeakPolarHBondContact O-CG 3.45Å; L149-K153 PolarHBondContact O-N 3.42Å |
| 150 | R | 98.6 | Very high | 96.8 | Very high | 131 Ų | 131 | 108.6 Ų | 108.6 | 49% | 0.494 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61 | -45.6 | 175.6 | -178.5 | -177 | 53.6 | 72.4 | 1.7 | 111.5 | E146 D147 L148 K153 L154 | E146-R150 WeakPolarHBondContact O-CB 3.48Å; E146-R150 PolarHBondContact O-N 3.24Å; D147-R150 PolarHBondContact O-N 3Å; D147-R150 IonicContact OD1-CZ 3.7Å; D147-R150 IonicContact OD1-NE 3.08Å; D147-R150 PolarHBondContact OD1-NE 3.33Å; D147-R150 IonicContact OD1-NH2 3.44Å; D147-R150 PolarHBondContact OD1-NH2 3.02Å; L148-R150 VanDerWaalsContact C-N 3.31Å; L148-R150 PolarHBondContact O-N 2.98Å; R150-K153 PolarHBondContact O-N 3.02Å; R150-L154 PolarHBondContact O-N 3.48Å |
| 151 | R | 98.4 | Very high | 96.3 | Very high | 158 Ų | 158 | 109.2 Ų | 109.2 | 60% | 0.596 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.7 | -44.2 | 175.7 | -68.9 | 169.9 | -173.5 | -106.2 | 4 | 111.5 | D147 L148 L154 V155 | D147-R151 WeakPolarHBondContact O-CG 3.31Å; D147-R151 PolarHBondContact O-N 3.19Å; L148-R151 PolarHBondContact O-N 3.49Å; R151-L154 WeakPolarHBondContact O-CB 3.49Å; R151-L154 PolarHBondContact O-N 3.29Å; R151-V155 WeakPolarHBondContact O-CG2 3.31Å; R151-V155 PolarHBondContact O-N 3.4Å |
| 152 | L | 98.3 | Very high | 95.9 | Very high | 98 Ų | 98 | 108 Ų | 108 | 51% | 0.513 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.4 | -40.1 | 178.6 | -69.1 | 175.3 | 0 | 0 | 0 | 112.3 | L148 L149 L154 V155 K156 | L148-L152 HydrophobicContact CD1-CD1 4.17Å; L148-L152 HydrophobicContact CD1-CG 4.14Å; L148-L152 HydrophobicContact CG-CD1 3.95Å; L148-L152 HydrophobicContact CG-CG 4.34Å; L148-L152 WeakPolarHBondContact O-CB 3.36Å; L148-L152 VanDerWaalsContact O-CG 3.29Å; L148-L152 WeakPolarHBondContact O-CG 3.27Å; L148-L152 PolarHBondContact O-N 3.27Å; L149-L152 PolarHBondContact O-N 3.03Å; L152-L154 VanDerWaalsContact C-N 3.29Å; L152-L154 PolarHBondContact O-N 3.12Å; L152-V155 PolarHBondContact O-N 3.03Å; L152-K156 WeakPolarHBondContact O-CB 3.34Å; L152-K156 PolarHBondContact O-N 2.98Å |
| 153 | K | 97.5 | Very high | 95.4 | Very high | 132 Ų | 132 | 107.8 Ų | 107.8 | 57% | 0.574 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -59.3 | -41.7 | 172.7 | -78.2 | 175.6 | 177.1 | 177.5 | 0 | 111.2 | L149 R150 K156 M157 | L149-K153 HydrophobicContact CD1-CG 4.39Å; L149-K153 HydrophobicContact CG-CD 4.24Å; L149-K153 WeakPolarHBondContact O-CB 3.41Å; L149-K153 VanDerWaalsContact O-CG 3.29Å; L149-K153 WeakPolarHBondContact O-CG 3.45Å; L149-K153 PolarHBondContact O-N 3.42Å; R150-K153 PolarHBondContact O-N 3.02Å; K153-K156 PolarHBondContact O-N 3.47Å; K153-M157 VanDerWaalsContact O-CB 3.23Å; K153-M157 WeakPolarHBondContact O-CB 3.23Å; K153-M157 PolarHBondContact O-N 3.15Å |
| 154 | L | 97.4 | Very high | 95 | Very high | 79 Ų | 79 | 109.2 Ų | 109.2 | 41% | 0.414 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.1 | -48.1 | 176.1 | -168.8 | 77.5 | 0 | 0 | 0 | 111.4 | R150 R151 L152 K156 M157 Y158 | R150-L154 PolarHBondContact O-N 3.48Å; R151-L154 WeakPolarHBondContact O-CB 3.49Å; R151-L154 PolarHBondContact O-N 3.29Å; L152-L154 VanDerWaalsContact C-N 3.29Å; L152-L154 PolarHBondContact O-N 3.12Å; L154-K156 PolarHBondContact O-N 3.08Å; L154-M157 HydrophobicContact CD1-CE 3.51Å; L154-M157 HydrophobicContact CG-CE 4.44Å; L154-M157 PolarHBondContact O-N 2.99Å; L154-Y158 HydrophobicContact CD1-CD2 4.16Å; L154-Y158 HydrophobicContact CD1-CE2 3.56Å; L154-Y158 HydrophobicContact CD2-CD2 4.41Å; L154-Y158 HydrophobicContact CD2-CE2 3.94Å; L154-Y158 HydrophobicContact CG-CD2 3.73Å; L154-Y158 HydrophobicContact CG-CE2 3.48Å; L154-Y158 VanDerWaalsContact CG-CE2 3.48Å; L154-Y158 VanDerWaalsContact O-CD2 3.27Å; L154-Y158 WeakPolarHBondContact O-CD2 3.44Å; L154-Y158 PolarHBondContact O-N 3.11Å |
| 155 | V | 96.4 | Very high | 94.7 | Very high | 63 Ų | 63 | 108.9 Ų | 108.9 | 38% | 0.382 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60 | -46.6 | 176.9 | 172.1 | 0 | 0 | 0 | 0 | 111.1 | R151 L152 M157 Y158 R159 | R151-V155 WeakPolarHBondContact O-CG2 3.31Å; R151-V155 PolarHBondContact O-N 3.4Å; L152-V155 PolarHBondContact O-N 3.03Å; V155-M157 VanDerWaalsContact C-N 3.33Å; V155-M157 PolarHBondContact O-N 2.95Å; V155-Y158 PolarHBondContact O-N 3.33Å; V155-R159 HydrophobicContact CG1-CG 4.48Å; V155-R159 WeakPolarHBondContact O-CG 3.38Å; V155-R159 PolarHBondContact O-N 3.4Å |
| 156 | K | 95.8 | Very high | 94.4 | Very high | 166 Ų | 166 | 107 Ų | 107 | 72% | 0.722 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -58.9 | -46.9 | 177 | -176.1 | 176.7 | 179.2 | 176.7 | 0 | 111 | L152 K153 L154 Y158 R159 S160 | L152-K156 WeakPolarHBondContact O-CB 3.34Å; L152-K156 PolarHBondContact O-N 2.98Å; K153-K156 PolarHBondContact O-N 3.47Å; L154-K156 PolarHBondContact O-N 3.08Å; K156-Y158 PolarHBondContact O-N 3.13Å; K156-R159 PolarHBondContact O-N 3Å; K156-S160 PolarHBondContact O-N 3.3Å; K156-S160 PolarHBondContact O-OG 2.88Å |
| 157 | M | 94.5 | Very high | 94.2 | Very high | 60 Ų | 60 | 105.1 Ų | 105.1 | 30% | 0.296 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.2 | -41.8 | 179.7 | -175.1 | -104.1 | -50.4 | 0 | 0 | 112 | K153 L154 V155 S160 K161 | K153-M157 VanDerWaalsContact O-CB 3.23Å; K153-M157 WeakPolarHBondContact O-CB 3.23Å; K153-M157 PolarHBondContact O-N 3.15Å; L154-M157 HydrophobicContact CD1-CE 3.51Å; L154-M157 HydrophobicContact CG-CE 4.44Å; L154-M157 PolarHBondContact O-N 2.99Å; V155-M157 VanDerWaalsContact C-N 3.33Å; V155-M157 PolarHBondContact O-N 2.95Å; M157-S160 WeakPolarHBondContact CA-OG 3.32Å; M157-S160 PolarHBondContact O-N 2.93Å; M157-S160 PolarHBondContact O-OG 3.47Å; M157-K161 HydrophobicContact CG-CD 4.09Å; M157-K161 WeakPolarHBondContact O-CB 3.29Å; M157-K161 VanDerWaalsContact O-CG 3.31Å; M157-K161 WeakPolarHBondContact O-CG 3.48Å; M157-K161 PolarHBondContact O-N 2.96Å; M157-K161 HydrophobicContact SD-CD 3.61Å; M157-K161 PolarHBondContact SD-NZ 3.34Å |
| 158 | Y | 94.2 | Very high | 94 | Very high | 123 Ų | 123 | 107.9 Ų | 107.9 | 48% | 0.482 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -71.4 | -33.6 | 176.1 | -77.8 | -56.3 | 0 | 0 | 0 | 113.6 | L154 V155 K156 S160 K161 N162 | L154-Y158 HydrophobicContact CD1-CD2 4.16Å; L154-Y158 HydrophobicContact CD1-CE2 3.56Å; L154-Y158 HydrophobicContact CD2-CD2 4.41Å; L154-Y158 HydrophobicContact CD2-CE2 3.94Å; L154-Y158 HydrophobicContact CG-CD2 3.73Å; L154-Y158 HydrophobicContact CG-CE2 3.48Å; L154-Y158 VanDerWaalsContact CG-CE2 3.48Å; L154-Y158 VanDerWaalsContact O-CD2 3.27Å; L154-Y158 WeakPolarHBondContact O-CD2 3.44Å; L154-Y158 PolarHBondContact O-N 3.11Å; V155-Y158 PolarHBondContact O-N 3.33Å; K156-Y158 PolarHBondContact O-N 3.13Å; Y158-S160 VanDerWaalsContact C-N 3.32Å; Y158-K161 PolarHBondContact O-N 3.27Å; Y158-N162 VanDerWaalsContact CD1-ND2 3.27Å; Y158-N162 WeakPolarHBondContact CD1-ND2 3.36Å; Y158-N162 VanDerWaalsContact O-CB 3.31Å; Y158-N162 WeakPolarHBondContact O-CB 3.27Å; Y158-N162 PolarHBondContact O-N 3.2Å; Y158-N162 PolarHBondContact O-ND2 2.89Å |
| 159 | R | 90.1 | Very high | 93.8 | Very high | 195 Ų | 195 | 106.6 Ų | 106.6 | 74% | 0.736 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.4 | -36.9 | 172.5 | -73.5 | 179.4 | -177.9 | 162.9 | 0.9 | 112.2 | V155 K156 | V155-R159 HydrophobicContact CG1-CG 4.48Å; V155-R159 WeakPolarHBondContact O-CG 3.38Å; V155-R159 PolarHBondContact O-N 3.4Å; K156-R159 PolarHBondContact O-N 3Å |
| 160 | S | 87.3 | Confident | 93.7 | Very high | 77 Ų | 77 | 106 Ų | 106 | 54% | 0.538 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -76.8 | -29.9 | 177 | 55.4 | 0 | 0 | 0 | 0 | 113.9 | K156 M157 Y158 | K156-S160 PolarHBondContact O-N 3.3Å; K156-S160 PolarHBondContact O-OG 2.88Å; M157-S160 WeakPolarHBondContact CA-OG 3.32Å; M157-S160 PolarHBondContact O-N 2.93Å; M157-S160 PolarHBondContact O-OG 3.47Å; Y158-S160 VanDerWaalsContact C-N 3.32Å |
| 161 | K | 87.6 | Confident | 93.5 | Very high | 147 Ų | 147 | 103 Ų | 103 | 64% | 0.639 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -91.7 | -30.4 | -176.9 | -72.4 | -174.4 | -179.3 | -178.9 | 0 | 113.6 | M157 Y158 | M157-K161 HydrophobicContact CG-CD 4.09Å; M157-K161 WeakPolarHBondContact O-CB 3.29Å; M157-K161 VanDerWaalsContact O-CG 3.31Å; M157-K161 WeakPolarHBondContact O-CG 3.48Å; M157-K161 PolarHBondContact O-N 2.96Å; M157-K161 HydrophobicContact SD-CD 3.61Å; M157-K161 PolarHBondContact SD-NZ 3.34Å; Y158-K161 PolarHBondContact O-N 3.27Å |
| 162 | N | 88.7 | Confident | 93.4 | Very high | 69 Ų | 69 | 98.6 Ų | 98.6 | 37% | 0.369 | 50% | 0.498 | S | S | . | . | trans | -105.5 | 83.2 | -179.8 | -61.7 | -64.6 | 0 | 0 | 0 | 109.4 | Y158 L164 L167 | Y158-N162 VanDerWaalsContact CD1-ND2 3.27Å; Y158-N162 WeakPolarHBondContact CD1-ND2 3.36Å; Y158-N162 VanDerWaalsContact O-CB 3.31Å; Y158-N162 WeakPolarHBondContact O-CB 3.27Å; Y158-N162 PolarHBondContact O-N 3.2Å; Y158-N162 PolarHBondContact O-ND2 2.89Å; N162-L164 PolarHBondContact O-N 3.16Å; N162-L167 HydrophobicContact CB-CD1 4.1Å | ||
| 163 | N | 89.1 | Confident | 93.3 | Very high | 73 Ų | 73 | 101 Ų | 101 | 39% | 0.39 | 50% | 0.504 | S | S | . | . | trans | -66.1 | 99.7 | 165.4 | -65.1 | -37 | 0 | 0 | 0 | 107.8 | S165 E166 L167 | N163-S165 PolarHBondContact O-N 3.27Å; N163-E166 HydrophobicContact CB-CB 3.65Å; N163-E166 PolarHBondContact ND2-OE2 2.82Å; N163-E166 PolarHBondContact O-N 3.45Å; N163-E166 VanDerWaalsContact O-N 3.15Å; N163-L167 WeakPolarHBondContact O-CG 3.16Å; N163-L167 PolarHBondContact O-N 3.49Å | ||
| 164 | L | 89.6 | Confident | 93.3 | Very high | 130 Ų | 130 | 103 Ų | 103 | 68% | 0.681 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -57.8 | -37.4 | -177.9 | -67.8 | 178.1 | 0 | 0 | 0 | 111.7 | N162 Q168 | N162-L164 PolarHBondContact O-N 3.16Å; L164-Q168 WeakPolarHBondContact O-CB 3.42Å; L164-Q168 WeakPolarHBondContact O-CG 3.4Å; L164-Q168 PolarHBondContact O-N 2.86Å |
| 165 | S | 91.7 | Very high | 93.3 | Very high | 97 Ų | 97 | 100.7 Ų | 100.7 | 68% | 0.678 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63 | -45.2 | 176.3 | 50.9 | 0 | 0 | 0 | 0 | 112.7 | N163 Q168 A169 | N163-S165 PolarHBondContact O-N 3.27Å; S165-Q168 PolarHBondContact O-N 3.48Å; S165-A169 WeakPolarHBondContact O-CB 3.43Å; S165-A169 PolarHBondContact O-N 2.9Å |
| 166 | E | 93 | Very high | 93.3 | Very high | 110 Ų | 110 | 100.5 Ų | 100.5 | 51% | 0.514 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.9 | -43.9 | 178.4 | -171.9 | -176.6 | 173.2 | 0 | 0 | 111.3 | N163 Q168 A169 L170 | N163-E166 HydrophobicContact CB-CB 3.65Å; N163-E166 PolarHBondContact ND2-OE2 2.82Å; N163-E166 PolarHBondContact O-N 3.45Å; N163-E166 VanDerWaalsContact O-N 3.15Å; E166-Q168 VanDerWaalsContact C-N 3.34Å; E166-Q168 PolarHBondContact O-N 3.44Å; E166-A169 PolarHBondContact O-N 3.44Å; E166-L170 WeakPolarHBondContact O-CG 3.45Å; E166-L170 PolarHBondContact O-N 2.84Å |
| 167 | L | 93.9 | Very high | 93.3 | Very high | 72 Ų | 72 | 95.8 Ų | 95.8 | 38% | 0.377 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.5 | -43.4 | 175 | -70.2 | 175.3 | 0 | 0 | 0 | 111.3 | N162 N163 L170 I171 | N162-L167 HydrophobicContact CB-CD1 4.1Å; N163-L167 WeakPolarHBondContact O-CG 3.16Å; N163-L167 PolarHBondContact O-N 3.49Å; L167-L170 PolarHBondContact O-N 3.41Å; L167-I171 WeakPolarHBondContact O-CB 3.24Å; L167-I171 WeakPolarHBondContact O-CD1 3.39Å; L167-I171 WeakPolarHBondContact O-CG1 3.29Å; L167-I171 PolarHBondContact O-N 2.9Å |
| 168 | Q | 94.1 | Very high | 93.4 | Very high | 111 Ų | 111 | 94.7 Ų | 94.7 | 52% | 0.519 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.9 | -43 | 174.7 | -72.9 | -64.9 | -17.8 | 0 | 0 | 111.7 | L164 S165 E166 L170 I171 V172 | L164-Q168 WeakPolarHBondContact O-CB 3.42Å; L164-Q168 WeakPolarHBondContact O-CG 3.4Å; L164-Q168 PolarHBondContact O-N 2.86Å; S165-Q168 PolarHBondContact O-N 3.48Å; E166-Q168 VanDerWaalsContact C-N 3.34Å; E166-Q168 PolarHBondContact O-N 3.44Å; Q168-L170 VanDerWaalsContact C-N 3.32Å; Q168-L170 PolarHBondContact O-N 3.29Å; Q168-I171 PolarHBondContact O-N 2.99Å; Q168-V172 WeakPolarHBondContact O-CG2 3.36Å; Q168-V172 PolarHBondContact O-N 3.2Å |
| 169 | A | 94.9 | Very high | 93.5 | Very high | 61 Ų | 61 | 90 Ų | 90 | 50% | 0.504 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.3 | -40.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | S165 E166 V172 K173 | S165-A169 WeakPolarHBondContact O-CB 3.43Å; S165-A169 PolarHBondContact O-N 2.9Å; E166-A169 PolarHBondContact O-N 3.44Å; A169-V172 PolarHBondContact O-N 3.03Å; A169-K173 WeakPolarHBondContact O-CB 3.35Å; A169-K173 PolarHBondContact O-N 3.24Å |
| 170 | L | 96.3 | Very high | 93.7 | Very high | 73 Ų | 73 | 85.5 Ų | 85.5 | 38% | 0.382 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.3 | -44.2 | 174.2 | -74.2 | 170.9 | 0 | 0 | 0 | 111.7 | E166 L167 Q168 V172 K173 W174 | E166-L170 WeakPolarHBondContact O-CG 3.45Å; E166-L170 PolarHBondContact O-N 2.84Å; L167-L170 PolarHBondContact O-N 3.41Å; Q168-L170 VanDerWaalsContact C-N 3.32Å; Q168-L170 PolarHBondContact O-N 3.29Å; L170-V172 VanDerWaalsContact C-N 3.34Å; L170-V172 PolarHBondContact O-N 3.39Å; L170-K173 PolarHBondContact O-N 3.3Å; L170-W174 WeakPolarHBondContact O-CB 3.32Å; L170-W174 PolarHBondContact O-N 3.3Å |
| 171 | I | 95.4 | Very high | 94.2 | Very high | 69 Ų | 69 | 85.5 Ų | 85.5 | 35% | 0.354 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -57.4 | -49.4 | 176.1 | -72 | 163.3 | 0 | 0 | 0 | 110.2 | L167 Q168 K173 W174 R175 | L167-I171 WeakPolarHBondContact O-CB 3.24Å; L167-I171 WeakPolarHBondContact O-CD1 3.39Å; L167-I171 WeakPolarHBondContact O-CG1 3.29Å; L167-I171 PolarHBondContact O-N 2.9Å; Q168-I171 PolarHBondContact O-N 2.99Å; I171-K173 PolarHBondContact O-N 3.46Å; I171-W174 PolarHBondContact O-N 2.85Å; I171-R175 WeakPolarHBondContact O-CB 3.1Å; I171-R175 PolarHBondContact O-N 2.94Å |
| 172 | V | 95.5 | Very high | 94.5 | Very high | 65 Ų | 65 | 78.5 Ų | 78.5 | 39% | 0.394 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -60.1 | -47.7 | 177.5 | 172.2 | 0 | 0 | 0 | 0 | 110.5 | Q168 A169 L170 W174 R175 S176 | Q168-V172 WeakPolarHBondContact O-CG2 3.36Å; Q168-V172 PolarHBondContact O-N 3.2Å; A169-V172 PolarHBondContact O-N 3.03Å; L170-V172 VanDerWaalsContact C-N 3.34Å; L170-V172 PolarHBondContact O-N 3.39Å; V172-W174 PolarHBondContact O-N 3.48Å; V172-R175 PolarHBondContact O-N 2.93Å; V172-S176 WeakPolarHBondContact O-CB 3.49Å; V172-S176 PolarHBondContact O-N 2.86Å; V172-S176 PolarHBondContact O-OG 3.01Å; V172-S176 VanDerWaalsContact O-OG 3.05Å |
| 173 | K | 96.8 | Very high | 94.8 | Very high | 149 Ų | 149 | 78.9 Ų | 78.9 | 65% | 0.648 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -58.5 | -47.7 | 179.6 | -176.4 | 179.5 | 179.2 | 179.7 | 0 | 112.6 | A169 L170 I171 S177 | A169-K173 WeakPolarHBondContact O-CB 3.35Å; A169-K173 PolarHBondContact O-N 3.24Å; L170-K173 PolarHBondContact O-N 3.3Å; I171-K173 PolarHBondContact O-N 3.46Å; K173-S177 WeakPolarHBondContact O-CB 3.49Å; K173-S177 PolarHBondContact O-N 3.35Å |
| 174 | W | 97.6 | Very high | 95.1 | Very high | 173 Ų | 173 | 81 Ų | 81 | 66% | 0.655 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -68.4 | -38 | 179.1 | -76.2 | 113.6 | 0 | 0 | 0 | 111.9 | L170 I171 V172 T178 | L170-W174 WeakPolarHBondContact O-CB 3.32Å; L170-W174 PolarHBondContact O-N 3.3Å; I171-W174 PolarHBondContact O-N 2.85Å; V172-W174 PolarHBondContact O-N 3.48Å; W174-T178 WeakPolarHBondContact O-CB 3.44Å; W174-T178 PolarHBondContact O-N 3.36Å; W174-T178 PolarHBondContact O-OG1 3.43Å |
| 175 | R | 96.7 | Very high | 95.3 | Very high | 32 Ų | 32 | 77.2 Ų | 77.2 | 12% | 0.121 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -60.1 | -56.2 | 173.7 | -173.8 | -172.4 | -63 | 130.3 | -2.9 | 110.7 | I171 V172 S177 T178 Q179 L211 H213 | I171-R175 WeakPolarHBondContact O-CB 3.1Å; I171-R175 PolarHBondContact O-N 2.94Å; V172-R175 PolarHBondContact O-N 2.93Å; R175-S177 VanDerWaalsContact C-N 3.3Å; R175-S177 PolarHBondContact O-N 3.27Å; R175-T178 PolarHBondContact O-N 2.97Å; R175-Q179 HydrophobicContact CG-CG 4.29Å; R175-Q179 VanDerWaalsContact O-CG 3.29Å; R175-Q179 WeakPolarHBondContact O-CG 3.31Å; R175-Q179 PolarHBondContact O-N 3.4Å; R175-L211 PolarHBondContact NE-O 2.85Å; R175-H213 PolarHBondContact NH1-CE1 3.48Å |
| 176 | S | 95.7 | Very high | 95.4 | Very high | 59 Ų | 59 | 75 Ų | 75 | 41% | 0.413 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -59.4 | -40.2 | -179.8 | -56.7 | 0 | 0 | 0 | 0 | 112.4 | V172 T178 Q179 L180 | V172-S176 WeakPolarHBondContact O-CB 3.49Å; V172-S176 PolarHBondContact O-N 2.86Å; V172-S176 PolarHBondContact O-OG 3.01Å; V172-S176 VanDerWaalsContact O-OG 3.05Å; S176-T178 VanDerWaalsContact C-N 3.31Å; S176-T178 PolarHBondContact O-N 3.35Å; S176-Q179 PolarHBondContact O-N 2.78Å; S176-L180 WeakPolarHBondContact O-CB 3.47Å; S176-L180 PolarHBondContact O-N 2.84Å |
| 177 | S | 96.8 | Very high | 95.3 | Very high | 66 Ų | 66 | 73.5 Ų | 73.5 | 46% | 0.462 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.2 | -38.3 | 175.3 | -173.7 | 0 | 0 | 0 | 0 | 112.4 | K173 R175 M181 | K173-S177 WeakPolarHBondContact O-CB 3.49Å; K173-S177 PolarHBondContact O-N 3.35Å; R175-S177 VanDerWaalsContact C-N 3.3Å; R175-S177 PolarHBondContact O-N 3.27Å; S177-M181 WeakPolarHBondContact O-CB 3.45Å; S177-M181 PolarHBondContact O-N 3.2Å; S177-M181 VanDerWaalsContact O-N 3.11Å |
| 178 | T | 96.2 | Very high | 95.2 | Very high | 38 Ų | 38 | 72.9 Ų | 72.9 | 23% | 0.233 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -72.3 | -44.3 | 179 | -54.2 | 0 | 0 | 0 | 0 | 110.7 | W174 R175 S176 L180 M181 L182 L207 L212 | W174-T178 WeakPolarHBondContact O-CB 3.44Å; W174-T178 PolarHBondContact O-N 3.36Å; W174-T178 PolarHBondContact O-OG1 3.43Å; R175-T178 PolarHBondContact O-N 2.97Å; S176-T178 VanDerWaalsContact C-N 3.31Å; S176-T178 PolarHBondContact O-N 3.35Å; T178-L180 VanDerWaalsContact C-N 3.34Å; T178-L180 PolarHBondContact O-N 3.38Å; T178-M181 HydrophobicContact CG2-CE 4.29Å; T178-M181 PolarHBondContact O-N 3Å; T178-L182 HydrophobicContact CG2-CD1 4.28Å; T178-L182 VanDerWaalsContact O-CG 3.31Å; T178-L182 WeakPolarHBondContact O-CG 3.47Å; T178-L182 PolarHBondContact O-N 2.87Å; T178-L207 HydrophobicContact CG2-CD1 4.38Å; T178-L212 HydrophobicContact CG2-CD2 3.89Å |
| 179 | Q | 95.9 | Very high | 95 | Very high | 23 Ų | 23 | 71.3 Ų | 71.3 | 11% | 0.107 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -56.1 | -47.8 | 174.9 | -70.4 | 170.9 | -30.2 | 0 | 0 | 111.2 | R175 S176 M181 L182 Y183 L212 F221 | R175-Q179 HydrophobicContact CG-CG 4.29Å; R175-Q179 VanDerWaalsContact O-CG 3.29Å; R175-Q179 WeakPolarHBondContact O-CG 3.31Å; R175-Q179 PolarHBondContact O-N 3.4Å; S176-Q179 PolarHBondContact O-N 2.78Å; Q179-M181 PolarHBondContact O-N 3.48Å; Q179-L182 PolarHBondContact O-N 3.43Å; Q179-Y183 VanDerWaalsContact O-CD2 3.28Å; Q179-Y183 WeakPolarHBondContact O-CD2 3.45Å; Q179-Y183 PolarHBondContact O-N 3.33Å; Q179-L212 PolarHBondContact NE2-O 3.49Å; Q179-F221 HydrophobicContact CB-CD2 3.63Å; Q179-F221 HydrophobicContact CB-CE2 3.55Å; Q179-F221 HydrophobicContact CB-CG 4.2Å; Q179-F221 HydrophobicContact CB-CZ 4.03Å; Q179-F221 HydrophobicContact CG-CB 4.45Å; Q179-F221 HydrophobicContact CG-CD1 3.75Å; Q179-F221 HydrophobicContact CG-CD2 3.65Å; Q179-F221 HydrophobicContact CG-CE1 3.83Å; Q179-F221 HydrophobicContact CG-CE2 3.76Å; Q179-F221 HydrophobicContact CG-CG 3.68Å; Q179-F221 HydrophobicContact CG-CZ 3.85Å |
| 180 | L | 95.9 | Very high | 94.6 | Very high | 102 Ų | 102 | 71.1 Ų | 71.1 | 53% | 0.534 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59.9 | -48.4 | 177.1 | -176.3 | 66 | 0 | 0 | 0 | 111.8 | S176 T178 L182 Y183 E184 | S176-L180 WeakPolarHBondContact O-CB 3.47Å; S176-L180 PolarHBondContact O-N 2.84Å; T178-L180 VanDerWaalsContact C-N 3.34Å; T178-L180 PolarHBondContact O-N 3.38Å; L180-L182 VanDerWaalsContact C-N 3.26Å; L180-L182 PolarHBondContact O-N 3.27Å; L180-Y183 PolarHBondContact O-N 3.16Å; L180-Y183 VanDerWaalsContact O-N 3.15Å; L180-E184 WeakPolarHBondContact O-CG 3.43Å; L180-E184 PolarHBondContact O-N 3.14Å |
| 181 | M | 96.3 | Very high | 93.9 | Very high | 77 Ų | 77 | 71.8 Ų | 71.8 | 38% | 0.379 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.8 | -35 | 178.8 | -179 | -87.3 | -63.1 | 0 | 0 | 112.2 | S177 T178 Q179 E184 L185 | S177-M181 WeakPolarHBondContact O-CB 3.45Å; S177-M181 PolarHBondContact O-N 3.2Å; S177-M181 VanDerWaalsContact O-N 3.11Å; T178-M181 HydrophobicContact CG2-CE 4.29Å; T178-M181 PolarHBondContact O-N 3Å; Q179-M181 PolarHBondContact O-N 3.48Å; M181-E184 PolarHBondContact O-N 3.37Å; M181-L185 WeakPolarHBondContact O-CB 3.47Å; M181-L185 WeakPolarHBondContact O-CG 3.4Å; M181-L185 PolarHBondContact O-N 2.98Å; M181-L185 HydrophobicContact SD-CD1 3.31Å; M181-L185 WeakPolarHBondContact SD-CD1 3.26Å; M181-L185 HydrophobicContact SD-CG 3.84Å |
| 182 | L | 95.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -65.6 | -41.3 | 175.1 | -71.2 | 167.4 | 0 | 0 | 0 | 112.2 | T178 Q179 L180 L185 Q186 L198 L201 I202 F205 L207 L212 F221 | T178-L182 HydrophobicContact CG2-CD1 4.28Å; T178-L182 VanDerWaalsContact O-CG 3.31Å; T178-L182 WeakPolarHBondContact O-CG 3.47Å; T178-L182 PolarHBondContact O-N 2.87Å; Q179-L182 PolarHBondContact O-N 3.43Å; L180-L182 VanDerWaalsContact C-N 3.26Å; L180-L182 PolarHBondContact O-N 3.27Å; L182-L185 PolarHBondContact O-N 3.33Å; L182-Q186 WeakPolarHBondContact O-CB 3.45Å; L182-Q186 PolarHBondContact O-N 2.96Å; L182-L198 HydrophobicContact CB-CD1 3.77Å; L182-L198 HydrophobicContact CD1-CD1 4.49Å; L182-L201 HydrophobicContact CB-CD2 4.2Å; L182-L201 HydrophobicContact CD2-CB 4.48Å; L182-L201 HydrophobicContact CD2-CD2 3.49Å; L182-L201 VanDerWaalsContact CD2-CD2 3.49Å; L182-L201 HydrophobicContact CD2-CG 3.73Å; L182-L201 HydrophobicContact CG-CD2 4.46Å; L182-L201 WeakPolarHBondContact O-CD2 3.43Å; L182-I202 HydrophobicContact CD1-CG1 4.09Å; L182-F205 HydrophobicContact CD2-CD2 4.36Å; L182-L207 HydrophobicContact CD1-CD1 4.1Å; L182-L207 HydrophobicContact CD2-CD1 4.21Å; L182-L212 HydrophobicContact CD1-CD1 3.9Å; L182-F221 HydrophobicContact CB-CZ 4.36Å; L182-F221 HydrophobicContact CD1-CE1 4.41Å; L182-F221 HydrophobicContact CD1-CZ 3.74Å |
| 183 | Y | 95 | Very high | 92.6 | Very high | 76 Ų | 76 | 74.9 Ų | 74.9 | 30% | 0.298 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -66.8 | -38.7 | 172.9 | -68.8 | -61.9 | 0 | 0 | 0 | 112.6 | Q179 L180 Q186 S187 L198 D220 F221 | Q179-Y183 VanDerWaalsContact O-CD2 3.28Å; Q179-Y183 WeakPolarHBondContact O-CD2 3.45Å; Q179-Y183 PolarHBondContact O-N 3.33Å; L180-Y183 PolarHBondContact O-N 3.16Å; L180-Y183 VanDerWaalsContact O-N 3.15Å; Y183-Q186 PolarHBondContact O-N 3.5Å; Y183-S187 WeakPolarHBondContact O-CB 3.48Å; Y183-S187 PolarHBondContact O-N 2.84Å; Y183-S187 PolarHBondContact O-OG 3.16Å; Y183-L198 HydrophobicContact CE1-CD2 3.99Å; Y183-D220 PolarHBondContact OH-OD1 3.16Å; Y183-F221 HydrophobicContact CD2-CD2 4.45Å; Y183-F221 HydrophobicContact CD2-CE2 4.16Å; Y183-F221 HydrophobicContact CE1-CE2 4.38Å; Y183-F221 AromaticContact CE2-CD2 3.47Å; Y183-F221 HydrophobicContact CE2-CD2 3.47Å; Y183-F221 VanDerWaalsContact CE2-CD2 3.47Å; Y183-F221 AromaticContact CE2-CE2 3.57Å; Y183-F221 HydrophobicContact CE2-CE2 3.57Å; Y183-F221 AromaticContact CZ-CD2 3.52Å; Y183-F221 AromaticContact CZ-CE2 3.69Å; Y183-F221 WeakPolarHBondContact OH-CD2 3.44Å |
| 184 | E | 95.4 | Very high | 91.9 | Very high | 117 Ų | 117 | 74.7 Ų | 74.7 | 55% | 0.547 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61.1 | -46.5 | 175.5 | -72.7 | 178.6 | 173.9 | 0 | 0 | 110.9 | L180 M181 S187 A188 | L180-E184 WeakPolarHBondContact O-CG 3.43Å; L180-E184 PolarHBondContact O-N 3.14Å; M181-E184 PolarHBondContact O-N 3.37Å; E184-S187 WeakPolarHBondContact O-CB 3.44Å; E184-S187 PolarHBondContact O-N 2.99Å; E184-A188 PolarHBondContact O-N 3.19Å |
| 185 | L | 93.8 | Very high | 91.3 | Very high | 51 Ų | 51 | 75.8 Ų | 75.8 | 27% | 0.267 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -60.9 | -47.4 | 174.5 | -77.7 | -179.5 | 0 | 0 | 0 | 111.7 | M181 L182 S187 A188 F189 L201 F205 | M181-L185 WeakPolarHBondContact O-CB 3.47Å; M181-L185 WeakPolarHBondContact O-CG 3.4Å; M181-L185 PolarHBondContact O-N 2.98Å; M181-L185 HydrophobicContact SD-CD1 3.31Å; M181-L185 WeakPolarHBondContact SD-CD1 3.26Å; M181-L185 HydrophobicContact SD-CG 3.84Å; L182-L185 PolarHBondContact O-N 3.33Å; L185-S187 PolarHBondContact O-N 2.98Å; L185-A188 PolarHBondContact O-N 3.47Å; L185-A188 VanDerWaalsContact O-N 3.14Å; L185-F189 HydrophobicContact CB-CE2 4.42Å; L185-F189 WeakPolarHBondContact O-CD2 3.4Å; L185-F189 PolarHBondContact O-N 2.86Å; L185-L201 HydrophobicContact CB-CD2 3.85Å; L185-L201 HydrophobicContact CD1-CD2 4.29Å; L185-F205 HydrophobicContact CD1-CE2 3.98Å; L185-F205 HydrophobicContact CD1-CZ 4.18Å |
| 186 | Q | 92.7 | Very high | 91 | Very high | 50 Ų | 50 | 75.6 Ų | 75.6 | 23% | 0.234 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -57 | -40.8 | 177.5 | -178.5 | 177.7 | 50.9 | 0 | 0 | 111.9 | L182 Y183 S190 V196 | L182-Q186 WeakPolarHBondContact O-CB 3.45Å; L182-Q186 PolarHBondContact O-N 2.96Å; Y183-Q186 PolarHBondContact O-N 3.5Å; Q186-S190 WeakPolarHBondContact O-CB 3.39Å; Q186-S190 PolarHBondContact O-N 3.49Å; Q186-S190 PolarHBondContact O-OG 3.17Å; Q186-V196 WeakPolarHBondContact CG-O 3.31Å; Q186-V196 PolarHBondContact NE2-O 3.32Å; Q186-V196 VanDerWaalsContact NE2-O 3.11Å |
| 187 | S | 91.8 | Very high | 90.8 | Very high | 79 Ų | 79 | 75 Ų | 75 | 55% | 0.552 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -65.9 | -43 | 176.6 | -58.5 | 0 | 0 | 0 | 0 | 111.6 | Y183 E184 L185 F189 S190 A191 | Y183-S187 WeakPolarHBondContact O-CB 3.48Å; Y183-S187 PolarHBondContact O-N 2.84Å; Y183-S187 PolarHBondContact O-OG 3.16Å; E184-S187 WeakPolarHBondContact O-CB 3.44Å; E184-S187 PolarHBondContact O-N 2.99Å; L185-S187 PolarHBondContact O-N 2.98Å; S187-F189 PolarHBondContact O-N 3.42Å; S187-S190 PolarHBondContact O-N 2.96Å; S187-A191 PolarHBondContact O-N 3.06Å; S187-A191 VanDerWaalsContact O-N 3.13Å |
| 188 | A | 92 | Very high | 90.6 | Very high | 59 Ų | 59 | 71.9 Ų | 71.9 | 49% | 0.488 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62 | -42.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | E184 L185 S190 A191 D192 | E184-A188 PolarHBondContact O-N 3.19Å; L185-A188 PolarHBondContact O-N 3.47Å; L185-A188 VanDerWaalsContact O-N 3.14Å; A188-S190 VanDerWaalsContact C-N 3.34Å; A188-S190 PolarHBondContact O-N 3.24Å; A188-A191 WeakPolarHBondContact O-CB 3.43Å; A188-A191 PolarHBondContact O-N 3.34Å; A188-D192 PolarHBondContact O-N 3.2Å |
| 189 | F | 88.3 | Confident | 90.6 | Very high | 79 Ų | 79 | 71.1 Ų | 71.1 | 35% | 0.346 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -67.2 | -35.1 | 175.5 | -74.4 | -65.9 | 0 | 0 | 0 | 113 | L185 S187 A191 D192 K194 V196 L201 | L185-F189 HydrophobicContact CB-CE2 4.42Å; L185-F189 WeakPolarHBondContact O-CD2 3.4Å; L185-F189 PolarHBondContact O-N 2.86Å; S187-F189 PolarHBondContact O-N 3.42Å; F189-A191 VanDerWaalsContact C-N 3.26Å; F189-A191 PolarHBondContact O-N 2.98Å; F189-D192 PolarHBondContact O-N 2.9Å; F189-D192 VanDerWaalsContact O-N 3.14Å; F189-K194 CarbonylContact C-O 3.57Å; F189-K194 CarbonylContact O-C 3.59Å; F189-K194 PolarHBondContact O-N 3.44Å; F189-V196 HydrophobicContact CB-CG2 4.01Å; F189-V196 HydrophobicContact CD2-CG2 4.48Å; F189-V196 HydrophobicContact CG-CG2 4.12Å; F189-L201 HydrophobicContact CE2-CD1 4.26Å |
| 190 | S | 86.4 | Confident | 90.5 | Very high | 56 Ų | 56 | 74.8 Ų | 74.8 | 39% | 0.392 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.7 | -30.9 | 176.7 | -61.6 | 0 | 0 | 0 | 0 | 112.1 | Q186 S187 A188 D192 G193 K194 | Q186-S190 WeakPolarHBondContact O-CB 3.39Å; Q186-S190 PolarHBondContact O-N 3.49Å; Q186-S190 PolarHBondContact O-OG 3.17Å; S187-S190 PolarHBondContact O-N 2.96Å; A188-S190 VanDerWaalsContact C-N 3.34Å; A188-S190 PolarHBondContact O-N 3.24Å; S190-D192 VanDerWaalsContact C-N 3.33Å; S190-G193 PolarHBondContact O-N 3.45Å; S190-K194 PolarHBondContact N-O 3.36Å |
| 191 | A | 83.2 | Confident | 90.4 | Very high | 88 Ų | 88 | 70.2 Ų | 70.2 | 73% | 0.727 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -66.8 | -32.6 | 173 | 0 | 0 | 0 | 0 | 0 | 112.8 | S187 A188 F189 G193 | S187-A191 PolarHBondContact O-N 3.06Å; S187-A191 VanDerWaalsContact O-N 3.13Å; A188-A191 WeakPolarHBondContact O-CB 3.43Å; A188-A191 PolarHBondContact O-N 3.34Å; F189-A191 VanDerWaalsContact C-N 3.26Å; F189-A191 PolarHBondContact O-N 2.98Å; A191-G193 PolarHBondContact O-N 3.49Å |
| 192 | D | 84.1 | Confident | 90.3 | Very high | 131 Ų | 131 | 66.6 Ų | 66.6 | 70% | 0.701 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | 7.9 | 173.7 | -88.8 | -10.4 | 0 | 0 | 0 | 113.5 | A188 F189 S190 K194 | A188-D192 PolarHBondContact O-N 3.2Å; F189-D192 PolarHBondContact O-N 2.9Å; F189-D192 VanDerWaalsContact O-N 3.14Å; S190-D192 VanDerWaalsContact C-N 3.33Å; D192-K194 PolarHBondContact O-N 3.46Å |
| 193 | G | 79.6 | Confident | 90.3 | Very high | 67 Ų | 67 | 70.4 Ų | 70.4 | 69% | 0.691 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.8 | 4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | S190 A191 | S190-G193 PolarHBondContact O-N 3.45Å; A191-G193 PolarHBondContact O-N 3.49Å |
| 194 | K | 81.8 | Confident | 90.3 | Very high | 145 Ų | 145 | 72.3 Ų | 72.3 | 63% | 0.63 | 41% | 0.41 | S | S | * | . | trans | -102.7 | 104.2 | 176.4 | -67.5 | 178 | -175 | 170.4 | 0 | 109.8 | F189 S190 D192 V196 | F189-K194 CarbonylContact C-O 3.57Å; F189-K194 CarbonylContact O-C 3.59Å; F189-K194 PolarHBondContact O-N 3.44Å; S190-K194 PolarHBondContact N-O 3.36Å; D192-K194 PolarHBondContact O-N 3.46Å; K194-V196 PolarHBondContact O-N 2.96Å; K194-V196 VanDerWaalsContact O-N 3.17Å | ||
| 195 | K | 84.4 | Confident | 90.2 | Very high | 197 Ų | 197 | 72.5 Ų | 72.5 | 86% | 0.857 | 41% | 0.409 | S | S | * | . | trans | -74.2 | 106.3 | 171.3 | -63.8 | -169.4 | 177.9 | -173.5 | 0 | 109.3 | ||||
| 196 | V | 89.7 | Confident | 90.3 | Very high | 27 Ų | 27 | 73.2 Ų | 73.2 | 16% | 0.164 | 43% | 0.429 | C | S | . | . | trans | -99.5 | 128 | 172.7 | -177.9 | 0 | 0 | 0 | 0 | 108 | Q186 F189 K194 Q200 L201 | Q186-V196 WeakPolarHBondContact CG-O 3.31Å; Q186-V196 PolarHBondContact NE2-O 3.32Å; Q186-V196 VanDerWaalsContact NE2-O 3.11Å; F189-V196 HydrophobicContact CB-CG2 4.01Å; F189-V196 HydrophobicContact CD2-CG2 4.48Å; F189-V196 HydrophobicContact CG-CG2 4.12Å; K194-V196 PolarHBondContact O-N 2.96Å; K194-V196 VanDerWaalsContact O-N 3.17Å; V196-Q200 HydrophobicContact CG1-CB 4.16Å; V196-Q200 HydrophobicContact CG1-CG 4.34Å; V196-L201 HydrophobicContact CG1-CB 4.44Å | ||
| 197 | S | 92.4 | Very high | 90.4 | Very high | 47 Ų | 47 | 73.4 Ų | 73.4 | 33% | 0.329 | 43% | 0.432 | S | S | . | . | trans | -73.5 | 157.5 | 175.5 | 72.4 | 0 | 0 | 0 | 0 | 111 | T199 Q200 L201 | S197-T199 VanDerWaalsContact C-N 3.32Å; S197-Q200 PolarHBondContact O-N 2.94Å; S197-Q200 WeakPolarHBondContact OG-CB 3.43Å; S197-Q200 PolarHBondContact OG-N 3.46Å; S197-L201 PolarHBondContact O-N 2.86Å; S197-L201 VanDerWaalsContact O-N 3.11Å | ||
| 198 | L | 93.5 | Very high | 90.5 | Very high | 1 Ų | 1 | 75.2 Ų | 75.2 | 1% | 0.005 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -66.8 | -39.4 | -179.9 | -173.6 | 56.7 | 0 | 0 | 0 | 110 | L182 Y183 Q200 L201 I202 Y214 E219 F221 | L182-L198 HydrophobicContact CB-CD1 3.77Å; L182-L198 HydrophobicContact CD1-CD1 4.49Å; Y183-L198 HydrophobicContact CE1-CD2 3.99Å; L198-Q200 VanDerWaalsContact C-N 3.31Å; L198-Q200 PolarHBondContact O-N 3.07Å; L198-L201 PolarHBondContact O-N 3.12Å; L198-I202 HydrophobicContact CD1-CD1 4.33Å; L198-I202 HydrophobicContact CG-CD1 3.97Å; L198-I202 WeakPolarHBondContact O-CB 3.39Å; L198-I202 VanDerWaalsContact O-CG1 3.3Å; L198-I202 WeakPolarHBondContact O-CG1 2.89Å; L198-I202 PolarHBondContact O-N 3.09Å; L198-Y214 HydrophobicContact CB-CE2 4.2Å; L198-Y214 HydrophobicContact CD2-CD2 4.06Å; L198-Y214 HydrophobicContact CD2-CE2 3.54Å; L198-Y214 HydrophobicContact CG-CD2 4.41Å; L198-Y214 HydrophobicContact CG-CE2 3.75Å; L198-E219 PolarHBondContact N-OE2 3.27Å; L198-F221 HydrophobicContact CD1-CE2 4.46Å; L198-F221 HydrophobicContact CD1-CZ 4.08Å; L198-F221 HydrophobicContact CD2-CD2 4.38Å; L198-F221 HydrophobicContact CD2-CE1 4.35Å; L198-F221 HydrophobicContact CD2-CE2 3.77Å; L198-F221 HydrophobicContact CD2-CZ 3.74Å; L198-F221 HydrophobicContact CG-CZ 4.26Å |
| 199 | T | 94.5 | Very high | 90.6 | Very high | 21 Ų | 21 | 74.2 Ų | 74.2 | 13% | 0.129 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -53.2 | -47.7 | 171 | -63.4 | 0 | 0 | 0 | 0 | 111.7 | S197 L201 I202 D203 Y214 E219 | S197-T199 VanDerWaalsContact C-N 3.32Å; T199-L201 VanDerWaalsContact C-N 3.32Å; T199-L201 PolarHBondContact O-N 3.17Å; T199-I202 PolarHBondContact O-N 2.9Å; T199-D203 WeakPolarHBondContact O-CB 3.47Å; T199-D203 PolarHBondContact O-N 3.44Å; T199-Y214 PolarHBondContact N-OH 3.08Å; T199-Y214 VanDerWaalsContact N-OH 3.1Å; T199-Y214 PolarHBondContact OG1-OH 3.48Å; T199-E219 VanDerWaalsContact CB-OE1 3.26Å; T199-E219 WeakPolarHBondContact CB-OE1 3.47Å; T199-E219 PolarHBondContact N-OE2 3.04Å; T199-E219 VanDerWaalsContact N-OE2 3.14Å; T199-E219 PolarHBondContact OG1-OE1 2.7Å; T199-E219 PolarHBondContact OG1-OE2 3.21Å |
| 200 | Q | 93.9 | Very high | 90.9 | Very high | 101 Ų | 101 | 78.3 Ų | 78.3 | 47% | 0.472 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.1 | -37 | -177 | -171.3 | 171.8 | 15.2 | 0 | 0 | 111.7 | V196 S197 L198 N204 | V196-Q200 HydrophobicContact CG1-CB 4.16Å; V196-Q200 HydrophobicContact CG1-CG 4.34Å; S197-Q200 PolarHBondContact O-N 2.94Å; S197-Q200 WeakPolarHBondContact OG-CB 3.43Å; S197-Q200 PolarHBondContact OG-N 3.46Å; L198-Q200 VanDerWaalsContact C-N 3.31Å; L198-Q200 PolarHBondContact O-N 3.07Å; Q200-N204 VanDerWaalsContact O-CB 3.3Å; Q200-N204 WeakPolarHBondContact O-CB 3.08Å; Q200-N204 PolarHBondContact O-N 3.47Å; Q200-N204 PolarHBondContact O-ND2 2.9Å; Q200-N204 VanDerWaalsContact O-ND2 3.08Å; Q200-N204 PolarHBondContact O-OD1 3.27Å |
| 201 | L | 93.9 | Very high | 91.2 | Very high | 6 Ų | 6 | 80.7 Ų | 80.7 | 3% | 0.031 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -65.7 | -45.8 | 176.1 | -164.5 | 64.3 | 0 | 0 | 0 | 111.2 | L182 L185 F189 V196 S197 L198 T199 N204 F205 | L182-L201 HydrophobicContact CB-CD2 4.2Å; L182-L201 HydrophobicContact CD2-CB 4.48Å; L182-L201 HydrophobicContact CD2-CD2 3.49Å; L182-L201 VanDerWaalsContact CD2-CD2 3.49Å; L182-L201 HydrophobicContact CD2-CG 3.73Å; L182-L201 HydrophobicContact CG-CD2 4.46Å; L182-L201 WeakPolarHBondContact O-CD2 3.43Å; L185-L201 HydrophobicContact CB-CD2 3.85Å; L185-L201 HydrophobicContact CD1-CD2 4.29Å; F189-L201 HydrophobicContact CE2-CD1 4.26Å; V196-L201 HydrophobicContact CG1-CB 4.44Å; S197-L201 PolarHBondContact O-N 2.86Å; S197-L201 VanDerWaalsContact O-N 3.11Å; L198-L201 PolarHBondContact O-N 3.12Å; T199-L201 VanDerWaalsContact C-N 3.32Å; T199-L201 PolarHBondContact O-N 3.17Å; L201-N204 PolarHBondContact O-N 3.42Å; L201-F205 HydrophobicContact CD1-CD2 4.07Å; L201-F205 HydrophobicContact CD1-CE2 3.48Å; L201-F205 VanDerWaalsContact CD1-CE2 3.48Å; L201-F205 HydrophobicContact CD1-CZ 4.47Å; L201-F205 HydrophobicContact CG-CD2 4.01Å; L201-F205 HydrophobicContact CG-CE2 3.8Å; L201-F205 WeakPolarHBondContact O-CD2 3.13Å; L201-F205 PolarHBondContact O-N 3.41Å; L201-F205 VanDerWaalsContact O-N 3.12Å |
| 202 | I | 95.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 76.9 Ų | 76.9 | 0% | 0 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -60 | -47.6 | 177.1 | -71.7 | 171 | 0 | 0 | 0 | 110.8 | L182 L198 T199 N204 F205 G206 L207 L212 Y214 F221 | L182-I202 HydrophobicContact CD1-CG1 4.09Å; L198-I202 HydrophobicContact CD1-CD1 4.33Å; L198-I202 HydrophobicContact CG-CD1 3.97Å; L198-I202 WeakPolarHBondContact O-CB 3.39Å; L198-I202 VanDerWaalsContact O-CG1 3.3Å; L198-I202 WeakPolarHBondContact O-CG1 2.89Å; L198-I202 PolarHBondContact O-N 3.09Å; T199-I202 PolarHBondContact O-N 2.9Å; I202-N204 PolarHBondContact O-N 2.82Å; I202-F205 PolarHBondContact O-N 2.96Å; I202-G206 PolarHBondContact O-N 3.13Å; I202-L207 HydrophobicContact CG2-CB 4Å; I202-L207 WeakPolarHBondContact CG2-O 3.39Å; I202-L207 PolarHBondContact O-N 3.24Å; I202-L212 HydrophobicContact CD1-CD1 4.29Å; I202-L212 HydrophobicContact CG1-CD1 4.23Å; I202-Y214 HydrophobicContact CD1-CD1 3.53Å; I202-Y214 HydrophobicContact CD1-CD2 3.73Å; I202-Y214 HydrophobicContact CD1-CE1 3.76Å; I202-Y214 HydrophobicContact CD1-CE2 3.98Å; I202-Y214 HydrophobicContact CD1-CG 3.5Å; I202-Y214 VanDerWaalsContact CD1-CG 3.5Å; I202-F221 HydrophobicContact CD1-CE1 4.19Å |
| 203 | D | 95.3 | Very high | 92.2 | Very high | 80 Ų | 80 | 73.3 Ų | 73.3 | 43% | 0.428 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.8 | -40.3 | 178.7 | -74.2 | -20.7 | 0 | 0 | 0 | 111.4 | T199 F205 G206 R216 | T199-D203 WeakPolarHBondContact O-CB 3.47Å; T199-D203 PolarHBondContact O-N 3.44Å; D203-F205 VanDerWaalsContact C-N 3.31Å; D203-F205 PolarHBondContact O-N 3.29Å; D203-G206 PolarHBondContact O-N 3.23Å; D203-G206 VanDerWaalsContact O-N 3.13Å; D203-R216 IonicContact OD1-CZ 3.48Å; D203-R216 IonicContact OD1-NH1 2.7Å; D203-R216 PolarHBondContact OD1-NH1 3.22Å; D203-R216 IonicContact OD1-NH2 3.38Å; D203-R216 PolarHBondContact OD1-NH2 3.4Å; D203-R216 IonicContact OD2-NH1 3.82Å; D203-R216 PolarHBondContact OD2-NH1 3.01Å |
| 204 | N | 94.2 | Very high | 93 | Very high | 117 Ų | 117 | 70.9 Ų | 70.9 | 63% | 0.626 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -63.6 | -35.1 | 177.7 | -73.8 | -21.9 | 0 | 0 | 0 | 112.9 | Q200 L201 I202 | Q200-N204 VanDerWaalsContact O-CB 3.3Å; Q200-N204 WeakPolarHBondContact O-CB 3.08Å; Q200-N204 PolarHBondContact O-N 3.47Å; Q200-N204 PolarHBondContact O-ND2 2.9Å; Q200-N204 VanDerWaalsContact O-ND2 3.08Å; Q200-N204 PolarHBondContact O-OD1 3.27Å; L201-N204 PolarHBondContact O-N 3.42Å; I202-N204 PolarHBondContact O-N 2.82Å |
| 205 | F | 93.8 | Very high | 93.5 | Very high | 120 Ų | 120 | 64.9 Ų | 64.9 | 53% | 0.526 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -88.7 | -3.1 | 176.4 | -70.8 | -65.2 | 0 | 0 | 0 | 113.4 | L182 L185 L201 I202 D203 L207 | L182-F205 HydrophobicContact CD2-CD2 4.36Å; L185-F205 HydrophobicContact CD1-CE2 3.98Å; L185-F205 HydrophobicContact CD1-CZ 4.18Å; L201-F205 HydrophobicContact CD1-CD2 4.07Å; L201-F205 HydrophobicContact CD1-CE2 3.48Å; L201-F205 VanDerWaalsContact CD1-CE2 3.48Å; L201-F205 HydrophobicContact CD1-CZ 4.47Å; L201-F205 HydrophobicContact CG-CD2 4.01Å; L201-F205 HydrophobicContact CG-CE2 3.8Å; L201-F205 WeakPolarHBondContact O-CD2 3.13Å; L201-F205 PolarHBondContact O-N 3.41Å; L201-F205 VanDerWaalsContact O-N 3.12Å; I202-F205 PolarHBondContact O-N 2.96Å; D203-F205 VanDerWaalsContact C-N 3.31Å; D203-F205 PolarHBondContact O-N 3.29Å; F205-L207 VanDerWaalsContact C-N 3.28Å; F205-L207 HydrophobicContact CB-CD1 3.96Å; F205-L207 HydrophobicContact CB-CG 3.8Å; F205-L207 PolarHBondContact O-N 3.33Å |
| 206 | G | 95 | Very high | 94 | Very high | 67 Ų | 67 | 61 Ų | 61 | 69% | 0.691 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.5 | 32.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | I202 D203 | I202-G206 PolarHBondContact O-N 3.13Å; D203-G206 PolarHBondContact O-N 3.23Å; D203-G206 VanDerWaalsContact O-N 3.13Å |
| 207 | L | 95.4 | Very high | 94 | Very high | 54 Ų | 54 | 66 Ų | 66 | 28% | 0.283 | 35% | 0.347 | S | S | . | . | trans | -82.2 | 137.5 | -179 | -60.7 | 173.5 | 0 | 0 | 0 | 110.1 | T178 L182 I202 F205 L212 | T178-L207 HydrophobicContact CG2-CD1 4.38Å; L182-L207 HydrophobicContact CD1-CD1 4.1Å; L182-L207 HydrophobicContact CD2-CD1 4.21Å; I202-L207 HydrophobicContact CG2-CB 4Å; I202-L207 WeakPolarHBondContact CG2-O 3.39Å; I202-L207 PolarHBondContact O-N 3.24Å; F205-L207 VanDerWaalsContact C-N 3.28Å; F205-L207 HydrophobicContact CB-CD1 3.96Å; F205-L207 HydrophobicContact CB-CG 3.8Å; F205-L207 PolarHBondContact O-N 3.33Å; L207-L212 HydrophobicContact CB-CD1 3.79Å; L207-L212 HydrophobicContact CD1-CD1 3.94Å; L207-L212 HydrophobicContact CG-CD1 4.44Å | ||
| 208 | E | 94.6 | Very high | 93.9 | Very high | 117 Ų | 117 | 70.3 Ų | 70.3 | 55% | 0.547 | 36% | 0.362 | S | S | . | . | trans | -81.4 | 125.5 | 179.2 | -171 | -179.7 | -173.7 | 0 | 0 | 111.1 | K210 L211 L212 | E208-K210 HydrophobicContact CG-CB 4.23Å; E208-K210 PolarHBondContact O-N 3.31Å; E208-L211 HydrophobicContact CB-CB 4.19Å; E208-L211 WeakPolarHBondContact O-CB 3.42Å; E208-L211 PolarHBondContact O-N 3.29Å; E208-L212 PolarHBondContact O-N 3.48Å | ||
| 209 | D | 93.8 | Very high | 93.8 | Very high | 38 Ų | 38 | 73.9 Ų | 73.9 | 20% | 0.203 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -52.7 | -42 | 179.2 | -55 | -0.4 | 0 | 0 | 0 | 112.5 | L211 L212 H213 Y214 R216 | D209-L211 VanDerWaalsContact C-N 3.31Å; D209-L211 PolarHBondContact O-N 3.09Å; D209-L212 CarbonylContact O-C 3.15Å; D209-L212 PolarHBondContact O-N 3.01Å; D209-H213 PolarHBondContact O-N 3.08Å; D209-Y214 HydrophobicContact CB-CD1 4.48Å; D209-Y214 PolarHBondContact O-N 2.9Å; D209-R216 IonicContact OD1-CZ 3.27Å; D209-R216 IonicContact OD1-NE 2.78Å; D209-R216 IonicContact OD1-NH2 3.47Å; D209-R216 PolarHBondContact OD1-NH2 3.47Å; D209-R216 VanDerWaalsContact OD1-NH2 3.08Å; D209-R216 IonicContact OD2-CZ 2.76Å; D209-R216 IonicContact OD2-NE 3.2Å; D209-R216 PolarHBondContact OD2-NE 3.14Å; D209-R216 IonicContact OD2-NH2 3.28Å; D209-R216 PolarHBondContact OD2-NH2 2.82Å |
| 210 | K | 93.5 | Very high | 93.7 | Very high | 165 Ų | 165 | 76.5 Ų | 76.5 | 72% | 0.717 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -64.9 | -34.9 | -179.4 | -64.5 | 179.2 | -176.1 | 170.2 | 0 | 112.5 | E208 H213 | E208-K210 HydrophobicContact CG-CB 4.23Å; E208-K210 PolarHBondContact O-N 3.31Å; K210-H213 PolarHBondContact O-CD2 3.46Å |
| 211 | L | 93.9 | Very high | 93.8 | Very high | 106 Ų | 106 | 72.4 Ų | 72.4 | 56% | 0.555 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -70.8 | -37 | -179.9 | -176.3 | 63.3 | 0 | 0 | 0 | 111 | R175 E208 D209 | R175-L211 PolarHBondContact NE-O 2.85Å; E208-L211 HydrophobicContact CB-CB 4.19Å; E208-L211 WeakPolarHBondContact O-CB 3.42Å; E208-L211 PolarHBondContact O-N 3.29Å; D209-L211 VanDerWaalsContact C-N 3.31Å; D209-L211 PolarHBondContact O-N 3.09Å |
| 212 | L | 94.3 | Very high | 93.5 | Very high | 7 Ų | 7 | 75.5 Ų | 75.5 | 4% | 0.037 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -87.6 | -3.5 | 179 | -67.2 | 177.6 | 0 | 0 | 0 | 114.2 | T178 Q179 L182 I202 L207 E208 D209 Y214 F221 | T178-L212 HydrophobicContact CG2-CD2 3.89Å; Q179-L212 PolarHBondContact NE2-O 3.49Å; L182-L212 HydrophobicContact CD1-CD1 3.9Å; I202-L212 HydrophobicContact CD1-CD1 4.29Å; I202-L212 HydrophobicContact CG1-CD1 4.23Å; L207-L212 HydrophobicContact CB-CD1 3.79Å; L207-L212 HydrophobicContact CD1-CD1 3.94Å; L207-L212 HydrophobicContact CG-CD1 4.44Å; E208-L212 PolarHBondContact O-N 3.48Å; D209-L212 CarbonylContact O-C 3.15Å; D209-L212 PolarHBondContact O-N 3.01Å; L212-Y214 PolarHBondContact O-N 2.93Å; L212-F221 HydrophobicContact CB-CD1 4.34Å; L212-F221 HydrophobicContact CB-CE1 4.03Å; L212-F221 HydrophobicContact CD1-CE1 4.33Å; L212-F221 WeakPolarHBondContact O-CD1 3.48Å |
| 213 | H | 94.6 | Very high | 92.3 | Very high | 57 Ų | 57 | 82.9 Ų | 82.9 | 26% | 0.264 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 44.3 | -168.3 | -58.9 | 155.6 | 0 | 0 | 0 | 112.1 | R175 D209 K210 V222 T224 | R175-H213 PolarHBondContact NH1-CE1 3.48Å; D209-H213 PolarHBondContact O-N 3.08Å; K210-H213 PolarHBondContact O-CD2 3.46Å; H213-V222 PolarHBondContact O-N 2.72Å; H213-T224 WeakPolarHBondContact CE1-CG2 3.44Å; H213-T224 VanDerWaalsContact ND1-CG2 3.29Å; H213-T224 WeakPolarHBondContact ND1-CG2 3.49Å; H213-T224 PolarHBondContact ND1-OG1 3.35Å |
| 214 | Y | 95.3 | Very high | 90.6 | Very high | 15 Ų | 15 | 86.5 Ų | 86.5 | 6% | 0.059 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 134.6 | -178.5 | 179.4 | -113.6 | 0 | 0 | 0 | 111.7 | L198 T199 I202 D209 L212 R216 E219 D220 F221 | L198-Y214 HydrophobicContact CB-CE2 4.2Å; L198-Y214 HydrophobicContact CD2-CD2 4.06Å; L198-Y214 HydrophobicContact CD2-CE2 3.54Å; L198-Y214 HydrophobicContact CG-CD2 4.41Å; L198-Y214 HydrophobicContact CG-CE2 3.75Å; T199-Y214 PolarHBondContact N-OH 3.08Å; T199-Y214 VanDerWaalsContact N-OH 3.1Å; T199-Y214 PolarHBondContact OG1-OH 3.48Å; I202-Y214 HydrophobicContact CD1-CD1 3.53Å; I202-Y214 HydrophobicContact CD1-CD2 3.73Å; I202-Y214 HydrophobicContact CD1-CE1 3.76Å; I202-Y214 HydrophobicContact CD1-CE2 3.98Å; I202-Y214 HydrophobicContact CD1-CG 3.5Å; I202-Y214 VanDerWaalsContact CD1-CG 3.5Å; D209-Y214 HydrophobicContact CB-CD1 4.48Å; D209-Y214 PolarHBondContact O-N 2.9Å; L212-Y214 PolarHBondContact O-N 2.93Å; Y214-R216 HydrophobicContact CD1-CG 4.14Å; Y214-R216 HydrophobicContact CE1-CB 4.42Å; Y214-R216 HydrophobicContact CE1-CG 3.8Å; Y214-E219 WeakPolarHBondContact OH-CA 3.39Å; Y214-E219 PolarHBondContact OH-OE2 3.01Å; Y214-D220 WeakPolarHBondContact CD2-O 3.41Å; Y214-F221 AromaticContact CD2-CD1 3.84Å; Y214-F221 HydrophobicContact CD2-CD1 3.84Å; Y214-F221 AromaticContact CD2-CE1 3.81Å; Y214-F221 HydrophobicContact CD2-CE1 3.81Å; Y214-F221 HydrophobicContact CG-CD1 4.36Å; Y214-F221 HydrophobicContact CG-CE1 4.26Å |
| 215 | S | 93.6 | Very high | 90.4 | Very high | 20 Ų | 20 | 85 Ų | 85 | 14% | 0.14 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 104.9 | 175.9 | 179.6 | 0 | 0 | 0 | 0 | 109.9 | T217 E218 E219 D220 | S215-T217 PolarHBondContact O-N 2.96Å; S215-T217 VanDerWaalsContact O-N 3.16Å; S215-T217 PolarHBondContact OG-OG1 3.48Å; S215-E218 PolarHBondContact O-N 2.94Å; S215-E218 PolarHBondContact OG-N 3.37Å; S215-E219 WeakPolarHBondContact O-CA 3.32Å; S215-E219 PolarHBondContact O-N 2.98Å; S215-D220 PolarHBondContact N-O 3.44Å; S215-D220 PolarHBondContact O-N 2.92Å |
| 216 | R | 93 | Very high | 90.2 | Very high | 116 Ų | 116 | 83.1 Ų | 83.1 | 44% | 0.438 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -24.9 | 175.9 | -70.7 | -168 | -173.2 | -121.9 | -13.3 | 113.2 | D203 D209 Y214 | D203-R216 IonicContact OD1-CZ 3.48Å; D203-R216 IonicContact OD1-NH1 2.7Å; D203-R216 PolarHBondContact OD1-NH1 3.22Å; D203-R216 IonicContact OD1-NH2 3.38Å; D203-R216 PolarHBondContact OD1-NH2 3.4Å; D203-R216 IonicContact OD2-NH1 3.82Å; D203-R216 PolarHBondContact OD2-NH1 3.01Å; D209-R216 IonicContact OD1-CZ 3.27Å; D209-R216 IonicContact OD1-NE 2.78Å; D209-R216 IonicContact OD1-NH2 3.47Å; D209-R216 PolarHBondContact OD1-NH2 3.47Å; D209-R216 VanDerWaalsContact OD1-NH2 3.08Å; D209-R216 IonicContact OD2-CZ 2.76Å; D209-R216 IonicContact OD2-NE 3.2Å; D209-R216 PolarHBondContact OD2-NE 3.14Å; D209-R216 IonicContact OD2-NH2 3.28Å; D209-R216 PolarHBondContact OD2-NH2 2.82Å; Y214-R216 HydrophobicContact CD1-CG 4.14Å; Y214-R216 HydrophobicContact CE1-CB 4.42Å; Y214-R216 HydrophobicContact CE1-CG 3.8Å |
| 217 | T | 91.1 | Very high | 90 | Very high | 131 Ų | 131 | 84 Ų | 84 | 80% | 0.804 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -35.9 | 179.7 | 45.7 | 0 | 0 | 0 | 0 | 112.6 | S215 | S215-T217 PolarHBondContact O-N 2.96Å; S215-T217 VanDerWaalsContact O-N 3.16Å; S215-T217 PolarHBondContact OG-OG1 3.48Å |
| 218 | E | 89.2 | Confident | 89.6 | Confident | 137 Ų | 137 | 85.8 Ų | 85.8 | 64% | 0.64 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | -11 | -179.3 | -65.2 | 171.5 | 166.8 | 0 | 0 | 111.9 | S215 D220 | S215-E218 PolarHBondContact O-N 2.94Å; S215-E218 PolarHBondContact OG-N 3.37Å; E218-D220 HydrophobicContact CB-CB 4.4Å; E218-D220 PolarHBondContact O-N 3.08Å |
| 219 | E | 91.9 | Very high | 89.3 | Confident | 76 Ų | 76 | 83.8 Ų | 83.8 | 36% | 0.355 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 32.9 | -171.8 | -79.5 | -87.2 | 174.2 | 0 | 0 | 112.4 | L198 T199 Y214 S215 | L198-E219 PolarHBondContact N-OE2 3.27Å; T199-E219 VanDerWaalsContact CB-OE1 3.26Å; T199-E219 WeakPolarHBondContact CB-OE1 3.47Å; T199-E219 PolarHBondContact N-OE2 3.04Å; T199-E219 VanDerWaalsContact N-OE2 3.14Å; T199-E219 PolarHBondContact OG1-OE1 2.7Å; T199-E219 PolarHBondContact OG1-OE2 3.21Å; Y214-E219 WeakPolarHBondContact OH-CA 3.39Å; Y214-E219 PolarHBondContact OH-OE2 3.01Å; S215-E219 WeakPolarHBondContact O-CA 3.32Å; S215-E219 PolarHBondContact O-N 2.98Å |
| 220 | D | 93.1 | Very high | 89 | Confident | 76 Ų | 76 | 86.9 Ų | 86.9 | 41% | 0.406 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 162.3 | -173.6 | -148.5 | 1.4 | 0 | 0 | 0 | 112.7 | Y183 Y214 S215 E218 | Y183-D220 PolarHBondContact OH-OD1 3.16Å; Y214-D220 WeakPolarHBondContact CD2-O 3.41Å; S215-D220 PolarHBondContact N-O 3.44Å; S215-D220 PolarHBondContact O-N 2.92Å; E218-D220 HydrophobicContact CB-CB 4.4Å; E218-D220 PolarHBondContact O-N 3.08Å |
| 221 | F | 94.6 | Very high | 88.7 | Confident | 16 Ų | 16 | 81.3 Ų | 81.3 | 7% | 0.07 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 131 | 172.7 | -59.1 | -63 | 0 | 0 | 0 | 110.5 | Q179 L182 Y183 L198 I202 L212 Y214 D223 | Q179-F221 HydrophobicContact CB-CD2 3.63Å; Q179-F221 HydrophobicContact CB-CE2 3.55Å; Q179-F221 HydrophobicContact CB-CG 4.2Å; Q179-F221 HydrophobicContact CB-CZ 4.03Å; Q179-F221 HydrophobicContact CG-CB 4.45Å; Q179-F221 HydrophobicContact CG-CD1 3.75Å; Q179-F221 HydrophobicContact CG-CD2 3.65Å; Q179-F221 HydrophobicContact CG-CE1 3.83Å; Q179-F221 HydrophobicContact CG-CE2 3.76Å; Q179-F221 HydrophobicContact CG-CG 3.68Å; Q179-F221 HydrophobicContact CG-CZ 3.85Å; L182-F221 HydrophobicContact CB-CZ 4.36Å; L182-F221 HydrophobicContact CD1-CE1 4.41Å; L182-F221 HydrophobicContact CD1-CZ 3.74Å; Y183-F221 HydrophobicContact CD2-CD2 4.45Å; Y183-F221 HydrophobicContact CD2-CE2 4.16Å; Y183-F221 HydrophobicContact CE1-CE2 4.38Å; Y183-F221 AromaticContact CE2-CD2 3.47Å; Y183-F221 HydrophobicContact CE2-CD2 3.47Å; Y183-F221 VanDerWaalsContact CE2-CD2 3.47Å; Y183-F221 AromaticContact CE2-CE2 3.57Å; Y183-F221 HydrophobicContact CE2-CE2 3.57Å; Y183-F221 AromaticContact CZ-CD2 3.52Å; Y183-F221 AromaticContact CZ-CE2 3.69Å; Y183-F221 WeakPolarHBondContact OH-CD2 3.44Å; L198-F221 HydrophobicContact CD1-CE2 4.46Å; L198-F221 HydrophobicContact CD1-CZ 4.08Å; L198-F221 HydrophobicContact CD2-CD2 4.38Å; L198-F221 HydrophobicContact CD2-CE1 4.35Å; L198-F221 HydrophobicContact CD2-CE2 3.77Å; L198-F221 HydrophobicContact CD2-CZ 3.74Å; L198-F221 HydrophobicContact CG-CZ 4.26Å; I202-F221 HydrophobicContact CD1-CE1 4.19Å; L212-F221 HydrophobicContact CB-CD1 4.34Å; L212-F221 HydrophobicContact CB-CE1 4.03Å; L212-F221 HydrophobicContact CD1-CE1 4.33Å; L212-F221 WeakPolarHBondContact O-CD1 3.48Å; Y214-F221 AromaticContact CD2-CD1 3.84Å; Y214-F221 HydrophobicContact CD2-CD1 3.84Å; Y214-F221 AromaticContact CD2-CE1 3.81Å; Y214-F221 HydrophobicContact CD2-CE1 3.81Å; Y214-F221 HydrophobicContact CG-CD1 4.36Å; Y214-F221 HydrophobicContact CG-CE1 4.26Å; F221-D223 PolarHBondContact O-N 2.74Å |
| 222 | V | 89.4 | Confident | 88.3 | Confident | 70 Ų | 70 | 79.4 Ų | 79.4 | 42% | 0.424 | 42% | 0.417 | S | S | . | . | trans | -81.2 | 114.9 | 175.5 | -170.2 | 0 | 0 | 0 | 0 | 108.1 | H213 T224 | H213-V222 PolarHBondContact O-N 2.72Å; V222-T224 PolarHBondContact O-N 3.45Å | ||
| 223 | D | 68.6 | Low | 87.8 | Confident | 156 Ų | 156 | 85.4 Ų | 85.4 | 83% | 0.834 | 45% | 0.449 | S | S | * | . | trans | -59.8 | 132.3 | 173.3 | -85.9 | -21.5 | 0 | 0 | 0 | 110.3 | F221 | F221-D223 PolarHBondContact O-N 2.74Š| ||
| 224 | T | 59.8 | Low | 87.2 | Confident | 155 Ų | 155 | 88 Ų | 88 | 95% | 0.951 | 47% | 0.466 | S | S | * | . | trans | -113.3 | 0 | 169.1 | 50.6 | 0 | 0 | 0 | 0 | 110.9 | H213 V222 | H213-T224 WeakPolarHBondContact CE1-CG2 3.44Å; H213-T224 VanDerWaalsContact ND1-CG2 3.29Å; H213-T224 WeakPolarHBondContact ND1-CG2 3.49Å; H213-T224 PolarHBondContact ND1-OG1 3.35Å; V222-T224 PolarHBondContact O-N 3.45Å |
Retrieved 224 of 224 residues in 33.7 ms
(Link to these results)