| 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 | 42.8 | Very low | 58.5 | Low | 241 Ų | 241 | 151.8 Ų | 151.8 | 100% | 1.187 | 82% | 0.823 | S | S | * | * | 0 | 93.2 | 0 | -67.6 | -67 | -127 | 0 | 0 | 108.1 | |||||
| 2 | Q | 44.7 | Very low | 58.4 | Low | 200 Ų | 200 | 149.6 Ų | 149.6 | 94% | 0.935 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -93.9 | 121.2 | -176.8 | -136.2 | 170.4 | 18.3 | 0 | 0 | 108.5 | ||
| 3 | T | 47.2 | Very low | 58.9 | Low | 126 Ų | 126 | 146.7 Ų | 146.7 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 132 | 179.3 | 47.4 | 0 | 0 | 0 | 0 | 110.6 | ||
| 4 | P | 53.9 | Low | 59.1 | Low | 123 Ų | 123 | 147.6 Ų | 147.6 | 80% | 0.799 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 135.1 | 179.8 | 27.6 | -31.5 | 0 | 0 | 0 | 110.9 | ||
| 5 | R | 62.7 | Low | 59.3 | Low | 246 Ų | 246 | 151.8 Ų | 151.8 | 93% | 0.928 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -73 | 125.9 | 178.1 | -71.9 | -176.8 | 169.3 | -173.7 | -3.5 | 110.5 | ||
| 6 | T | 62.5 | Low | 59.4 | Low | 136 Ų | 136 | 150.7 Ų | 150.7 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 122.4 | 177.6 | -43.7 | 0 | 0 | 0 | 0 | 110.5 | ||
| 7 | I | 65.9 | Low | 59.6 | Low | 139 Ų | 139 | 148.6 Ų | 148.6 | 71% | 0.713 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 122.2 | 174.7 | -60.4 | 170.9 | 0 | 0 | 0 | 108 | V9 | I7-V9 VanDerWaalsContact C-N 3.32Å; I7-V9 PolarHBondContact O-N 3.33Å |
| 8 | P | 62.7 | Low | 59.8 | Low | 126 Ų | 126 | 150.7 Ų | 150.7 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -78.3 | -6.1 | -168.1 | 27.7 | -33.5 | 0 | 0 | 0 | 115.5 | ||
| 9 | V | 67.5 | Low | 60.1 | Low | 101 Ų | 101 | 143.3 Ų | 143.3 | 61% | 0.612 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -135.5 | 119.6 | 178.7 | -174.7 | 0 | 0 | 0 | 0 | 109.5 | I7 V11 | I7-V9 VanDerWaalsContact C-N 3.32Å; I7-V9 PolarHBondContact O-N 3.33Å; V9-V11 PolarHBondContact O-N 2.91Å; V9-V11 VanDerWaalsContact O-N 3.14Å |
| 10 | P | 65.6 | Low | 60.5 | Low | 119 Ų | 119 | 143.2 Ų | 143.2 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | trans | -68.1 | 113 | 176.3 | 25.5 | -30 | 0 | 0 | 0 | 109.6 | ||||
| 11 | V | 67.9 | Low | 60.7 | Low | 113 Ų | 113 | 141 Ų | 141 | 69% | 0.685 | 76% | 0.756 | S | S | * | * | trans | -72.4 | 123.4 | 171.3 | -179.1 | 0 | 0 | 0 | 0 | 107.7 | V9 V13 | V9-V11 PolarHBondContact O-N 2.91Å; V9-V11 VanDerWaalsContact O-N 3.14Å; V11-V13 PolarHBondContact O-N 3.11Å | ||
| 12 | P | 57 | Low | 61.6 | Low | 125 Ų | 125 | 130.9 Ų | 130.9 | 81% | 0.812 | 71% | 0.713 | S | S | * | * | trans | -66.3 | 102.9 | 174.8 | 26.3 | -31.6 | 0 | 0 | 0 | 108.6 | L14 | P12-L14 PolarHBondContact O-N 2.93Š| ||
| 13 | V | 65 | Low | 62.3 | Low | 112 Ų | 112 | 130.7 Ų | 130.7 | 68% | 0.679 | 71% | 0.709 | S | S | * | * | trans | -78.3 | 102.8 | 172.1 | -175.1 | 0 | 0 | 0 | 0 | 106.9 | V11 R15 | V11-V13 PolarHBondContact O-N 3.11Å; V13-R15 VanDerWaalsContact C-N 3.33Å; V13-R15 HydrophobicContact CG1-CG 4.35Å; V13-R15 PolarHBondContact O-N 2.85Å | ||
| 14 | L | 61.5 | Low | 62.9 | Low | 159 Ų | 159 | 126.6 Ų | 126.6 | 83% | 0.832 | 69% | 0.686 | S | S | * | * | trans | -63.2 | 98.9 | 167.4 | -172.3 | 72.4 | 0 | 0 | 0 | 107.5 | P12 L16 | P12-L14 PolarHBondContact O-N 2.93Å; L14-L16 PolarHBondContact O-N 3.14Å | ||
| 15 | R | 62.2 | Low | 63.2 | Low | 211 Ų | 211 | 131.7 Ų | 131.7 | 80% | 0.796 | 69% | 0.689 | S | S | * | * | trans | -73.2 | 113.4 | 179.7 | -68.8 | -173 | 176.7 | 179.8 | -1.3 | 107.9 | V13 | V13-R15 VanDerWaalsContact C-N 3.33Å; V13-R15 HydrophobicContact CG1-CG 4.35Å; V13-R15 PolarHBondContact O-N 2.85Å | ||
| 16 | L | 62 | Low | 62.9 | Low | 134 Ų | 134 | 122.2 Ų | 122.2 | 70% | 0.702 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 144.6 | 172.5 | -65.1 | 175.5 | 0 | 0 | 0 | 110 | L14 R18 | L14-L16 PolarHBondContact O-N 3.14Å; L16-R18 PolarHBondContact O-N 2.81Å |
| 17 | P | 61.7 | Low | 62.5 | Low | 116 Ų | 116 | 123.8 Ų | 123.8 | 75% | 0.753 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 137 | 178.7 | 21 | -30.8 | 0 | 0 | 0 | 110.4 | ||
| 18 | R | 63.7 | Low | 62.1 | Low | 186 Ų | 186 | 120.1 Ų | 120.1 | 70% | 0.702 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 148.1 | 178.3 | -62.5 | -169.3 | -178.2 | 173 | 0.1 | 109.7 | L16 G22 | L16-R18 PolarHBondContact O-N 2.81Å; R18-G22 VanDerWaalsContact CD-O 3.27Å; R18-G22 WeakPolarHBondContact CD-O 3.48Å |
| 19 | G | 66.2 | Low | 61.6 | Low | 9 Ų | 9 | 120.3 Ų | 120.3 | 9% | 0.093 | 66% | 0.656 | C | S | . | * | P | Polyproline II helix | trans | -62.8 | 168.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112.3 | D21 G22 S24 | G19-D21 PolarHBondContact O-N 2.88Å; G19-G22 PolarHBondContact O-N 3.27Å; G19-S24 PolarHBondContact N-O 3.29Å |
| 20 | P | 66.4 | Low | 61 | Low | 142 Ų | 142 | 123 Ų | 123 | 92% | 0.922 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.8 | -19.4 | -170.9 | 22 | -32.7 | 0 | 0 | 0 | 115.1 | ||
| 21 | D | 65.1 | Low | 60.5 | Low | 97 Ų | 97 | 119.1 Ų | 119.1 | 52% | 0.519 | 65% | 0.648 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.6 | 0.4 | 176.8 | 60.6 | -3.7 | 0 | 0 | 0 | 113.6 | G19 F23 S24 | G19-D21 PolarHBondContact O-N 2.88Å; D21-F23 VanDerWaalsContact O-CD2 3.26Å; D21-F23 WeakPolarHBondContact O-CD2 3.43Å; D21-F23 PolarHBondContact O-N 2.86Å; D21-F23 VanDerWaalsContact O-N 3.14Å; D21-F23 PolarHBondContact OD1-N 3.19Å; D21-S24 VanDerWaalsContact CG-OG 3.28Å; D21-S24 WeakPolarHBondContact OD1-CB 3.36Å; D21-S24 PolarHBondContact OD1-N 3.29Å; D21-S24 PolarHBondContact OD1-OG 3.46Å; D21-S24 WeakPolarHBondContact OD2-CB 3.44Å; D21-S24 PolarHBondContact OD2-OG 2.75Å |
| 22 | G | 61.6 | Low | 59.8 | Low | 28 Ų | 28 | 125.2 Ų | 125.2 | 29% | 0.289 | 66% | 0.659 | S | S | . | * | S | Bend | trans | 75.9 | -7.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | R18 G19 | R18-G22 VanDerWaalsContact CD-O 3.27Å; R18-G22 WeakPolarHBondContact CD-O 3.48Å; G19-G22 PolarHBondContact O-N 3.27Å |
| 23 | F | 59.8 | Low | 59.7 | Low | 196 Ų | 196 | 129.9 Ų | 129.9 | 86% | 0.86 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -123.3 | -22.5 | -179.5 | -61.5 | -77.4 | 0 | 0 | 0 | 113.6 | D21 | D21-F23 VanDerWaalsContact O-CD2 3.26Å; D21-F23 WeakPolarHBondContact O-CD2 3.43Å; D21-F23 PolarHBondContact O-N 2.86Å; D21-F23 VanDerWaalsContact O-N 3.14Å; D21-F23 PolarHBondContact OD1-N 3.19Å |
| 24 | S | 59.7 | Low | 59.1 | Low | 41 Ų | 41 | 128.8 Ų | 128.8 | 29% | 0.287 | 66% | 0.663 | S | S | . | * | S | Bend | trans | -83.1 | 154.4 | 178.5 | 70.3 | 0 | 0 | 0 | 0 | 112.6 | G19 D21 G26 | G19-S24 PolarHBondContact N-O 3.29Å; D21-S24 VanDerWaalsContact CG-OG 3.28Å; D21-S24 WeakPolarHBondContact OD1-CB 3.36Å; D21-S24 PolarHBondContact OD1-N 3.29Å; D21-S24 PolarHBondContact OD1-OG 3.46Å; D21-S24 WeakPolarHBondContact OD2-CB 3.44Å; D21-S24 PolarHBondContact OD2-OG 2.75Å; S24-G26 VanDerWaalsContact C-N 3.25Å; S24-G26 PolarHBondContact O-N 3.47Å |
| 25 | R | 60.9 | Low | 58.6 | Low | 229 Ų | 229 | 128.4 Ų | 128.4 | 86% | 0.864 | 66% | 0.661 | S | S | * | * | trans | -87.2 | 27.5 | 175.9 | -67.9 | -173 | 176.4 | -167.5 | 0.2 | 113.3 | F27 | R25-F27 WeakPolarHBondContact O-CD2 3.49Å; R25-F27 PolarHBondContact O-N 3.33Å | ||
| 26 | G | 55.7 | Low | 58 | Low | 48 Ų | 48 | 126.2 Ų | 126.2 | 50% | 0.495 | 66% | 0.664 | S | S | . | * | S | Bend | trans | 65.9 | 2.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | S24 | S24-G26 VanDerWaalsContact C-N 3.25Å; S24-G26 PolarHBondContact O-N 3.47Å |
| 27 | F | 55.2 | Low | 57.4 | Low | 169 Ų | 169 | 130.1 Ų | 130.1 | 74% | 0.741 | 67% | 0.669 | S | S | * | * | trans | -120.5 | 77.9 | 177.8 | -69 | -81.9 | 0 | 0 | 0 | 109.6 | R25 | R25-F27 WeakPolarHBondContact O-CD2 3.49Å; R25-F27 PolarHBondContact O-N 3.33Å | ||
| 28 | A | 56.2 | Low | 56.7 | Low | 61 Ų | 61 | 130.1 Ų | 130.1 | 50% | 0.504 | 67% | 0.669 | S | S | . | * | trans | -87.9 | 128.2 | 162.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | D30 G31 | A28-D30 PolarHBondContact O-N 3.21Å; A28-G31 PolarHBondContact O-N 2.83Å; A28-G31 VanDerWaalsContact O-N 3.08Å | ||
| 29 | P | 53 | Low | 55.6 | Low | 131 Ų | 131 | 130.9 Ų | 130.9 | 85% | 0.851 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | -32.2 | -179.8 | 23.8 | -31.3 | 0 | 0 | 0 | 112 | ||
| 30 | D | 53.7 | Low | 54.6 | Low | 157 Ų | 157 | 135 Ų | 135 | 84% | 0.84 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | -0.3 | 175.5 | -57.5 | -34.9 | 0 | 0 | 0 | 113.1 | A28 R32 | A28-D30 PolarHBondContact O-N 3.21Å; D30-R32 PolarHBondContact O-N 3.36Å; D30-R32 VanDerWaalsContact O-N 3.07Å |
| 31 | G | 55.2 | Low | 53.7 | Low | 38 Ų | 38 | 134.7 Ų | 134.7 | 39% | 0.392 | 71% | 0.707 | S | S | . | * | trans | -71.4 | 106.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 109 | A28 R33 | A28-G31 PolarHBondContact O-N 2.83Å; A28-G31 VanDerWaalsContact O-N 3.08Å; G31-R33 PolarHBondContact O-N 3.28Å | ||
| 32 | R | 54.5 | Low | 52.7 | Low | 241 Ų | 241 | 138.6 Ų | 138.6 | 91% | 0.909 | 72% | 0.722 | S | S | * | * | trans | -47.4 | 109.3 | 164.4 | -72.4 | -176.2 | 175.6 | -175.3 | -1.1 | 107 | D30 A34 | D30-R32 PolarHBondContact O-N 3.36Å; D30-R32 VanDerWaalsContact O-N 3.07Å; R32-A34 VanDerWaalsContact C-N 3.33Å; R32-A34 PolarHBondContact O-N 3.29Å | ||
| 33 | R | 53.7 | Low | 52.1 | Low | 223 Ų | 223 | 144.2 Ų | 144.2 | 84% | 0.842 | 75% | 0.75 | S | S | * | * | trans | -52.6 | 106.7 | 169.5 | -72.8 | -179.6 | 174.9 | 175.2 | -1.2 | 105 | G31 L35 | G31-R33 PolarHBondContact O-N 3.28Å; R33-L35 PolarHBondContact O-N 2.84Å | ||
| 34 | A | 52.4 | Low | 51.3 | Low | 88 Ų | 88 | 137.7 Ų | 137.7 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | trans | -64.4 | 96.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 105.1 | R32 L36 | R32-A34 VanDerWaalsContact C-N 3.33Å; R32-A34 PolarHBondContact O-N 3.29Å; A34-L36 PolarHBondContact O-N 2.91Å | ||
| 35 | L | 51.7 | Low | 50.8 | Low | 152 Ų | 152 | 145.4 Ų | 145.4 | 80% | 0.796 | 77% | 0.77 | S | S | * | * | trans | -52.2 | 105.9 | 154.3 | -106.2 | 133 | 0 | 0 | 0 | 103.5 | R33 R37 | R33-L35 PolarHBondContact O-N 2.84Å; L35-R37 PolarHBondContact O-N 3.2Å | ||
| 36 | L | 48.9 | Very low | 50.4 | Low | 165 Ų | 165 | 137.7 Ų | 137.7 | 86% | 0.864 | 76% | 0.762 | S | S | * | * | trans | -61.1 | 81.5 | 162.3 | -74.8 | 166.6 | 0 | 0 | 0 | 105.3 | A34 P38 | A34-L36 PolarHBondContact O-N 2.91Å; L36-P38 VanDerWaalsContact O-CD 3.27Å; L36-P38 WeakPolarHBondContact O-CD 3.25Å | ||
| 37 | R | 49.6 | Very low | 50.5 | Low | 215 Ų | 215 | 141.8 Ų | 141.8 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | trans | -64.2 | 115.7 | 160.4 | -90.3 | -174.6 | 172.5 | 169.7 | -2.6 | 104.2 | L35 K39 | L35-R37 PolarHBondContact O-N 3.2Å; R37-K39 PolarHBondContact O-N 2.82Å | ||
| 38 | P | 46.6 | Very low | 51.2 | Low | 116 Ų | 116 | 141.6 Ų | 141.6 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | trans | -55.7 | 136.7 | 164.9 | 23.5 | -26.7 | 0 | 0 | 0 | 106.5 | L36 A40 | L36-P38 VanDerWaalsContact O-CD 3.27Å; L36-P38 WeakPolarHBondContact O-CD 3.25Å; P38-A40 PolarHBondContact O-N 2.87Å | ||
| 39 | K | 40.8 | Very low | 52 | Low | 202 Ų | 202 | 142.4 Ų | 142.4 | 88% | 0.878 | 77% | 0.774 | S | S | * | * | trans | -37.6 | 114.6 | -178.5 | -93.4 | -175 | 169 | -177 | 0 | 109.9 | R37 T41 | R37-K39 PolarHBondContact O-N 2.82Å; K39-T41 PolarHBondContact O-N 3.37Å | ||
| 40 | A | 46.6 | Very low | 53.5 | Low | 95 Ų | 95 | 140 Ų | 140 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | trans | -60.4 | 105.1 | 172 | 0 | 0 | 0 | 0 | 0 | 107.7 | P38 | P38-A40 PolarHBondContact O-N 2.87Š| ||
| 41 | T | 45.8 | Very low | 55 | Low | 137 Ų | 137 | 137.3 Ų | 137.3 | 84% | 0.84 | 75% | 0.75 | S | S | * | * | trans | -83.6 | 138.8 | 151.2 | -49.5 | 0 | 0 | 0 | 0 | 105.7 | K39 | K39-T41 PolarHBondContact O-N 3.37Š| ||
| 42 | E | 46 | Very low | 56.7 | Low | 179 Ų | 179 | 141.9 Ų | 141.9 | 84% | 0.836 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -63.2 | 138 | -158.8 | -56.7 | 177.1 | 175.6 | 0 | 0 | 113.2 | ||
| 43 | V | 48.7 | Very low | 58.6 | Low | 146 Ų | 146 | 135.5 Ų | 135.5 | 89% | 0.885 | 74% | 0.74 | S | S | * | * | trans | 21.2 | 99.2 | 161 | -167.2 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 44 | G | 41.7 | Very low | 60.4 | Low | 59 Ų | 59 | 129.5 Ų | 129.5 | 61% | 0.608 | 72% | 0.722 | S | S | * | * | trans | -131.9 | 121.7 | 148.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | G46 | G44-G46 PolarHBondContact O-N 2.88Š| ||
| 45 | E | 49.4 | Very low | 62.4 | Low | 202 Ų | 202 | 129.9 Ų | 129.9 | 94% | 0.944 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -52.1 | 130.1 | 170.4 | -66.5 | 178 | 146.9 | 0 | 0 | 109.7 | ||
| 46 | G | 53.1 | Low | 64.6 | Low | 67 Ų | 67 | 127.1 Ų | 127.1 | 69% | 0.691 | 69% | 0.692 | S | S | * | * | trans | 105.4 | 42.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | G44 Q48 | G44-G46 PolarHBondContact O-N 2.88Å; G46-Q48 PolarHBondContact O-N 2.81Å | ||
| 47 | T | 57.8 | Low | 66.8 | Low | 134 Ų | 134 | 127.6 Ų | 127.6 | 82% | 0.822 | 68% | 0.682 | S | S | * | * | trans | -67.1 | 88.9 | 162.6 | -45.5 | 0 | 0 | 0 | 0 | 108.5 | D49 | T47-D49 PolarHBondContact O-N 2.98Š| ||
| 48 | Q | 68.9 | Low | 69.1 | Low | 165 Ų | 165 | 119.8 Ų | 119.8 | 77% | 0.771 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 129.6 | 171.2 | -67.5 | -177.8 | -27.2 | 0 | 0 | 107.8 | G46 | G46-Q48 PolarHBondContact O-N 2.81Š|
| 49 | D | 73.4 | Confident | 71.5 | Confident | 78 Ų | 78 | 120.2 Ų | 120.2 | 42% | 0.417 | 65% | 0.65 | S | S | . | * | P | Polyproline II helix | trans | -50.4 | 142.3 | 171.7 | -75.4 | -36.6 | 0 | 0 | 0 | 109 | T47 F53 Q54 | T47-D49 PolarHBondContact O-N 2.98Å; D49-F53 HydrophobicContact CB-CB 4.29Å; D49-F53 HydrophobicContact CB-CD1 3.58Å; D49-F53 HydrophobicContact CB-CE1 4.33Å; D49-F53 HydrophobicContact CB-CG 4.31Å; D49-F53 VanDerWaalsContact CG-CD1 3.43Å; D49-F53 WeakPolarHBondContact OD2-CD1 3.47Å; D49-F53 WeakPolarHBondContact OD2-CE1 3.43Å; D49-Q54 HydrophobicContact CB-CG 3.82Å; D49-Q54 PolarHBondContact O-NE2 2.87Å |
| 50 | P | 83.9 | Confident | 74.2 | Confident | 81 Ų | 81 | 113.4 Ų | 113.4 | 53% | 0.526 | 63% | 0.631 | S | S | . | * | P | Polyproline II helix | trans | -49.5 | 144.1 | 176.3 | -22.4 | 29.8 | 0 | 0 | 0 | 110.4 | E52 F53 Q54 | P50-E52 PolarHBondContact O-N 2.83Å; P50-E52 VanDerWaalsContact O-N 3.12Å; P50-F53 WeakPolarHBondContact O-CA 3.46Å; P50-F53 WeakPolarHBondContact O-CB 3.47Å; P50-F53 PolarHBondContact O-N 2.86Å; P50-Q54 PolarHBondContact O-N 3.44Å |
| 51 | P | 86.4 | Confident | 76.6 | Confident | 101 Ų | 101 | 111.1 Ų | 111.1 | 66% | 0.656 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -54.8 | -38.1 | -175.8 | 20.8 | -32.3 | 0 | 0 | 0 | 112.1 | F53 Q54 E55 | P51-F53 VanDerWaalsContact C-N 3.34Å; P51-F53 PolarHBondContact O-N 3.2Å; P51-Q54 PolarHBondContact O-N 2.93Å; P51-E55 WeakPolarHBondContact O-CG 3.48Å; P51-E55 PolarHBondContact O-N 3.09Å |
| 52 | E | 91.4 | Very high | 79.1 | Confident | 134 Ų | 134 | 110 Ų | 110 | 63% | 0.626 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -59.9 | -40.3 | 174.8 | -173.6 | -178.5 | -178.4 | 0 | 0 | 112.9 | P50 E55 Q56 | P50-E52 PolarHBondContact O-N 2.83Å; P50-E52 VanDerWaalsContact O-N 3.12Å; E52-E55 PolarHBondContact O-N 3.48Å; E52-Q56 VanDerWaalsContact O-CG 3.3Å; E52-Q56 WeakPolarHBondContact O-CG 3.25Å; E52-Q56 PolarHBondContact O-N 2.8Å |
| 53 | F | 92.6 | Very high | 81.5 | Confident | 107 Ų | 107 | 105.6 Ų | 105.6 | 47% | 0.469 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -66.6 | -41.1 | 178.5 | -177.3 | -93.7 | 0 | 0 | 0 | 111.3 | D49 P50 P51 Q56 R57 | D49-F53 HydrophobicContact CB-CB 4.29Å; D49-F53 HydrophobicContact CB-CD1 3.58Å; D49-F53 HydrophobicContact CB-CE1 4.33Å; D49-F53 HydrophobicContact CB-CG 4.31Å; D49-F53 VanDerWaalsContact CG-CD1 3.43Å; D49-F53 WeakPolarHBondContact OD2-CD1 3.47Å; D49-F53 WeakPolarHBondContact OD2-CE1 3.43Å; P50-F53 WeakPolarHBondContact O-CA 3.46Å; P50-F53 WeakPolarHBondContact O-CB 3.47Å; P50-F53 PolarHBondContact O-N 2.86Å; P51-F53 VanDerWaalsContact C-N 3.34Å; P51-F53 PolarHBondContact O-N 3.2Å; F53-Q56 PolarHBondContact O-N 3.47Å; F53-R57 WeakPolarHBondContact O-CB 3.33Å; F53-R57 PolarHBondContact O-N 2.73Å |
| 54 | Q | 92.3 | Very high | 83.8 | Confident | 96 Ų | 96 | 103.1 Ų | 103.1 | 45% | 0.449 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64 | -42.1 | 175.5 | -60.5 | -173.4 | 23.1 | 0 | 0 | 111.3 | D49 P50 P51 R57 A58 | D49-Q54 HydrophobicContact CB-CG 3.82Å; D49-Q54 PolarHBondContact O-NE2 2.87Å; P50-Q54 PolarHBondContact O-N 3.44Å; P51-Q54 PolarHBondContact O-N 2.93Å; Q54-R57 PolarHBondContact O-N 3Å; Q54-A58 WeakPolarHBondContact O-CB 3.11Å; Q54-A58 PolarHBondContact O-N 2.89Å |
| 55 | E | 95.1 | Very high | 86.5 | Confident | 97 Ų | 97 | 108.9 Ų | 108.9 | 45% | 0.453 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -60.5 | -45.6 | 174.6 | -75 | 179.4 | -164.1 | 0 | 0 | 112.2 | P51 E52 R57 A58 R59 | P51-E55 WeakPolarHBondContact O-CG 3.48Å; P51-E55 PolarHBondContact O-N 3.09Å; E52-E55 PolarHBondContact O-N 3.48Å; E55-R57 VanDerWaalsContact C-N 3.31Å; E55-R57 PolarHBondContact O-N 2.82Å; E55-A58 PolarHBondContact O-N 2.89Å; E55-R59 WeakPolarHBondContact O-CG 3.47Å; E55-R59 PolarHBondContact O-N 3.2Å; E55-R59 IonicContact OE2-CZ 3.91Å; E55-R59 IonicContact OE2-NH1 2.81Å; E55-R59 IonicContact OE2-NH2 3.67Å; E55-R59 PolarHBondContact OE2-NH2 2.74Å |
| 56 | Q | 96.9 | Very high | 88.7 | Confident | 94 Ų | 94 | 102.7 Ų | 102.7 | 44% | 0.439 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.2 | -38.8 | 178.3 | -67.5 | -62.2 | -3.3 | 0 | 0 | 111.6 | E52 F53 R59 A60 | E52-Q56 VanDerWaalsContact O-CG 3.3Å; E52-Q56 WeakPolarHBondContact O-CG 3.25Å; E52-Q56 PolarHBondContact O-N 2.8Å; F53-Q56 PolarHBondContact O-N 3.47Å; Q56-R59 VanDerWaalsContact CD-NH1 3.31Å; Q56-R59 PolarHBondContact O-N 3.3Å; Q56-A60 WeakPolarHBondContact O-CB 3.47Å; Q56-A60 PolarHBondContact O-N 2.8Å |
| 57 | R | 96.5 | Very high | 90.6 | Very high | 174 Ų | 174 | 103.1 Ų | 103.1 | 66% | 0.657 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.9 | -42.7 | 173.9 | -170.9 | 176.6 | -173.5 | 137.5 | 2.7 | 111.7 | F53 Q54 E55 A60 A61 | F53-R57 WeakPolarHBondContact O-CB 3.33Å; F53-R57 PolarHBondContact O-N 2.73Å; Q54-R57 PolarHBondContact O-N 3Å; E55-R57 VanDerWaalsContact C-N 3.31Å; E55-R57 PolarHBondContact O-N 2.82Å; R57-A60 PolarHBondContact O-N 3.35Å; R57-A61 WeakPolarHBondContact O-CB 3.44Å; R57-A61 PolarHBondContact O-N 3.46Å |
| 58 | A | 96.6 | Very high | 92.4 | Very high | 52 Ų | 52 | 104.1 Ų | 104.1 | 43% | 0.43 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.8 | -45.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q54 E55 A60 A61 L62 | Q54-A58 WeakPolarHBondContact O-CB 3.11Å; Q54-A58 PolarHBondContact O-N 2.89Å; E55-A58 PolarHBondContact O-N 2.89Å; A58-A60 PolarHBondContact O-N 3.45Å; A58-A61 PolarHBondContact O-N 3.28Å; A58-L62 WeakPolarHBondContact O-CG 3.45Å; A58-L62 PolarHBondContact O-N 3.42Å |
| 59 | R | 97.3 | Very high | 93.6 | Very high | 125 Ų | 125 | 98.4 Ų | 98.4 | 47% | 0.472 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -58.4 | -46 | 174.8 | -72.2 | 176.4 | -167.8 | 131.2 | 12.2 | 111.4 | E55 Q56 L62 R63 | E55-R59 WeakPolarHBondContact O-CG 3.47Å; E55-R59 PolarHBondContact O-N 3.2Å; E55-R59 IonicContact OE2-CZ 3.91Å; E55-R59 IonicContact OE2-NH1 2.81Å; E55-R59 IonicContact OE2-NH2 3.67Å; E55-R59 PolarHBondContact OE2-NH2 2.74Å; Q56-R59 VanDerWaalsContact CD-NH1 3.31Å; Q56-R59 PolarHBondContact O-N 3.3Å; R59-L62 PolarHBondContact O-N 3.35Å; R59-R63 VanDerWaalsContact O-CB 3.24Å; R59-R63 WeakPolarHBondContact O-CB 3.42Å; R59-R63 PolarHBondContact O-N 2.71Å |
| 60 | A | 97.3 | Very high | 94.6 | Very high | 58 Ų | 58 | 95.2 Ų | 95.2 | 48% | 0.479 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.6 | -46.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q56 R57 A58 L62 R63 E64 | Q56-A60 WeakPolarHBondContact O-CB 3.47Å; Q56-A60 PolarHBondContact O-N 2.8Å; R57-A60 PolarHBondContact O-N 3.35Å; A58-A60 PolarHBondContact O-N 3.45Å; A60-L62 PolarHBondContact O-N 3.12Å; A60-R63 PolarHBondContact O-N 2.8Å; A60-E64 WeakPolarHBondContact O-CB 3.5Å; A60-E64 PolarHBondContact O-N 3.01Å |
| 61 | A | 97.9 | Very high | 95.1 | Very high | 47 Ų | 47 | 97.7 Ų | 97.7 | 39% | 0.388 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.8 | -41.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | R57 A58 R65 | R57-A61 WeakPolarHBondContact O-CB 3.44Å; R57-A61 PolarHBondContact O-N 3.46Å; A58-A61 PolarHBondContact O-N 3.28Å; A61-R65 WeakPolarHBondContact O-CG 3.45Å; A61-R65 PolarHBondContact O-N 3.36Å; A61-R65 VanDerWaalsContact O-N 3.14Å |
| 62 | L | 97.8 | Very high | 95.5 | Very high | 114 Ų | 114 | 94.3 Ų | 94.3 | 60% | 0.597 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -64.5 | -43.9 | 174.6 | -71.8 | 172.6 | 0 | 0 | 0 | 111.3 | A58 R59 A60 R65 Y66 | A58-L62 WeakPolarHBondContact O-CG 3.45Å; A58-L62 PolarHBondContact O-N 3.42Å; R59-L62 PolarHBondContact O-N 3.35Å; A60-L62 PolarHBondContact O-N 3.12Å; L62-R65 PolarHBondContact O-N 2.86Å; L62-Y66 WeakPolarHBondContact O-CB 3.44Å; L62-Y66 PolarHBondContact O-N 3.29Å |
| 63 | R | 96.3 | Very high | 95.6 | Very high | 87 Ų | 87 | 88 Ų | 88 | 33% | 0.328 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.9 | -43.2 | 178.2 | -175.7 | 59.3 | 173.7 | -177.3 | -0.3 | 111.6 | R59 A60 Y66 L67 L97 | R59-R63 VanDerWaalsContact O-CB 3.24Å; R59-R63 WeakPolarHBondContact O-CB 3.42Å; R59-R63 PolarHBondContact O-N 2.71Å; A60-R63 PolarHBondContact O-N 2.8Å; R63-Y66 PolarHBondContact O-N 3.44Å; R63-L67 HydrophobicContact CG-CD1 4.17Å; R63-L67 HydrophobicContact CG-CG 4.37Å; R63-L67 WeakPolarHBondContact O-CB 3.48Å; R63-L67 VanDerWaalsContact O-CG 3.29Å; R63-L67 WeakPolarHBondContact O-CG 3.35Å; R63-L67 PolarHBondContact O-N 3.11Å; R63-L97 PolarHBondContact NH2-O 2.77Å |
| 64 | E | 97.6 | Very high | 95.5 | Very high | 93 Ų | 93 | 86.8 Ų | 86.8 | 44% | 0.435 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -59.3 | -47.6 | 176.5 | -178.7 | -174.3 | 163.5 | 0 | 0 | 111.6 | A60 Y66 L67 R68 | A60-E64 WeakPolarHBondContact O-CB 3.5Å; A60-E64 PolarHBondContact O-N 3.01Å; E64-Y66 VanDerWaalsContact C-N 3.32Å; E64-Y66 PolarHBondContact O-N 2.81Å; E64-L67 PolarHBondContact O-N 2.85Å; E64-R68 WeakPolarHBondContact O-CG 3.39Å; E64-R68 PolarHBondContact O-N 3.27Å; E64-R68 IonicContact OE1-CZ 2.99Å; E64-R68 IonicContact OE1-NH1 2.66Å; E64-R68 PolarHBondContact OE1-NH1 3Å; E64-R68 IonicContact OE1-NH2 2.65Å; E64-R68 PolarHBondContact OE1-NH2 2.92Å |
| 65 | R | 97.4 | Very high | 95.2 | Very high | 180 Ų | 180 | 85.2 Ų | 85.2 | 68% | 0.679 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -61.4 | -42.3 | 176.6 | -70.5 | 175.2 | 67.3 | -172.2 | 0.6 | 111.7 | A61 L62 R68 S69 | A61-R65 WeakPolarHBondContact O-CG 3.45Å; A61-R65 PolarHBondContact O-N 3.36Å; A61-R65 VanDerWaalsContact O-N 3.14Å; L62-R65 PolarHBondContact O-N 2.86Å; R65-R68 PolarHBondContact O-N 3.42Å; R65-S69 PolarHBondContact O-N 3.48Å |
| 66 | Y | 95 | Very high | 95.1 | Very high | 73 Ų | 73 | 83.4 Ų | 83.4 | 29% | 0.286 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.5 | -48.1 | 176.5 | 176.6 | -110.3 | 0 | 0 | 0 | 112 | L62 R63 E64 R68 S69 L70 V99 | L62-Y66 WeakPolarHBondContact O-CB 3.44Å; L62-Y66 PolarHBondContact O-N 3.29Å; R63-Y66 PolarHBondContact O-N 3.44Å; E64-Y66 VanDerWaalsContact C-N 3.32Å; E64-Y66 PolarHBondContact O-N 2.81Å; Y66-R68 VanDerWaalsContact C-N 3.33Å; Y66-R68 PolarHBondContact O-N 2.63Å; Y66-S69 WeakPolarHBondContact O-CA 3.4Å; Y66-S69 WeakPolarHBondContact O-CB 3.46Å; Y66-S69 PolarHBondContact O-N 3.4Å; Y66-S69 PolarHBondContact O-OG 2.97Å; Y66-L70 HydrophobicContact CD1-CD1 4.19Å; Y66-L70 HydrophobicContact CE1-CD1 3.75Å; Y66-L70 HydrophobicContact CE1-CG 4.34Å; Y66-L70 HydrophobicContact CE2-CD2 4.38Å; Y66-L70 PolarHBondContact O-N 3.4Å; Y66-L70 VanDerWaalsContact O-N 3.07Å; Y66-V99 HydrophobicContact CE1-CB 4.45Å; Y66-V99 HydrophobicContact CE1-CG2 3.74Å; Y66-V99 WeakPolarHBondContact OH-CG1 3.34Å |
| 67 | L | 94.8 | Very high | 95 | Very high | 75 Ų | 75 | 82.4 Ų | 82.4 | 39% | 0.393 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.2 | -38.9 | 176.7 | -68.7 | 176.9 | 0 | 0 | 0 | 112.5 | R63 E64 S69 L70 L71 | R63-L67 HydrophobicContact CG-CD1 4.17Å; R63-L67 HydrophobicContact CG-CG 4.37Å; R63-L67 WeakPolarHBondContact O-CB 3.48Å; R63-L67 VanDerWaalsContact O-CG 3.29Å; R63-L67 WeakPolarHBondContact O-CG 3.35Å; R63-L67 PolarHBondContact O-N 3.11Å; E64-L67 PolarHBondContact O-N 2.85Å; L67-S69 VanDerWaalsContact C-N 3.28Å; L67-S69 PolarHBondContact O-N 2.98Å; L67-L70 HydrophobicContact CD2-CD1 4.01Å; L67-L70 PolarHBondContact O-N 3.14Å; L67-L71 PolarHBondContact O-N 2.87Å |
| 68 | R | 95.6 | Very high | 95.1 | Very high | 155 Ų | 155 | 74.1 Ų | 74.1 | 59% | 0.585 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -62.4 | -36.5 | 172.9 | -76 | -170.1 | 179.5 | 118.3 | 7.2 | 112.3 | E64 R65 Y66 L71 A72 | E64-R68 WeakPolarHBondContact O-CG 3.39Å; E64-R68 PolarHBondContact O-N 3.27Å; E64-R68 IonicContact OE1-CZ 2.99Å; E64-R68 IonicContact OE1-NH1 2.66Å; E64-R68 PolarHBondContact OE1-NH1 3Å; E64-R68 IonicContact OE1-NH2 2.65Å; E64-R68 PolarHBondContact OE1-NH2 2.92Å; R65-R68 PolarHBondContact O-N 3.42Å; Y66-R68 VanDerWaalsContact C-N 3.33Å; Y66-R68 PolarHBondContact O-N 2.63Å; R68-L71 PolarHBondContact O-N 3.34Å; R68-A72 WeakPolarHBondContact O-CB 3.4Å; R68-A72 PolarHBondContact O-N 3.34Å |
| 69 | S | 94 | Very high | 95.1 | Very high | 45 Ų | 45 | 74.1 Ų | 74.1 | 32% | 0.315 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -66.8 | -37.4 | 176.2 | 78.9 | 0 | 0 | 0 | 0 | 112.4 | R65 Y66 L67 A72 M73 | R65-S69 PolarHBondContact O-N 3.48Å; Y66-S69 WeakPolarHBondContact O-CA 3.4Å; Y66-S69 WeakPolarHBondContact O-CB 3.46Å; Y66-S69 PolarHBondContact O-N 3.4Å; Y66-S69 PolarHBondContact O-OG 2.97Å; L67-S69 VanDerWaalsContact C-N 3.28Å; L67-S69 PolarHBondContact O-N 2.98Å; S69-A72 PolarHBondContact O-N 3.18Å; S69-M73 PolarHBondContact O-N 3.21Å |
| 70 | L | 94 | Very high | 95.1 | Very high | 11 Ų | 11 | 68.2 Ų | 68.2 | 6% | 0.058 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.1 | -44.1 | 173 | -62.1 | 172 | 0 | 0 | 0 | 111.8 | Y66 L67 A72 M73 T95 V99 | Y66-L70 HydrophobicContact CD1-CD1 4.19Å; Y66-L70 HydrophobicContact CE1-CD1 3.75Å; Y66-L70 HydrophobicContact CE1-CG 4.34Å; Y66-L70 HydrophobicContact CE2-CD2 4.38Å; Y66-L70 PolarHBondContact O-N 3.4Å; Y66-L70 VanDerWaalsContact O-N 3.07Å; L67-L70 HydrophobicContact CD2-CD1 4.01Å; L67-L70 PolarHBondContact O-N 3.14Å; L70-A72 VanDerWaalsContact C-N 3.26Å; L70-A72 PolarHBondContact O-N 3.25Å; L70-M73 HydrophobicContact CB-CE 4.32Å; L70-M73 HydrophobicContact CD2-CE 3.38Å; L70-M73 HydrophobicContact CG-CE 4.4Å; L70-M73 WeakPolarHBondContact O-CB 3.45Å; L70-M73 PolarHBondContact O-N 3.43Å; L70-T95 HydrophobicContact CD1-CG2 3.84Å; L70-T95 HydrophobicContact CD2-CG2 4.26Å; L70-T95 HydrophobicContact CG-CG2 4.45Å; L70-V99 HydrophobicContact CD1-CG2 3.82Å |
| 71 | L | 93.6 | Very high | 95.1 | Very high | 133 Ų | 133 | 67.2 Ų | 67.2 | 70% | 0.696 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -63 | -36.3 | 177.2 | -169.2 | 146.9 | 0 | 0 | 0 | 111.5 | L67 R68 M73 V74 | L67-L71 PolarHBondContact O-N 2.87Å; R68-L71 PolarHBondContact O-N 3.34Å; L71-M73 PolarHBondContact O-N 2.84Å; L71-V74 WeakPolarHBondContact O-CB 3.26Å; L71-V74 WeakPolarHBondContact O-CG2 3.1Å; L71-V74 PolarHBondContact O-N 2.96Å |
| 72 | A | 94.6 | Very high | 95.1 | Very high | 31 Ų | 31 | 66.2 Ų | 66.2 | 26% | 0.256 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -69 | -19.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | R68 S69 L70 V74 H76 F129 L131 | R68-A72 WeakPolarHBondContact O-CB 3.4Å; R68-A72 PolarHBondContact O-N 3.34Å; S69-A72 PolarHBondContact O-N 3.18Å; L70-A72 VanDerWaalsContact C-N 3.26Å; L70-A72 PolarHBondContact O-N 3.25Å; A72-V74 VanDerWaalsContact C-N 3.27Å; A72-V74 PolarHBondContact O-N 3.29Å; A72-H76 PolarHBondContact O-ND1 3.07Å; A72-H76 VanDerWaalsContact O-ND1 3.17Å; A72-F129 HydrophobicContact CB-CE2 4.34Å; A72-F129 HydrophobicContact CB-CZ 4.32Å; A72-L131 HydrophobicContact CB-CD2 3.53Å |
| 73 | M | 94.3 | Very high | 95 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -20.8 | 172.6 | -71.6 | -166.9 | -72.2 | 0 | 0 | 113.5 | S69 L70 L71 G75 H76 V78 F92 F102 Y127 F129 | S69-M73 PolarHBondContact O-N 3.21Å; L70-M73 HydrophobicContact CB-CE 4.32Å; L70-M73 HydrophobicContact CD2-CE 3.38Å; L70-M73 HydrophobicContact CG-CE 4.4Å; L70-M73 WeakPolarHBondContact O-CB 3.45Å; L70-M73 PolarHBondContact O-N 3.43Å; L71-M73 PolarHBondContact O-N 2.84Å; M73-G75 PolarHBondContact O-N 3.45Å; M73-H76 WeakPolarHBondContact O-CB 3.4Å; M73-H76 PolarHBondContact O-N 2.88Å; M73-V78 HydrophobicContact CB-CG2 4.26Å; M73-V78 HydrophobicContact CG-CG2 4.32Å; M73-V78 HydrophobicContact SD-CG1 4.22Å; M73-V78 HydrophobicContact SD-CG2 3.97Å; M73-F92 HydrophobicContact CB-CB 4.24Å; M73-F92 HydrophobicContact CB-CD1 3.65Å; M73-F92 HydrophobicContact CB-CE1 4.12Å; M73-F92 HydrophobicContact CB-CG 3.92Å; M73-F92 HydrophobicContact CE-CD2 4.34Å; M73-F92 HydrophobicContact CE-CE2 4.1Å; M73-F92 HydrophobicContact CE-CZ 4.23Å; M73-F102 HydrophobicContact CE-CE1 4.21Å; M73-Y127 HydrophobicContact CE-CD2 4.33Å; M73-Y127 HydrophobicContact CE-CE2 3.73Å; M73-Y127 HydrophobicContact SD-CD2 3.69Å; M73-Y127 HydrophobicContact SD-CE2 3.55Å; M73-Y127 VanDerWaalsContact SD-CE2 3.55Å; M73-F129 HydrophobicContact CB-CD2 4.39Å; M73-F129 HydrophobicContact CB-CE2 4.29Å; M73-F129 HydrophobicContact CB-CZ 4.4Å; M73-F129 HydrophobicContact CG-CD1 3.38Å; M73-F129 HydrophobicContact CG-CD2 3.78Å; M73-F129 HydrophobicContact CG-CE1 3.25Å; M73-F129 HydrophobicContact CG-CE2 3.63Å; M73-F129 HydrophobicContact CG-CG 3.65Å; M73-F129 HydrophobicContact CG-CZ 3.37Å; M73-F129 HydrophobicContact SD-CD1 3.75Å; M73-F129 HydrophobicContact SD-CE1 3.91Å; M73-F129 HydrophobicContact SD-CG 4.33Å |
| 74 | V | 90.1 | Very high | 94.8 | Very high | 82 Ų | 82 | 70.3 Ų | 70.3 | 50% | 0.497 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 128.5 | -176.9 | 177.9 | 0 | 0 | 0 | 0 | 109.9 | L71 A72 H76 F92 | L71-V74 WeakPolarHBondContact O-CB 3.26Å; L71-V74 WeakPolarHBondContact O-CG2 3.1Å; L71-V74 PolarHBondContact O-N 2.96Å; A72-V74 VanDerWaalsContact C-N 3.27Å; A72-V74 PolarHBondContact O-N 3.29Å; V74-H76 VanDerWaalsContact C-N 3.27Å; V74-H76 PolarHBondContact O-N 3.43Å; V74-H76 PolarHBondContact O-ND1 3.28Å; V74-F92 HydrophobicContact CG2-CD1 4.04Å; V74-F92 HydrophobicContact CG2-CE1 3.86Å |
| 75 | G | 85.5 | Confident | 94.4 | Very high | 63 Ų | 63 | 68.4 Ų | 68.4 | 65% | 0.649 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80 | 0.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | M73 | M73-G75 PolarHBondContact O-N 3.45Š|
| 76 | H | 92.9 | Very high | 94.2 | Very high | 59 Ų | 59 | 62.3 Ų | 62.3 | 27% | 0.273 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -106 | 146.1 | 176.3 | -63.3 | 80.9 | 0 | 0 | 0 | 111.4 | A72 M73 V74 V78 Q91 F92 F129 K130 | A72-H76 PolarHBondContact O-ND1 3.07Å; A72-H76 VanDerWaalsContact O-ND1 3.17Å; M73-H76 WeakPolarHBondContact O-CB 3.4Å; M73-H76 PolarHBondContact O-N 2.88Å; V74-H76 VanDerWaalsContact C-N 3.27Å; V74-H76 PolarHBondContact O-N 3.43Å; V74-H76 PolarHBondContact O-ND1 3.28Å; H76-V78 PolarHBondContact O-N 2.95Å; H76-Q91 VanDerWaalsContact C-OE1 3.27Å; H76-Q91 PolarHBondContact O-OE1 2.85Å; H76-F92 PolarHBondContact O-N 3.17Å; H76-F129 HydrophobicContact CB-CD2 4.29Å; H76-K130 PolarHBondContact CD2-O 3.27Å |
| 77 | P | 95.9 | Very high | 94.3 | Very high | 74 Ų | 74 | 65 Ų | 65 | 48% | 0.481 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 131.1 | 168.2 | 28.4 | -32.4 | 0 | 0 | 0 | 109.3 | T89 A90 | P77-T89 HydrophobicContact CB-CG2 4.21Å; P77-A90 WeakPolarHBondContact CA-O 3.27Å |
| 78 | V | 97.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 129.6 | 179.7 | -175.1 | 0 | 0 | 0 | 0 | 108.6 | M73 H76 F80 T89 A90 F92 Y127 F129 | M73-V78 HydrophobicContact CB-CG2 4.26Å; M73-V78 HydrophobicContact CG-CG2 4.32Å; M73-V78 HydrophobicContact SD-CG1 4.22Å; M73-V78 HydrophobicContact SD-CG2 3.97Å; H76-V78 PolarHBondContact O-N 2.95Å; V78-F80 HydrophobicContact CB-CE2 3.72Å; V78-F80 HydrophobicContact CB-CZ 3.87Å; V78-F80 HydrophobicContact CG1-CD2 4.28Å; V78-F80 HydrophobicContact CG1-CE1 4.01Å; V78-F80 HydrophobicContact CG1-CE2 3.69Å; V78-F80 HydrophobicContact CG1-CZ 3.53Å; V78-F80 WeakPolarHBondContact O-CD2 3.35Å; V78-F80 WeakPolarHBondContact O-CE2 3.08Å; V78-T89 WeakPolarHBondContact O-CA 3.41Å; V78-A90 PolarHBondContact N-O 3.38Å; V78-A90 PolarHBondContact O-N 3Å; V78-F92 HydrophobicContact CG2-CB 3.59Å; V78-F92 HydrophobicContact CG2-CG 4.47Å; V78-Y127 HydrophobicContact CG1-CD2 4.23Å; V78-F129 HydrophobicContact CB-CB 4.49Å; V78-F129 HydrophobicContact CG1-CB 4.49Å; V78-F129 HydrophobicContact CG2-CB 3.96Å |
| 79 | S | 97.8 | Very high | 94.6 | Very high | 51 Ų | 51 | 56.7 Ų | 56.7 | 36% | 0.357 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 128.9 | 173.3 | -64.4 | 0 | 0 | 0 | 0 | 109.6 | V88 T89 Y127 S128 | S79-V88 CarbonylContact C-O 3.58Å; S79-V88 WeakPolarHBondContact CA-O 3.48Å; S79-T89 PolarHBondContact OG-OG1 3.3Å; S79-Y127 CarbonylContact O-C 3.59Å; S79-Y127 WeakPolarHBondContact O-CA 3.43Å; S79-S128 PolarHBondContact N-O 3.43Å; S79-S128 PolarHBondContact O-N 3.03Å |
| 80 | F | 97.6 | Very high | 94.7 | Very high | 1 Ų | 1 | 54.7 Ų | 54.7 | 0% | 0.004 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 135.9 | 178.6 | -56.9 | -95.8 | 0 | 0 | 0 | 109.8 | V78 L82 H87 V88 A90 F102 V104 L119 I124 S126 Y127 | V78-F80 HydrophobicContact CB-CE2 3.72Å; V78-F80 HydrophobicContact CB-CZ 3.87Å; V78-F80 HydrophobicContact CG1-CD2 4.28Å; V78-F80 HydrophobicContact CG1-CE1 4.01Å; V78-F80 HydrophobicContact CG1-CE2 3.69Å; V78-F80 HydrophobicContact CG1-CZ 3.53Å; V78-F80 WeakPolarHBondContact O-CD2 3.35Å; V78-F80 WeakPolarHBondContact O-CE2 3.08Å; F80-L82 HydrophobicContact CB-CD2 4.07Å; F80-H87 WeakPolarHBondContact O-CA 3.46Å; F80-V88 HydrophobicContact CB-CG2 3.79Å; F80-V88 HydrophobicContact CD2-CG2 4.34Å; F80-V88 HydrophobicContact CG-CG2 4.47Å; F80-V88 PolarHBondContact N-O 3.39Å; F80-V88 PolarHBondContact O-N 3.3Å; F80-A90 HydrophobicContact CE2-CB 4.35Å; F80-F102 HydrophobicContact CE1-CB 4.39Å; F80-F102 AromaticContact CE1-CD1 3.85Å; F80-F102 HydrophobicContact CE1-CD1 3.85Å; F80-F102 HydrophobicContact CE1-CE1 4.29Å; F80-F102 HydrophobicContact CE1-CG 4.04Å; F80-F102 HydrophobicContact CZ-CD1 4.17Å; F80-F102 HydrophobicContact CZ-CG 4.49Å; F80-V104 HydrophobicContact CE2-CG1 4.15Å; F80-V104 HydrophobicContact CZ-CG1 4.03Å; F80-L119 HydrophobicContact CB-CD1 4.42Å; F80-L119 HydrophobicContact CD1-CD1 4.07Å; F80-L119 HydrophobicContact CD2-CD1 3.79Å; F80-L119 HydrophobicContact CE1-CD1 4.28Å; F80-L119 HydrophobicContact CE2-CD1 4Å; F80-L119 HydrophobicContact CG-CD1 3.83Å; F80-L119 HydrophobicContact CZ-CD1 4.25Å; F80-I124 HydrophobicContact CD1-CD1 3.95Å; F80-I124 HydrophobicContact CD1-CG1 4.28Å; F80-I124 HydrophobicContact CD1-CG2 4.19Å; F80-I124 HydrophobicContact CE1-CD1 4.2Å; F80-S126 WeakPolarHBondContact CA-O 3.24Å; F80-Y127 HydrophobicContact CE1-CG 4.4Å |
| 81 | T | 97.6 | Very high | 94.9 | Very high | 37 Ų | 37 | 57.4 Ų | 57.4 | 23% | 0.227 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 116.8 | 165.8 | -60.4 | 0 | 0 | 0 | 0 | 107.6 | H87 I125 S126 | T81-H87 PolarHBondContact OG1-CD2 3.38Å; T81-I125 HydrophobicContact CG2-CB 4.46Å; T81-I125 WeakPolarHBondContact O-CB 3.27Å; T81-I125 PolarHBondContact O-N 2.81Å; T81-S126 PolarHBondContact N-O 3.06Å; T81-S126 PolarHBondContact O-N 3.38Å |
| 82 | L | 96.6 | Very high | 95 | Very high | 26 Ų | 26 | 51.6 Ų | 51.6 | 14% | 0.136 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 176 | 178.5 | -49.4 | -178.5 | 0 | 0 | 0 | 110.4 | F80 V86 V88 D123 I124 I125 | F80-L82 HydrophobicContact CB-CD2 4.07Å; L82-V86 HydrophobicContact CB-CB 4.28Å; L82-V86 HydrophobicContact CD1-CG1 4.4Å; L82-V86 PolarHBondContact N-O 3.17Å; L82-V88 HydrophobicContact CD1-CG1 4.1Å; L82-V88 HydrophobicContact CD1-CG2 3.89Å; L82-V88 HydrophobicContact CD2-CG2 4.42Å; L82-V88 HydrophobicContact CG-CG2 4.09Å; L82-D123 VanDerWaalsContact CA-O 3.25Å; L82-D123 WeakPolarHBondContact CA-O 3.36Å; L82-D123 WeakPolarHBondContact CB-O 3.47Å; L82-D123 WeakPolarHBondContact CD2-O 3.46Å; L82-I124 HydrophobicContact CD2-CB 4.42Å; L82-I124 HydrophobicContact CD2-CG1 3.8Å; L82-I125 WeakPolarHBondContact O-CD1 3.38Å |
| 83 | H | 95.4 | Very high | 95 | Very high | 105 Ų | 105 | 52.3 Ų | 52.3 | 49% | 0.486 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -57.2 | 161.2 | 169.1 | -74.2 | -76.6 | 0 | 0 | 0 | 112.8 | G85 V86 S122 D123 | H83-G85 PolarHBondContact O-N 3.42Å; H83-V86 PolarHBondContact O-N 2.94Å; H83-S122 PolarHBondContact CD2-O 2.77Å; H83-S122 PolarHBondContact NE2-O 2.69Å; H83-D123 PolarHBondContact N-O 3.34Å |
| 84 | E | 92.3 | Very high | 95 | Very high | 183 Ų | 183 | 54.4 Ų | 54.4 | 86% | 0.855 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | 60.4 | 22.4 | -176.8 | -52.8 | -54.8 | 138.9 | 0 | 0 | 114.7 | V86 | E84-V86 HydrophobicContact CB-CG2 4.42Å; E84-V86 PolarHBondContact O-N 2.62Å |
| 85 | G | 88.8 | Confident | 95.2 | Very high | 53 Ų | 53 | 52.1 Ų | 52.1 | 55% | 0.546 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | 69.7 | 17.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | H83 H87 | H83-G85 PolarHBondContact O-N 3.42Å; G85-H87 PolarHBondContact O-CE1 3.36Å; G85-H87 VanDerWaalsContact O-CE1 3.29Å; G85-H87 PolarHBondContact O-ND1 3.03Å |
| 86 | V | 95.1 | Very high | 95.6 | Very high | 52 Ų | 52 | 51.1 Ų | 51.1 | 32% | 0.315 | 30% | 0.299 | S | S | . | . | trans | -76.9 | 127.6 | 179.5 | -179.9 | 0 | 0 | 0 | 0 | 109.5 | L82 H83 E84 V88 | L82-V86 HydrophobicContact CB-CB 4.28Å; L82-V86 HydrophobicContact CD1-CG1 4.4Å; L82-V86 PolarHBondContact N-O 3.17Å; H83-V86 PolarHBondContact O-N 2.94Å; E84-V86 HydrophobicContact CB-CG2 4.42Å; E84-V86 PolarHBondContact O-N 2.62Å; V86-V88 HydrophobicContact CG1-CG1 3.94Å | ||
| 87 | H | 96.9 | Very high | 95 | Very high | 128 Ų | 128 | 54.8 Ų | 54.8 | 59% | 0.593 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 125.8 | 176.5 | -63.6 | 74.5 | 0 | 0 | 0 | 108.7 | F80 T81 G85 | F80-H87 WeakPolarHBondContact O-CA 3.46Å; T81-H87 PolarHBondContact OG1-CD2 3.38Å; G85-H87 PolarHBondContact O-CE1 3.36Å; G85-H87 VanDerWaalsContact O-CE1 3.29Å; G85-H87 PolarHBondContact O-ND1 3.03Å |
| 88 | V | 97.6 | Very high | 94.6 | Very high | 4 Ų | 4 | 57.7 Ų | 57.7 | 2% | 0.024 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 150.9 | 179.4 | -60.5 | 0 | 0 | 0 | 0 | 109.9 | S79 F80 L82 V86 L107 Q108 T109 L119 | S79-V88 CarbonylContact C-O 3.58Å; S79-V88 WeakPolarHBondContact CA-O 3.48Å; F80-V88 HydrophobicContact CB-CG2 3.79Å; F80-V88 HydrophobicContact CD2-CG2 4.34Å; F80-V88 HydrophobicContact CG-CG2 4.47Å; F80-V88 PolarHBondContact N-O 3.39Å; F80-V88 PolarHBondContact O-N 3.3Å; L82-V88 HydrophobicContact CD1-CG1 4.1Å; L82-V88 HydrophobicContact CD1-CG2 3.89Å; L82-V88 HydrophobicContact CD2-CG2 4.42Å; L82-V88 HydrophobicContact CG-CG2 4.09Å; V86-V88 HydrophobicContact CG1-CG1 3.94Å; V88-L107 HydrophobicContact CB-CD1 3.72Å; V88-L107 HydrophobicContact CG1-CD1 4.45Å; V88-L107 HydrophobicContact CG2-CD1 3.67Å; V88-Q108 WeakPolarHBondContact CA-O 3.48Å; V88-Q108 WeakPolarHBondContact CB-O 3.21Å; V88-T109 HydrophobicContact CG1-CG2 4.36Å; V88-L119 HydrophobicContact CG2-CD1 4.45Å |
| 89 | T | 97.9 | Very high | 93.9 | Very high | 53 Ų | 53 | 58.2 Ų | 58.2 | 33% | 0.325 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 138.4 | 174.3 | -59.7 | 0 | 0 | 0 | 0 | 108.4 | P77 V78 S79 Q108 | P77-T89 HydrophobicContact CB-CG2 4.21Å; V78-T89 WeakPolarHBondContact O-CA 3.41Å; S79-T89 PolarHBondContact OG-OG1 3.3Å; T89-Q108 WeakPolarHBondContact O-CB 3.48Å; T89-Q108 PolarHBondContact O-N 3.5Å |
| 90 | A | 97.6 | Very high | 93.2 | Very high | 3 Ų | 3 | 57.8 Ų | 57.8 | 3% | 0.025 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 162.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | P77 V78 F80 V104 L107 | P77-A90 WeakPolarHBondContact CA-O 3.27Å; V78-A90 PolarHBondContact N-O 3.38Å; V78-A90 PolarHBondContact O-N 3Å; F80-A90 HydrophobicContact CE2-CB 4.35Å; A90-V104 HydrophobicContact CB-CB 3.6Å; A90-V104 HydrophobicContact CB-CG1 4.18Å; A90-V104 HydrophobicContact CB-CG2 3.69Å; A90-L107 HydrophobicContact CB-CB 4.11Å; A90-L107 HydrophobicContact CB-CD1 3.72Å |
| 91 | Q | 97 | Very high | 93.1 | Very high | 67 Ų | 67 | 59.5 Ų | 59.5 | 31% | 0.313 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 123.8 | 170.2 | -63.8 | -71.4 | 38.7 | 0 | 0 | 109.5 | H76 G93 V104 S105 | H76-Q91 VanDerWaalsContact C-OE1 3.27Å; H76-Q91 PolarHBondContact O-OE1 2.85Å; Q91-G93 PolarHBondContact O-N 3.48Å; Q91-V104 VanDerWaalsContact O-CA 3.24Å; Q91-V104 WeakPolarHBondContact O-CA 3.49Å; Q91-V104 WeakPolarHBondContact O-CB 3.46Å; Q91-S105 PolarHBondContact N-O 3.39Å; Q91-S105 PolarHBondContact O-N 3.31Å |
| 92 | F | 96.1 | Very high | 93 | Very high | 12 Ų | 12 | 58 Ų | 58 | 5% | 0.053 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 122.9 | 177.3 | 177.6 | -98.4 | 0 | 0 | 0 | 110.7 | M73 V74 H76 V78 A94 T95 F102 | M73-F92 HydrophobicContact CB-CB 4.24Å; M73-F92 HydrophobicContact CB-CD1 3.65Å; M73-F92 HydrophobicContact CB-CE1 4.12Å; M73-F92 HydrophobicContact CB-CG 3.92Å; M73-F92 HydrophobicContact CE-CD2 4.34Å; M73-F92 HydrophobicContact CE-CE2 4.1Å; M73-F92 HydrophobicContact CE-CZ 4.23Å; V74-F92 HydrophobicContact CG2-CD1 4.04Å; V74-F92 HydrophobicContact CG2-CE1 3.86Å; H76-F92 PolarHBondContact O-N 3.17Å; V78-F92 HydrophobicContact CG2-CB 3.59Å; V78-F92 HydrophobicContact CG2-CG 4.47Å; F92-A94 WeakPolarHBondContact CE2-O 3.15Å; F92-T95 HydrophobicContact CZ-CG2 4.11Å; F92-F102 AromaticContact CD2-CD1 3.94Å; F92-F102 HydrophobicContact CD2-CD1 3.94Å; F92-F102 AromaticContact CE2-CD1 3.64Å; F92-F102 HydrophobicContact CE2-CD1 3.64Å; F92-F102 HydrophobicContact CE2-CE1 4.13Å |
| 93 | G | 93.6 | Very high | 93 | Very high | 45 Ų | 45 | 62.2 Ų | 62.2 | 46% | 0.464 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | -63.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q91 Y103 | Q91-G93 PolarHBondContact O-N 3.48Å; G93-Y103 WeakPolarHBondContact CA-O 3.41Å; G93-Y103 PolarHBondContact N-O 3.45Å |
| 94 | A | 94.2 | Very high | 93.1 | Very high | 45 Ų | 45 | 57.3 Ų | 57.3 | 37% | 0.372 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 169.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | F92 Y103 | F92-A94 WeakPolarHBondContact CE2-O 3.15Å; A94-Y103 HydrophobicContact CB-CD2 4.27Å; A94-Y103 PolarHBondContact N-O 3.08Å; A94-Y103 VanDerWaalsContact N-O 3.11Å; A94-Y103 PolarHBondContact O-N 3.42Å |
| 95 | T | 95.2 | Very high | 93.3 | Very high | 34 Ų | 34 | 49.9 Ų | 49.9 | 21% | 0.209 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 154.7 | 167.1 | -173.8 | 0 | 0 | 0 | 0 | 109.3 | L70 F92 V99 N101 | L70-T95 HydrophobicContact CD1-CG2 3.84Å; L70-T95 HydrophobicContact CD2-CG2 4.26Å; L70-T95 HydrophobicContact CG-CG2 4.45Å; F92-T95 HydrophobicContact CZ-CG2 4.11Å; T95-V99 HydrophobicContact CG2-CG1 4.44Å; T95-V99 HydrophobicContact CG2-CG2 4.31Å; T95-V99 WeakPolarHBondContact OG1-CG1 3.29Å; T95-N101 VanDerWaalsContact CA-O 3.26Å; T95-N101 WeakPolarHBondContact CA-O 3.24Å; T95-N101 WeakPolarHBondContact CB-O 3.39Å; T95-N101 PolarHBondContact OG1-O 3.39Å |
| 96 | D | 93 | Very high | 93.7 | Very high | 41 Ų | 41 | 53.2 Ų | 53.2 | 22% | 0.219 | 30% | 0.296 | C | S | . | . | trans | -71.5 | 165.9 | 173.6 | 55 | -3.9 | 0 | 0 | 0 | 111.7 | D98 V99 A100 N101 | D96-D98 PolarHBondContact O-N 2.9Å; D96-V99 PolarHBondContact O-N 2.93Å; D96-V99 VanDerWaalsContact OD1-C 3.26Å; D96-V99 WeakPolarHBondContact OD1-CA 3.49Å; D96-V99 PolarHBondContact OD1-N 3.33Å; D96-V99 VanDerWaalsContact OD1-N 3.12Å; D96-A100 PolarHBondContact OD1-N 3.06Å; D96-A100 WeakPolarHBondContact OD2-CB 3.36Å; D96-N101 PolarHBondContact N-O 2.86Å; D96-N101 PolarHBondContact OD1-N 2.93Å; D96-N101 PolarHBondContact OD2-N 2.98Å; D96-N101 PolarHBondContact OD2-ND2 3.36Å | ||
| 97 | L | 80.6 | Confident | 93.9 | Very high | 137 Ų | 137 | 51.1 Ų | 51.1 | 72% | 0.717 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -39.1 | -175.1 | -174.1 | 67.7 | 0 | 0 | 0 | 111.5 | R63 V99 | R63-L97 PolarHBondContact NH2-O 2.77Å; L97-V99 PolarHBondContact O-N 2.55Å |
| 98 | D | 87.6 | Confident | 93.9 | Very high | 135 Ų | 135 | 50.9 Ų | 50.9 | 72% | 0.722 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -3.6 | -178.8 | -58.6 | -32.7 | 0 | 0 | 0 | 112.6 | D96 A100 | D96-D98 PolarHBondContact O-N 2.9Å; D98-A100 PolarHBondContact O-N 3.37Å |
| 99 | V | 83.1 | Confident | 93.8 | Very high | 11 Ų | 11 | 52.8 Ų | 52.8 | 7% | 0.067 | 29% | 0.294 | C | S | . | . | S | Bend | trans | 54.4 | 38.5 | -176.7 | -163.1 | 0 | 0 | 0 | 0 | 112.4 | Y66 L70 T95 D96 L97 N101 F102 | Y66-V99 HydrophobicContact CE1-CB 4.45Å; Y66-V99 HydrophobicContact CE1-CG2 3.74Å; Y66-V99 WeakPolarHBondContact OH-CG1 3.34Å; L70-V99 HydrophobicContact CD1-CG2 3.82Å; T95-V99 HydrophobicContact CG2-CG1 4.44Å; T95-V99 HydrophobicContact CG2-CG2 4.31Å; T95-V99 WeakPolarHBondContact OG1-CG1 3.29Å; D96-V99 PolarHBondContact O-N 2.93Å; D96-V99 VanDerWaalsContact OD1-C 3.26Å; D96-V99 WeakPolarHBondContact OD1-CA 3.49Å; D96-V99 PolarHBondContact OD1-N 3.33Å; D96-V99 VanDerWaalsContact OD1-N 3.12Å; L97-V99 PolarHBondContact O-N 2.55Å; V99-N101 VanDerWaalsContact C-N 3.35Å; V99-F102 HydrophobicContact CG1-CE2 4Å; V99-F102 HydrophobicContact CG1-CZ 3.79Å |
| 100 | A | 84.3 | Confident | 93.5 | Very high | 42 Ų | 42 | 55.5 Ų | 55.5 | 35% | 0.347 | 31% | 0.312 | S | S | . | . | trans | -82.8 | -15 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | D96 D98 C121 | D96-A100 PolarHBondContact OD1-N 3.06Å; D96-A100 WeakPolarHBondContact OD2-CB 3.36Å; D98-A100 PolarHBondContact O-N 3.37Å; A100-C121 WeakPolarHBondContact O-CB 3.37Å; A100-C121 PolarHBondContact O-N 3.35Å | ||
| 101 | N | 94.4 | Very high | 93.3 | Very high | 37 Ų | 37 | 63.5 Ų | 63.5 | 20% | 0.198 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 146.5 | -177 | -54.9 | -77.5 | 0 | 0 | 0 | 113.4 | T95 D96 V99 L118 L119 | T95-N101 VanDerWaalsContact CA-O 3.26Å; T95-N101 WeakPolarHBondContact CA-O 3.24Å; T95-N101 WeakPolarHBondContact CB-O 3.39Å; T95-N101 PolarHBondContact OG1-O 3.39Å; D96-N101 PolarHBondContact N-O 2.86Å; D96-N101 PolarHBondContact OD1-N 2.93Å; D96-N101 PolarHBondContact OD2-N 2.98Å; D96-N101 PolarHBondContact OD2-ND2 3.36Å; V99-N101 VanDerWaalsContact C-N 3.35Å; N101-L118 HydrophobicContact CB-CD1 3.72Å; N101-L118 HydrophobicContact CB-CG 4.26Å; N101-L119 CarbonylContact C-O 3.49Å; N101-L119 WeakPolarHBondContact CA-O 3.3Å |
| 102 | F | 96.3 | Very high | 93.2 | Very high | 4 Ų | 4 | 61.9 Ų | 61.9 | 2% | 0.018 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 118.4 | 175.6 | -68.1 | -104.8 | 0 | 0 | 0 | 109.7 | M73 F80 F92 V99 V104 L118 L119 I124 Y127 | M73-F102 HydrophobicContact CE-CE1 4.21Å; F80-F102 HydrophobicContact CE1-CB 4.39Å; F80-F102 AromaticContact CE1-CD1 3.85Å; F80-F102 HydrophobicContact CE1-CD1 3.85Å; F80-F102 HydrophobicContact CE1-CE1 4.29Å; F80-F102 HydrophobicContact CE1-CG 4.04Å; F80-F102 HydrophobicContact CZ-CD1 4.17Å; F80-F102 HydrophobicContact CZ-CG 4.49Å; F92-F102 AromaticContact CD2-CD1 3.94Å; F92-F102 HydrophobicContact CD2-CD1 3.94Å; F92-F102 AromaticContact CE2-CD1 3.64Å; F92-F102 HydrophobicContact CE2-CD1 3.64Å; F92-F102 HydrophobicContact CE2-CE1 4.13Å; V99-F102 HydrophobicContact CG1-CE2 4Å; V99-F102 HydrophobicContact CG1-CZ 3.79Å; F102-V104 HydrophobicContact CB-CG1 4.19Å; F102-L118 WeakPolarHBondContact O-CA 3.49Å; F102-L119 HydrophobicContact CB-CB 4.3Å; F102-L119 PolarHBondContact N-O 2.97Å; F102-L119 PolarHBondContact O-N 2.84Å; F102-I124 HydrophobicContact CD2-CD1 3.42Å; F102-I124 VanDerWaalsContact CD2-CD1 3.42Å; F102-I124 HydrophobicContact CE2-CD1 3.84Å; F102-I124 HydrophobicContact CG-CD1 4.14Å; F102-Y127 HydrophobicContact CE1-CD1 4.38Å; F102-Y127 HydrophobicContact CE1-CE1 4.28Å; F102-Y127 AromaticContact CZ-CD1 4Å; F102-Y127 HydrophobicContact CZ-CD1 4Å; F102-Y127 AromaticContact CZ-CE1 3.75Å; F102-Y127 HydrophobicContact CZ-CE1 3.75Å |
| 103 | Y | 96.4 | Very high | 93.3 | Very high | 115 Ų | 115 | 66.1 Ų | 66.1 | 45% | 0.451 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 116.4 | 172.3 | -60.8 | -95.4 | 0 | 0 | 0 | 107.9 | G93 A94 L118 | G93-Y103 WeakPolarHBondContact CA-O 3.41Å; G93-Y103 PolarHBondContact N-O 3.45Å; A94-Y103 HydrophobicContact CB-CD2 4.27Å; A94-Y103 PolarHBondContact N-O 3.08Å; A94-Y103 VanDerWaalsContact N-O 3.11Å; A94-Y103 PolarHBondContact O-N 3.42Å; Y103-L118 HydrophobicContact CD1-CD1 3.54Å; Y103-L118 HydrophobicContact CD2-CD1 4.05Å; Y103-L118 HydrophobicContact CE1-CD1 3.41Å; Y103-L118 VanDerWaalsContact CE1-CD1 3.41Å; Y103-L118 HydrophobicContact CE2-CD1 3.93Å; Y103-L118 HydrophobicContact CG-CD1 3.86Å |
| 104 | V | 96.8 | Very high | 93.5 | Very high | 2 Ų | 2 | 68.9 Ų | 68.9 | 1% | 0.012 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 148.6 | -173.7 | -57.6 | 0 | 0 | 0 | 0 | 111.1 | F80 A90 Q91 F102 L107 A117 L119 | F80-V104 HydrophobicContact CE2-CG1 4.15Å; F80-V104 HydrophobicContact CZ-CG1 4.03Å; A90-V104 HydrophobicContact CB-CB 3.6Å; A90-V104 HydrophobicContact CB-CG1 4.18Å; A90-V104 HydrophobicContact CB-CG2 3.69Å; Q91-V104 VanDerWaalsContact O-CA 3.24Å; Q91-V104 WeakPolarHBondContact O-CA 3.49Å; Q91-V104 WeakPolarHBondContact O-CB 3.46Å; F102-V104 HydrophobicContact CB-CG1 4.19Å; V104-L107 HydrophobicContact CG2-CB 4.27Å; V104-L107 HydrophobicContact CG2-CD1 4.41Å; V104-A117 HydrophobicContact CG2-CB 3.99Å; V104-A117 PolarHBondContact N-O 2.81Å; V104-A117 PolarHBondContact O-N 3.34Å; V104-L119 HydrophobicContact CG2-CD1 4.23Å; V104-L119 HydrophobicContact CG2-CG 4.2Å |
| 105 | S | 97.3 | Very high | 93.6 | Very high | 28 Ų | 28 | 70.1 Ų | 70.1 | 20% | 0.196 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 159.1 | 173 | 64 | 0 | 0 | 0 | 0 | 111 | Q91 L107 A115 E116 | Q91-S105 PolarHBondContact N-O 3.39Å; Q91-S105 PolarHBondContact O-N 3.31Å; S105-L107 VanDerWaalsContact C-N 3.27Å; S105-L107 PolarHBondContact O-N 2.89Å; S105-A115 CarbonylContact C-O 3.51Å; S105-A115 VanDerWaalsContact CA-O 3.25Å; S105-A115 WeakPolarHBondContact CA-O 3.26Å; S105-A115 WeakPolarHBondContact CB-O 3.33Å; S105-E116 WeakPolarHBondContact CB-OE1 3.47Å; S105-E116 WeakPolarHBondContact CB-OE2 3.39Å |
| 106 | Q | 97.3 | Very high | 93.7 | Very high | 122 Ų | 122 | 74.9 Ų | 74.9 | 57% | 0.57 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 52.5 | 45 | -179.6 | -57.1 | 176.5 | 56.5 | 0 | 0 | 112.4 | Q108 V113 Q114 A115 | Q106-Q108 PolarHBondContact O-N 2.84Å; Q106-Q108 VanDerWaalsContact O-N 3.09Å; Q106-V113 HydrophobicContact CB-CG1 4.49Å; Q106-Q114 CarbonylContact C-O 3.51Å; Q106-Q114 WeakPolarHBondContact CA-O 3.36Å; Q106-Q114 PolarHBondContact N-O 2.84Å; Q106-A115 PolarHBondContact N-O 2.9Å |
| 107 | L | 97.8 | Very high | 93.9 | Very high | 9 Ų | 9 | 73.6 Ų | 73.6 | 5% | 0.047 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 109.9 | 179.3 | 176.1 | 67 | 0 | 0 | 0 | 109.7 | V88 A90 V104 S105 T109 V113 Q114 A117 L119 | V88-L107 HydrophobicContact CB-CD1 3.72Å; V88-L107 HydrophobicContact CG1-CD1 4.45Å; V88-L107 HydrophobicContact CG2-CD1 3.67Å; A90-L107 HydrophobicContact CB-CB 4.11Å; A90-L107 HydrophobicContact CB-CD1 3.72Å; V104-L107 HydrophobicContact CG2-CB 4.27Å; V104-L107 HydrophobicContact CG2-CD1 4.41Å; S105-L107 VanDerWaalsContact C-N 3.27Å; S105-L107 PolarHBondContact O-N 2.89Å; L107-T109 HydrophobicContact CD2-CG2 4.2Å; L107-T109 HydrophobicContact CG-CG2 4.02Å; L107-T109 PolarHBondContact O-N 3.32Å; L107-V113 WeakPolarHBondContact O-CA 3.32Å; L107-Q114 HydrophobicContact CB-CB 4.34Å; L107-Q114 PolarHBondContact N-O 3.23Å; L107-Q114 PolarHBondContact O-N 3.25Å; L107-A117 HydrophobicContact CB-CB 4.06Å; L107-A117 HydrophobicContact CD2-CB 3.53Å; L107-A117 HydrophobicContact CG-CB 4.43Å; L107-L119 HydrophobicContact CD1-CD1 4.26Å; L107-L119 HydrophobicContact CD2-CD2 3.98Å |
| 108 | Q | 97.8 | Very high | 94.7 | Very high | 122 Ų | 122 | 71 Ų | 71 | 57% | 0.57 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 111.1 | 177.8 | -169.9 | 162.3 | 8.9 | 0 | 0 | 110 | V88 T89 Q106 V113 | V88-Q108 WeakPolarHBondContact CA-O 3.48Å; V88-Q108 WeakPolarHBondContact CB-O 3.21Å; T89-Q108 WeakPolarHBondContact O-CB 3.48Å; T89-Q108 PolarHBondContact O-N 3.5Å; Q106-Q108 PolarHBondContact O-N 2.84Å; Q106-Q108 VanDerWaalsContact O-N 3.09Å; Q108-V113 HydrophobicContact CG-CG2 4.46Å |
| 109 | T | 95.4 | Very high | 95.2 | Very high | 44 Ų | 44 | 65.3 Ų | 65.3 | 27% | 0.27 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 164.5 | 175 | 74.2 | 0 | 0 | 0 | 0 | 110 | V88 L107 I111 G112 | V88-T109 HydrophobicContact CG1-CG2 4.36Å; L107-T109 HydrophobicContact CD2-CG2 4.2Å; L107-T109 HydrophobicContact CG-CG2 4.02Å; L107-T109 PolarHBondContact O-N 3.32Å; T109-I111 PolarHBondContact O-N 3.12Å; T109-I111 VanDerWaalsContact O-N 3.11Å; T109-I111 PolarHBondContact OG1-N 3.46Å; T109-G112 WeakPolarHBondContact CA-O 3.41Å; T109-G112 PolarHBondContact N-O 2.93Å; T109-G112 PolarHBondContact O-N 3.19Å; T109-G112 VanDerWaalsContact O-O 3.12Å; T109-G112 PolarHBondContact OG1-N 3.14Å; T109-G112 PolarHBondContact OG1-O 3.37Å |
| 110 | P | 91.6 | Very high | 95.8 | Very high | 111 Ų | 111 | 71.1 Ų | 71.1 | 72% | 0.721 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -24.5 | 176.3 | -27 | 36.1 | 0 | 0 | 0 | 114.7 | ||
| 111 | I | 93.9 | Very high | 96.3 | Very high | 170 Ų | 170 | 72.1 Ų | 72.1 | 87% | 0.872 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | -20.3 | -175.8 | -51.8 | 174.7 | 0 | 0 | 0 | 111.1 | T109 | T109-I111 PolarHBondContact O-N 3.12Å; T109-I111 VanDerWaalsContact O-N 3.11Å; T109-I111 PolarHBondContact OG1-N 3.46Å |
| 112 | G | 94.9 | Very high | 96.4 | Very high | 34 Ų | 34 | 74 Ų | 74 | 35% | 0.351 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 159.9 | -170.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | T109 | T109-G112 WeakPolarHBondContact CA-O 3.41Å; T109-G112 PolarHBondContact N-O 2.93Å; T109-G112 PolarHBondContact O-N 3.19Å; T109-G112 VanDerWaalsContact O-O 3.12Å; T109-G112 PolarHBondContact OG1-N 3.14Å; T109-G112 PolarHBondContact OG1-O 3.37Å |
| 113 | V | 97.8 | Very high | 96.3 | Very high | 101 Ų | 101 | 76 Ų | 76 | 61% | 0.612 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 124.5 | -179.1 | -177.3 | 0 | 0 | 0 | 0 | 109.7 | Q106 L107 Q108 | Q106-V113 HydrophobicContact CB-CG1 4.49Å; L107-V113 WeakPolarHBondContact O-CA 3.32Å; Q108-V113 HydrophobicContact CG-CG2 4.46Å |
| 114 | Q | 97.4 | Very high | 96.3 | Very high | 102 Ų | 102 | 71.5 Ų | 71.5 | 48% | 0.477 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 123.7 | 171.4 | -178.6 | 171.2 | -34.2 | 0 | 0 | 109.3 | Q106 L107 E116 A117 | Q106-Q114 CarbonylContact C-O 3.51Å; Q106-Q114 WeakPolarHBondContact CA-O 3.36Å; Q106-Q114 PolarHBondContact N-O 2.84Å; L107-Q114 HydrophobicContact CB-CB 4.34Å; L107-Q114 PolarHBondContact N-O 3.23Å; L107-Q114 PolarHBondContact O-N 3.25Å; Q114-E116 WeakPolarHBondContact CG-O 3.16Å; Q114-E116 PolarHBondContact NE2-O 3.08Å; Q114-E116 PolarHBondContact O-N 2.96Å; Q114-A117 HydrophobicContact CG-CB 4.32Å |
| 115 | A | 97.3 | Very high | 96.3 | Very high | 71 Ų | 71 | 76.5 Ų | 76.5 | 59% | 0.587 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.1 | -46.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S105 Q106 | S105-A115 CarbonylContact C-O 3.51Å; S105-A115 VanDerWaalsContact CA-O 3.25Å; S105-A115 WeakPolarHBondContact CA-O 3.26Å; S105-A115 WeakPolarHBondContact CB-O 3.33Å; Q106-A115 PolarHBondContact N-O 2.9Å |
| 116 | E | 97.6 | Very high | 96.2 | Very high | 134 Ų | 134 | 77.9 Ų | 77.9 | 63% | 0.626 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 136.3 | 179.2 | -63.2 | -61.2 | 151.3 | 0 | 0 | 109.4 | S105 Q114 | S105-E116 WeakPolarHBondContact CB-OE1 3.47Å; S105-E116 WeakPolarHBondContact CB-OE2 3.39Å; Q114-E116 WeakPolarHBondContact CG-O 3.16Å; Q114-E116 PolarHBondContact NE2-O 3.08Å; Q114-E116 PolarHBondContact O-N 2.96Å |
| 117 | A | 97.3 | Very high | 96.2 | Very high | 14 Ų | 14 | 75.4 Ų | 75.4 | 12% | 0.116 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 153.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | V104 L107 Q114 | V104-A117 HydrophobicContact CG2-CB 3.99Å; V104-A117 PolarHBondContact N-O 2.81Å; V104-A117 PolarHBondContact O-N 3.34Å; L107-A117 HydrophobicContact CB-CB 4.06Å; L107-A117 HydrophobicContact CD2-CB 3.53Å; L107-A117 HydrophobicContact CG-CB 4.43Å; Q114-A117 HydrophobicContact CG-CB 4.32Å |
| 118 | L | 97.1 | Very high | 96.1 | Very high | 84 Ų | 84 | 78.5 Ų | 78.5 | 44% | 0.44 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 112.4 | 169.5 | -174.3 | 71.4 | 0 | 0 | 0 | 108.3 | N101 F102 Y103 | N101-L118 HydrophobicContact CB-CD1 3.72Å; N101-L118 HydrophobicContact CB-CG 4.26Å; F102-L118 WeakPolarHBondContact O-CA 3.49Å; Y103-L118 HydrophobicContact CD1-CD1 3.54Å; Y103-L118 HydrophobicContact CD2-CD1 4.05Å; Y103-L118 HydrophobicContact CE1-CD1 3.41Å; Y103-L118 VanDerWaalsContact CE1-CD1 3.41Å; Y103-L118 HydrophobicContact CE2-CD1 3.93Å; Y103-L118 HydrophobicContact CG-CD1 3.86Å |
| 119 | L | 96.8 | Very high | 96.1 | Very high | 14 Ų | 14 | 75.2 Ų | 75.2 | 7% | 0.073 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 119.6 | 171.6 | -61.2 | 176.5 | 0 | 0 | 0 | 109 | F80 V88 N101 F102 V104 L107 I124 | F80-L119 HydrophobicContact CB-CD1 4.42Å; F80-L119 HydrophobicContact CD1-CD1 4.07Å; F80-L119 HydrophobicContact CD2-CD1 3.79Å; F80-L119 HydrophobicContact CE1-CD1 4.28Å; F80-L119 HydrophobicContact CE2-CD1 4Å; F80-L119 HydrophobicContact CG-CD1 3.83Å; F80-L119 HydrophobicContact CZ-CD1 4.25Å; V88-L119 HydrophobicContact CG2-CD1 4.45Å; N101-L119 CarbonylContact C-O 3.49Å; N101-L119 WeakPolarHBondContact CA-O 3.3Å; F102-L119 HydrophobicContact CB-CB 4.3Å; F102-L119 PolarHBondContact N-O 2.97Å; F102-L119 PolarHBondContact O-N 2.84Å; V104-L119 HydrophobicContact CG2-CD1 4.23Å; V104-L119 HydrophobicContact CG2-CG 4.2Å; L107-L119 HydrophobicContact CD1-CD1 4.26Å; L107-L119 HydrophobicContact CD2-CD2 3.98Å; L119-I124 HydrophobicContact CB-CD1 3.86Å; L119-I124 HydrophobicContact CB-CG1 4.31Å |
| 120 | R | 96.2 | Very high | 96 | Very high | 133 Ų | 133 | 81.9 Ų | 81.9 | 50% | 0.502 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 145.7 | 176.8 | -58.4 | 172.6 | -64.2 | 176.5 | 6.4 | 109.4 | S122 D123 | R120-S122 PolarHBondContact O-N 3.07Å; R120-D123 IonicContact CZ-OD1 3.63Å; R120-D123 IonicContact CZ-OD2 3.3Å; R120-D123 VanDerWaalsContact CZ-OD2 3.3Å; R120-D123 IonicContact NE-OD1 2.77Å; R120-D123 IonicContact NE-OD2 3.7Å; R120-D123 PolarHBondContact NE-OD2 2.65Å; R120-D123 VanDerWaalsContact NH2-CG 3.34Å; R120-D123 IonicContact NH2-OD1 2.91Å; R120-D123 PolarHBondContact NH2-OD1 2.66Å; R120-D123 IonicContact NH2-OD2 2.93Å; R120-D123 PolarHBondContact NH2-OD2 2.91Å; R120-D123 WeakPolarHBondContact O-CB 3.44Å; R120-D123 PolarHBondContact O-N 2.9Å |
| 121 | C | 95.1 | Very high | 95.9 | Very high | 63 Ų | 63 | 85 Ų | 85 | 43% | 0.426 | 46% | 0.46 | S | S | . | . | G | 310 helix | trans | -60.4 | -29.7 | 176.9 | -175.2 | 0 | 0 | 0 | 0 | 111.8 | A100 D123 I124 | A100-C121 WeakPolarHBondContact O-CB 3.37Å; A100-C121 PolarHBondContact O-N 3.35Å; C121-D123 PolarHBondContact O-N 2.98Å; C121-I124 PolarHBondContact O-N 2.94Å |
| 122 | S | 95.7 | Very high | 96 | Very high | 78 Ų | 78 | 80.8 Ų | 80.8 | 55% | 0.545 | 44% | 0.44 | S | S | . | . | G | 310 helix | trans | -64.8 | -21.6 | 174.5 | 60.5 | 0 | 0 | 0 | 0 | 113.8 | H83 R120 | H83-S122 PolarHBondContact CD2-O 2.77Å; H83-S122 PolarHBondContact NE2-O 2.69Å; R120-S122 PolarHBondContact O-N 3.07Å |
| 123 | D | 95.4 | Very high | 96.1 | Very high | 46 Ų | 46 | 83.2 Ų | 83.2 | 25% | 0.246 | 44% | 0.444 | C | S | . | . | G | 310 helix | trans | -93.2 | -15.5 | -177.9 | -55.8 | -27.4 | 0 | 0 | 0 | 111.5 | L82 H83 R120 C121 | L82-D123 VanDerWaalsContact CA-O 3.25Å; L82-D123 WeakPolarHBondContact CA-O 3.36Å; L82-D123 WeakPolarHBondContact CB-O 3.47Å; L82-D123 WeakPolarHBondContact CD2-O 3.46Å; H83-D123 PolarHBondContact N-O 3.34Å; R120-D123 IonicContact CZ-OD1 3.63Å; R120-D123 IonicContact CZ-OD2 3.3Å; R120-D123 VanDerWaalsContact CZ-OD2 3.3Å; R120-D123 IonicContact NE-OD1 2.77Å; R120-D123 IonicContact NE-OD2 3.7Å; R120-D123 PolarHBondContact NE-OD2 2.65Å; R120-D123 VanDerWaalsContact NH2-CG 3.34Å; R120-D123 IonicContact NH2-OD1 2.91Å; R120-D123 PolarHBondContact NH2-OD1 2.66Å; R120-D123 IonicContact NH2-OD2 2.93Å; R120-D123 PolarHBondContact NH2-OD2 2.91Å; R120-D123 WeakPolarHBondContact O-CB 3.44Å; R120-D123 PolarHBondContact O-N 2.9Å; C121-D123 PolarHBondContact O-N 2.98Å |
| 124 | I | 96.1 | Very high | 96 | Very high | 20 Ų | 20 | 82.2 Ų | 82.2 | 10% | 0.103 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 126.4 | -172.5 | -59.6 | 164.9 | 0 | 0 | 0 | 110 | F80 L82 F102 L119 C121 S126 | F80-I124 HydrophobicContact CD1-CD1 3.95Å; F80-I124 HydrophobicContact CD1-CG1 4.28Å; F80-I124 HydrophobicContact CD1-CG2 4.19Å; F80-I124 HydrophobicContact CE1-CD1 4.2Å; L82-I124 HydrophobicContact CD2-CB 4.42Å; L82-I124 HydrophobicContact CD2-CG1 3.8Å; F102-I124 HydrophobicContact CD2-CD1 3.42Å; F102-I124 VanDerWaalsContact CD2-CD1 3.42Å; F102-I124 HydrophobicContact CE2-CD1 3.84Å; F102-I124 HydrophobicContact CG-CD1 4.14Å; L119-I124 HydrophobicContact CB-CD1 3.86Å; L119-I124 HydrophobicContact CB-CG1 4.31Å; C121-I124 PolarHBondContact O-N 2.94Å; I124-S126 WeakPolarHBondContact CG2-O 3.36Å |
| 125 | I | 96.4 | Very high | 95.9 | Very high | 106 Ų | 106 | 81.1 Ų | 81.1 | 54% | 0.544 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | -44.5 | 170.8 | -59.7 | 175.9 | 0 | 0 | 0 | 109.9 | T81 L82 | T81-I125 HydrophobicContact CG2-CB 4.46Å; T81-I125 WeakPolarHBondContact O-CB 3.27Å; T81-I125 PolarHBondContact O-N 2.81Å; L82-I125 WeakPolarHBondContact O-CD1 3.38Å |
| 126 | S | 96.1 | Very high | 95.8 | Very high | 57 Ų | 57 | 81.7 Ų | 81.7 | 40% | 0.399 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 162.5 | 179.6 | 65.7 | 0 | 0 | 0 | 0 | 111.6 | F80 T81 I124 | F80-S126 WeakPolarHBondContact CA-O 3.24Å; T81-S126 PolarHBondContact N-O 3.06Å; T81-S126 PolarHBondContact O-N 3.38Å; I124-S126 WeakPolarHBondContact CG2-O 3.36Å |
| 127 | Y | 96.1 | Very high | 95.7 | Very high | 71 Ų | 71 | 78.2 Ų | 78.2 | 28% | 0.278 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 152.3 | 171.6 | 64.2 | -90 | 0 | 0 | 0 | 110.7 | M73 V78 S79 F80 F102 | M73-Y127 HydrophobicContact CE-CD2 4.33Å; M73-Y127 HydrophobicContact CE-CE2 3.73Å; M73-Y127 HydrophobicContact SD-CD2 3.69Å; M73-Y127 HydrophobicContact SD-CE2 3.55Å; M73-Y127 VanDerWaalsContact SD-CE2 3.55Å; V78-Y127 HydrophobicContact CG1-CD2 4.23Å; S79-Y127 CarbonylContact O-C 3.59Å; S79-Y127 WeakPolarHBondContact O-CA 3.43Å; F80-Y127 HydrophobicContact CE1-CG 4.4Å; F102-Y127 HydrophobicContact CE1-CD1 4.38Å; F102-Y127 HydrophobicContact CE1-CE1 4.28Å; F102-Y127 AromaticContact CZ-CD1 4Å; F102-Y127 HydrophobicContact CZ-CD1 4Å; F102-Y127 AromaticContact CZ-CE1 3.75Å; F102-Y127 HydrophobicContact CZ-CE1 3.75Å |
| 128 | S | 96.7 | Very high | 95.6 | Very high | 74 Ų | 74 | 82.8 Ų | 82.8 | 52% | 0.517 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 148.4 | 178.7 | 62.1 | 0 | 0 | 0 | 0 | 111.1 | S79 | S79-S128 PolarHBondContact N-O 3.43Å; S79-S128 PolarHBondContact O-N 3.03Å |
| 129 | F | 96.5 | Very high | 95.4 | Very high | 53 Ų | 53 | 82.7 Ų | 82.7 | 23% | 0.232 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 161.4 | 178 | 73.8 | -73.2 | 0 | 0 | 0 | 109.7 | A72 M73 H76 V78 L131 | A72-F129 HydrophobicContact CB-CE2 4.34Å; A72-F129 HydrophobicContact CB-CZ 4.32Å; M73-F129 HydrophobicContact CB-CD2 4.39Å; M73-F129 HydrophobicContact CB-CE2 4.29Å; M73-F129 HydrophobicContact CB-CZ 4.4Å; M73-F129 HydrophobicContact CG-CD1 3.38Å; M73-F129 HydrophobicContact CG-CD2 3.78Å; M73-F129 HydrophobicContact CG-CE1 3.25Å; M73-F129 HydrophobicContact CG-CE2 3.63Å; M73-F129 HydrophobicContact CG-CG 3.65Å; M73-F129 HydrophobicContact CG-CZ 3.37Å; M73-F129 HydrophobicContact SD-CD1 3.75Å; M73-F129 HydrophobicContact SD-CE1 3.91Å; M73-F129 HydrophobicContact SD-CG 4.33Å; H76-F129 HydrophobicContact CB-CD2 4.29Å; V78-F129 HydrophobicContact CB-CB 4.49Å; V78-F129 HydrophobicContact CG1-CB 4.49Å; V78-F129 HydrophobicContact CG2-CB 3.96Å; F129-L131 HydrophobicContact CE2-CD2 3.51Å; F129-L131 HydrophobicContact CE2-CG 3.83Å; F129-L131 HydrophobicContact CZ-CD2 3.99Å; F129-L131 HydrophobicContact CZ-CG 4.23Å |
| 130 | K | 95.1 | Very high | 95.3 | Very high | 184 Ų | 184 | 88.4 Ų | 88.4 | 80% | 0.8 | 46% | 0.459 | S | S | * | . | trans | -101.5 | 131.3 | 174.2 | -65.2 | -177.2 | -180 | 177.7 | 0 | 108.6 | H76 | H76-K130 PolarHBondContact CD2-O 3.27Š| ||
| 131 | L | 88.6 | Confident | 95.2 | Very high | 176 Ų | 176 | 84.4 Ų | 84.4 | 92% | 0.921 | 46% | 0.456 | S | S | * | . | trans | -79.7 | 0 | 169.2 | -72.1 | 165.7 | 0 | 0 | 0 | 111.2 | A72 F129 | A72-L131 HydrophobicContact CB-CD2 3.53Å; F129-L131 HydrophobicContact CE2-CD2 3.51Å; F129-L131 HydrophobicContact CE2-CG 3.83Å; F129-L131 HydrophobicContact CZ-CD2 3.99Å; F129-L131 HydrophobicContact CZ-CG 4.23Å |
Retrieved 131 of 131 residues in 58.5 ms
(Link to these results)