| 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 | 59.5 | Low | 68.7 | Low | 218 Ų | 218 | 125.7 Ų | 125.7 | 100% | 1.074 | 65% | 0.651 | S | S | * | * | 0 | 52.4 | 0 | -67.7 | -172.3 | -88.6 | 0 | 0 | 112.9 | |||||
| 2 | K | 57.5 | Low | 68.8 | Low | 186 Ų | 186 | 126.8 Ų | 126.8 | 81% | 0.809 | 66% | 0.658 | S | S | * | * | trans | -138.3 | -39 | 177.7 | -75.3 | 146.6 | 174.8 | 174.3 | 0 | 110.9 | L4 R5 | K2-L4 VanDerWaalsContact C-N 3.33Å; K2-L4 PolarHBondContact O-N 2.93Å; K2-R5 PolarHBondContact O-N 3.15Å | ||
| 3 | A | 59.4 | Low | 68.6 | Low | 75 Ų | 75 | 128.7 Ų | 128.7 | 62% | 0.62 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -59.1 | -39.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | R5 A6 V7 | A3-R5 VanDerWaalsContact C-N 3.26Å; A3-R5 PolarHBondContact O-N 3.18Å; A3-A6 PolarHBondContact O-N 3.43Å; A3-A6 VanDerWaalsContact O-N 3.17Å; A3-V7 WeakPolarHBondContact O-CG2 3.19Å; A3-V7 PolarHBondContact O-N 3.11Å; A3-V7 VanDerWaalsContact O-N 3.13Å |
| 4 | L | 65.4 | Low | 68.4 | Low | 129 Ų | 129 | 125.1 Ų | 125.1 | 68% | 0.675 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -61.2 | -32.9 | 179.8 | -66.7 | 169.8 | 0 | 0 | 0 | 113.2 | K2 L8 | K2-L4 VanDerWaalsContact C-N 3.33Å; K2-L4 PolarHBondContact O-N 2.93Å; L4-L8 WeakPolarHBondContact O-CG 3.09Å; L4-L8 PolarHBondContact O-N 3.43Å |
| 5 | R | 70.1 | Confident | 67.8 | Low | 199 Ų | 199 | 120.9 Ų | 120.9 | 75% | 0.751 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -72 | -38.2 | 177.6 | -80.2 | -170.2 | 169.9 | -162.2 | -2.7 | 112 | K2 A3 L9 | K2-R5 PolarHBondContact O-N 3.15Å; A3-R5 VanDerWaalsContact C-N 3.26Å; A3-R5 PolarHBondContact O-N 3.18Å; R5-L9 WeakPolarHBondContact O-CG 3.48Å; R5-L9 PolarHBondContact O-N 2.62Å |
| 6 | A | 76.1 | Confident | 67.3 | Low | 53 Ų | 53 | 124.6 Ų | 124.6 | 44% | 0.438 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -66.2 | -41.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | A3 L9 I10 | A3-A6 PolarHBondContact O-N 3.43Å; A3-A6 VanDerWaalsContact O-N 3.17Å; A6-L9 PolarHBondContact O-N 2.75Å; A6-I10 WeakPolarHBondContact O-CG1 3.33Å; A6-I10 PolarHBondContact O-N 2.78Å |
| 7 | V | 72.7 | Confident | 66.2 | Low | 84 Ų | 84 | 124.7 Ų | 124.7 | 51% | 0.509 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -64.5 | -41.2 | 178.3 | 176 | 0 | 0 | 0 | 0 | 111.8 | A3 L9 I10 L11 | A3-V7 WeakPolarHBondContact O-CG2 3.19Å; A3-V7 PolarHBondContact O-N 3.11Å; A3-V7 VanDerWaalsContact O-N 3.13Å; V7-L9 PolarHBondContact O-N 2.77Å; V7-I10 PolarHBondContact O-N 3.34Å; V7-L11 HydrophobicContact CG1-CD1 4.18Å; V7-L11 WeakPolarHBondContact O-CG 3.04Å; V7-L11 PolarHBondContact O-N 2.91Å; V7-L11 VanDerWaalsContact O-N 3.13Å |
| 8 | L | 75.2 | Confident | 65.4 | Low | 107 Ų | 107 | 122.4 Ų | 122.4 | 56% | 0.56 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -64 | -39.2 | 176.9 | -77.8 | 167.9 | 0 | 0 | 0 | 113.1 | L4 L11 L12 | L4-L8 WeakPolarHBondContact O-CG 3.09Å; L4-L8 PolarHBondContact O-N 3.43Å; L8-L11 PolarHBondContact O-N 3.22Å; L8-L12 WeakPolarHBondContact O-CG 3.41Å; L8-L12 PolarHBondContact O-N 3.5Å; L8-L12 VanDerWaalsContact O-N 3.15Å |
| 9 | L | 74.1 | Confident | 64.3 | Low | 108 Ų | 108 | 122 Ų | 122 | 57% | 0.565 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -66.6 | -39.4 | 178.4 | -71.1 | 172.2 | 0 | 0 | 0 | 111.7 | R5 A6 V7 L12 L13 | R5-L9 WeakPolarHBondContact O-CG 3.48Å; R5-L9 PolarHBondContact O-N 2.62Å; A6-L9 PolarHBondContact O-N 2.75Å; V7-L9 PolarHBondContact O-N 2.77Å; L9-L12 PolarHBondContact O-N 3.06Å; L9-L13 VanDerWaalsContact O-CD1 3.29Å; L9-L13 WeakPolarHBondContact O-CD1 3.35Å; L9-L13 WeakPolarHBondContact O-CG 3.36Å; L9-L13 PolarHBondContact O-N 3.39Å |
| 10 | I | 75.4 | Confident | 63.6 | Low | 111 Ų | 111 | 118.8 Ų | 118.8 | 57% | 0.569 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -64 | -47 | 177.1 | -66.3 | 168.8 | 0 | 0 | 0 | 110.2 | A6 V7 L12 L13 S14 | A6-I10 WeakPolarHBondContact O-CG1 3.33Å; A6-I10 PolarHBondContact O-N 2.78Å; V7-I10 PolarHBondContact O-N 3.34Å; I10-L12 VanDerWaalsContact C-N 3.3Å; I10-L12 PolarHBondContact O-N 2.77Å; I10-L13 PolarHBondContact O-N 2.66Å; I10-L13 VanDerWaalsContact O-N 3.07Å; I10-S14 PolarHBondContact O-N 3.35Å; I10-S14 PolarHBondContact O-OG 2.93Å |
| 11 | L | 70.2 | Confident | 62.3 | Low | 113 Ų | 113 | 125.4 Ų | 125.4 | 59% | 0.592 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -60.5 | -35 | 178.6 | -71.2 | 169.5 | 0 | 0 | 0 | 113.6 | V7 L8 G15 | V7-L11 HydrophobicContact CG1-CD1 4.18Å; V7-L11 WeakPolarHBondContact O-CG 3.04Å; V7-L11 PolarHBondContact O-N 2.91Å; V7-L11 VanDerWaalsContact O-N 3.13Å; L8-L11 PolarHBondContact O-N 3.22Å; L11-G15 PolarHBondContact O-N 2.89Å |
| 12 | L | 70.1 | Confident | 61.7 | Low | 139 Ų | 139 | 119.2 Ų | 119.2 | 73% | 0.728 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -69.9 | -33.2 | 175.6 | -74.8 | 165.1 | 0 | 0 | 0 | 112.3 | L8 L9 I10 | L8-L12 WeakPolarHBondContact O-CG 3.41Å; L8-L12 PolarHBondContact O-N 3.5Å; L8-L12 VanDerWaalsContact O-N 3.15Å; L9-L12 PolarHBondContact O-N 3.06Å; I10-L12 VanDerWaalsContact C-N 3.3Å; I10-L12 PolarHBondContact O-N 2.77Å |
| 13 | L | 66.3 | Low | 60.9 | Low | 151 Ų | 151 | 118.3 Ų | 118.3 | 79% | 0.791 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -82.8 | -26.5 | -179.3 | -72 | 158.6 | 0 | 0 | 0 | 112.7 | L9 I10 | L9-L13 VanDerWaalsContact O-CD1 3.29Å; L9-L13 WeakPolarHBondContact O-CD1 3.35Å; L9-L13 WeakPolarHBondContact O-CG 3.36Å; L9-L13 PolarHBondContact O-N 3.39Å; I10-L13 PolarHBondContact O-N 2.66Å; I10-L13 VanDerWaalsContact O-N 3.07Å |
| 14 | S | 66.3 | Low | 60.1 | Low | 78 Ų | 78 | 121.5 Ų | 121.5 | 55% | 0.545 | 69% | 0.687 | S | S | . | * | S | Bend | trans | -97.7 | 12.8 | 178.4 | 51.4 | 0 | 0 | 0 | 0 | 114.4 | I10 Q16 | I10-S14 PolarHBondContact O-N 3.35Å; I10-S14 PolarHBondContact O-OG 2.93Å; S14-Q16 VanDerWaalsContact C-N 3.33Å; S14-Q16 PolarHBondContact O-N 2.83Å |
| 15 | G | 58.7 | Low | 59.2 | Low | 62 Ų | 62 | 122.5 Ų | 122.5 | 64% | 0.639 | 69% | 0.693 | S | S | * | * | trans | -69.6 | 85.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L11 | L11-G15 PolarHBondContact O-N 2.89Š| ||
| 16 | Q | 60.3 | Low | 57.6 | Low | 181 Ų | 181 | 116.5 Ų | 116.5 | 85% | 0.846 | 69% | 0.693 | S | S | * | * | trans | -67.8 | 136.4 | 170.6 | -145.4 | 172.4 | 30.3 | 0 | 0 | 109.9 | S14 G18 | S14-Q16 VanDerWaalsContact C-N 3.33Å; S14-Q16 PolarHBondContact O-N 2.83Å; Q16-G18 PolarHBondContact O-N 2.79Å | ||
| 17 | P | 48.4 | Very low | 56.4 | Low | 126 Ų | 126 | 122.2 Ų | 122.2 | 82% | 0.818 | 72% | 0.716 | S | S | * | * | trans | -70.1 | 113.4 | 170.6 | 27.3 | -30.6 | 0 | 0 | 0 | 109.2 | ||||
| 18 | G | 50.7 | Low | 55.2 | Low | 83 Ų | 83 | 122.1 Ų | 122.1 | 86% | 0.856 | 72% | 0.724 | S | S | * | * | trans | -91.9 | 111.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q16 | Q16-G18 PolarHBondContact O-N 2.79Š| ||
| 19 | S | 45.5 | Very low | 54.6 | Low | 115 Ų | 115 | 124.3 Ų | 124.3 | 80% | 0.804 | 74% | 0.737 | S | S | * | * | trans | -121.5 | 107.1 | 144.5 | 56 | 0 | 0 | 0 | 0 | 105 | ||||
| 20 | G | 50.7 | Low | 53.5 | Low | 57 Ų | 57 | 124.6 Ų | 124.6 | 59% | 0.588 | 75% | 0.745 | S | S | * | * | 62.9 | 111.6 | 115.1 | 0 | 0 | 0 | 0 | 0 | 110 | |||||
| 21 | W | 36.6 | Very low | 52.3 | Low | 259 Ų | 259 | 127.5 Ų | 127.5 | 98% | 0.981 | 76% | 0.756 | S | S | * | * | -151.5 | 150.4 | 68.2 | -68.3 | 87.9 | 0 | 0 | 0 | 111.2 | |||||
| 22 | A | 46.5 | Very low | 51.8 | Low | 88 Ų | 88 | 125.7 Ų | 125.7 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | trans | -81.1 | 158.3 | 173 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 23 | Q | 40 | Very low | 50.7 | Low | 167 Ų | 167 | 126.6 Ų | 126.6 | 78% | 0.78 | 75% | 0.752 | S | S | * | * | trans | 87.2 | 134 | 151.1 | -144.2 | 163.8 | -22.2 | 0 | 0 | 115.3 | ||||
| 24 | E | 43.7 | Very low | 49.7 | Very low | 141 Ų | 141 | 125.6 Ų | 125.6 | 66% | 0.659 | 75% | 0.747 | S | S | * | * | cis | -174 | 144.2 | -6.9 | 174.2 | 167.8 | 83.4 | 0 | 0 | 106.5 | ||||
| 25 | D | 45 | Very low | 48.9 | Very low | 150 Ų | 150 | 131.4 Ų | 131.4 | 80% | 0.802 | 76% | 0.759 | S | S | * | * | trans | 38.4 | 128.6 | 151.1 | -48.7 | -21.2 | 0 | 0 | 0 | 122.1 | ||||
| 26 | G | 36.3 | Very low | 48.6 | Very low | 73 Ų | 73 | 134.7 Ų | 134.7 | 75% | 0.753 | 76% | 0.762 | S | S | * | * | trans | 166.4 | 89.9 | 158.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | A28 | G26-A28 PolarHBondContact O-N 2.7Š| ||
| 27 | D | 52.5 | Low | 48.2 | Very low | 173 Ų | 173 | 137.8 Ų | 137.8 | 93% | 0.925 | 77% | 0.767 | S | S | * | * | trans | -61.6 | 113.7 | 161.4 | -171.5 | -108.3 | 0 | 0 | 0 | 109.2 | ||||
| 28 | A | 46 | Very low | 48.8 | Very low | 83 Ų | 83 | 138 Ų | 138 | 69% | 0.686 | 76% | 0.761 | S | S | * | * | trans | -163 | 106.3 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | G26 P30 | G26-A28 PolarHBondContact O-N 2.7Å; A28-P30 WeakPolarHBondContact O-CD 3.38Å | ||
| 29 | D | 63.9 | Low | 49.1 | Very low | 152 Ų | 152 | 140.1 Ų | 140.1 | 81% | 0.813 | 75% | 0.753 | S | S | * | * | trans | -59.1 | 131.1 | 155.9 | 175.3 | 38 | 0 | 0 | 0 | 109.6 | ||||
| 30 | P | 50.2 | Low | 49.7 | Very low | 115 Ų | 115 | 141.5 Ų | 141.5 | 75% | 0.747 | 75% | 0.752 | S | S | * | * | -149.5 | 127.7 | 124.9 | 32.6 | -13.4 | 0 | 0 | 0 | 114.7 | A28 | A28-P30 WeakPolarHBondContact O-CD 3.38Š| |||
| 31 | E | 49.6 | Very low | 50.1 | Low | 171 Ų | 171 | 146.2 Ų | 146.2 | 80% | 0.799 | 76% | 0.763 | S | S | * | * | trans | -94.4 | 165.5 | 144.8 | -125 | -167 | 62.1 | 0 | 0 | 108.4 | ||||
| 32 | P | 59.6 | Low | 51.2 | Low | 75 Ų | 75 | 140.9 Ų | 140.9 | 49% | 0.487 | 75% | 0.754 | S | S | . | * | cis | -130.4 | -170.8 | -49.8 | 21.1 | 2.3 | 0 | 0 | 0 | 111.7 | ||||
| 33 | E | 47.2 | Very low | 51.6 | Low | 159 Ų | 159 | 145.7 Ų | 145.7 | 74% | 0.743 | 76% | 0.762 | S | S | * | * | trans | 95.7 | 129.2 | 152.8 | -34.6 | -53.9 | 179 | 0 | 0 | 120.7 | ||||
| 34 | N | 45.8 | Very low | 52.3 | Low | 129 Ų | 129 | 145.7 Ų | 145.7 | 69% | 0.69 | 76% | 0.762 | S | S | * | * | trans | 116.2 | 88.4 | 136.4 | -155.6 | -53.9 | 0 | 0 | 0 | 118 | ||||
| 35 | Y | 48.8 | Very low | 52.7 | Low | 201 Ų | 201 | 147.9 Ų | 147.9 | 79% | 0.788 | 77% | 0.772 | S | S | * | * | trans | 51.5 | 133.5 | 135.1 | -48.8 | -61 | 0 | 0 | 0 | 123.7 | ||||
| 36 | N | 53.2 | Low | 53 | Low | 131 Ų | 131 | 149.2 Ų | 149.2 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | trans | 100.8 | 84.4 | 137 | -153.5 | 75.3 | 0 | 0 | 0 | 116.8 | ||||
| 37 | Y | 51.5 | Low | 53.9 | Low | 245 Ų | 245 | 153.4 Ų | 153.4 | 96% | 0.961 | 77% | 0.773 | S | S | * | * | trans | -99.7 | 98.8 | 146.4 | -70.2 | -76.5 | 0 | 0 | 0 | 107.4 | ||||
| 38 | D | 61.9 | Low | 53.9 | Low | 130 Ų | 130 | 152.1 Ų | 152.1 | 70% | 0.695 | 76% | 0.762 | S | S | * | * | trans | -80.3 | 156.6 | 156.3 | -169.3 | 24.8 | 0 | 0 | 0 | 107.7 | ||||
| 39 | D | 56.4 | Low | 54.1 | Low | 128 Ų | 128 | 153.6 Ų | 153.6 | 68% | 0.684 | 76% | 0.762 | S | S | * | * | trans | 89.9 | 92.7 | 168.9 | -132.6 | 31 | 0 | 0 | 0 | 117.3 | ||||
| 40 | D | 59.1 | Low | 53.7 | Low | 145 Ų | 145 | 151.5 Ų | 151.5 | 78% | 0.775 | 75% | 0.751 | S | S | * | * | 45.9 | 102.5 | 124 | -68.7 | -19.5 | 0 | 0 | 0 | 117.3 | |||||
| 41 | D | 57.6 | Low | 53.9 | Low | 156 Ų | 156 | 153.6 Ų | 153.6 | 83% | 0.834 | 75% | 0.753 | S | S | * | * | trans | -134.2 | 120.3 | 140 | -145.5 | 2.5 | 0 | 0 | 0 | 107.7 | E43 | D41-E43 PolarHBondContact O-N 2.71Š| ||
| 42 | D | 61.1 | Low | 54.5 | Low | 147 Ų | 147 | 150.3 Ų | 150.3 | 79% | 0.786 | 74% | 0.74 | S | S | * | * | trans | -51.9 | 96.9 | 177.9 | -75.4 | -67 | 0 | 0 | 0 | 109.9 | E44 | D42-E44 PolarHBondContact O-N 2.67Š| ||
| 43 | E | 53.4 | Low | 53.7 | Low | 189 Ų | 189 | 153.1 Ų | 153.1 | 88% | 0.883 | 76% | 0.758 | S | S | * | * | trans | -70.3 | 78.6 | 155.6 | -72.6 | -175.3 | -155.2 | 0 | 0 | 106.3 | D41 E45 | D41-E43 PolarHBondContact O-N 2.71Å; E43-E45 PolarHBondContact O-N 2.63Å | ||
| 44 | E | 55.3 | Low | 54 | Low | 167 Ų | 167 | 148 Ų | 148 | 78% | 0.78 | 75% | 0.748 | S | S | * | * | trans | -47.6 | 98.3 | 148.7 | -69.2 | -167.9 | -176.4 | 0 | 0 | 104.6 | D42 E46 | D42-E44 PolarHBondContact O-N 2.67Å; E44-E46 PolarHBondContact O-N 3.48Å | ||
| 45 | E | 52.6 | Low | 54.6 | Low | 186 Ų | 186 | 145.5 Ų | 145.5 | 87% | 0.869 | 74% | 0.74 | S | S | * | * | trans | -51 | 100.3 | 161.3 | -101.2 | -171 | 160.2 | 0 | 0 | 103.4 | E43 E47 | E43-E45 PolarHBondContact O-N 2.63Å; E45-E47 PolarHBondContact O-N 3.03Å | ||
| 46 | E | 51.6 | Low | 54.9 | Low | 179 Ų | 179 | 147.8 Ų | 147.8 | 84% | 0.836 | 75% | 0.748 | S | S | * | * | trans | -56.7 | 94.3 | 164.1 | -62.3 | -157.7 | -168.7 | 0 | 0 | 103.3 | E44 E48 | E44-E46 PolarHBondContact O-N 3.48Å; E46-E48 WeakPolarHBondContact O-CA 3.47Å; E46-E48 PolarHBondContact O-N 3.47Å | ||
| 47 | E | 55.7 | Low | 55.2 | Low | 161 Ų | 161 | 149 Ų | 149 | 75% | 0.752 | 75% | 0.754 | S | S | * | * | trans | -49.7 | 101.5 | 167.2 | 179.6 | -169.9 | 166 | 0 | 0 | 102.4 | E45 T49 | E45-E47 PolarHBondContact O-N 3.03Å; E47-T49 WeakPolarHBondContact O-CG2 3.18Å; E47-T49 PolarHBondContact O-N 2.93Å | ||
| 48 | E | 50.8 | Low | 56.1 | Low | 146 Ų | 146 | 145 Ų | 145 | 68% | 0.682 | 74% | 0.737 | S | S | * | * | trans | -62.9 | 95.7 | -169.4 | -171.3 | -166.1 | 96.6 | 0 | 0 | 105.3 | E46 N50 | E46-E48 WeakPolarHBondContact O-CA 3.47Å; E46-E48 PolarHBondContact O-N 3.47Å; E48-N50 HydrophobicContact CG-CB 3.69Å; E48-N50 WeakPolarHBondContact CG-ND2 3.09Å; E48-N50 WeakPolarHBondContact CG-OD1 3.02Å; E48-N50 PolarHBondContact O-N 3.24Å; E48-N50 WeakPolarHBondContact OE1-CB 3.03Å; E48-N50 PolarHBondContact OE1-ND2 2.93Å; E48-N50 PolarHBondContact OE2-ND2 3.27Å | ||
| 49 | T | 50.5 | Low | 56.9 | Low | 114 Ų | 114 | 143 Ų | 143 | 70% | 0.699 | 74% | 0.739 | S | S | * | * | trans | -68.8 | 28.3 | 176.4 | 61.1 | 0 | 0 | 0 | 0 | 110.5 | E47 M51 | E47-T49 WeakPolarHBondContact O-CG2 3.18Å; E47-T49 PolarHBondContact O-N 2.93Å; T49-M51 PolarHBondContact O-N 2.03Å | ||
| 50 | N | 55.2 | Low | 58.3 | Low | 108 Ų | 108 | 140.8 Ų | 140.8 | 58% | 0.578 | 73% | 0.732 | S | S | * | * | trans | -66.1 | 21.4 | 171.7 | -75.5 | 12.3 | 0 | 0 | 0 | 112.6 | E48 I52 | E48-N50 HydrophobicContact CG-CB 3.69Å; E48-N50 WeakPolarHBondContact CG-ND2 3.09Å; E48-N50 WeakPolarHBondContact CG-OD1 3.02Å; E48-N50 PolarHBondContact O-N 3.24Å; E48-N50 WeakPolarHBondContact OE1-CB 3.03Å; E48-N50 PolarHBondContact OE1-ND2 2.93Å; E48-N50 PolarHBondContact OE2-ND2 3.27Å; N50-I52 PolarHBondContact O-N 2.03Å | ||
| 51 | M | 56.2 | Low | 59.7 | Low | 158 Ų | 158 | 137.2 Ų | 137.2 | 78% | 0.778 | 71% | 0.712 | S | S | * | * | trans | -59.1 | 86.4 | 148.8 | -62.4 | -148.6 | -168.3 | 0 | 0 | 108.5 | T49 P53 | T49-M51 PolarHBondContact O-N 2.03Å; M51-P53 WeakPolarHBondContact O-CD 3.03Å | ||
| 52 | I | 60.3 | Low | 61.4 | Low | 103 Ų | 103 | 134.7 Ų | 134.7 | 53% | 0.528 | 70% | 0.696 | S | S | . | * | trans | -47.6 | 112 | 168.4 | -59.5 | 166.4 | 0 | 0 | 0 | 106.9 | N50 G54 S55 | N50-I52 PolarHBondContact O-N 2.03Å; I52-G54 PolarHBondContact O-N 2.82Å; I52-S55 PolarHBondContact O-N 2.94Å | ||
| 53 | P | 44.5 | Very low | 62.8 | Low | 133 Ų | 133 | 127.9 Ų | 127.9 | 86% | 0.864 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | 109.1 | -178.7 | -20.6 | 32.3 | 0 | 0 | 0 | 108 | M51 | M51-P53 WeakPolarHBondContact O-CD 3.03Š|
| 54 | G | 53.4 | Low | 64.7 | Low | 53 Ų | 53 | 124.1 Ų | 124.1 | 55% | 0.546 | 64% | 0.638 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 134.3 | 0.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 116 | I52 R56 D57 | I52-G54 PolarHBondContact O-N 2.82Å; G54-R56 PolarHBondContact O-N 3.31Å; G54-R56 VanDerWaalsContact O-N 3.15Å; G54-D57 PolarHBondContact O-N 2.81Å |
| 55 | S | 56.8 | Low | 66.2 | Low | 75 Ų | 75 | 120.3 Ų | 120.3 | 52% | 0.524 | 62% | 0.619 | S | S | . | * | G | 310 helix | trans | -65.8 | -15.4 | 178.3 | 88.1 | 0 | 0 | 0 | 0 | 114.4 | I52 D57 R58 | I52-S55 PolarHBondContact O-N 2.94Å; S55-D57 PolarHBondContact O-N 2.97Å; S55-R58 PolarHBondContact O-N 2.85Å; S55-R58 VanDerWaalsContact O-N 3.11Å |
| 56 | R | 56.3 | Low | 67.8 | Low | 249 Ų | 249 | 112.1 Ų | 112.1 | 94% | 0.94 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -65.1 | -15.6 | 179.3 | -122.1 | 172.1 | 80 | -178.5 | 5 | 114.3 | G54 | G54-R56 PolarHBondContact O-N 3.31Å; G54-R56 VanDerWaalsContact O-N 3.15Å |
| 57 | D | 58.2 | Low | 69.1 | Low | 157 Ų | 157 | 111.5 Ų | 111.5 | 84% | 0.84 | 58% | 0.579 | S | S | * | * | G | 310 helix | trans | -112.5 | 12.1 | 176.9 | -121.1 | -67.5 | 0 | 0 | 0 | 112.8 | G54 S55 A59 | G54-D57 PolarHBondContact O-N 2.81Å; S55-D57 PolarHBondContact O-N 2.97Å; D57-A59 PolarHBondContact O-N 2.76Å |
| 58 | R | 71.1 | Confident | 70.3 | Confident | 160 Ų | 160 | 107.2 Ų | 107.2 | 60% | 0.604 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -74.2 | 128 | 172.2 | -71.1 | -175.6 | -176.3 | -158.8 | 2.7 | 108.8 | S55 | S55-R58 PolarHBondContact O-N 2.85Å; S55-R58 VanDerWaalsContact O-N 3.11Å |
| 59 | A | 79.6 | Confident | 71.9 | Confident | 89 Ų | 89 | 101.8 Ų | 101.8 | 74% | 0.736 | 54% | 0.539 | S | S | * | . | P | Polyproline II helix | trans | -50.1 | 139.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | D57 L61 | D57-A59 PolarHBondContact O-N 2.76Å; A59-L61 PolarHBondContact O-N 2.03Å |
| 60 | P | 84.2 | Confident | 73.3 | Confident | 82 Ų | 82 | 101 Ų | 101 | 53% | 0.532 | 53% | 0.527 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 135.7 | -177.5 | 23.8 | -32.2 | 0 | 0 | 0 | 110.2 | Q62 | P60-Q62 PolarHBondContact O-N 2.85Š|
| 61 | L | 89.4 | Confident | 74.6 | Confident | 70 Ų | 70 | 101.9 Ų | 101.9 | 37% | 0.366 | 54% | 0.542 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 130 | 178.6 | 178.7 | 70.8 | 0 | 0 | 0 | 109.6 | A59 S80 C81 F87 | A59-L61 PolarHBondContact O-N 2.03Å; L61-S80 CarbonylContact O-C 3.54Å; L61-S80 WeakPolarHBondContact O-CA 3.45Å; L61-C81 HydrophobicContact CB-CB 4.25Å; L61-C81 PolarHBondContact O-N 3.04Å; L61-F87 VanDerWaalsContact CD2-CA 3.45Å |
| 62 | Q | 92.6 | Very high | 75.8 | Confident | 103 Ų | 103 | 98.5 Ų | 98.5 | 48% | 0.481 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 118.2 | 176 | -69.8 | -89.7 | 82 | 0 | 0 | 108.9 | P60 Q79 S80 | P60-Q62 PolarHBondContact O-N 2.85Å; Q62-Q79 VanDerWaalsContact OE1-C 3.26Å; Q62-S80 PolarHBondContact OE1-OG 3.23Å |
| 63 | C | 92.2 | Very high | 77 | Confident | 4 Ų | 4 | 98.6 Ų | 98.6 | 3% | 0.027 | 55% | 0.546 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 153.8 | 175.3 | -63.2 | 0 | 0 | 0 | 0 | 110.3 | T78 Q79 C81 C88 | C63-T78 CarbonylContact O-C 3.38Å; C63-T78 WeakPolarHBondContact O-CA 3.06Å; C63-Q79 PolarHBondContact N-O 2.86Å; C63-Q79 PolarHBondContact O-N 2.98Å; C63-C81 PolarHBondContact SG-SG 2.73Å; C63-C88 VanDerWaalsContact CA-SG 3.55Å; C63-C88 HydrophobicContact CB-CB 3.86Å; C63-C88 WeakPolarHBondContact CB-SG 3.1Å; C63-C88 WeakPolarHBondContact SG-CA 3.45Å; C63-C88 WeakPolarHBondContact SG-CB 3.2Å; C63-C88 CovalentContact SG-SG 2.03Å; C63-C88 PolarHBondContact SG-SG 3.17Å |
| 64 | Y | 91.8 | Very high | 79.1 | Confident | 110 Ų | 110 | 96.7 Ų | 96.7 | 43% | 0.431 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 144.5 | 167.8 | -72.5 | -75.8 | 0 | 0 | 0 | 110.2 | C75 Q77 T78 L101 | Y64-C75 HydrophobicContact CD1-CB 4.38Å; Y64-C75 VanDerWaalsContact CD1-O 3.32Å; Y64-C75 WeakPolarHBondContact CD1-O 3.14Å; Y64-C75 VanDerWaalsContact CE1-O 3.23Å; Y64-C75 WeakPolarHBondContact CE1-O 3.08Å; Y64-Q77 CarbonylContact C-O 3.51Å; Y64-Q77 VanDerWaalsContact CA-O 3.25Å; Y64-Q77 WeakPolarHBondContact CA-O 3.44Å; Y64-Q77 WeakPolarHBondContact CD1-O 3.03Å; Y64-T78 HydrophobicContact CD1-CG2 3.68Å; Y64-T78 HydrophobicContact CE1-CG2 3.68Å; Y64-T78 HydrophobicContact CG-CG2 4.29Å; Y64-L101 CarbonylContact O-C 3.38Å; Y64-L101 WeakPolarHBondContact O-CB 3.29Å |
| 65 | F | 87.7 | Confident | 80.7 | Confident | 87 Ų | 87 | 95 Ų | 95 | 38% | 0.382 | 52% | 0.516 | S | S | . | . | trans | -136.1 | 108.6 | 176.2 | -172.8 | -95.8 | 0 | 0 | 0 | 109.9 | Q77 Q79 V102 | F65-Q77 PolarHBondContact N-O 2.78Å; F65-Q77 WeakPolarHBondContact O-CB 3.1Å; F65-Q79 HydrophobicContact CB-CB 4.16Å; F65-V102 HydrophobicContact CE2-CG1 4.3Å | ||
| 66 | C | 85.8 | Confident | 82.3 | Confident | 14 Ų | 14 | 97.5 Ų | 97.5 | 10% | 0.095 | 52% | 0.523 | C | S | . | . | trans | -138.9 | 145.2 | 176 | -74.6 | 0 | 0 | 0 | 0 | 108.6 | L69 C75 S100 | C66-L69 HydrophobicContact CB-CD1 3.97Å; C66-L69 HydrophobicContact CB-CD2 4.16Å; C66-L69 HydrophobicContact CB-CG 3.99Å; C66-C75 HydrophobicContact CB-CB 3.97Å; C66-C75 WeakPolarHBondContact CB-SG 3.25Å; C66-C75 VanDerWaalsContact SG-CA 3.59Å; C66-C75 WeakPolarHBondContact SG-CB 3.39Å; C66-C75 CovalentContact SG-SG 2.03Å; C66-C75 PolarHBondContact SG-SG 2.87Å; C66-S100 WeakPolarHBondContact O-CA 3.47Å; C66-S100 WeakPolarHBondContact O-CB 3.39Å; C66-S100 PolarHBondContact O-OG 3.47Å | ||
| 67 | Q | 79.3 | Confident | 83.9 | Confident | 166 Ų | 166 | 92.3 Ų | 92.3 | 78% | 0.776 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -72.5 | -67.6 | -177.8 | -71 | 176.4 | 63 | 0 | 0 | 110.7 | S100 | Q67-S100 WeakPolarHBondContact O-CB 3.42Š|
| 68 | V | 81.3 | Confident | 85.5 | Confident | 71 Ų | 71 | 88.4 Ų | 88.4 | 43% | 0.43 | 49% | 0.492 | S | S | . | . | trans | -136.3 | 125.6 | -177 | 173.6 | 0 | 0 | 0 | 0 | 106.9 | T97 | V68-T97 HydrophobicContact CG1-CG2 3.42Å; V68-T97 VanDerWaalsContact CG1-CG2 3.42Å | ||
| 69 | L | 82.8 | Confident | 86.4 | Confident | 31 Ų | 31 | 85.8 Ų | 85.8 | 16% | 0.162 | 49% | 0.486 | C | S | . | . | trans | -114.8 | 132 | 172.1 | -65.1 | 164 | 0 | 0 | 0 | 107.9 | C66 E73 C75 S99 | C66-L69 HydrophobicContact CB-CD1 3.97Å; C66-L69 HydrophobicContact CB-CD2 4.16Å; C66-L69 HydrophobicContact CB-CG 3.99Å; L69-E73 HydrophobicContact CD2-CB 4.08Å; L69-C75 HydrophobicContact CD1-CB 3.73Å; L69-C75 HydrophobicContact CD2-CB 4.34Å; L69-S99 WeakPolarHBondContact CD1-O 3.34Å | ||
| 70 | H | 81.3 | Confident | 87 | Confident | 97 Ų | 97 | 84.7 Ų | 84.7 | 45% | 0.449 | 47% | 0.473 | S | S | . | . | trans | -83 | 159.6 | 166.9 | -54.4 | 83.1 | 0 | 0 | 0 | 109.7 | G72 E73 T97 | H70-G72 PolarHBondContact O-N 2.62Å; H70-E73 HydrophobicContact CB-CG 4.13Å; H70-E73 WeakPolarHBondContact CB-OE2 3.41Å; H70-E73 IonicContact CG-OE2 3.48Å; H70-E73 PolarHBondContact N-OE2 3.01Å; H70-E73 IonicContact ND1-OE1 3.69Å; H70-E73 IonicContact ND1-OE2 2.86Å; H70-E73 PolarHBondContact ND1-OE2 3.14Å; H70-E73 WeakPolarHBondContact O-CB 3.03Å; H70-E73 PolarHBondContact O-N 3.31Å; H70-T97 WeakPolarHBondContact CD2-CG2 3.36Å; H70-T97 WeakPolarHBondContact NE2-CG2 3.46Å | ||
| 71 | S | 80.9 | Confident | 87.3 | Confident | 127 Ų | 127 | 81.2 Ų | 81.2 | 89% | 0.888 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | 125.3 | 176 | -62.5 | 0 | 0 | 0 | 0 | 111.5 | ||
| 72 | G | 82.3 | Confident | 87.2 | Confident | 88 Ų | 88 | 80.8 Ų | 80.8 | 91% | 0.907 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91 | -6.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | H70 | H70-G72 PolarHBondContact O-N 2.62Š|
| 73 | E | 86.6 | Confident | 86.8 | Confident | 105 Ų | 105 | 82 Ų | 82 | 49% | 0.491 | 47% | 0.473 | S | S | . | . | trans | -79.9 | 151.4 | 170.2 | -61.4 | -174.6 | 133.6 | 0 | 0 | 111.1 | L69 H70 | L69-E73 HydrophobicContact CD2-CB 4.08Å; H70-E73 HydrophobicContact CB-CG 4.13Å; H70-E73 WeakPolarHBondContact CB-OE2 3.41Å; H70-E73 IonicContact CG-OE2 3.48Å; H70-E73 PolarHBondContact N-OE2 3.01Å; H70-E73 IonicContact ND1-OE1 3.69Å; H70-E73 IonicContact ND1-OE2 2.86Å; H70-E73 PolarHBondContact ND1-OE2 3.14Å; H70-E73 WeakPolarHBondContact O-CB 3.03Å; H70-E73 PolarHBondContact O-N 3.31Å | ||
| 74 | S | 86.8 | Confident | 86.4 | Confident | 92 Ų | 92 | 84.4 Ų | 84.4 | 64% | 0.643 | 49% | 0.49 | S | S | * | . | trans | -115.9 | 138.9 | 176.3 | 65.4 | 0 | 0 | 0 | 0 | 111.2 | N76 | S74-N76 PolarHBondContact OG-ND2 3.13Š| ||
| 75 | C | 88.3 | Confident | 86.2 | Confident | 19 Ų | 19 | 82.9 Ų | 82.9 | 13% | 0.128 | 49% | 0.486 | C | S | . | . | trans | -94.6 | 124.2 | 173.1 | -171.3 | 0 | 0 | 0 | 0 | 109.8 | Y64 C66 L69 | Y64-C75 HydrophobicContact CD1-CB 4.38Å; Y64-C75 VanDerWaalsContact CD1-O 3.32Å; Y64-C75 WeakPolarHBondContact CD1-O 3.14Å; Y64-C75 VanDerWaalsContact CE1-O 3.23Å; Y64-C75 WeakPolarHBondContact CE1-O 3.08Å; C66-C75 HydrophobicContact CB-CB 3.97Å; C66-C75 WeakPolarHBondContact CB-SG 3.25Å; C66-C75 VanDerWaalsContact SG-CA 3.59Å; C66-C75 WeakPolarHBondContact SG-CB 3.39Å; C66-C75 CovalentContact SG-SG 2.03Å; C66-C75 PolarHBondContact SG-SG 2.87Å; L69-C75 HydrophobicContact CD1-CB 3.73Å; L69-C75 HydrophobicContact CD2-CB 4.34Å | ||
| 76 | N | 91 | Very high | 86.1 | Confident | 126 Ų | 126 | 82.8 Ų | 82.8 | 67% | 0.674 | 49% | 0.494 | S | S | * | . | trans | -118 | -0.5 | 177.2 | -66.9 | -76 | 0 | 0 | 0 | 112.9 | S74 | S74-N76 PolarHBondContact OG-ND2 3.13Š| ||
| 77 | Q | 89.9 | Confident | 86.1 | Confident | 140 Ų | 140 | 84.9 Ų | 84.9 | 65% | 0.654 | 50% | 0.502 | S | S | * | . | trans | -86.7 | 127.3 | 178.1 | -70 | -172.4 | 99.5 | 0 | 0 | 109.6 | Y64 F65 | Y64-Q77 CarbonylContact C-O 3.51Å; Y64-Q77 VanDerWaalsContact CA-O 3.25Å; Y64-Q77 WeakPolarHBondContact CA-O 3.44Å; Y64-Q77 WeakPolarHBondContact CD1-O 3.03Å; F65-Q77 PolarHBondContact N-O 2.78Å; F65-Q77 WeakPolarHBondContact O-CB 3.1Å | ||
| 78 | T | 91.2 | Very high | 86.6 | Confident | 76 Ų | 76 | 79.7 Ų | 79.7 | 47% | 0.466 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 149.9 | 176.5 | 55.2 | 0 | 0 | 0 | 0 | 111 | C63 Y64 | C63-T78 CarbonylContact O-C 3.38Å; C63-T78 WeakPolarHBondContact O-CA 3.06Å; Y64-T78 HydrophobicContact CD1-CG2 3.68Å; Y64-T78 HydrophobicContact CE1-CG2 3.68Å; Y64-T78 HydrophobicContact CG-CG2 4.29Å |
| 79 | Q | 90.4 | Very high | 87 | Confident | 105 Ų | 105 | 78.5 Ų | 78.5 | 49% | 0.491 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 145.3 | 176.8 | -175.9 | 174.2 | 67.6 | 0 | 0 | 109.9 | Q62 C63 F65 | Q62-Q79 VanDerWaalsContact OE1-C 3.26Å; C63-Q79 PolarHBondContact N-O 2.86Å; C63-Q79 PolarHBondContact O-N 2.98Å; F65-Q79 HydrophobicContact CB-CB 4.16Å |
| 80 | S | 91.5 | Very high | 87 | Confident | 65 Ų | 65 | 80.4 Ų | 80.4 | 46% | 0.455 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 133.7 | 175.1 | -56 | 0 | 0 | 0 | 0 | 110.9 | L61 Q62 | L61-S80 CarbonylContact O-C 3.54Å; L61-S80 WeakPolarHBondContact O-CA 3.45Å; Q62-S80 PolarHBondContact OE1-OG 3.23Å |
| 81 | C | 89.3 | Confident | 87.1 | Confident | 9 Ų | 9 | 79 Ų | 79 | 6% | 0.061 | 48% | 0.482 | C | S | . | . | P | Polyproline II helix | trans | -86.7 | 147.4 | 173.6 | -62 | 0 | 0 | 0 | 0 | 111.3 | L61 C63 K85 C103 | L61-C81 HydrophobicContact CB-CB 4.25Å; L61-C81 PolarHBondContact O-N 3.04Å; C63-C81 PolarHBondContact SG-SG 2.73Å; C81-K85 HydrophobicContact CB-CB 4.48Å; C81-C103 WeakPolarHBondContact CA-SG 3.23Å; C81-C103 HydrophobicContact CB-CB 3.73Å; C81-C103 WeakPolarHBondContact CB-SG 3.32Å; C81-C103 WeakPolarHBondContact SG-CB 3.41Å; C81-C103 CovalentContact SG-SG 2.03Å; C81-C103 PolarHBondContact SG-SG 3.49Å |
| 82 | S | 87.8 | Confident | 87.1 | Confident | 61 Ų | 61 | 78.4 Ų | 78.4 | 43% | 0.427 | 47% | 0.473 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 152.5 | 167.8 | 72.5 | 0 | 0 | 0 | 0 | 110.4 | S84 K85 | S82-S84 PolarHBondContact O-N 3.29Å; S82-S84 PolarHBondContact OG-N 3.24Å; S82-S84 PolarHBondContact OG-OG 2.93Å; S82-K85 PolarHBondContact O-N 3.41Å |
| 83 | S | 85 | Confident | 87 | Confident | 128 Ų | 128 | 76.4 Ų | 76.4 | 90% | 0.895 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -27.3 | 173.3 | 53.4 | 0 | 0 | 0 | 0 | 113.9 | K85 | S83-K85 PolarHBondContact O-N 2.93Š|
| 84 | S | 83.2 | Confident | 86.4 | Confident | 56 Ų | 56 | 81 Ų | 81 | 39% | 0.392 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -4.6 | 176.3 | 78.2 | 0 | 0 | 0 | 0 | 114.7 | S82 | S82-S84 PolarHBondContact O-N 3.29Å; S82-S84 PolarHBondContact OG-N 3.24Å; S82-S84 PolarHBondContact OG-OG 2.93Å |
| 85 | K | 87.6 | Confident | 85.4 | Confident | 77 Ų | 77 | 82 Ų | 82 | 34% | 0.335 | 47% | 0.473 | S | S | . | . | trans | -128.5 | 84.1 | -176.7 | -68.8 | -176.3 | 164.2 | -153.6 | 0 | 109.9 | C81 S82 S83 F87 C103 G104 R105 | C81-K85 HydrophobicContact CB-CB 4.48Å; S82-K85 PolarHBondContact O-N 3.41Å; S83-K85 PolarHBondContact O-N 2.93Å; K85-F87 VanDerWaalsContact C-N 3.25Å; K85-F87 PolarHBondContact O-N 3.07Å; K85-C103 HydrophobicContact CB-CB 3.78Å; K85-C103 HydrophobicContact CD-CB 3.45Å; K85-C103 VanDerWaalsContact CD-CB 3.45Å; K85-C103 WeakPolarHBondContact CD-O 3.22Å; K85-C103 WeakPolarHBondContact CE-O 3.05Å; K85-C103 HydrophobicContact CG-CB 4.26Å; K85-C103 PolarHBondContact NZ-O 3.17Å; K85-G104 CarbonylContact C-O 3.51Å; K85-G104 WeakPolarHBondContact CA-O 3.38Å; K85-G104 WeakPolarHBondContact CB-O 3.38Å; K85-R105 HydrophobicContact CG-CG 4.01Å | ||
| 86 | P | 85.8 | Confident | 83.8 | Confident | 86 Ų | 86 | 83.3 Ų | 83.3 | 56% | 0.558 | 49% | 0.489 | S | S | * | . | trans | -82 | 6.3 | -165.5 | 29.6 | -30.9 | 0 | 0 | 0 | 114.6 | ||||
| 87 | F | 85.8 | Confident | 82.3 | Confident | 57 Ų | 57 | 80.1 Ų | 80.1 | 25% | 0.25 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 163.8 | -179.3 | 55.2 | -95.1 | 0 | 0 | 0 | 114 | L61 K85 I89 G104 R105 Q106 | L61-F87 VanDerWaalsContact CD2-CA 3.45Å; K85-F87 VanDerWaalsContact C-N 3.25Å; K85-F87 PolarHBondContact O-N 3.07Å; F87-I89 HydrophobicContact CD2-CD1 4.37Å; F87-I89 HydrophobicContact CD2-CG1 3.69Å; F87-I89 HydrophobicContact CE2-CD1 3.7Å; F87-I89 HydrophobicContact CE2-CG1 3.47Å; F87-I89 VanDerWaalsContact CE2-CG1 3.47Å; F87-G104 PolarHBondContact O-N 3.36Å; F87-R105 WeakPolarHBondContact CZ-O 3.44Å; F87-Q106 HydrophobicContact CE1-CB 3.99Å |
| 88 | C | 90.7 | Very high | 80.6 | Confident | 57 Ų | 57 | 75.1 Ų | 75.1 | 39% | 0.385 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 130.4 | 172.2 | -48.9 | 0 | 0 | 0 | 0 | 110.1 | C63 | C63-C88 VanDerWaalsContact CA-SG 3.55Å; C63-C88 HydrophobicContact CB-CB 3.86Å; C63-C88 WeakPolarHBondContact CB-SG 3.1Å; C63-C88 WeakPolarHBondContact SG-CA 3.45Å; C63-C88 WeakPolarHBondContact SG-CB 3.2Å; C63-C88 CovalentContact SG-SG 2.03Å; C63-C88 PolarHBondContact SG-SG 3.17Å |
| 89 | I | 88.1 | Confident | 78.9 | Confident | 47 Ų | 47 | 72.8 Ų | 72.8 | 24% | 0.241 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 145.8 | 171 | -60.6 | 175.6 | 0 | 0 | 0 | 108.3 | F87 L91 L101 V102 | F87-I89 HydrophobicContact CD2-CD1 4.37Å; F87-I89 HydrophobicContact CD2-CG1 3.69Å; F87-I89 HydrophobicContact CE2-CD1 3.7Å; F87-I89 HydrophobicContact CE2-CG1 3.47Å; F87-I89 VanDerWaalsContact CE2-CG1 3.47Å; I89-L91 HydrophobicContact CG2-CD2 4.19Å; I89-L101 CarbonylContact O-C 3.49Å; I89-L101 WeakPolarHBondContact O-CA 3.07Å; I89-V102 HydrophobicContact CB-CG2 4.18Å; I89-V102 PolarHBondContact N-O 3.39Å; I89-V102 PolarHBondContact O-N 3.13Å |
| 90 | T | 84.7 | Confident | 77.6 | Confident | 71 Ų | 71 | 68.8 Ų | 68.8 | 44% | 0.436 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 123.1 | 167.8 | -54.5 | 0 | 0 | 0 | 0 | 109 | V92 S99 L101 | T90-V92 HydrophobicContact CG2-CG2 4.04Å; T90-S99 WeakPolarHBondContact CG2-OG 3.39Å; T90-L101 HydrophobicContact CG2-CD1 4.38Å; T90-L101 HydrophobicContact CG2-CD2 4.47Å; T90-L101 HydrophobicContact CG2-CG 4.06Å; T90-L101 WeakPolarHBondContact OG1-CD2 3.12Å; T90-L101 WeakPolarHBondContact OG1-CG 3.45Å |
| 91 | L | 83.3 | Confident | 76.6 | Confident | 67 Ų | 67 | 67.2 Ų | 67.2 | 35% | 0.351 | 41% | 0.414 | S | S | . | . | trans | -87 | 143.8 | 169.4 | -57.6 | 176.9 | 0 | 0 | 0 | 108.6 | I89 S99 S100 P111 | I89-L91 HydrophobicContact CG2-CD2 4.19Å; L91-S99 WeakPolarHBondContact O-CA 3.16Å; L91-S99 VanDerWaalsContact O-CB 3.22Å; L91-S99 WeakPolarHBondContact O-CB 3.4Å; L91-S99 PolarHBondContact O-OG 3.18Å; L91-S100 PolarHBondContact N-O 2.83Å; L91-P111 HydrophobicContact CD2-CB 3.58Å | ||
| 92 | V | 81.1 | Confident | 76.1 | Confident | 115 Ų | 115 | 69 Ų | 69 | 70% | 0.697 | 43% | 0.425 | S | S | * | . | trans | -138.1 | 118.8 | 175.3 | -178.5 | 0 | 0 | 0 | 0 | 108 | T90 | T90-V92 HydrophobicContact CG2-CG2 4.04Š| ||
| 93 | S | 79.4 | Confident | 76 | Confident | 45 Ų | 45 | 67 Ų | 67 | 32% | 0.315 | 41% | 0.411 | S | S | . | . | trans | -106.7 | 138.6 | 175.2 | 70.9 | 0 | 0 | 0 | 0 | 111.4 | S95 T97 A98 | S93-S95 VanDerWaalsContact C-N 3.33Å; S93-T97 PolarHBondContact OG-O 3.32Å; S93-A98 PolarHBondContact N-O 3.15Å; S93-A98 VanDerWaalsContact N-O 3.13Å; S93-A98 PolarHBondContact OG-N 3.41Å; S93-A98 VanDerWaalsContact OG-N 3.14Å | ||
| 94 | H | 73.8 | Confident | 75.7 | Confident | 203 Ų | 203 | 61.1 Ų | 61.1 | 94% | 0.94 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -11.6 | -179.5 | -172.2 | -108 | 0 | 0 | 0 | 112.8 | G96 | H94-G96 VanDerWaalsContact C-N 3.29Å; H94-G96 PolarHBondContact O-N 3.32Å |
| 95 | S | 65 | Low | 75.3 | Confident | 112 Ų | 112 | 65.1 Ų | 65.1 | 78% | 0.783 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | 18.5 | -172.7 | 60 | 0 | 0 | 0 | 0 | 115.2 | S93 | S93-S95 VanDerWaalsContact C-N 3.33Š|
| 96 | G | 55 | Low | 73.4 | Confident | 46 Ų | 46 | 69.3 Ų | 69.3 | 47% | 0.474 | 40% | 0.397 | S | S | . | . | S | Bend | trans | 105.9 | -8.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | H94 | H94-G96 VanDerWaalsContact C-N 3.29Å; H94-G96 PolarHBondContact O-N 3.32Å |
| 97 | T | 60.7 | Low | 71.7 | Confident | 60 Ų | 60 | 66.7 Ų | 66.7 | 37% | 0.368 | 39% | 0.385 | S | S | . | . | trans | -166.6 | 115.2 | 176.2 | 37.3 | 0 | 0 | 0 | 0 | 110.5 | V68 H70 S93 | V68-T97 HydrophobicContact CG1-CG2 3.42Å; V68-T97 VanDerWaalsContact CG1-CG2 3.42Å; H70-T97 WeakPolarHBondContact CD2-CG2 3.36Å; H70-T97 WeakPolarHBondContact NE2-CG2 3.46Å; S93-T97 PolarHBondContact OG-O 3.32Å | ||
| 98 | A | 54 | Low | 69.8 | Low | 35 Ų | 35 | 70.5 Ų | 70.5 | 29% | 0.289 | 42% | 0.416 | S | S | . | . | trans | 156.9 | 96.1 | 142.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | S93 | S93-A98 PolarHBondContact N-O 3.15Å; S93-A98 VanDerWaalsContact N-O 3.13Å; S93-A98 PolarHBondContact OG-N 3.41Å; S93-A98 VanDerWaalsContact OG-N 3.14Å | ||
| 99 | S | 55.1 | Low | 67.9 | Low | 26 Ų | 26 | 74 Ų | 74 | 18% | 0.182 | 43% | 0.427 | C | S | . | . | trans | -112.4 | 105.9 | 149.4 | -158.6 | 0 | 0 | 0 | 0 | 109.8 | L69 T90 L91 | L69-S99 WeakPolarHBondContact CD1-O 3.34Å; T90-S99 WeakPolarHBondContact CG2-OG 3.39Å; L91-S99 WeakPolarHBondContact O-CA 3.16Å; L91-S99 VanDerWaalsContact O-CB 3.22Å; L91-S99 WeakPolarHBondContact O-CB 3.4Å; L91-S99 PolarHBondContact O-OG 3.18Å | ||
| 100 | S | 64 | Low | 65.8 | Low | 22 Ų | 22 | 77.6 Ų | 77.6 | 15% | 0.154 | 45% | 0.446 | C | S | . | . | trans | -108.2 | 124.7 | 172.5 | -168.2 | 0 | 0 | 0 | 0 | 107.7 | C66 Q67 L91 | C66-S100 WeakPolarHBondContact O-CA 3.47Å; C66-S100 WeakPolarHBondContact O-CB 3.39Å; C66-S100 PolarHBondContact O-OG 3.47Å; Q67-S100 WeakPolarHBondContact O-CB 3.42Å; L91-S100 PolarHBondContact N-O 2.83Å | ||
| 101 | L | 70 | Confident | 64.3 | Low | 31 Ų | 31 | 78.3 Ų | 78.3 | 16% | 0.162 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 126.2 | 168.8 | -72.6 | 107.7 | 0 | 0 | 0 | 108.7 | Y64 I89 T90 | Y64-L101 CarbonylContact O-C 3.38Å; Y64-L101 WeakPolarHBondContact O-CB 3.29Å; I89-L101 CarbonylContact O-C 3.49Å; I89-L101 WeakPolarHBondContact O-CA 3.07Å; T90-L101 HydrophobicContact CG2-CD1 4.38Å; T90-L101 HydrophobicContact CG2-CD2 4.47Å; T90-L101 HydrophobicContact CG2-CG 4.06Å; T90-L101 WeakPolarHBondContact OG1-CD2 3.12Å; T90-L101 WeakPolarHBondContact OG1-CG 3.45Å |
| 102 | V | 79.1 | Confident | 62.7 | Low | 47 Ų | 47 | 84 Ų | 84 | 29% | 0.285 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 154.5 | -177.5 | -63.9 | 0 | 0 | 0 | 0 | 110.8 | F65 I89 G104 | F65-V102 HydrophobicContact CE2-CG1 4.3Å; I89-V102 HydrophobicContact CB-CG2 4.18Å; I89-V102 PolarHBondContact N-O 3.39Å; I89-V102 PolarHBondContact O-N 3.13Å; V102-G104 PolarHBondContact O-N 3.22Å |
| 103 | C | 85.3 | Confident | 60.8 | Low | 20 Ų | 20 | 83.5 Ų | 83.5 | 14% | 0.135 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 128 | 172.8 | -54.6 | 0 | 0 | 0 | 0 | 110 | C81 K85 | C81-C103 WeakPolarHBondContact CA-SG 3.23Å; C81-C103 HydrophobicContact CB-CB 3.73Å; C81-C103 WeakPolarHBondContact CB-SG 3.32Å; C81-C103 WeakPolarHBondContact SG-CB 3.41Å; C81-C103 CovalentContact SG-SG 2.03Å; C81-C103 PolarHBondContact SG-SG 3.49Å; K85-C103 HydrophobicContact CB-CB 3.78Å; K85-C103 HydrophobicContact CD-CB 3.45Å; K85-C103 VanDerWaalsContact CD-CB 3.45Å; K85-C103 WeakPolarHBondContact CD-O 3.22Å; K85-C103 WeakPolarHBondContact CE-O 3.05Å; K85-C103 HydrophobicContact CG-CB 4.26Å; K85-C103 PolarHBondContact NZ-O 3.17Å |
| 104 | G | 79.1 | Confident | 59.3 | Low | 3 Ų | 3 | 86.4 Ų | 86.4 | 3% | 0.031 | 50% | 0.496 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 162.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | K85 F87 V102 | K85-G104 CarbonylContact C-O 3.51Å; K85-G104 WeakPolarHBondContact CA-O 3.38Å; K85-G104 WeakPolarHBondContact CB-O 3.38Å; F87-G104 PolarHBondContact O-N 3.36Å; V102-G104 PolarHBondContact O-N 3.22Å |
| 105 | R | 74.9 | Confident | 57.8 | Low | 140 Ų | 140 | 84.6 Ų | 84.6 | 53% | 0.528 | 49% | 0.493 | S | S | . | . | trans | -113.5 | 141 | 173.6 | -77 | -167.5 | 160.1 | -170.7 | -2.8 | 110.6 | K85 F87 G107 | K85-R105 HydrophobicContact CG-CG 4.01Å; F87-R105 WeakPolarHBondContact CZ-O 3.44Å; R105-G107 PolarHBondContact O-N 3.2Å | ||
| 106 | Q | 46.8 | Very low | 56.8 | Low | 166 Ų | 166 | 88 Ų | 88 | 78% | 0.776 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -67.7 | 108.5 | 177.2 | -162.8 | 76.2 | 63.8 | 0 | 0 | 107.3 | F87 | F87-Q106 HydrophobicContact CE1-CB 3.99Š|
| 107 | G | 50.7 | Low | 56.2 | Low | 30 Ų | 30 | 93.9 Ų | 93.9 | 31% | 0.309 | 52% | 0.518 | S | S | . | . | S | Bend | trans | -163.8 | 155.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | R105 E109 | R105-G107 PolarHBondContact O-N 3.2Å; G107-E109 PolarHBondContact O-N 3.17Å |
| 108 | P | 44 | Very low | 55.5 | Low | 137 Ų | 137 | 95.4 Ų | 95.4 | 89% | 0.89 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -69.3 | 25.6 | 172.7 | 31.2 | -35.1 | 0 | 0 | 0 | 112.4 | D110 | P108-D110 PolarHBondContact O-N 3.13Š|
| 109 | E | 52.1 | Low | 54.9 | Low | 131 Ų | 131 | 102.2 Ų | 102.2 | 61% | 0.612 | 57% | 0.567 | S | S | * | * | trans | -77.2 | 92.4 | -179.8 | 51 | -160.6 | 87.7 | 0 | 0 | 109.2 | G107 | G107-E109 PolarHBondContact O-N 3.17Š| ||
| 110 | D | 44.6 | Very low | 54.3 | Low | 122 Ų | 122 | 105.6 Ų | 105.6 | 65% | 0.652 | 60% | 0.596 | S | S | * | * | trans | -39.3 | 122.7 | 160.5 | -72.4 | -54.7 | 0 | 0 | 0 | 109.5 | P108 F112 S113 | P108-D110 PolarHBondContact O-N 3.13Å; D110-F112 PolarHBondContact O-N 3.26Å; D110-S113 PolarHBondContact O-N 3.28Å; D110-S113 VanDerWaalsContact O-N 3.17Å | ||
| 111 | P | 52.3 | Low | 53.1 | Low | 86 Ų | 86 | 110.1 Ų | 110.1 | 56% | 0.558 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.3 | 3.3 | -179.1 | 20.3 | -29.6 | 0 | 0 | 0 | 114.4 | L91 | L91-P111 HydrophobicContact CD2-CB 3.58Š|
| 112 | F | 49.6 | Very low | 52.2 | Low | 187 Ų | 187 | 114.5 Ų | 114.5 | 82% | 0.82 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | -6 | 178.8 | -72 | -81 | 0 | 0 | 0 | 114.6 | D110 S114 | D110-F112 PolarHBondContact O-N 3.26Å; F112-S114 PolarHBondContact O-N 3.4Å |
| 113 | S | 42.3 | Very low | 50.7 | Low | 104 Ų | 104 | 121.7 Ų | 121.7 | 73% | 0.727 | 71% | 0.711 | S | S | * | * | trans | -97.1 | 60.8 | -177.7 | -155 | 0 | 0 | 0 | 0 | 113.3 | D110 | D110-S113 PolarHBondContact O-N 3.28Å; D110-S113 VanDerWaalsContact O-N 3.17Å | ||
| 114 | S | 46.5 | Very low | 49 | Very low | 107 Ų | 107 | 126.8 Ų | 126.8 | 75% | 0.748 | 74% | 0.739 | S | S | * | * | trans | -147.7 | 87.3 | 161.3 | -88.7 | 0 | 0 | 0 | 0 | 108.9 | F112 | F112-S114 PolarHBondContact O-N 3.4Š| ||
| 115 | N | 43.5 | Very low | 47.4 | Very low | 164 Ų | 164 | 133.3 Ų | 133.3 | 88% | 0.877 | 78% | 0.777 | S | S | * | * | trans | 175.1 | 75.6 | 142 | -88.5 | -39.9 | 0 | 0 | 0 | 109.9 | ||||
| 116 | Q | 42.3 | Very low | 45.9 | Very low | 185 Ų | 185 | 132.9 Ų | 132.9 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | trans | -142.7 | 40 | 160.9 | -68.3 | -171.4 | 101 | 0 | 0 | 112.3 | ||||
| 117 | D | 42.6 | Very low | 45.8 | Very low | 169 Ų | 169 | 131 Ų | 131 | 90% | 0.904 | 79% | 0.791 | S | S | * | * | trans | -148.8 | 84.4 | 169.4 | -77.6 | -63.8 | 0 | 0 | 0 | 111 | ||||
| 118 | A | 46.2 | Very low | 45.5 | Very low | 91 Ų | 91 | 137.3 Ų | 137.3 | 75% | 0.752 | 82% | 0.822 | S | S | * | * | trans | -177.6 | 79.4 | 147.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 119 | L | 42.8 | Very low | 45.6 | Very low | 179 Ų | 179 | 137.3 Ų | 137.3 | 94% | 0.937 | 82% | 0.817 | S | S | * | * | trans | -149.7 | 72.1 | 145.5 | -98.4 | 131.8 | 0 | 0 | 0 | 107.8 | ||||
| 120 | A | 40.8 | Very low | 45.1 | Very low | 97 Ų | 97 | 137.8 Ų | 137.8 | 80% | 0.802 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 127.9 | 156.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||
| 121 | S | 38.8 | Very low | 45.2 | Very low | 116 Ų | 116 | 139 Ų | 139 | 81% | 0.811 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 152.7 | 173.1 | -49.1 | 0 | 0 | 0 | 0 | 112.5 | ||
| 122 | P | 52.9 | Low | 44.6 | Very low | 124 Ų | 124 | 143.4 Ų | 143.4 | 81% | 0.805 | 87% | 0.869 | S | S | * | * | P | Polyproline II helix | trans | -102.5 | 147.1 | 143.3 | 24.8 | -9.8 | 0 | 0 | 0 | 110.8 | ||
| 123 | S | 47.1 | Very low | 44.1 | Very low | 198 Ų | 198 | 139.5 Ų | 139.5 | 100% | 1.385 | 87% | 0.874 | S | S | * | * | trans | -63.4 | 0 | -179.9 | -55.5 | 0 | 0 | 0 | 0 | 115 |
Retrieved 123 of 123 residues in 89.2 ms
(Link to these results)