| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36.7 | Very low | 35.4 | Very low | 233 Ų | 233 | 150.5 Ų | 150.5 | 100% | 1.148 | 80% | 0.796 | S | S | * | * | 0 | 74.5 | 0 | -68.7 | 154.6 | 72.9 | 0 | 0 | 106.8 | |||||
| 2 | S | 33.2 | Very low | 36 | Very low | 121 Ų | 121 | 153.9 Ų | 153.9 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | 71.3 | 86.2 | 91.9 | -47.4 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 3 | S | 33.3 | Very low | 36.9 | Very low | 113 Ų | 113 | 151.5 Ų | 151.5 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | -168.8 | 100.1 | 128.2 | -137.4 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 4 | W | 26.3 | Very low | 38 | Very low | 236 Ų | 236 | 150.4 Ų | 150.4 | 89% | 0.894 | 80% | 0.803 | S | S | * | * | trans | -92.4 | 115 | 160.8 | -86.3 | 37.6 | 0 | 0 | 0 | 106.9 | L6 | W4-L6 VanDerWaalsContact C-N 3.33Å; W4-L6 PolarHBondContact O-N 3.21Å | ||
| 5 | S | 34 | Very low | 39.2 | Very low | 116 Ų | 116 | 147.8 Ų | 147.8 | 81% | 0.811 | 80% | 0.795 | S | S | * | * | trans | -85.3 | 88.5 | 161 | -75 | 0 | 0 | 0 | 0 | 108.7 | I7 | S5-I7 PolarHBondContact O-N 3.35Š| ||
| 6 | L | 36.5 | Very low | 39.9 | Very low | 108 Ų | 108 | 146.8 Ų | 146.8 | 57% | 0.565 | 78% | 0.784 | S | S | * | * | trans | -67.7 | 105.2 | 166.4 | -168.6 | 83.4 | 0 | 0 | 0 | 108.8 | W4 R8 | W4-L6 VanDerWaalsContact C-N 3.33Å; W4-L6 PolarHBondContact O-N 3.21Å; L6-R8 HydrophobicContact CD2-CB 4.38Å; L6-R8 HydrophobicContact CG-CB 4.42Å | ||
| 7 | I | 36.5 | Very low | 40.7 | Very low | 173 Ų | 173 | 147.4 Ų | 147.4 | 89% | 0.887 | 79% | 0.786 | S | S | * | * | trans | -90.1 | 103.1 | 160.4 | -63.5 | 172.6 | 0 | 0 | 0 | 107.3 | S5 | S5-I7 PolarHBondContact O-N 3.35Š| ||
| 8 | R | 35.9 | Very low | 41.5 | Very low | 188 Ų | 188 | 150.8 Ų | 150.8 | 71% | 0.709 | 79% | 0.786 | S | S | * | * | trans | -109.9 | 137.8 | 167.5 | -156.9 | -164.5 | -79.2 | 170.5 | -2 | 104.1 | L6 | L6-R8 HydrophobicContact CD2-CB 4.38Å; L6-R8 HydrophobicContact CG-CB 4.42Å | ||
| 9 | H | 41.1 | Very low | 42.6 | Very low | 144 Ų | 144 | 148.3 Ų | 148.3 | 67% | 0.667 | 77% | 0.772 | S | S | * | * | cis | -165.6 | 149.7 | 16 | -140.2 | -136.4 | 0 | 0 | 0 | 108.3 | ||||
| 10 | N | 32.6 | Very low | 43.5 | Very low | 175 Ų | 175 | 147.5 Ų | 147.5 | 94% | 0.936 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -146.4 | 78 | 134.4 | -105.1 | -25.6 | 0 | 0 | 0 | 108.6 | ||
| 11 | G | 44 | Very low | 44.5 | Very low | 49 Ų | 49 | 142.6 Ų | 142.6 | 51% | 0.505 | 75% | 0.749 | S | S | . | * | S | Bend | trans | 71.4 | 95.9 | 151.8 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||
| 12 | K | 42.2 | Very low | 45.8 | Very low | 191 Ų | 191 | 137.7 Ų | 137.7 | 83% | 0.83 | 73% | 0.726 | S | S | * | * | trans | 76 | 91.6 | 151.3 | -51.9 | 173.9 | -177.1 | 174.5 | 0 | 117.8 | ||||
| 13 | C | 47.4 | Very low | 47.4 | Very low | 123 Ų | 123 | 135.6 Ų | 135.6 | 83% | 0.831 | 71% | 0.708 | S | S | * | * | trans | -135.5 | 81.3 | 157.1 | -72.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 14 | V | 53 | Low | 49 | Very low | 136 Ų | 136 | 136 Ų | 136 | 82% | 0.824 | 70% | 0.699 | S | S | * | * | trans | -119.9 | 6.4 | 178.9 | -177.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 15 | T | 55.8 | Low | 50.6 | Low | 111 Ų | 111 | 128 Ų | 128 | 68% | 0.681 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -112.3 | -20.1 | -179.9 | 41.9 | 0 | 0 | 0 | 0 | 115 | ||
| 16 | H | 49.3 | Very low | 51.7 | Low | 132 Ų | 132 | 125.7 Ų | 125.7 | 61% | 0.611 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -80.6 | -27 | -171 | -138.1 | -94.8 | 0 | 0 | 0 | 114.3 | R18 F20 | H16-R18 PolarHBondContact O-N 3.32Å; H16-F20 PolarHBondContact O-N 3.5Å |
| 17 | L | 54.2 | Low | 52.7 | Low | 157 Ų | 157 | 126.4 Ų | 126.4 | 82% | 0.822 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -78.2 | -20.4 | -175.9 | -152.4 | 67.7 | 0 | 0 | 0 | 113.3 | G21 | L17-G21 PolarHBondContact O-N 3.29Å |
| 18 | R | 55 | Low | 53.4 | Low | 208 Ų | 208 | 122.2 Ų | 122.2 | 79% | 0.785 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -81.7 | -31.2 | 175 | -76.6 | -169.9 | 164.5 | 163.2 | -2 | 113.2 | H16 L22 | H16-R18 PolarHBondContact O-N 3.32Å; R18-L22 PolarHBondContact O-N 3.43Å |
| 19 | I | 63.2 | Low | 54 | Low | 103 Ų | 103 | 116.2 Ų | 116.2 | 53% | 0.528 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -71 | -42.3 | 175.2 | -61.7 | 172.9 | 0 | 0 | 0 | 109.9 | G21 L22 V23 | I19-G21 VanDerWaalsContact C-N 3.28Å; I19-G21 PolarHBondContact O-N 3.23Å; I19-L22 PolarHBondContact O-N 3.09Å; I19-V23 HydrophobicContact CG2-CG2 4.42Å; I19-V23 WeakPolarHBondContact O-CG2 3.39Å; I19-V23 PolarHBondContact O-N 3.35Å; I19-V23 VanDerWaalsContact O-N 3.09Å |
| 20 | F | 60.2 | Low | 54.3 | Low | 133 Ų | 133 | 115.4 Ų | 115.4 | 58% | 0.583 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -61.4 | -36.7 | 176.7 | -126.4 | -94.1 | 0 | 0 | 0 | 112.6 | H16 M24 | H16-F20 PolarHBondContact O-N 3.5Å; F20-M24 WeakPolarHBondContact O-CG 3.37Å; F20-M24 PolarHBondContact O-N 3.3Å |
| 21 | G | 63.3 | Low | 54.9 | Low | 45 Ų | 45 | 112.6 Ų | 112.6 | 46% | 0.464 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -67.1 | -38.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | L17 I19 A25 | L17-G21 PolarHBondContact O-N 3.29Å; I19-G21 VanDerWaalsContact C-N 3.28Å; I19-G21 PolarHBondContact O-N 3.23Å; G21-A25 PolarHBondContact O-N 3.34Å |
| 22 | L | 65.8 | Low | 54.6 | Low | 130 Ų | 130 | 114.9 Ų | 114.9 | 68% | 0.681 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -73.2 | -35.8 | 178.8 | -78.2 | 165.4 | 0 | 0 | 0 | 112.8 | R18 I19 A25 A26 | R18-L22 PolarHBondContact O-N 3.43Å; I19-L22 PolarHBondContact O-N 3.09Å; L22-A25 PolarHBondContact O-N 3.37Å; L22-A26 PolarHBondContact O-N 3.37Å |
| 23 | V | 66.4 | Low | 54.5 | Low | 76 Ų | 76 | 115.1 Ų | 115.1 | 46% | 0.461 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -68.7 | -40 | 178.3 | 174 | 0 | 0 | 0 | 0 | 111.4 | I19 A25 A26 I27 | I19-V23 HydrophobicContact CG2-CG2 4.42Å; I19-V23 WeakPolarHBondContact O-CG2 3.39Å; I19-V23 PolarHBondContact O-N 3.35Å; I19-V23 VanDerWaalsContact O-N 3.09Å; V23-A25 VanDerWaalsContact C-N 3.34Å; V23-A25 PolarHBondContact O-N 3.48Å; V23-A26 PolarHBondContact O-N 3.29Å; V23-I27 HydrophobicContact CG1-CD1 4.12Å; V23-I27 WeakPolarHBondContact O-CG1 3.43Å; V23-I27 PolarHBondContact O-N 3.47Å |
| 24 | M | 67.1 | Low | 54.1 | Low | 122 Ų | 122 | 118.5 Ų | 118.5 | 60% | 0.601 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -70.4 | -30 | 178.1 | -64.8 | -62 | -102.7 | 0 | 0 | 112.7 | F20 A28 | F20-M24 WeakPolarHBondContact O-CG 3.37Å; F20-M24 PolarHBondContact O-N 3.3Å; M24-A28 PolarHBondContact O-N 3.4Å |
| 25 | A | 59.8 | Low | 53.2 | Low | 67 Ų | 67 | 117.1 Ų | 117.1 | 55% | 0.554 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -70.4 | -31.9 | 175 | 0 | 0 | 0 | 0 | 0 | 113.2 | G21 L22 V23 | G21-A25 PolarHBondContact O-N 3.34Å; L22-A25 PolarHBondContact O-N 3.37Å; V23-A25 VanDerWaalsContact C-N 3.34Å; V23-A25 PolarHBondContact O-N 3.48Å |
| 26 | A | 55.6 | Low | 52.1 | Low | 69 Ų | 69 | 115.6 Ų | 115.6 | 57% | 0.57 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -73.8 | -29.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L22 V23 | L22-A26 PolarHBondContact O-N 3.37Å; V23-A26 PolarHBondContact O-N 3.29Å |
| 27 | I | 57.8 | Low | 51.8 | Low | 123 Ų | 123 | 118.8 Ų | 118.8 | 63% | 0.631 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -77.3 | -29.5 | 179.1 | -64.3 | 168.2 | 0 | 0 | 0 | 111.5 | V23 G29 | V23-I27 HydrophobicContact CG1-CD1 4.12Å; V23-I27 WeakPolarHBondContact O-CG1 3.43Å; V23-I27 PolarHBondContact O-N 3.47Å; I27-G29 VanDerWaalsContact C-N 3.34Å |
| 28 | A | 52.1 | Low | 50.8 | Low | 84 Ų | 84 | 119.9 Ų | 119.9 | 69% | 0.694 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | -11.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | M24 | M24-A28 PolarHBondContact O-N 3.4Š|
| 29 | G | 48.6 | Very low | 50.3 | Low | 62 Ų | 62 | 117.9 Ų | 117.9 | 64% | 0.639 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -2.8 | -172.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | I27 | I27-G29 VanDerWaalsContact C-N 3.34Š|
| 30 | V | 47.9 | Very low | 48.7 | Very low | 128 Ų | 128 | 118.1 Ų | 118.1 | 78% | 0.776 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -123.9 | 57.2 | -176.3 | -166.1 | 0 | 0 | 0 | 0 | 110.6 | ||
| 31 | S | 43.6 | Very low | 47.5 | Very low | 116 Ų | 116 | 118.2 Ų | 118.2 | 81% | 0.811 | 73% | 0.733 | S | S | * | * | trans | -149.9 | 76.6 | 167 | -79.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 32 | A | 37.2 | Very low | 46 | Very low | 96 Ų | 96 | 122.5 Ų | 122.5 | 79% | 0.793 | 75% | 0.75 | S | S | * | * | trans | -163.9 | 90.1 | 163.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 33 | M | 41.9 | Very low | 44.7 | Very low | 197 Ų | 197 | 124.3 Ų | 124.3 | 97% | 0.97 | 75% | 0.754 | S | S | * | * | trans | -167.9 | 100.4 | 144.9 | -107 | 164.7 | 162.8 | 0 | 0 | 109.1 | ||||
| 34 | E | 38.7 | Very low | 43.1 | Very low | 193 Ų | 193 | 130 Ų | 130 | 90% | 0.902 | 78% | 0.778 | S | S | * | * | trans | -76.3 | 164.5 | 170.1 | -77.7 | 170.7 | 118.7 | 0 | 0 | 112.3 | ||||
| 35 | A | 34 | Very low | 41.6 | Very low | 108 Ų | 108 | 128.3 Ų | 128.3 | 89% | 0.893 | 78% | 0.784 | S | S | * | * | trans | 91.2 | 132.8 | 146.9 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 36 | G | 31.4 | Very low | 40.3 | Very low | 79 Ų | 79 | 130.4 Ų | 130.4 | 81% | 0.814 | 80% | 0.795 | S | S | * | * | trans | 135.4 | 102.1 | 155 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 37 | E | 44.8 | Very low | 39.3 | Very low | 199 Ų | 199 | 133.9 Ų | 133.9 | 93% | 0.93 | 81% | 0.809 | S | S | * | * | trans | -59.7 | 141.9 | 160.2 | -62.5 | 176.7 | 127.5 | 0 | 0 | 110.9 | ||||
| 38 | E | 32.2 | Very low | 38.7 | Very low | 179 Ų | 179 | 136.6 Ų | 136.6 | 84% | 0.836 | 82% | 0.818 | S | S | * | * | -163.2 | 144.2 | 129 | -145.6 | 169 | 125.2 | 0 | 0 | 112.3 | |||||
| 39 | L | 43.8 | Very low | 38 | Very low | 167 Ų | 167 | 141.5 Ų | 141.5 | 87% | 0.874 | 83% | 0.827 | S | S | * | * | trans | -70.1 | 114.2 | 172.1 | -170.1 | 83.8 | 0 | 0 | 0 | 109.5 | ||||
| 40 | T | 30.1 | Very low | 37.5 | Very low | 108 Ų | 108 | 143.7 Ų | 143.7 | 66% | 0.663 | 83% | 0.83 | S | S | * | * | trans | -133.1 | 118.8 | 165.6 | 57.9 | 0 | 0 | 0 | 0 | 111.6 | V42 | T40-V42 PolarHBondContact O-N 3.11Š| ||
| 41 | T | 34.8 | Very low | 37.1 | Very low | 135 Ų | 135 | 145.3 Ų | 145.3 | 83% | 0.828 | 83% | 0.833 | S | S | * | * | trans | -29.9 | 123.8 | 156.3 | 48.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 42 | V | 32 | Very low | 36.7 | Very low | 135 Ų | 135 | 145.4 Ų | 145.4 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | trans | -108.2 | 103 | 162 | -178.3 | 0 | 0 | 0 | 0 | 107.3 | T40 | T40-V42 PolarHBondContact O-N 3.11Š| ||
| 43 | E | 38.1 | Very low | 36.8 | Very low | 167 Ų | 167 | 147.7 Ų | 147.7 | 78% | 0.78 | 83% | 0.834 | S | S | * | * | trans | -48.4 | 133 | 160.6 | -76.8 | 176 | 104.1 | 0 | 0 | 110.2 | A45 | E43-A45 VanDerWaalsContact C-N 3.29Å; E43-A45 PolarHBondContact O-N 3.31Å | ||
| 44 | M | 33.8 | Very low | 36.7 | Very low | 195 Ų | 195 | 147.1 Ų | 147.1 | 96% | 0.961 | 83% | 0.829 | S | S | * | * | trans | -74 | 88.5 | 160.2 | -69.4 | -175.7 | 61.9 | 0 | 0 | 108.2 | ||||
| 45 | A | 34.8 | Very low | 36.7 | Very low | 88 Ų | 88 | 146.4 Ų | 146.4 | 73% | 0.727 | 83% | 0.826 | S | S | * | * | trans | -96.4 | 120.7 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | E43 | E43-A45 VanDerWaalsContact C-N 3.29Å; E43-A45 PolarHBondContact O-N 3.31Å | ||
| 46 | S | 33 | Very low | 37.2 | Very low | 111 Ų | 111 | 147.4 Ų | 147.4 | 78% | 0.776 | 82% | 0.823 | S | S | * | * | trans | -54.3 | 148 | 167.1 | -45.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 47 | V | 34.3 | Very low | 37.4 | Very low | 142 Ų | 142 | 150.1 Ų | 150.1 | 86% | 0.861 | 82% | 0.823 | S | S | * | * | 170.1 | 132 | 121.9 | 161.9 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 48 | E | 46.2 | Very low | 37.3 | Very low | 179 Ų | 179 | 145.3 Ų | 145.3 | 84% | 0.836 | 82% | 0.818 | S | S | * | * | trans | -57.2 | 147.7 | 171.2 | -69.7 | 163.5 | 129.1 | 0 | 0 | 111.9 | ||||
| 49 | E | 37 | Very low | 37.3 | Very low | 187 Ų | 187 | 143.3 Ų | 143.3 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | -150.1 | 154.5 | 126.3 | -96 | -141.4 | 157 | 0 | 0 | 111.2 | |||||
| 50 | P | 38.9 | Very low | 36.7 | Very low | 108 Ų | 108 | 140 Ų | 140 | 70% | 0.701 | 81% | 0.809 | S | S | * | * | trans | -97.7 | 156 | -147.1 | 37.1 | -32.4 | 0 | 0 | 0 | 112.8 | ||||
| 51 | I | 38.6 | Very low | 37.6 | Very low | 163 Ų | 163 | 143 Ų | 143 | 84% | 0.836 | 82% | 0.815 | S | S | * | * | trans | -108.4 | 139.7 | 169.5 | -61.4 | -179.4 | 0 | 0 | 0 | 109.4 | ||||
| 52 | P | 35.7 | Very low | 37.8 | Very low | 117 Ų | 117 | 145.2 Ų | 145.2 | 76% | 0.76 | 82% | 0.816 | S | S | * | * | trans | -72.5 | 151.8 | -152.6 | -19.9 | 34.9 | 0 | 0 | 0 | 115.7 | ||||
| 53 | V | 38.2 | Very low | 38 | Very low | 144 Ų | 144 | 142.9 Ų | 142.9 | 87% | 0.873 | 81% | 0.811 | S | S | * | * | trans | -82.5 | 109.5 | 172.8 | -166.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 54 | E | 40.6 | Very low | 37.9 | Very low | 186 Ų | 186 | 138.2 Ų | 138.2 | 87% | 0.869 | 80% | 0.797 | S | S | * | * | trans | -82.9 | 133.8 | 160.4 | -78.9 | -172.1 | 167.2 | 0 | 0 | 109.6 | ||||
| 55 | E | 39.5 | Very low | 38 | Very low | 177 Ų | 177 | 135 Ų | 135 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | trans | -62 | 149.5 | -176.9 | -71.2 | -179 | 144 | 0 | 0 | 113.2 | V57 | E55-V57 PolarHBondContact O-N 3.45Š| ||
| 56 | P | 43.4 | Very low | 38.2 | Very low | 130 Ų | 130 | 134.8 Ų | 134.8 | 84% | 0.844 | 78% | 0.782 | S | S | * | * | trans | -72.9 | 113.7 | -178.7 | 29 | -33 | 0 | 0 | 0 | 111.6 | ||||
| 57 | V | 36.4 | Very low | 38.3 | Very low | 135 Ų | 135 | 139.3 Ų | 139.3 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -68.1 | 129.3 | 164.6 | -176.6 | 0 | 0 | 0 | 0 | 109.1 | E55 V59 | E55-V57 PolarHBondContact O-N 3.45Å; V57-V59 PolarHBondContact O-N 3.42Å | ||
| 58 | A | 41.1 | Very low | 38.8 | Very low | 99 Ų | 99 | 139.7 Ų | 139.7 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | -53 | 125.3 | -176 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 59 | V | 32.6 | Very low | 38.6 | Very low | 137 Ų | 137 | 140.1 Ų | 140.1 | 83% | 0.83 | 78% | 0.775 | S | S | * | * | trans | -117.4 | 126.3 | 162.6 | 179.8 | 0 | 0 | 0 | 0 | 108.1 | V57 | V57-V59 PolarHBondContact O-N 3.42Š| ||
| 60 | S | 32.7 | Very low | 39.4 | Very low | 98 Ų | 98 | 138.4 Ų | 138.4 | 69% | 0.685 | 77% | 0.77 | S | S | * | * | trans | -51.5 | 137.2 | -165.6 | 52.3 | 0 | 0 | 0 | 0 | 117.1 | Q62 | S60-Q62 VanDerWaalsContact C-N 3.29Å; S60-Q62 PolarHBondContact O-N 3.39Å | ||
| 61 | E | 49 | Very low | 40 | Very low | 169 Ų | 169 | 144.1 Ų | 144.1 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.2 | 10.2 | -174.6 | -85.9 | 170.5 | 125.6 | 0 | 0 | 119.1 | ||
| 62 | Q | 38.3 | Very low | 39.9 | Very low | 183 Ų | 183 | 147.4 Ų | 147.4 | 86% | 0.855 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.8 | 5.8 | -164.4 | -71.7 | 172.4 | -14.8 | 0 | 0 | 116.5 | S60 | S60-Q62 VanDerWaalsContact C-N 3.29Å; S60-Q62 PolarHBondContact O-N 3.39Å |
| 63 | A | 36.5 | Very low | 40.4 | Very low | 85 Ų | 85 | 145.8 Ų | 145.8 | 70% | 0.702 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -110.9 | -6.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 64 | S | 35.6 | Very low | 40.6 | Very low | 69 Ų | 69 | 148.7 Ų | 148.7 | 48% | 0.483 | 77% | 0.77 | S | S | . | * | S | Bend | trans | -81.4 | -21.6 | -178.2 | 44.3 | 0 | 0 | 0 | 0 | 114.1 | E68 | S64-E68 PolarHBondContact O-N 3.39Š|
| 65 | D | 35.1 | Very low | 40.6 | Very low | 127 Ų | 127 | 142.9 Ų | 142.9 | 68% | 0.679 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -17.5 | -169.7 | -70.5 | -15.9 | 0 | 0 | 0 | 114.3 | ||
| 66 | A | 38.7 | Very low | 41.3 | Very low | 84 Ų | 84 | 137 Ų | 137 | 69% | 0.694 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | -19 | 177 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 67 | Y | 35.4 | Very low | 42.1 | Very low | 206 Ų | 206 | 135.7 Ų | 135.7 | 81% | 0.808 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.5 | -21.3 | -176.9 | -162.3 | -101.3 | 0 | 0 | 0 | 113.7 | ||
| 68 | E | 46.1 | Very low | 43.5 | Very low | 151 Ų | 151 | 132.5 Ų | 132.5 | 71% | 0.706 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -82.8 | -15.6 | -179.8 | -159.6 | 62.6 | -150.2 | 0 | 0 | 113.2 | S64 I70 | S64-E68 PolarHBondContact O-N 3.39Å; E68-I70 PolarHBondContact O-N 3.14Å |
| 69 | K | 42.1 | Very low | 44.9 | Very low | 188 Ų | 188 | 134.6 Ų | 134.6 | 82% | 0.817 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -88.6 | 3.9 | -172.4 | -149.9 | 163.9 | -170.4 | 172.8 | 0 | 115.8 | ||
| 70 | I | 52.1 | Low | 46.9 | Very low | 150 Ų | 150 | 135.8 Ų | 135.8 | 77% | 0.769 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -110.1 | 9 | -177.3 | -59.1 | -179.1 | 0 | 0 | 0 | 114.5 | E68 | E68-I70 PolarHBondContact O-N 3.14Š|
| 71 | R | 51.8 | Low | 48.9 | Very low | 228 Ų | 228 | 140.4 Ų | 140.4 | 86% | 0.86 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -151 | 44.2 | 178.2 | -130.9 | -179.9 | -172.5 | -169.7 | 5 | 121.4 | ||
| 72 | R | 37.5 | Very low | 50.4 | Low | 232 Ų | 232 | 139.1 Ų | 139.1 | 88% | 0.875 | 69% | 0.69 | S | S | * | * | trans | -139.6 | 101.5 | 161 | -76.7 | -170.1 | 170.9 | -161.7 | 1.4 | 114.7 | ||||
| 73 | P | 45.4 | Very low | 52.5 | Low | 84 Ų | 84 | 137 Ų | 137 | 55% | 0.545 | 68% | 0.678 | S | S | . | * | trans | -83.2 | 130.2 | 153.6 | 27.8 | -20.9 | 0 | 0 | 0 | 109.8 | S75 A76 | P73-S75 PolarHBondContact O-N 3.15Å; P73-A76 VanDerWaalsContact O-CB 3.28Å; P73-A76 WeakPolarHBondContact O-CB 3.27Å; P73-A76 PolarHBondContact O-N 2.75Å | ||
| 74 | K | 42.5 | Very low | 54.6 | Low | 204 Ų | 204 | 139 Ų | 139 | 89% | 0.887 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.3 | -6.2 | 178.6 | -68.7 | 178.5 | 177 | 175.7 | 0 | 114.5 | A76 T77 | K74-A76 VanDerWaalsContact C-N 3.28Å; K74-T77 PolarHBondContact O-OG1 3.35Å |
| 75 | S | 41.2 | Very low | 56.9 | Low | 64 Ų | 64 | 140 Ų | 140 | 45% | 0.448 | 67% | 0.673 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.1 | -7.4 | 171.1 | 61 | 0 | 0 | 0 | 0 | 114.1 | P73 K79 | P73-S75 PolarHBondContact O-N 3.15Å; S75-K79 WeakPolarHBondContact O-CG 3.28Å |
| 76 | A | 53.7 | Low | 59.3 | Low | 53 Ų | 53 | 138.3 Ų | 138.3 | 44% | 0.438 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -70.6 | -27.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | P73 K74 K80 | P73-A76 VanDerWaalsContact O-CB 3.28Å; P73-A76 WeakPolarHBondContact O-CB 3.27Å; P73-A76 PolarHBondContact O-N 2.75Å; K74-A76 VanDerWaalsContact C-N 3.28Å; A76-K80 WeakPolarHBondContact O-CB 3.46Å; A76-K80 PolarHBondContact O-N 3.29Å |
| 77 | T | 60.1 | Low | 61.3 | Low | 103 Ų | 103 | 143 Ų | 143 | 63% | 0.632 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -74.9 | -41.7 | -176.1 | 26.7 | 0 | 0 | 0 | 0 | 113.1 | K74 R81 | K74-T77 PolarHBondContact O-OG1 3.35Å; T77-R81 WeakPolarHBondContact O-CG 3.41Å; T77-R81 PolarHBondContact O-N 3.47Å |
| 78 | A | 66.5 | Low | 63.6 | Low | 69 Ų | 69 | 141.3 Ų | 141.3 | 57% | 0.57 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -68.4 | -45.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | K80 R81 Q82 | A78-K80 VanDerWaalsContact C-N 3.3Å; A78-K80 PolarHBondContact O-N 2.79Å; A78-R81 PolarHBondContact O-N 3.48Å; A78-Q82 PolarHBondContact O-N 2.93Å |
| 79 | K | 70.1 | Confident | 65.4 | Low | 142 Ų | 142 | 142 Ų | 142 | 62% | 0.617 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -61 | -36.4 | 175.8 | -72 | -176.8 | 177.6 | -177 | 0 | 112.5 | S75 K83 | S75-K79 WeakPolarHBondContact O-CG 3.28Å; K79-K83 VanDerWaalsContact O-CB 3.28Å; K79-K83 WeakPolarHBondContact O-CB 3.49Å; K79-K83 PolarHBondContact O-N 2.98Å |
| 80 | K | 74.6 | Confident | 67.2 | Low | 162 Ų | 162 | 140.6 Ų | 140.6 | 70% | 0.704 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -68.3 | -40 | 177 | -171.3 | 176.3 | -176.9 | -177.4 | 0 | 112.4 | A76 A78 Q84 | A76-K80 WeakPolarHBondContact O-CB 3.46Å; A76-K80 PolarHBondContact O-N 3.29Å; A78-K80 VanDerWaalsContact C-N 3.3Å; A78-K80 PolarHBondContact O-N 2.79Å; K80-Q84 WeakPolarHBondContact O-CB 3.45Å; K80-Q84 PolarHBondContact O-N 3.24Å; K80-Q84 VanDerWaalsContact O-N 3.1Å |
| 81 | R | 75.6 | Confident | 68.4 | Low | 196 Ų | 196 | 138.8 Ų | 138.8 | 74% | 0.74 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -67.5 | -43 | 176.1 | -71 | 179.4 | 83.8 | -176.1 | 5.8 | 112 | T77 A78 Q84 L85 | T77-R81 WeakPolarHBondContact O-CG 3.41Å; T77-R81 PolarHBondContact O-N 3.47Å; A78-R81 PolarHBondContact O-N 3.48Å; R81-Q84 PolarHBondContact O-N 3.28Å; R81-L85 PolarHBondContact O-N 3.36Å |
| 82 | Q | 79.3 | Confident | 69.8 | Low | 142 Ų | 142 | 134.2 Ų | 134.2 | 66% | 0.664 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -63.4 | -43.9 | 177.7 | -164.4 | 169.5 | 6.9 | 0 | 0 | 111.6 | A78 Q84 L85 E86 | A78-Q82 PolarHBondContact O-N 2.93Å; Q82-Q84 VanDerWaalsContact C-N 3.28Å; Q82-Q84 PolarHBondContact O-N 3.45Å; Q82-L85 PolarHBondContact O-N 3.04Å; Q82-E86 WeakPolarHBondContact O-CB 3.49Å; Q82-E86 PolarHBondContact O-N 3.39Å |
| 83 | K | 81.8 | Confident | 72.1 | Confident | 139 Ų | 139 | 127.6 Ų | 127.6 | 60% | 0.604 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -62.1 | -32.4 | 174.4 | -171.7 | 170.8 | -174.6 | 171.1 | 0 | 113.2 | K79 R87 | K79-K83 VanDerWaalsContact O-CB 3.28Å; K79-K83 WeakPolarHBondContact O-CB 3.49Å; K79-K83 PolarHBondContact O-N 2.98Å; K83-R87 WeakPolarHBondContact O-CB 2.92Å; K83-R87 WeakPolarHBondContact O-CG 3.27Å; K83-R87 PolarHBondContact O-N 2.78Å; K83-R87 VanDerWaalsContact O-N 3.15Å |
| 84 | Q | 80.9 | Confident | 74 | Confident | 126 Ų | 126 | 125.9 Ų | 125.9 | 59% | 0.589 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -74 | -40.3 | 177.4 | -167.1 | -179.8 | 25.8 | 0 | 0 | 112.1 | K80 R81 Q82 R87 R88 | K80-Q84 WeakPolarHBondContact O-CB 3.45Å; K80-Q84 PolarHBondContact O-N 3.24Å; K80-Q84 VanDerWaalsContact O-N 3.1Å; R81-Q84 PolarHBondContact O-N 3.28Å; Q82-Q84 VanDerWaalsContact C-N 3.28Å; Q82-Q84 PolarHBondContact O-N 3.45Å; Q84-R87 PolarHBondContact O-N 3.17Å; Q84-R88 PolarHBondContact O-N 3.02Å; Q84-R88 VanDerWaalsContact O-N 3.11Å |
| 85 | L | 84.3 | Confident | 76.2 | Confident | 91 Ų | 91 | 120 Ų | 120 | 48% | 0.476 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65.7 | -41.6 | 175.6 | -175.7 | 64.4 | 0 | 0 | 0 | 111.5 | R81 Q82 R88 R89 | R81-L85 PolarHBondContact O-N 3.36Å; Q82-L85 PolarHBondContact O-N 3.04Å; L85-R88 WeakPolarHBondContact O-CB 3.39Å; L85-R88 PolarHBondContact O-N 3.24Å; L85-R89 PolarHBondContact O-N 3.2Å |
| 86 | E | 84.6 | Confident | 78.4 | Confident | 91 Ų | 91 | 121.9 Ų | 121.9 | 43% | 0.425 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -64.4 | -40.2 | 176.7 | -162 | -174 | 157.6 | 0 | 0 | 111.9 | Q82 R88 R89 R90 | Q82-E86 WeakPolarHBondContact O-CB 3.49Å; Q82-E86 PolarHBondContact O-N 3.39Å; E86-R88 VanDerWaalsContact C-N 3.32Å; E86-R88 PolarHBondContact O-N 3.33Å; E86-R89 PolarHBondContact O-N 2.97Å; E86-R90 WeakPolarHBondContact O-CG 3.15Å; E86-R90 PolarHBondContact O-N 3.5Å; E86-R90 IonicContact OE1-CZ 2.88Å; E86-R90 IonicContact OE1-NE 3.95Å; E86-R90 PolarHBondContact OE1-NE 3.44Å; E86-R90 IonicContact OE1-NH2 3.3Å; E86-R90 PolarHBondContact OE1-NH2 3.46Å |
| 87 | R | 82.3 | Confident | 80 | Confident | 181 Ų | 181 | 125 Ų | 125 | 68% | 0.683 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -59.5 | -39.8 | 171.7 | -85.1 | 178.2 | 152.8 | -163.8 | -5.8 | 112.8 | K83 Q84 F91 | K83-R87 WeakPolarHBondContact O-CB 2.92Å; K83-R87 WeakPolarHBondContact O-CG 3.27Å; K83-R87 PolarHBondContact O-N 2.78Å; K83-R87 VanDerWaalsContact O-N 3.15Å; Q84-R87 PolarHBondContact O-N 3.17Å; R87-F91 WeakPolarHBondContact O-CB 3.33Å; R87-F91 PolarHBondContact O-N 3.09Å |
| 88 | R | 82.2 | Confident | 81.3 | Confident | 172 Ų | 172 | 124.3 Ų | 124.3 | 65% | 0.649 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -65.6 | -44.2 | 175.5 | -84.6 | -177.7 | 161.9 | -130.6 | -0.4 | 112 | Q84 L85 E86 F91 Q92 | Q84-R88 PolarHBondContact O-N 3.02Å; Q84-R88 VanDerWaalsContact O-N 3.11Å; L85-R88 WeakPolarHBondContact O-CB 3.39Å; L85-R88 PolarHBondContact O-N 3.24Å; E86-R88 VanDerWaalsContact C-N 3.32Å; E86-R88 PolarHBondContact O-N 3.33Å; R88-F91 PolarHBondContact O-N 3.42Å; R88-Q92 WeakPolarHBondContact O-CG 3.38Å; R88-Q92 PolarHBondContact O-N 2.88Å |
| 89 | R | 84.9 | Confident | 82.2 | Confident | 165 Ų | 165 | 125 Ų | 125 | 62% | 0.623 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -61.1 | -45.7 | 176.3 | -71.4 | -178.8 | 179.8 | -177.2 | -0.8 | 111.6 | L85 E86 F91 Q92 S93 | L85-R89 PolarHBondContact O-N 3.2Å; E86-R89 PolarHBondContact O-N 2.97Å; R89-F91 VanDerWaalsContact C-N 3.32Å; R89-F91 PolarHBondContact O-N 2.93Å; R89-Q92 PolarHBondContact O-N 3Å; R89-S93 PolarHBondContact O-N 3.49Å; R89-S93 PolarHBondContact O-OG 2.71Å |
| 90 | R | 80.3 | Confident | 82.9 | Confident | 159 Ų | 159 | 125.2 Ų | 125.2 | 60% | 0.6 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -60.9 | -39.5 | 174.7 | -71 | -177.7 | -169.4 | -148.9 | 4 | 112.3 | E86 Q92 S93 M94 | E86-R90 WeakPolarHBondContact O-CG 3.15Å; E86-R90 PolarHBondContact O-N 3.5Å; E86-R90 IonicContact OE1-CZ 2.88Å; E86-R90 IonicContact OE1-NE 3.95Å; E86-R90 PolarHBondContact OE1-NE 3.44Å; E86-R90 IonicContact OE1-NH2 3.3Å; E86-R90 PolarHBondContact OE1-NH2 3.46Å; R90-Q92 VanDerWaalsContact C-N 3.34Å; R90-S93 WeakPolarHBondContact CA-OG 3Å; R90-S93 PolarHBondContact O-N 2.88Å; R90-S93 PolarHBondContact O-OG 2.86Å; R90-M94 WeakPolarHBondContact O-CG 3.28Å; R90-M94 PolarHBondContact O-N 2.86Å |
| 91 | F | 77.8 | Confident | 83.4 | Confident | 111 Ų | 111 | 124.1 Ų | 124.1 | 49% | 0.487 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.9 | -36.2 | 177.1 | -171.7 | -94.9 | 0 | 0 | 0 | 112.5 | R87 R88 R89 M94 R99 | R87-F91 WeakPolarHBondContact O-CB 3.33Å; R87-F91 PolarHBondContact O-N 3.09Å; R88-F91 PolarHBondContact O-N 3.42Å; R89-F91 VanDerWaalsContact C-N 3.32Å; R89-F91 PolarHBondContact O-N 2.93Å; F91-M94 HydrophobicContact CD2-CE 3.44Å; F91-M94 VanDerWaalsContact CD2-CE 3.44Å; F91-M94 HydrophobicContact CE2-CE 3.76Å; F91-M94 HydrophobicContact CG-CE 4.21Å; F91-R99 HydrophobicContact CZ-CG 4.46Å; F91-R99 PolarHBondContact O-NE 3.23Å; F91-R99 PolarHBondContact O-NH2 3.24Å |
| 92 | Q | 81.3 | Confident | 83.7 | Confident | 132 Ų | 132 | 115.9 Ų | 115.9 | 62% | 0.617 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -69.4 | -35.5 | 175.6 | -74.1 | 172.5 | -14 | 0 | 0 | 112.2 | R88 R89 R90 M94 R99 | R88-Q92 WeakPolarHBondContact O-CG 3.38Å; R88-Q92 PolarHBondContact O-N 2.88Å; R89-Q92 PolarHBondContact O-N 3Å; R90-Q92 VanDerWaalsContact C-N 3.34Å; Q92-M94 VanDerWaalsContact C-N 3.33Å; Q92-M94 PolarHBondContact O-N 3.11Å; Q92-R99 PolarHBondContact O-NH2 3.35Å |
| 93 | S | 84.2 | Confident | 83.8 | Confident | 94 Ų | 94 | 111.9 Ų | 111.9 | 66% | 0.657 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -79.1 | -8.8 | 177.9 | 67.9 | 0 | 0 | 0 | 0 | 114.8 | R89 R90 | R89-S93 PolarHBondContact O-N 3.49Å; R89-S93 PolarHBondContact O-OG 2.71Å; R90-S93 WeakPolarHBondContact CA-OG 3Å; R90-S93 PolarHBondContact O-N 2.88Å; R90-S93 PolarHBondContact O-OG 2.86Å |
| 94 | M | 85.6 | Confident | 83.5 | Confident | 48 Ų | 48 | 112.6 Ų | 112.6 | 24% | 0.236 | 51% | 0.506 | C | S | . | . | S | Bend | trans | -72.7 | 141.4 | 177.2 | -78.5 | -178.9 | -20.7 | 0 | 0 | 111.9 | R90 F91 Q92 E98 R99 A102 | R90-M94 WeakPolarHBondContact O-CG 3.28Å; R90-M94 PolarHBondContact O-N 2.86Å; F91-M94 HydrophobicContact CD2-CE 3.44Å; F91-M94 VanDerWaalsContact CD2-CE 3.44Å; F91-M94 HydrophobicContact CE2-CE 3.76Å; F91-M94 HydrophobicContact CG-CE 4.21Å; Q92-M94 VanDerWaalsContact C-N 3.33Å; Q92-M94 PolarHBondContact O-N 3.11Å; M94-E98 WeakPolarHBondContact CA-OE2 3.3Å; M94-E98 HydrophobicContact CB-CB 4.03Å; M94-E98 HydrophobicContact CG-CB 4.16Å; M94-E98 HydrophobicContact SD-CB 4.42Å; M94-R99 HydrophobicContact CB-CG 3.97Å; M94-R99 HydrophobicContact CE-CB 4.36Å; M94-R99 HydrophobicContact CE-CG 3.59Å; M94-R99 PolarHBondContact O-NE 3.46Å; M94-A102 HydrophobicContact CE-CB 4.17Å |
| 95 | T | 90 | Very high | 83 | Confident | 80 Ų | 80 | 112 Ų | 112 | 49% | 0.491 | 51% | 0.507 | S | S | . | . | trans | -66.3 | 161.7 | 169.7 | 61.3 | 0 | 0 | 0 | 0 | 111.6 | E97 E98 R99 | T95-E97 VanDerWaalsContact C-N 3.28Å; T95-E97 PolarHBondContact O-N 3.26Å; T95-E98 PolarHBondContact N-OE2 3.24Å; T95-E98 PolarHBondContact O-N 3.12Å; T95-E98 WeakPolarHBondContact OG1-CB 3.43Å; T95-E98 VanDerWaalsContact OG1-CD 3.24Å; T95-E98 WeakPolarHBondContact OG1-CG 3.44Å; T95-E98 PolarHBondContact OG1-N 3.06Å; T95-E98 PolarHBondContact OG1-OE2 3.22Å; T95-R99 WeakPolarHBondContact O-CG 3.22Å; T95-R99 PolarHBondContact O-N 3Å | ||
| 96 | E | 86.6 | Confident | 82.4 | Confident | 103 Ų | 103 | 112.7 Ų | 112.7 | 48% | 0.481 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.2 | -36.7 | 179.1 | 179.3 | 56.6 | -159.6 | 0 | 0 | 112.3 | R99 R100 | E96-R99 PolarHBondContact O-N 3.31Å; E96-R100 VanDerWaalsContact O-CG 3.28Å; E96-R100 WeakPolarHBondContact O-CG 3.47Å; E96-R100 PolarHBondContact O-N 3.33Å; E96-R100 IonicContact OE1-CZ 2.81Å; E96-R100 IonicContact OE1-NE 3.68Å; E96-R100 PolarHBondContact OE1-NE 2.91Å; E96-R100 IonicContact OE1-NH2 3.28Å; E96-R100 PolarHBondContact OE1-NH2 2.85Å |
| 97 | E | 87.6 | Confident | 81.5 | Confident | 120 Ų | 120 | 115.7 Ų | 115.7 | 56% | 0.561 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.6 | -42.8 | 174.2 | -73.1 | -164.8 | -178.1 | 0 | 0 | 113 | T95 R99 R100 R101 | T95-E97 VanDerWaalsContact C-N 3.28Å; T95-E97 PolarHBondContact O-N 3.26Å; E97-R99 VanDerWaalsContact C-N 3.35Å; E97-R100 PolarHBondContact O-N 3.45Å; E97-R101 WeakPolarHBondContact O-CG 3.46Å; E97-R101 PolarHBondContact O-N 3.18Å; E97-R101 IonicContact OE2-CZ 2.73Å; E97-R101 IonicContact OE2-NH2 3.53Å; E97-R101 PolarHBondContact OE2-NH2 2.98Å |
| 98 | E | 86.8 | Confident | 80.5 | Confident | 88 Ų | 88 | 115.9 Ų | 115.9 | 41% | 0.411 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.6 | -38.9 | 177.2 | -72.1 | 169.5 | 141.1 | 0 | 0 | 111.5 | M94 T95 R100 R101 A102 | M94-E98 WeakPolarHBondContact CA-OE2 3.3Å; M94-E98 HydrophobicContact CB-CB 4.03Å; M94-E98 HydrophobicContact CG-CB 4.16Å; M94-E98 HydrophobicContact SD-CB 4.42Å; T95-E98 PolarHBondContact N-OE2 3.24Å; T95-E98 PolarHBondContact O-N 3.12Å; T95-E98 WeakPolarHBondContact OG1-CB 3.43Å; T95-E98 VanDerWaalsContact OG1-CD 3.24Å; T95-E98 WeakPolarHBondContact OG1-CG 3.44Å; T95-E98 PolarHBondContact OG1-N 3.06Å; T95-E98 PolarHBondContact OG1-OE2 3.22Å; E98-R100 VanDerWaalsContact C-N 3.35Å; E98-R101 PolarHBondContact O-N 3.38Å; E98-A102 VanDerWaalsContact O-CB 3.27Å; E98-A102 WeakPolarHBondContact O-CB 3.27Å; E98-A102 PolarHBondContact O-N 2.64Å |
| 99 | R | 85.1 | Confident | 79.4 | Confident | 83 Ų | 83 | 117.4 Ų | 117.4 | 31% | 0.313 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.2 | -42.8 | 171.9 | -73.6 | 178.8 | -178.1 | 173.1 | 8.5 | 111.6 | F91 Q92 M94 T95 E96 E97 A102 A103 | F91-R99 HydrophobicContact CZ-CG 4.46Å; F91-R99 PolarHBondContact O-NE 3.23Å; F91-R99 PolarHBondContact O-NH2 3.24Å; Q92-R99 PolarHBondContact O-NH2 3.35Å; M94-R99 HydrophobicContact CB-CG 3.97Å; M94-R99 HydrophobicContact CE-CB 4.36Å; M94-R99 HydrophobicContact CE-CG 3.59Å; M94-R99 PolarHBondContact O-NE 3.46Å; T95-R99 WeakPolarHBondContact O-CG 3.22Å; T95-R99 PolarHBondContact O-N 3Å; E96-R99 PolarHBondContact O-N 3.31Å; E97-R99 VanDerWaalsContact C-N 3.35Å; R99-A102 PolarHBondContact O-N 3.44Å; R99-A103 VanDerWaalsContact O-CB 3.24Å; R99-A103 WeakPolarHBondContact O-CB 3.47Å; R99-A103 PolarHBondContact O-N 2.93Å |
| 100 | R | 85.5 | Confident | 78.4 | Confident | 146 Ų | 146 | 118 Ų | 118 | 55% | 0.551 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.5 | -37.7 | 175.2 | -71.8 | 172.8 | -175 | -163.4 | 0.4 | 112.6 | E96 E97 E98 R104 | E96-R100 VanDerWaalsContact O-CG 3.28Å; E96-R100 WeakPolarHBondContact O-CG 3.47Å; E96-R100 PolarHBondContact O-N 3.33Å; E96-R100 IonicContact OE1-CZ 2.81Å; E96-R100 IonicContact OE1-NE 3.68Å; E96-R100 PolarHBondContact OE1-NE 2.91Å; E96-R100 IonicContact OE1-NH2 3.28Å; E96-R100 PolarHBondContact OE1-NH2 2.85Å; E97-R100 PolarHBondContact O-N 3.45Å; E98-R100 VanDerWaalsContact C-N 3.35Å; R100-R104 WeakPolarHBondContact O-CB 3.49Å; R100-R104 VanDerWaalsContact O-CG 3.3Å; R100-R104 WeakPolarHBondContact O-CG 3.34Å; R100-R104 PolarHBondContact O-N 3.01Å; R100-R104 PolarHBondContact O-NE 3.46Å |
| 101 | R | 84.5 | Confident | 78.1 | Confident | 139 Ų | 139 | 115.5 Ų | 115.5 | 53% | 0.525 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -68.2 | -45 | 174.7 | -70.3 | 175.3 | -165.3 | 168.7 | 9.6 | 111 | E97 E98 A103 R104 L105 | E97-R101 WeakPolarHBondContact O-CG 3.46Å; E97-R101 PolarHBondContact O-N 3.18Å; E97-R101 IonicContact OE2-CZ 2.73Å; E97-R101 IonicContact OE2-NH2 3.53Å; E97-R101 PolarHBondContact OE2-NH2 2.98Å; E98-R101 PolarHBondContact O-N 3.38Å; R101-A103 PolarHBondContact O-N 3.32Å; R101-R104 WeakPolarHBondContact O-CB 3.26Å; R101-R104 PolarHBondContact O-N 3.43Å; R101-L105 WeakPolarHBondContact O-CG 3.48Å; R101-L105 PolarHBondContact O-N 3.2Å |
| 102 | A | 81.9 | Confident | 78.5 | Confident | 24 Ų | 24 | 112.2 Ų | 112.2 | 20% | 0.198 | 52% | 0.524 | C | S | . | . | H | α-helix | trans | -62.3 | -41.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | M94 E98 R99 L105 I106 | M94-A102 HydrophobicContact CE-CB 4.17Å; E98-A102 VanDerWaalsContact O-CB 3.27Å; E98-A102 WeakPolarHBondContact O-CB 3.27Å; E98-A102 PolarHBondContact O-N 2.64Å; R99-A102 PolarHBondContact O-N 3.44Å; A102-L105 PolarHBondContact O-N 3.04Å; A102-I106 WeakPolarHBondContact O-CB 3.27Å; A102-I106 WeakPolarHBondContact O-CD1 3.26Å; A102-I106 WeakPolarHBondContact O-CG1 3.26Å; A102-I106 PolarHBondContact O-N 2.92Å |
| 103 | A | 80.9 | Confident | 79 | Confident | 58 Ų | 58 | 109 Ų | 109 | 48% | 0.479 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.3 | -40.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | R99 R101 I106 K107 | R99-A103 VanDerWaalsContact O-CB 3.24Å; R99-A103 WeakPolarHBondContact O-CB 3.47Å; R99-A103 PolarHBondContact O-N 2.93Å; R101-A103 PolarHBondContact O-N 3.32Å; A103-I106 PolarHBondContact O-N 3.35Å; A103-K107 WeakPolarHBondContact O-CB 3.31Å; A103-K107 PolarHBondContact O-N 3.05Å |
| 104 | R | 76.2 | Confident | 79.3 | Confident | 153 Ų | 153 | 106.2 Ų | 106.2 | 58% | 0.577 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61.6 | -43.3 | 172.7 | -78.6 | -177.5 | -91.2 | -169.4 | -4.9 | 112 | R100 R101 K107 R108 | R100-R104 WeakPolarHBondContact O-CB 3.49Å; R100-R104 VanDerWaalsContact O-CG 3.3Å; R100-R104 WeakPolarHBondContact O-CG 3.34Å; R100-R104 PolarHBondContact O-N 3.01Å; R100-R104 PolarHBondContact O-NE 3.46Å; R101-R104 WeakPolarHBondContact O-CB 3.26Å; R101-R104 PolarHBondContact O-N 3.43Å; R104-K107 PolarHBondContact O-N 2.86Å; R104-R108 WeakPolarHBondContact O-CG 3.34Å; R104-R108 PolarHBondContact O-N 3.15Å |
| 105 | L | 71.5 | Confident | 79.5 | Confident | 114 Ų | 114 | 108.8 Ų | 108.8 | 60% | 0.597 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.3 | -39.9 | 175.8 | -70.8 | 167.5 | 0 | 0 | 0 | 112.3 | R101 A102 R108 R109 | R101-L105 WeakPolarHBondContact O-CG 3.48Å; R101-L105 PolarHBondContact O-N 3.2Å; A102-L105 PolarHBondContact O-N 3.04Å; L105-R108 PolarHBondContact O-N 3.39Å; L105-R109 PolarHBondContact O-N 3.41Å; L105-R109 VanDerWaalsContact O-N 3.14Å |
| 106 | I | 71.1 | Confident | 79.6 | Confident | 106 Ų | 106 | 111.1 Ų | 111.1 | 54% | 0.544 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.6 | -39.6 | 175.9 | -68.1 | 162.7 | 0 | 0 | 0 | 110.8 | A102 A103 R109 K110 | A102-I106 WeakPolarHBondContact O-CB 3.27Å; A102-I106 WeakPolarHBondContact O-CD1 3.26Å; A102-I106 WeakPolarHBondContact O-CG1 3.26Å; A102-I106 PolarHBondContact O-N 2.92Å; A103-I106 PolarHBondContact O-N 3.35Å; I106-R109 WeakPolarHBondContact O-CB 3.36Å; I106-R109 PolarHBondContact O-N 2.99Å; I106-R109 VanDerWaalsContact O-N 3.11Å; I106-K110 PolarHBondContact O-N 2.98Å |
| 107 | K | 64.8 | Low | 79.8 | Confident | 153 Ų | 153 | 107.7 Ų | 107.7 | 67% | 0.665 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.2 | -46.8 | 174.7 | -171.7 | -179.9 | 179.2 | -176 | 0 | 111.1 | A103 R104 R109 K110 | A103-K107 WeakPolarHBondContact O-CB 3.31Å; A103-K107 PolarHBondContact O-N 3.05Å; R104-K107 PolarHBondContact O-N 2.86Å; K107-R109 PolarHBondContact O-N 3.41Å; K107-R109 VanDerWaalsContact O-N 3.12Å; K107-K110 WeakPolarHBondContact O-CB 3.49Å; K107-K110 PolarHBondContact O-N 3.35Å |
| 108 | R | 61.1 | Low | 79.9 | Confident | 186 Ų | 186 | 104.8 Ų | 104.8 | 70% | 0.702 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -57 | -26.8 | 172.8 | -74.7 | 178.5 | 176.7 | -168.5 | -2.8 | 113.3 | R104 L105 | R104-R108 WeakPolarHBondContact O-CG 3.34Å; R104-R108 PolarHBondContact O-N 3.15Å; L105-R108 PolarHBondContact O-N 3.39Å |
| 109 | R | 61.1 | Low | 80 | Confident | 204 Ų | 204 | 107.2 Ų | 107.2 | 77% | 0.77 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -81.3 | -20.8 | 178 | -154.9 | -179 | -171.1 | 170.9 | 5.8 | 113.6 | L105 I106 K107 D111 | L105-R109 PolarHBondContact O-N 3.41Å; L105-R109 VanDerWaalsContact O-N 3.14Å; I106-R109 WeakPolarHBondContact O-CB 3.36Å; I106-R109 PolarHBondContact O-N 2.99Å; I106-R109 VanDerWaalsContact O-N 3.11Å; K107-R109 PolarHBondContact O-N 3.41Å; K107-R109 VanDerWaalsContact O-N 3.12Å; R109-D111 VanDerWaalsContact C-N 3.26Å; R109-D111 PolarHBondContact O-N 3.47Å |
| 110 | K | 62.2 | Low | 80.3 | Confident | 177 Ų | 177 | 107.1 Ų | 107.1 | 77% | 0.77 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -68.7 | -28 | 177.9 | -104.8 | 178.8 | 170.7 | -173.5 | 0 | 112.1 | I106 K107 S112 | I106-K110 PolarHBondContact O-N 2.98Å; K107-K110 WeakPolarHBondContact O-CB 3.49Å; K107-K110 PolarHBondContact O-N 3.35Å; K110-S112 PolarHBondContact O-N 3.38Å |
| 111 | D | 74.8 | Confident | 80.5 | Confident | 107 Ų | 107 | 102 Ų | 102 | 57% | 0.572 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -95.1 | 71.4 | -179.8 | -51.2 | -29 | 0 | 0 | 0 | 109.2 | R109 K143 | R109-D111 VanDerWaalsContact C-N 3.26Å; R109-D111 PolarHBondContact O-N 3.47Å; D111-K143 WeakPolarHBondContact O-CE 3.38Å; D111-K143 PolarHBondContact O-NZ 3.03Å |
| 112 | S | 86.6 | Confident | 80.7 | Confident | 41 Ų | 41 | 102.5 Ų | 102.5 | 29% | 0.287 | 48% | 0.476 | S | S | . | . | trans | -110.4 | 134.8 | 176.2 | 83.6 | 0 | 0 | 0 | 0 | 111.4 | K110 T114 D139 | K110-S112 PolarHBondContact O-N 3.38Å; S112-T114 VanDerWaalsContact C-N 3.25Å; S112-T114 PolarHBondContact O-N 2.88Å; S112-T114 PolarHBondContact OG-OG1 3.45Å; S112-T114 VanDerWaalsContact OG-OG1 3.11Å; S112-D139 WeakPolarHBondContact CA-OD1 3.42Å | ||
| 113 | F | 91 | Very high | 80.9 | Confident | 64 Ų | 64 | 108.1 Ų | 108.1 | 28% | 0.281 | 50% | 0.503 | S | S | . | . | trans | -85.3 | 2.5 | 177.3 | -62.2 | -77.3 | 0 | 0 | 0 | 113.2 | I115 Y116 F117 D139 V142 K143 F146 | F113-I115 PolarHBondContact O-N 3.4Å; F113-Y116 HydrophobicContact CB-CD2 4.15Å; F113-Y116 HydrophobicContact CD1-CD2 4.02Å; F113-Y116 HydrophobicContact CD1-CE2 4.13Å; F113-Y116 WeakPolarHBondContact O-CD2 3.49Å; F113-Y116 PolarHBondContact O-N 2.99Å; F113-F117 HydrophobicContact CB-CE2 3.97Å; F113-F117 HydrophobicContact CB-CZ 3.82Å; F113-F117 WeakPolarHBondContact O-CD2 3.5Å; F113-F117 WeakPolarHBondContact O-CE2 3.26Å; F113-D139 PolarHBondContact N-OD1 3.28Å; F113-V142 HydrophobicContact CD2-CB 4.33Å; F113-V142 HydrophobicContact CD2-CG1 3.74Å; F113-V142 HydrophobicContact CE2-CG1 3.87Å; F113-V142 HydrophobicContact CG-CG1 4.11Å; F113-V142 HydrophobicContact CZ-CG1 4.34Å; F113-K143 HydrophobicContact CD2-CG 4.44Å; F113-K143 HydrophobicContact CE2-CG 4.06Å; F113-F146 HydrophobicContact CE1-CE2 4.08Å; F113-F146 HydrophobicContact CE2-CD2 4.21Å; F113-F146 HydrophobicContact CE2-CE2 4.19Å; F113-F146 AromaticContact CZ-CD2 3.99Å; F113-F146 HydrophobicContact CZ-CD2 3.99Å; F113-F146 AromaticContact CZ-CE2 3.7Å; F113-F146 HydrophobicContact CZ-CE2 3.7Å | ||
| 114 | T | 90.3 | Very high | 81.2 | Confident | 36 Ų | 36 | 110.5 Ų | 110.5 | 22% | 0.221 | 51% | 0.506 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -30 | -172.8 | 58.6 | 0 | 0 | 0 | 0 | 114.7 | S112 Y116 P118 L135 D139 | S112-T114 VanDerWaalsContact C-N 3.25Å; S112-T114 PolarHBondContact O-N 2.88Å; S112-T114 PolarHBondContact OG-OG1 3.45Å; S112-T114 VanDerWaalsContact OG-OG1 3.11Å; T114-Y116 VanDerWaalsContact C-N 3.32Å; T114-Y116 PolarHBondContact O-N 2.94Å; T114-P118 WeakPolarHBondContact O-CD 3.39Å; T114-L135 HydrophobicContact CG2-CB 4.4Å; T114-D139 HydrophobicContact CG2-CB 4.29Å |
| 115 | I | 90.2 | Very high | 81.5 | Confident | 102 Ų | 102 | 109.5 Ų | 109.5 | 52% | 0.523 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -28.2 | 179.2 | -61.3 | 169.8 | 0 | 0 | 0 | 111.9 | F113 | F113-I115 PolarHBondContact O-N 3.4Š|
| 116 | Y | 91.2 | Very high | 81.9 | Confident | 130 Ų | 130 | 111.8 Ų | 111.8 | 51% | 0.51 | 52% | 0.517 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -33.7 | -174.1 | -57.2 | -72.5 | 0 | 0 | 0 | 112.6 | F113 T114 R119 V120 | F113-Y116 HydrophobicContact CB-CD2 4.15Å; F113-Y116 HydrophobicContact CD1-CD2 4.02Å; F113-Y116 HydrophobicContact CD1-CE2 4.13Å; F113-Y116 WeakPolarHBondContact O-CD2 3.49Å; F113-Y116 PolarHBondContact O-N 2.99Å; T114-Y116 VanDerWaalsContact C-N 3.32Å; T114-Y116 PolarHBondContact O-N 2.94Å; Y116-R119 WeakPolarHBondContact O-CA 3.33Å; Y116-R119 WeakPolarHBondContact O-CB 3.12Å; Y116-R119 PolarHBondContact O-N 3.38Å; Y116-V120 WeakPolarHBondContact O-CG2 3.44Å; Y116-V120 PolarHBondContact O-N 3.22Å |
| 117 | F | 92.1 | Very high | 82.3 | Confident | 31 Ų | 31 | 110.5 Ų | 110.5 | 14% | 0.136 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -58.9 | -47.4 | -175.7 | -51.9 | -68.6 | 0 | 0 | 0 | 113.3 | F113 R119 V120 L121 L130 L135 L138 D139 V142 | F113-F117 HydrophobicContact CB-CE2 3.97Å; F113-F117 HydrophobicContact CB-CZ 3.82Å; F113-F117 WeakPolarHBondContact O-CD2 3.5Å; F113-F117 WeakPolarHBondContact O-CE2 3.26Å; F117-R119 PolarHBondContact O-N 2.74Å; F117-V120 PolarHBondContact O-N 3.01Å; F117-L121 WeakPolarHBondContact O-CB 3.42Å; F117-L121 WeakPolarHBondContact O-CD1 3.2Å; F117-L121 VanDerWaalsContact O-CG 3.26Å; F117-L121 WeakPolarHBondContact O-CG 3.3Å; F117-L121 PolarHBondContact O-N 3.02Å; F117-L130 HydrophobicContact CB-CD1 4.11Å; F117-L135 HydrophobicContact CB-CD2 3.78Å; F117-L135 HydrophobicContact CD2-CD2 3.68Å; F117-L135 HydrophobicContact CG-CD2 4.12Å; F117-L138 HydrophobicContact CD1-CB 4.34Å; F117-L138 HydrophobicContact CD1-CD1 4.42Å; F117-L138 HydrophobicContact CD2-CB 4.45Å; F117-L138 HydrophobicContact CE1-CB 3.91Å; F117-L138 HydrophobicContact CE2-CB 4.03Å; F117-L138 HydrophobicContact CG-CD1 4.48Å; F117-L138 HydrophobicContact CZ-CB 3.74Å; F117-D139 HydrophobicContact CE2-CB 4.4Å; F117-V142 HydrophobicContact CE1-CG2 3.97Å; F117-V142 HydrophobicContact CZ-CG2 4.06Å |
| 118 | P | 89.6 | Confident | 83.2 | Confident | 59 Ų | 59 | 108.5 Ų | 108.5 | 38% | 0.383 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.9 | -24.5 | 176.3 | -20.2 | 33.7 | 0 | 0 | 0 | 113.5 | T114 R122 | T114-P118 WeakPolarHBondContact O-CD 3.39Å; P118-R122 VanDerWaalsContact O-CG 3.3Å; P118-R122 WeakPolarHBondContact O-CG 3.41Å; P118-R122 PolarHBondContact O-N 3.23Å; P118-R122 PolarHBondContact O-NE 3.35Å |
| 119 | R | 89.5 | Confident | 84.4 | Confident | 139 Ų | 139 | 105.7 Ų | 105.7 | 53% | 0.525 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -71.8 | -45.7 | 174.8 | -62.1 | 177.1 | -179 | -170.6 | -1.4 | 110.7 | Y116 F117 N123 | Y116-R119 WeakPolarHBondContact O-CA 3.33Å; Y116-R119 WeakPolarHBondContact O-CB 3.12Å; Y116-R119 PolarHBondContact O-N 3.38Å; F117-R119 PolarHBondContact O-N 2.74Å; R119-N123 PolarHBondContact O-OD1 2.97Å |
| 120 | V | 90.7 | Very high | 85.8 | Confident | 81 Ų | 81 | 98 Ų | 98 | 49% | 0.491 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67 | -42.9 | 178.2 | 176.3 | 0 | 0 | 0 | 0 | 111.2 | Y116 F117 R122 N123 I124 | Y116-V120 WeakPolarHBondContact O-CG2 3.44Å; Y116-V120 PolarHBondContact O-N 3.22Å; F117-V120 PolarHBondContact O-N 3.01Å; V120-R122 VanDerWaalsContact C-N 3.34Å; V120-R122 PolarHBondContact O-N 3.08Å; V120-N123 WeakPolarHBondContact O-CB 3.46Å; V120-N123 PolarHBondContact O-N 3.39Å; V120-N123 VanDerWaalsContact O-N 3.08Å; V120-I124 HydrophobicContact CG1-CD1 4.33Å |
| 121 | L | 89.3 | Confident | 87.3 | Confident | 39 Ų | 39 | 92.3 Ų | 92.3 | 20% | 0.204 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -65.9 | -35 | -177.2 | -73.8 | 165.4 | 0 | 0 | 0 | 113.3 | F117 N123 I124 H125 F128 L130 | F117-L121 WeakPolarHBondContact O-CB 3.42Å; F117-L121 WeakPolarHBondContact O-CD1 3.2Å; F117-L121 VanDerWaalsContact O-CG 3.26Å; F117-L121 WeakPolarHBondContact O-CG 3.3Å; F117-L121 PolarHBondContact O-N 3.02Å; L121-N123 PolarHBondContact O-N 3.27Å; L121-I124 PolarHBondContact O-N 3.01Å; L121-H125 PolarHBondContact O-N 2.93Å; L121-F128 HydrophobicContact CB-CD1 4.29Å; L121-F128 HydrophobicContact CD1-CD1 3.71Å; L121-F128 HydrophobicContact CD1-CE1 3.71Å; L121-F128 HydrophobicContact CD2-CD1 3.81Å; L121-F128 HydrophobicContact CD2-CE1 3.91Å; L121-F128 HydrophobicContact CG-CD1 4.14Å; L121-F128 HydrophobicContact CG-CE1 4.39Å; L121-L130 HydrophobicContact CD1-CD1 3.27Å; L121-L130 HydrophobicContact CD1-CD2 4.4Å; L121-L130 HydrophobicContact CD1-CG 3.51Å |
| 122 | R | 87.9 | Confident | 88 | Confident | 148 Ų | 148 | 94.1 Ų | 94.1 | 56% | 0.558 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -60.2 | -27.5 | 174.2 | -79.2 | -174 | -64.1 | 175.5 | 6.6 | 112.8 | P118 V120 I124 M126 | P118-R122 VanDerWaalsContact O-CG 3.3Å; P118-R122 WeakPolarHBondContact O-CG 3.41Å; P118-R122 PolarHBondContact O-N 3.23Å; P118-R122 PolarHBondContact O-NE 3.35Å; V120-R122 VanDerWaalsContact C-N 3.34Å; V120-R122 PolarHBondContact O-N 3.08Å; R122-I124 VanDerWaalsContact C-N 3.33Å; R122-M126 HydrophobicContact CB-CE 4.06Å; R122-M126 HydrophobicContact CG-CE 4.33Å; R122-M126 WeakPolarHBondContact O-CE 3.41Å |
| 123 | N | 86 | Confident | 88.3 | Confident | 143 Ų | 143 | 99 Ų | 99 | 77% | 0.765 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -74.9 | -24.3 | 176.8 | -60 | -11.2 | 0 | 0 | 0 | 112.6 | R119 V120 L121 | R119-N123 PolarHBondContact O-OD1 2.97Å; V120-N123 WeakPolarHBondContact O-CB 3.46Å; V120-N123 PolarHBondContact O-N 3.39Å; V120-N123 VanDerWaalsContact O-N 3.08Å; L121-N123 PolarHBondContact O-N 3.27Å |
| 124 | I | 88.8 | Confident | 88.4 | Confident | 108 Ų | 108 | 98.1 Ų | 98.1 | 55% | 0.554 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -96.7 | -47.7 | -175.2 | -53.5 | 171.4 | 0 | 0 | 0 | 110.2 | V120 L121 R122 | V120-I124 HydrophobicContact CG1-CD1 4.33Å; L121-I124 PolarHBondContact O-N 3.01Å; R122-I124 VanDerWaalsContact C-N 3.33Å |
| 125 | H | 81.3 | Confident | 88.5 | Confident | 131 Ų | 131 | 96.9 Ų | 96.9 | 61% | 0.606 | 50% | 0.499 | S | S | * | . | trans | -142.9 | 119.9 | 178.2 | -65.1 | -60.2 | 0 | 0 | 0 | 111.2 | L121 G127 F128 | L121-H125 PolarHBondContact O-N 2.93Å; H125-G127 PolarHBondContact O-N 2.9Å; H125-F128 HydrophobicContact CB-CB 4.45Å | ||
| 126 | M | 81.1 | Confident | 88.6 | Confident | 162 Ų | 162 | 96.5 Ų | 96.5 | 80% | 0.798 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | 122.2 | 169.3 | -56.9 | -115.8 | 87.9 | 0 | 0 | 108.4 | R122 | R122-M126 HydrophobicContact CB-CE 4.06Å; R122-M126 HydrophobicContact CG-CE 4.33Å; R122-M126 WeakPolarHBondContact O-CE 3.41Å |
| 127 | G | 79 | Confident | 88.8 | Confident | 79 Ų | 79 | 95.6 Ų | 95.6 | 81% | 0.814 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 110.8 | -5.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | H125 | H125-G127 PolarHBondContact O-N 2.9Š|
| 128 | F | 84.4 | Confident | 88.9 | Confident | 112 Ų | 112 | 97 Ų | 97 | 49% | 0.491 | 51% | 0.51 | S | S | . | . | trans | -86.4 | 126 | 174.6 | -173.8 | -106.1 | 0 | 0 | 0 | 111.8 | L121 H125 L130 | L121-F128 HydrophobicContact CB-CD1 4.29Å; L121-F128 HydrophobicContact CD1-CD1 3.71Å; L121-F128 HydrophobicContact CD1-CE1 3.71Å; L121-F128 HydrophobicContact CD2-CD1 3.81Å; L121-F128 HydrophobicContact CD2-CE1 3.91Å; L121-F128 HydrophobicContact CG-CD1 4.14Å; L121-F128 HydrophobicContact CG-CE1 4.39Å; H125-F128 HydrophobicContact CB-CB 4.45Å; F128-L130 HydrophobicContact CD1-CD2 4.48Å; F128-L130 HydrophobicContact CD1-CG 4.38Å; F128-L130 HydrophobicContact CE1-CD2 3.33Å; F128-L130 HydrophobicContact CE1-CG 3.6Å; F128-L130 HydrophobicContact CZ-CD2 3.51Å; F128-L130 HydrophobicContact CZ-CG 4.25Å | ||
| 129 | T | 86.3 | Confident | 89.1 | Confident | 127 Ų | 127 | 95 Ų | 95 | 78% | 0.779 | 50% | 0.496 | S | S | * | . | trans | -124.2 | 123.7 | 176.7 | 59.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 130 | L | 89.3 | Confident | 89.2 | Confident | 41 Ų | 41 | 91.8 Ų | 91.8 | 22% | 0.215 | 50% | 0.495 | C | S | . | . | trans | -81.3 | 143.4 | 177.1 | -75.2 | 176.4 | 0 | 0 | 0 | 112.4 | F117 L121 F128 L135 L138 | F117-L130 HydrophobicContact CB-CD1 4.11Å; L121-L130 HydrophobicContact CD1-CD1 3.27Å; L121-L130 HydrophobicContact CD1-CD2 4.4Å; L121-L130 HydrophobicContact CD1-CG 3.51Å; F128-L130 HydrophobicContact CD1-CD2 4.48Å; F128-L130 HydrophobicContact CD1-CG 4.38Å; F128-L130 HydrophobicContact CE1-CD2 3.33Å; F128-L130 HydrophobicContact CE1-CG 3.6Å; F128-L130 HydrophobicContact CZ-CD2 3.51Å; F128-L130 HydrophobicContact CZ-CG 4.25Å; L130-L135 HydrophobicContact CB-CD2 4.01Å; L130-L135 HydrophobicContact CB-CG 4.01Å; L130-L135 HydrophobicContact CD1-CD2 3.65Å; L130-L135 HydrophobicContact CD1-CG 4.38Å; L130-L138 HydrophobicContact CD1-CD1 3.5Å | ||
| 131 | S | 93.4 | Very high | 89.4 | Confident | 59 Ų | 59 | 93.5 Ų | 93.5 | 41% | 0.413 | 50% | 0.496 | S | S | . | . | trans | -70 | 157.9 | 168.6 | 85.2 | 0 | 0 | 0 | 0 | 111.2 | E133 S134 L135 | S131-E133 PolarHBondContact O-N 2.99Å; S131-E133 PolarHBondContact OG-N 2.95Å; S131-S134 PolarHBondContact O-N 3.48Å; S131-S134 PolarHBondContact OG-N 3.44Å; S131-S134 VanDerWaalsContact OG-N 3.09Å; S131-S134 PolarHBondContact OG-OG 2.95Å; S131-L135 WeakPolarHBondContact O-CG 2.99Å; S131-L135 PolarHBondContact O-N 3.27Å | ||
| 132 | Q | 89.8 | Confident | 89.6 | Confident | 144 Ų | 144 | 93.2 Ų | 93.2 | 67% | 0.673 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.8 | -29.2 | 176.6 | -66.8 | -64.6 | -20.7 | 0 | 0 | 112.8 | N136 | Q132-N136 VanDerWaalsContact O-CG 3.25Å; Q132-N136 PolarHBondContact O-N 3.23Å; Q132-N136 PolarHBondContact O-ND2 2.99Å |
| 133 | E | 92.3 | Very high | 89.9 | Confident | 145 Ų | 145 | 88.8 Ų | 88.8 | 68% | 0.678 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -71.4 | -44.8 | 176.5 | -174.3 | 168 | -167.9 | 0 | 0 | 111.1 | S131 L135 N136 I137 | S131-E133 PolarHBondContact O-N 2.99Å; S131-E133 PolarHBondContact OG-N 2.95Å; E133-L135 VanDerWaalsContact C-N 3.29Å; E133-L135 PolarHBondContact O-N 3.29Å; E133-N136 PolarHBondContact O-N 3.36Å; E133-N136 VanDerWaalsContact O-N 3.1Å; E133-I137 HydrophobicContact CG-CD1 4.45Å; E133-I137 WeakPolarHBondContact O-CG1 3.43Å; E133-I137 PolarHBondContact O-N 3.26Å; E133-I137 VanDerWaalsContact O-N 3.07Å |
| 134 | S | 94.1 | Very high | 90.2 | Very high | 44 Ų | 44 | 84.9 Ų | 84.9 | 31% | 0.308 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -59.3 | -41.2 | 174 | -49.8 | 0 | 0 | 0 | 0 | 111.6 | S131 N136 I137 L138 | S131-S134 PolarHBondContact O-N 3.48Å; S131-S134 PolarHBondContact OG-N 3.44Å; S131-S134 VanDerWaalsContact OG-N 3.09Å; S131-S134 PolarHBondContact OG-OG 2.95Å; S134-N136 VanDerWaalsContact C-N 3.32Å; S134-N136 PolarHBondContact O-N 3.42Å; S134-I137 PolarHBondContact O-N 3.48Å; S134-L138 WeakPolarHBondContact O-CB 3.26Å; S134-L138 VanDerWaalsContact O-CG 3.26Å; S134-L138 WeakPolarHBondContact O-CG 3.47Å; S134-L138 PolarHBondContact O-N 2.94Å |
| 135 | L | 92.9 | Very high | 90.5 | Very high | 11 Ų | 11 | 81.8 Ų | 81.8 | 6% | 0.058 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -62 | -37 | 175.7 | -69.9 | 170.7 | 0 | 0 | 0 | 112.7 | T114 F117 L130 S131 E133 D139 | T114-L135 HydrophobicContact CG2-CB 4.4Å; F117-L135 HydrophobicContact CB-CD2 3.78Å; F117-L135 HydrophobicContact CD2-CD2 3.68Å; F117-L135 HydrophobicContact CG-CD2 4.12Å; L130-L135 HydrophobicContact CB-CD2 4.01Å; L130-L135 HydrophobicContact CB-CG 4.01Å; L130-L135 HydrophobicContact CD1-CD2 3.65Å; L130-L135 HydrophobicContact CD1-CG 4.38Å; S131-L135 WeakPolarHBondContact O-CG 2.99Å; S131-L135 PolarHBondContact O-N 3.27Å; E133-L135 VanDerWaalsContact C-N 3.29Å; E133-L135 PolarHBondContact O-N 3.29Å; L135-D139 VanDerWaalsContact O-CB 3.3Å; L135-D139 WeakPolarHBondContact O-CB 3.37Å; L135-D139 PolarHBondContact O-N 2.81Å |
| 136 | N | 91.9 | Very high | 91.1 | Very high | 94 Ų | 94 | 80.9 Ų | 80.9 | 50% | 0.503 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -70.4 | -38.1 | 177.4 | -67.8 | -25.9 | 0 | 0 | 0 | 112.4 | Q132 E133 S134 S140 | Q132-N136 VanDerWaalsContact O-CG 3.25Å; Q132-N136 PolarHBondContact O-N 3.23Å; Q132-N136 PolarHBondContact O-ND2 2.99Å; E133-N136 PolarHBondContact O-N 3.36Å; E133-N136 VanDerWaalsContact O-N 3.1Å; S134-N136 VanDerWaalsContact C-N 3.32Å; S134-N136 PolarHBondContact O-N 3.42Å; N136-S140 PolarHBondContact O-N 3.21Å; N136-S140 VanDerWaalsContact O-N 3.09Å; N136-S140 PolarHBondContact O-OG 3.35Å |
| 137 | I | 94.4 | Very high | 91.7 | Very high | 111 Ų | 111 | 79.6 Ų | 79.6 | 57% | 0.569 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -63.7 | -47 | 174.7 | -64.5 | 167.2 | 0 | 0 | 0 | 109.4 | E133 S134 S140 F141 | E133-I137 HydrophobicContact CG-CD1 4.45Å; E133-I137 WeakPolarHBondContact O-CG1 3.43Å; E133-I137 PolarHBondContact O-N 3.26Å; E133-I137 VanDerWaalsContact O-N 3.07Å; S134-I137 PolarHBondContact O-N 3.48Å; I137-S140 PolarHBondContact O-N 3.41Å; I137-F141 WeakPolarHBondContact O-CB 3.4Å; I137-F141 PolarHBondContact O-N 3.43Å |
| 138 | L | 94.9 | Very high | 92.5 | Very high | 61 Ų | 61 | 81.8 Ų | 81.8 | 32% | 0.319 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.5 | -40.2 | 178.2 | -69.2 | 170.7 | 0 | 0 | 0 | 112.7 | F117 L130 S134 S140 F141 V142 | F117-L138 HydrophobicContact CD1-CB 4.34Å; F117-L138 HydrophobicContact CD1-CD1 4.42Å; F117-L138 HydrophobicContact CD2-CB 4.45Å; F117-L138 HydrophobicContact CE1-CB 3.91Å; F117-L138 HydrophobicContact CE2-CB 4.03Å; F117-L138 HydrophobicContact CG-CD1 4.48Å; F117-L138 HydrophobicContact CZ-CB 3.74Å; L130-L138 HydrophobicContact CD1-CD1 3.5Å; S134-L138 WeakPolarHBondContact O-CB 3.26Å; S134-L138 VanDerWaalsContact O-CG 3.26Å; S134-L138 WeakPolarHBondContact O-CG 3.47Å; S134-L138 PolarHBondContact O-N 2.94Å; L138-S140 VanDerWaalsContact C-N 3.31Å; L138-S140 PolarHBondContact O-N 3.29Å; L138-F141 PolarHBondContact O-N 2.98Å; L138-V142 WeakPolarHBondContact O-CG2 3.45Å; L138-V142 PolarHBondContact O-N 2.91Å |
| 139 | D | 92.9 | Very high | 93.1 | Very high | 16 Ų | 16 | 77.8 Ų | 77.8 | 9% | 0.086 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -60.3 | -41.5 | 175.2 | -174.5 | 63.1 | 0 | 0 | 0 | 111.8 | S112 F113 T114 F117 L135 K143 | S112-D139 WeakPolarHBondContact CA-OD1 3.42Å; F113-D139 PolarHBondContact N-OD1 3.28Å; T114-D139 HydrophobicContact CG2-CB 4.29Å; F117-D139 HydrophobicContact CE2-CB 4.4Å; L135-D139 VanDerWaalsContact O-CB 3.3Å; L135-D139 WeakPolarHBondContact O-CB 3.37Å; L135-D139 PolarHBondContact O-N 2.81Å; D139-K143 WeakPolarHBondContact O-CD 3.28Å; D139-K143 VanDerWaalsContact O-CG 3.28Å; D139-K143 WeakPolarHBondContact O-CG 3.44Å; D139-K143 PolarHBondContact O-N 3.46Å; D139-K143 IonicContact OD1-NZ 3.44Å; D139-K143 WeakPolarHBondContact OD2-CE 3.36Å; D139-K143 IonicContact OD2-NZ 3.38Å; D139-K143 PolarHBondContact OD2-NZ 3.09Å |
| 140 | S | 93.3 | Very high | 93.5 | Very high | 72 Ų | 72 | 74.4 Ų | 74.4 | 50% | 0.503 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -72.3 | -39.5 | 178.5 | -53.8 | 0 | 0 | 0 | 0 | 111.9 | N136 I137 L138 K143 D144 | N136-S140 PolarHBondContact O-N 3.21Å; N136-S140 VanDerWaalsContact O-N 3.09Å; N136-S140 PolarHBondContact O-OG 3.35Å; I137-S140 PolarHBondContact O-N 3.41Å; L138-S140 VanDerWaalsContact C-N 3.31Å; L138-S140 PolarHBondContact O-N 3.29Å; S140-K143 PolarHBondContact O-N 2.73Å; S140-D144 PolarHBondContact O-N 3.29Å |
| 141 | F | 94.5 | Very high | 93.8 | Very high | 117 Ų | 117 | 76.1 Ų | 76.1 | 51% | 0.513 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -59.3 | -48.7 | 175.6 | 172.2 | -103.6 | 0 | 0 | 0 | 111.7 | I137 L138 K143 D144 M145 | I137-F141 WeakPolarHBondContact O-CB 3.4Å; I137-F141 PolarHBondContact O-N 3.43Å; L138-F141 PolarHBondContact O-N 2.98Å; F141-K143 VanDerWaalsContact C-N 3.28Å; F141-K143 PolarHBondContact O-N 2.8Å; F141-D144 PolarHBondContact O-N 3.28Å; F141-M145 HydrophobicContact CD2-CG 4.4Å; F141-M145 HydrophobicContact CE1-CG 4.06Å; F141-M145 HydrophobicContact CE2-CE 4.28Å; F141-M145 HydrophobicContact CE2-CG 3.93Å; F141-M145 HydrophobicContact CE2-SD 4.21Å; F141-M145 HydrophobicContact CZ-CG 3.74Å; F141-M145 HydrophobicContact CZ-SD 4.25Å; F141-M145 WeakPolarHBondContact O-CG 3.3Å; F141-M145 PolarHBondContact O-N 3.49Å |
| 142 | V | 93.6 | Very high | 94 | Very high | 32 Ų | 32 | 76.4 Ų | 76.4 | 19% | 0.194 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -61.2 | -38.9 | 178.6 | 169.8 | 0 | 0 | 0 | 0 | 111.1 | F113 F117 L138 M145 F146 | F113-V142 HydrophobicContact CD2-CB 4.33Å; F113-V142 HydrophobicContact CD2-CG1 3.74Å; F113-V142 HydrophobicContact CE2-CG1 3.87Å; F113-V142 HydrophobicContact CG-CG1 4.11Å; F113-V142 HydrophobicContact CZ-CG1 4.34Å; F117-V142 HydrophobicContact CE1-CG2 3.97Å; F117-V142 HydrophobicContact CZ-CG2 4.06Å; L138-V142 WeakPolarHBondContact O-CG2 3.45Å; L138-V142 PolarHBondContact O-N 2.91Å; V142-M145 PolarHBondContact O-N 3.03Å; V142-F146 HydrophobicContact CG1-CD2 3.48Å; V142-F146 VanDerWaalsContact CG1-CD2 3.48Å; V142-F146 HydrophobicContact CG1-CE2 3.22Å; V142-F146 HydrophobicContact CG1-CZ 4.32Å; V142-F146 WeakPolarHBondContact O-CD2 3.46Å; V142-F146 PolarHBondContact O-N 3.11Å |
| 143 | K | 93.3 | Very high | 94.3 | Very high | 56 Ų | 56 | 69.6 Ų | 69.6 | 24% | 0.243 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64 | -45.9 | 175.5 | -73.5 | 167.8 | 179.8 | 172.7 | 0 | 112.7 | D111 F113 D139 S140 F141 M145 F146 E147 | D111-K143 WeakPolarHBondContact O-CE 3.38Å; D111-K143 PolarHBondContact O-NZ 3.03Å; F113-K143 HydrophobicContact CD2-CG 4.44Å; F113-K143 HydrophobicContact CE2-CG 4.06Å; D139-K143 WeakPolarHBondContact O-CD 3.28Å; D139-K143 VanDerWaalsContact O-CG 3.28Å; D139-K143 WeakPolarHBondContact O-CG 3.44Å; D139-K143 PolarHBondContact O-N 3.46Å; D139-K143 IonicContact OD1-NZ 3.44Å; D139-K143 WeakPolarHBondContact OD2-CE 3.36Å; D139-K143 IonicContact OD2-NZ 3.38Å; D139-K143 PolarHBondContact OD2-NZ 3.09Å; S140-K143 PolarHBondContact O-N 2.73Å; F141-K143 VanDerWaalsContact C-N 3.28Å; F141-K143 PolarHBondContact O-N 2.8Å; K143-M145 VanDerWaalsContact C-N 3.32Å; K143-M145 PolarHBondContact O-N 2.95Å; K143-F146 PolarHBondContact O-N 3.26Å; K143-E147 WeakPolarHBondContact O-CG 3.36Å; K143-E147 PolarHBondContact O-N 3.44Å |
| 144 | D | 93.8 | Very high | 94.5 | Very high | 60 Ų | 60 | 65 Ų | 65 | 32% | 0.321 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -59.6 | -43.8 | 175.9 | -178.8 | 31.1 | 0 | 0 | 0 | 111 | S140 F141 F146 E147 R148 | S140-D144 PolarHBondContact O-N 3.29Å; F141-D144 PolarHBondContact O-N 3.28Å; D144-F146 PolarHBondContact O-N 2.73Å; D144-E147 PolarHBondContact O-N 3.23Å; D144-R148 VanDerWaalsContact O-CG 3.31Å; D144-R148 WeakPolarHBondContact O-CG 3.33Å; D144-R148 PolarHBondContact O-N 3Å; D144-R148 IonicContact OD1-CZ 3.02Å; D144-R148 IonicContact OD1-NE 3.51Å; D144-R148 PolarHBondContact OD1-NE 2.88Å; D144-R148 IonicContact OD1-NH2 2.76Å; D144-R148 PolarHBondContact OD1-NH2 3.37Å; D144-R148 IonicContact OD2-CZ 3.67Å; D144-R148 IonicContact OD2-NE 2.94Å; D144-R148 PolarHBondContact OD2-NE 3.12Å; D144-R148 IonicContact OD2-NH2 3.48Å; D144-R148 PolarHBondContact OD2-NH2 3.11Å |
| 145 | M | 94.3 | Very high | 94.6 | Very high | 43 Ų | 43 | 65 Ų | 65 | 21% | 0.212 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.4 | -42.9 | 176.8 | -67.4 | -57.7 | 99.3 | 0 | 0 | 112.5 | F141 V142 K143 R148 I149 | F141-M145 HydrophobicContact CD2-CG 4.4Å; F141-M145 HydrophobicContact CE1-CG 4.06Å; F141-M145 HydrophobicContact CE2-CE 4.28Å; F141-M145 HydrophobicContact CE2-CG 3.93Å; F141-M145 HydrophobicContact CE2-SD 4.21Å; F141-M145 HydrophobicContact CZ-CG 3.74Å; F141-M145 HydrophobicContact CZ-SD 4.25Å; F141-M145 WeakPolarHBondContact O-CG 3.3Å; F141-M145 PolarHBondContact O-N 3.49Å; V142-M145 PolarHBondContact O-N 3.03Å; K143-M145 VanDerWaalsContact C-N 3.32Å; K143-M145 PolarHBondContact O-N 2.95Å; M145-R148 PolarHBondContact O-N 2.88Å; M145-I149 WeakPolarHBondContact O-CD1 3.37Å; M145-I149 VanDerWaalsContact O-CG1 3.26Å; M145-I149 WeakPolarHBondContact O-CG1 3.45Å; M145-I149 PolarHBondContact O-N 3.14Å |
| 146 | F | 94.4 | Very high | 94.8 | Very high | 113 Ų | 113 | 66.2 Ų | 66.2 | 50% | 0.496 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.2 | -40.1 | 176.5 | -81 | -56 | 0 | 0 | 0 | 112.8 | F113 V142 K143 D144 I149 A150 | F113-F146 HydrophobicContact CE1-CE2 4.08Å; F113-F146 HydrophobicContact CE2-CD2 4.21Å; F113-F146 HydrophobicContact CE2-CE2 4.19Å; F113-F146 AromaticContact CZ-CD2 3.99Å; F113-F146 HydrophobicContact CZ-CD2 3.99Å; F113-F146 AromaticContact CZ-CE2 3.7Å; F113-F146 HydrophobicContact CZ-CE2 3.7Å; V142-F146 HydrophobicContact CG1-CD2 3.48Å; V142-F146 VanDerWaalsContact CG1-CD2 3.48Å; V142-F146 HydrophobicContact CG1-CE2 3.22Å; V142-F146 HydrophobicContact CG1-CZ 4.32Å; V142-F146 WeakPolarHBondContact O-CD2 3.46Å; V142-F146 PolarHBondContact O-N 3.11Å; K143-F146 PolarHBondContact O-N 3.26Å; D144-F146 PolarHBondContact O-N 2.73Å; F146-I149 PolarHBondContact O-N 3.48Å; F146-A150 VanDerWaalsContact O-CB 3.27Å; F146-A150 WeakPolarHBondContact O-CB 3.24Å; F146-A150 PolarHBondContact O-N 2.95Å |
| 147 | E | 94.1 | Very high | 95 | Very high | 134 Ų | 134 | 61.9 Ų | 61.9 | 63% | 0.626 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -63.7 | -41.2 | 176.7 | -74.7 | -179.4 | -176.8 | 0 | 0 | 111.6 | K143 D144 T151 | K143-E147 WeakPolarHBondContact O-CG 3.36Å; K143-E147 PolarHBondContact O-N 3.44Å; D144-E147 PolarHBondContact O-N 3.23Å; E147-T151 WeakPolarHBondContact O-CB 3.46Å; E147-T151 PolarHBondContact O-N 3.09Å; E147-T151 PolarHBondContact O-OG1 3.33Å |
| 148 | R | 95.4 | Very high | 95.1 | Very high | 125 Ų | 125 | 65.2 Ų | 65.2 | 47% | 0.472 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.6 | -47.8 | 174.1 | -68.2 | 176.6 | -167.1 | -146.7 | 8.3 | 112 | D144 M145 A150 T151 E152 L177 | D144-R148 VanDerWaalsContact O-CG 3.31Å; D144-R148 WeakPolarHBondContact O-CG 3.33Å; D144-R148 PolarHBondContact O-N 3Å; D144-R148 IonicContact OD1-CZ 3.02Å; D144-R148 IonicContact OD1-NE 3.51Å; D144-R148 PolarHBondContact OD1-NE 2.88Å; D144-R148 IonicContact OD1-NH2 2.76Å; D144-R148 PolarHBondContact OD1-NH2 3.37Å; D144-R148 IonicContact OD2-CZ 3.67Å; D144-R148 IonicContact OD2-NE 2.94Å; D144-R148 PolarHBondContact OD2-NE 3.12Å; D144-R148 IonicContact OD2-NH2 3.48Å; D144-R148 PolarHBondContact OD2-NH2 3.11Å; M145-R148 PolarHBondContact O-N 2.88Å; R148-A150 PolarHBondContact O-N 2.81Å; R148-T151 PolarHBondContact O-N 3.32Å; R148-E152 PolarHBondContact O-N 3.07Å; R148-L177 VanDerWaalsContact C-CD1 3.48Å; R148-L177 HydrophobicContact CB-CD1 3.91Å; R148-L177 HydrophobicContact CB-CD2 4.29Å |
| 149 | I | 95.3 | Very high | 95.1 | Very high | 29 Ų | 29 | 71.2 Ų | 71.2 | 15% | 0.149 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.1 | -44.9 | 178.7 | -67.6 | 162 | 0 | 0 | 0 | 110.9 | M145 F146 T151 E152 A153 I170 A173 V174 L177 | M145-I149 WeakPolarHBondContact O-CD1 3.37Å; M145-I149 VanDerWaalsContact O-CG1 3.26Å; M145-I149 WeakPolarHBondContact O-CG1 3.45Å; M145-I149 PolarHBondContact O-N 3.14Å; F146-I149 PolarHBondContact O-N 3.48Å; I149-T151 VanDerWaalsContact C-N 3.29Å; I149-T151 PolarHBondContact O-N 3.47Å; I149-E152 PolarHBondContact O-N 3.42Å; I149-A153 VanDerWaalsContact O-CB 3.22Å; I149-A153 WeakPolarHBondContact O-CB 3.47Å; I149-A153 PolarHBondContact O-N 3.37Å; I149-I170 HydrophobicContact CG2-CG2 4.29Å; I149-A173 HydrophobicContact CG2-CB 4.29Å; I149-V174 HydrophobicContact CD1-CG2 3.96Å; I149-V174 HydrophobicContact CG1-CG2 4.18Å; I149-V174 HydrophobicContact CG2-CG2 4.01Å; I149-L177 VanDerWaalsContact CA-CD1 3.47Å; I149-L177 HydrophobicContact CB-CD1 4.16Å; I149-L177 HydrophobicContact CG1-CD1 3.61Å |
| 150 | A | 95.9 | Very high | 95.1 | Very high | 56 Ų | 56 | 73.8 Ų | 73.8 | 46% | 0.463 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.2 | -38.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | F146 R148 S154 | F146-A150 VanDerWaalsContact O-CB 3.27Å; F146-A150 WeakPolarHBondContact O-CB 3.24Å; F146-A150 PolarHBondContact O-N 2.95Å; R148-A150 PolarHBondContact O-N 2.81Å; A150-S154 VanDerWaalsContact O-CB 3.26Å; A150-S154 WeakPolarHBondContact O-CB 3.3Å; A150-S154 PolarHBondContact O-N 3.29Å |
| 151 | T | 96.4 | Very high | 95.2 | Very high | 77 Ų | 77 | 81.6 Ų | 81.6 | 47% | 0.472 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -66.1 | -48.5 | 178.4 | -59.3 | 0 | 0 | 0 | 0 | 111 | E147 R148 I149 S154 N155 | E147-T151 WeakPolarHBondContact O-CB 3.46Å; E147-T151 PolarHBondContact O-N 3.09Å; E147-T151 PolarHBondContact O-OG1 3.33Å; R148-T151 PolarHBondContact O-N 3.32Å; I149-T151 VanDerWaalsContact C-N 3.29Å; I149-T151 PolarHBondContact O-N 3.47Å; T151-S154 WeakPolarHBondContact O-CB 3.44Å; T151-S154 PolarHBondContact O-N 3.38Å; T151-N155 VanDerWaalsContact O-CG 3.26Å; T151-N155 PolarHBondContact O-N 2.83Å; T151-N155 PolarHBondContact O-ND2 3.01Å |
| 152 | E | 96.1 | Very high | 95.1 | Very high | 64 Ų | 64 | 81.5 Ų | 81.5 | 30% | 0.299 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -67.7 | -40 | 178.3 | -70.7 | -52.2 | 143 | 0 | 0 | 112.9 | R148 I149 S154 N155 L156 A173 L177 | R148-E152 PolarHBondContact O-N 3.07Å; I149-E152 PolarHBondContact O-N 3.42Å; E152-S154 VanDerWaalsContact C-N 3.29Å; E152-S154 PolarHBondContact O-N 3.1Å; E152-N155 WeakPolarHBondContact O-CB 3.36Å; E152-N155 PolarHBondContact O-N 3.2Å; E152-N155 VanDerWaalsContact O-N 3.15Å; E152-L156 WeakPolarHBondContact O-CG 3.35Å; E152-L156 PolarHBondContact O-N 3.24Å; E152-A173 HydrophobicContact CB-CB 3.79Å; E152-L177 HydrophobicContact CB-CD1 4.31Å; E152-L177 HydrophobicContact CG-CD1 4.06Å; E152-L177 HydrophobicContact CG-CD2 4.03Å; E152-L177 HydrophobicContact CG-CG 4.13Å |
| 153 | A | 96.6 | Very high | 95.1 | Very high | 2 Ų | 2 | 85.8 Ų | 85.8 | 2% | 0.017 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -62.8 | -38 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | I149 L156 A157 I165 I170 A173 | I149-A153 VanDerWaalsContact O-CB 3.22Å; I149-A153 WeakPolarHBondContact O-CB 3.47Å; I149-A153 PolarHBondContact O-N 3.37Å; A153-L156 PolarHBondContact O-N 2.88Å; A153-A157 PolarHBondContact O-N 3.02Å; A153-I165 HydrophobicContact CB-CG2 3.88Å; A153-I170 HydrophobicContact CB-CG1 4.23Å; A153-A173 HydrophobicContact CB-CB 3.95Å |
| 154 | S | 96.7 | Very high | 95.2 | Very high | 48 Ų | 48 | 89.3 Ų | 89.3 | 34% | 0.336 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -64.3 | -43 | 172.7 | -176.3 | 0 | 0 | 0 | 0 | 111.7 | A150 T151 E152 L156 A157 R158 | A150-S154 VanDerWaalsContact O-CB 3.26Å; A150-S154 WeakPolarHBondContact O-CB 3.3Å; A150-S154 PolarHBondContact O-N 3.29Å; T151-S154 WeakPolarHBondContact O-CB 3.44Å; T151-S154 PolarHBondContact O-N 3.38Å; E152-S154 VanDerWaalsContact C-N 3.29Å; E152-S154 PolarHBondContact O-N 3.1Å; S154-L156 PolarHBondContact O-N 3.04Å; S154-A157 PolarHBondContact O-N 3.27Å; S154-R158 VanDerWaalsContact O-CG 3.27Å; S154-R158 WeakPolarHBondContact O-CG 3.19Å; S154-R158 PolarHBondContact O-N 2.81Å |
| 155 | N | 96.3 | Very high | 95.3 | Very high | 43 Ų | 43 | 90.1 Ų | 90.1 | 23% | 0.23 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -60.5 | -44.1 | 175.6 | -68.4 | -24 | 0 | 0 | 0 | 111.5 | T151 E152 R158 Y159 | T151-N155 VanDerWaalsContact O-CG 3.26Å; T151-N155 PolarHBondContact O-N 2.83Å; T151-N155 PolarHBondContact O-ND2 3.01Å; E152-N155 WeakPolarHBondContact O-CB 3.36Å; E152-N155 PolarHBondContact O-N 3.2Å; E152-N155 VanDerWaalsContact O-N 3.15Å; N155-R158 WeakPolarHBondContact O-CB 3.27Å; N155-R158 PolarHBondContact O-N 2.84Å; N155-Y159 HydrophobicContact CB-CD2 4.49Å; N155-Y159 HydrophobicContact CB-CE2 4.07Å; N155-Y159 WeakPolarHBondContact O-CD2 3.28Å; N155-Y159 PolarHBondContact O-N 3.35Å |
| 156 | L | 95.9 | Very high | 95.3 | Very high | 37 Ų | 37 | 92.1 Ų | 92.1 | 19% | 0.194 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -62.1 | -42.7 | 176.6 | -72.2 | 169.2 | 0 | 0 | 0 | 113.3 | E152 A153 S154 R158 Y159 T160 D169 A173 L176 | E152-L156 WeakPolarHBondContact O-CG 3.35Å; E152-L156 PolarHBondContact O-N 3.24Å; A153-L156 PolarHBondContact O-N 2.88Å; S154-L156 PolarHBondContact O-N 3.04Å; L156-R158 VanDerWaalsContact C-N 3.3Å; L156-R158 PolarHBondContact O-N 3.29Å; L156-Y159 PolarHBondContact O-N 3.43Å; L156-T160 PolarHBondContact O-N 3.49Å; L156-T160 VanDerWaalsContact O-N 3.09Å; L156-T160 PolarHBondContact O-OG1 2.98Å; L156-D169 HydrophobicContact CB-CB 4.22Å; L156-D169 WeakPolarHBondContact CD1-O 3.28Å; L156-A173 HydrophobicContact CD1-CB 4.17Å; L156-L176 HydrophobicContact CD1-CD1 4.36Å |
| 157 | A | 96.6 | Very high | 95.3 | Very high | 4 Ų | 4 | 90 Ų | 90 | 3% | 0.033 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -60.2 | -43.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | A153 S154 T160 R161 R162 I165 | A153-A157 PolarHBondContact O-N 3.02Å; S154-A157 PolarHBondContact O-N 3.27Å; A157-T160 CarbonylContact O-C 3.49Å; A157-T160 PolarHBondContact O-N 2.93Å; A157-R161 PolarHBondContact O-N 3.5Å; A157-R161 VanDerWaalsContact O-N 3.11Å; A157-R162 CarbonylContact C-O 3.59Å; A157-R162 PolarHBondContact O-N 2.93Å; A157-I165 HydrophobicContact CB-CG1 4.21Å |
| 158 | R | 95.9 | Very high | 95.2 | Very high | 181 Ų | 181 | 91.7 Ų | 91.7 | 68% | 0.683 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -64.8 | -40.6 | 176.7 | -69.6 | 175 | 71.7 | -162 | 2.4 | 112.9 | S154 N155 L156 T160 R161 | S154-R158 VanDerWaalsContact O-CG 3.27Å; S154-R158 WeakPolarHBondContact O-CG 3.19Å; S154-R158 PolarHBondContact O-N 2.81Å; N155-R158 WeakPolarHBondContact O-CB 3.27Å; N155-R158 PolarHBondContact O-N 2.84Å; L156-R158 VanDerWaalsContact C-N 3.3Å; L156-R158 PolarHBondContact O-N 3.29Å; R158-T160 VanDerWaalsContact C-N 3.26Å; R158-T160 PolarHBondContact O-N 3.26Å; R158-R161 PolarHBondContact O-N 3.24Å |
| 159 | Y | 95.3 | Very high | 95.1 | Very high | 186 Ų | 186 | 86.1 Ų | 86.1 | 73% | 0.729 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -60.2 | -39.4 | 175 | -73.8 | -56.9 | 0 | 0 | 0 | 111.8 | N155 L156 R161 | N155-Y159 HydrophobicContact CB-CD2 4.49Å; N155-Y159 HydrophobicContact CB-CE2 4.07Å; N155-Y159 WeakPolarHBondContact O-CD2 3.28Å; N155-Y159 PolarHBondContact O-N 3.35Å; L156-Y159 PolarHBondContact O-N 3.43Å; Y159-R161 PolarHBondContact O-N 3.46Å |
| 160 | T | 94.1 | Very high | 95.1 | Very high | 70 Ų | 70 | 88.6 Ų | 88.6 | 43% | 0.429 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | 4.7 | 178.1 | -42 | 0 | 0 | 0 | 0 | 112.7 | L156 A157 R158 R162 | L156-T160 PolarHBondContact O-N 3.49Å; L156-T160 VanDerWaalsContact O-N 3.09Å; L156-T160 PolarHBondContact O-OG1 2.98Å; A157-T160 CarbonylContact O-C 3.49Å; A157-T160 PolarHBondContact O-N 2.93Å; R158-T160 VanDerWaalsContact C-N 3.26Å; R158-T160 PolarHBondContact O-N 3.26Å; T160-R162 HydrophobicContact CG2-CG 4.33Å; T160-R162 VanDerWaalsContact CG2-CZ 3.4Å; T160-R162 PolarHBondContact O-N 3.42Å |
| 161 | R | 94.9 | Very high | 95 | Very high | 236 Ų | 236 | 90.1 Ų | 90.1 | 89% | 0.891 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | 31.5 | -176.3 | -53.1 | -174 | -173.6 | -173.2 | 2.2 | 114.2 | A157 R158 Y159 | A157-R161 PolarHBondContact O-N 3.5Å; A157-R161 VanDerWaalsContact O-N 3.11Å; R158-R161 PolarHBondContact O-N 3.24Å; Y159-R161 PolarHBondContact O-N 3.46Å |
| 162 | R | 93.2 | Very high | 94.8 | Very high | 116 Ų | 116 | 88.5 Ų | 88.5 | 44% | 0.438 | 43% | 0.426 | S | S | . | . | trans | -98.1 | 140.6 | 173.9 | -62.5 | -176.4 | -173.5 | 131.9 | 3 | 109.7 | A157 T160 | A157-R162 CarbonylContact C-O 3.59Å; A157-R162 PolarHBondContact O-N 2.93Å; T160-R162 HydrophobicContact CG2-CG 4.33Å; T160-R162 VanDerWaalsContact CG2-CZ 3.4Å; T160-R162 PolarHBondContact O-N 3.42Å | ||
| 163 | S | 93 | Very high | 94.7 | Very high | 122 Ų | 122 | 85.5 Ų | 85.5 | 85% | 0.853 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -87.5 | -12.8 | 173.6 | 53.1 | 0 | 0 | 0 | 0 | 113.1 | ||
| 164 | I | 95.4 | Very high | 94.6 | Very high | 130 Ų | 130 | 87.5 Ų | 87.5 | 67% | 0.667 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -111.4 | 129 | -178.6 | -55.3 | 173.3 | 0 | 0 | 0 | 108.4 | N166 | I164-N166 PolarHBondContact O-N 3.3Š|
| 165 | I | 95.6 | Very high | 94.3 | Very high | 77 Ų | 77 | 89.3 Ų | 89.3 | 40% | 0.395 | 42% | 0.424 | S | S | . | . | trans | -75.9 | 121.2 | 172.7 | -58.5 | 175.8 | 0 | 0 | 0 | 108.2 | A153 A157 D169 I170 | A153-I165 HydrophobicContact CB-CG2 3.88Å; A157-I165 HydrophobicContact CB-CG1 4.21Å; I165-D169 HydrophobicContact CG2-CB 4.14Å; I165-I170 HydrophobicContact CG2-CD1 4.31Å; I165-I170 HydrophobicContact CG2-CG1 3.85Å | ||
| 166 | N | 93.9 | Very high | 94.1 | Very high | 84 Ų | 84 | 92.7 Ų | 92.7 | 45% | 0.449 | 44% | 0.441 | S | S | . | . | trans | -97.7 | 164.8 | 178.7 | -160.2 | -2.7 | 0 | 0 | 0 | 111.5 | I164 R168 D169 I170 | I164-N166 PolarHBondContact O-N 3.3Å; N166-R168 PolarHBondContact O-N 3.34Å; N166-D169 WeakPolarHBondContact CB-OD2 3.41Å; N166-D169 PolarHBondContact N-OD2 2.88Å; N166-D169 WeakPolarHBondContact O-CB 3.46Å; N166-D169 PolarHBondContact O-N 2.79Å; N166-I170 PolarHBondContact O-N 3.28Å | ||
| 167 | S | 93.9 | Very high | 93.8 | Very high | 70 Ų | 70 | 93.6 Ų | 93.6 | 49% | 0.49 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -56 | -36.8 | 176.1 | 58.6 | 0 | 0 | 0 | 0 | 112.6 | D169 I170 Q171 | S167-D169 VanDerWaalsContact C-N 3.3Å; S167-D169 PolarHBondContact O-N 2.87Å; S167-I170 PolarHBondContact O-N 3.41Å; S167-Q171 WeakPolarHBondContact O-CB 3.49Å; S167-Q171 VanDerWaalsContact O-CG 3.28Å; S167-Q171 WeakPolarHBondContact O-CG 3.2Å; S167-Q171 PolarHBondContact O-N 3.19Å |
| 168 | R | 91.7 | Very high | 93.3 | Very high | 169 Ų | 169 | 97.3 Ų | 97.3 | 64% | 0.638 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -61 | -37.4 | 174.3 | -174.9 | -179.6 | -67.1 | -174.5 | 0.5 | 112.4 | N166 S172 | N166-R168 PolarHBondContact O-N 3.34Å; R168-S172 VanDerWaalsContact O-CB 3.28Å; R168-S172 WeakPolarHBondContact O-CB 3.49Å; R168-S172 PolarHBondContact O-N 3.1Å; R168-S172 PolarHBondContact O-OG 3.02Å |
| 169 | D | 94.3 | Very high | 91.9 | Very high | 7 Ų | 7 | 92.7 Ų | 92.7 | 4% | 0.037 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -70.5 | -41 | -179.9 | -53.6 | -39.7 | 0 | 0 | 0 | 110.1 | L156 I165 N166 S167 S172 A173 | L156-D169 HydrophobicContact CB-CB 4.22Å; L156-D169 WeakPolarHBondContact CD1-O 3.28Å; I165-D169 HydrophobicContact CG2-CB 4.14Å; N166-D169 WeakPolarHBondContact CB-OD2 3.41Å; N166-D169 PolarHBondContact N-OD2 2.88Å; N166-D169 WeakPolarHBondContact O-CB 3.46Å; N166-D169 PolarHBondContact O-N 2.79Å; S167-D169 VanDerWaalsContact C-N 3.3Å; S167-D169 PolarHBondContact O-N 2.87Å; D169-S172 PolarHBondContact O-N 3.44Å; D169-A173 VanDerWaalsContact O-CB 3.27Å; D169-A173 WeakPolarHBondContact O-CB 3.09Å; D169-A173 PolarHBondContact O-N 3.47Å |
| 170 | I | 95 | Very high | 90 | Very high | 81 Ų | 81 | 91 Ų | 91 | 42% | 0.415 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.4 | -47 | 174.4 | -61.1 | 170.7 | 0 | 0 | 0 | 110.9 | I149 A153 I165 N166 S167 S172 A173 V174 | I149-I170 HydrophobicContact CG2-CG2 4.29Å; A153-I170 HydrophobicContact CB-CG1 4.23Å; I165-I170 HydrophobicContact CG2-CD1 4.31Å; I165-I170 HydrophobicContact CG2-CG1 3.85Å; N166-I170 PolarHBondContact O-N 3.28Å; S167-I170 PolarHBondContact O-N 3.41Å; I170-S172 VanDerWaalsContact C-N 3.33Å; I170-S172 PolarHBondContact O-N 3.11Å; I170-A173 PolarHBondContact O-N 3.41Å; I170-V174 HydrophobicContact CG2-CG2 4.49Å; I170-V174 VanDerWaalsContact O-CG2 3.3Å; I170-V174 WeakPolarHBondContact O-CG2 3.47Å; I170-V174 PolarHBondContact O-N 3.19Å |
| 171 | Q | 93.8 | Very high | 88 | Confident | 88 Ų | 88 | 89.9 Ų | 89.9 | 41% | 0.411 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -57.6 | -48.8 | 177.1 | -75.6 | 172.3 | 2.3 | 0 | 0 | 110.8 | S167 A173 V174 Y175 | S167-Q171 WeakPolarHBondContact O-CB 3.49Å; S167-Q171 VanDerWaalsContact O-CG 3.28Å; S167-Q171 WeakPolarHBondContact O-CG 3.2Å; S167-Q171 PolarHBondContact O-N 3.19Å; Q171-A173 PolarHBondContact O-N 2.84Å; Q171-V174 PolarHBondContact O-N 2.86Å; Q171-Y175 HydrophobicContact CB-CE2 4.24Å; Q171-Y175 WeakPolarHBondContact O-CD2 3.45Å; Q171-Y175 PolarHBondContact O-N 2.96Å |
| 172 | S | 92.6 | Very high | 85.7 | Confident | 44 Ų | 44 | 82 Ų | 82 | 31% | 0.308 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -63.9 | -41.8 | -179.9 | -56.1 | 0 | 0 | 0 | 0 | 111.6 | R168 D169 I170 V174 Y175 L176 | R168-S172 VanDerWaalsContact O-CB 3.28Å; R168-S172 WeakPolarHBondContact O-CB 3.49Å; R168-S172 PolarHBondContact O-N 3.1Å; R168-S172 PolarHBondContact O-OG 3.02Å; D169-S172 PolarHBondContact O-N 3.44Å; I170-S172 VanDerWaalsContact C-N 3.33Å; I170-S172 PolarHBondContact O-N 3.11Å; S172-V174 VanDerWaalsContact C-N 3.34Å; S172-V174 PolarHBondContact O-N 3.33Å; S172-Y175 PolarHBondContact O-N 2.99Å; S172-L176 WeakPolarHBondContact O-CG 3.38Å; S172-L176 PolarHBondContact O-N 3.29Å |
| 173 | A | 94.3 | Very high | 83.5 | Confident | 0 Ų | 0 | 83 Ų | 83 | 0% | 0 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -59.6 | -43.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | I149 E152 A153 L156 D169 I170 Q171 L176 L177 | I149-A173 HydrophobicContact CG2-CB 4.29Å; E152-A173 HydrophobicContact CB-CB 3.79Å; A153-A173 HydrophobicContact CB-CB 3.95Å; L156-A173 HydrophobicContact CD1-CB 4.17Å; D169-A173 VanDerWaalsContact O-CB 3.27Å; D169-A173 WeakPolarHBondContact O-CB 3.09Å; D169-A173 PolarHBondContact O-N 3.47Å; I170-A173 PolarHBondContact O-N 3.41Å; Q171-A173 PolarHBondContact O-N 2.84Å; A173-L176 PolarHBondContact O-N 3.19Å; A173-L177 WeakPolarHBondContact O-CB 3.46Å; A173-L177 WeakPolarHBondContact O-CG 3.39Å; A173-L177 PolarHBondContact O-N 3.2Å |
| 174 | V | 94.1 | Very high | 81.3 | Confident | 45 Ų | 45 | 85 Ų | 85 | 27% | 0.273 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61.6 | -43.6 | 175.5 | 170.7 | 0 | 0 | 0 | 0 | 111 | I149 I170 Q171 S172 L176 L177 L178 | I149-V174 HydrophobicContact CD1-CG2 3.96Å; I149-V174 HydrophobicContact CG1-CG2 4.18Å; I149-V174 HydrophobicContact CG2-CG2 4.01Å; I170-V174 HydrophobicContact CG2-CG2 4.49Å; I170-V174 VanDerWaalsContact O-CG2 3.3Å; I170-V174 WeakPolarHBondContact O-CG2 3.47Å; I170-V174 PolarHBondContact O-N 3.19Å; Q171-V174 PolarHBondContact O-N 2.86Å; S172-V174 VanDerWaalsContact C-N 3.34Å; S172-V174 PolarHBondContact O-N 3.33Å; V174-L176 VanDerWaalsContact C-N 3.33Å; V174-L176 PolarHBondContact O-N 3.42Å; V174-L177 PolarHBondContact O-N 3.15Å; V174-L178 HydrophobicContact CG1-CD1 4.3Å; V174-L178 WeakPolarHBondContact O-CB 3.4Å; V174-L178 PolarHBondContact O-N 2.97Å |
| 175 | Y | 90.8 | Very high | 78.8 | Confident | 85 Ų | 85 | 83.1 Ų | 83.1 | 33% | 0.333 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.4 | -36.6 | 176.7 | -73.1 | -61 | 0 | 0 | 0 | 113.5 | Q171 S172 Q185 | Q171-Y175 HydrophobicContact CB-CE2 4.24Å; Q171-Y175 WeakPolarHBondContact O-CD2 3.45Å; Q171-Y175 PolarHBondContact O-N 2.96Å; S172-Y175 PolarHBondContact O-N 2.99Å; Y175-Q185 VanDerWaalsContact CE1-CD 3.45Å; Y175-Q185 VanDerWaalsContact OH-CD 3.29Å; Y175-Q185 PolarHBondContact OH-NE2 3.24Å; Y175-Q185 PolarHBondContact OH-OE1 2.97Å |
| 176 | L | 90.8 | Very high | 76.4 | Confident | 115 Ų | 115 | 89.2 Ų | 89.2 | 60% | 0.602 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -70 | -37.5 | 177.8 | -69.9 | 171.6 | 0 | 0 | 0 | 112.2 | L156 S172 A173 V174 | L156-L176 HydrophobicContact CD1-CD1 4.36Å; S172-L176 WeakPolarHBondContact O-CG 3.38Å; S172-L176 PolarHBondContact O-N 3.29Å; A173-L176 PolarHBondContact O-N 3.19Å; V174-L176 VanDerWaalsContact C-N 3.33Å; V174-L176 PolarHBondContact O-N 3.42Å |
| 177 | L | 90.6 | Very high | 74 | Confident | 56 Ų | 56 | 90.5 Ų | 90.5 | 29% | 0.293 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -86 | -28.7 | -175.6 | -68.9 | 169.6 | 0 | 0 | 0 | 113.7 | R148 I149 E152 A173 V174 P179 | R148-L177 VanDerWaalsContact C-CD1 3.48Å; R148-L177 HydrophobicContact CB-CD1 3.91Å; R148-L177 HydrophobicContact CB-CD2 4.29Å; I149-L177 VanDerWaalsContact CA-CD1 3.47Å; I149-L177 HydrophobicContact CB-CD1 4.16Å; I149-L177 HydrophobicContact CG1-CD1 3.61Å; E152-L177 HydrophobicContact CB-CD1 4.31Å; E152-L177 HydrophobicContact CG-CD1 4.06Å; E152-L177 HydrophobicContact CG-CD2 4.03Å; E152-L177 HydrophobicContact CG-CG 4.13Å; A173-L177 WeakPolarHBondContact O-CB 3.46Å; A173-L177 WeakPolarHBondContact O-CG 3.39Å; A173-L177 PolarHBondContact O-N 3.2Å; V174-L177 PolarHBondContact O-N 3.15Å; L177-P179 VanDerWaalsContact C-CD 3.43Å; L177-P179 VanDerWaalsContact O-CD 3.26Å; L177-P179 WeakPolarHBondContact O-CD 3.46Å |
| 178 | L | 85.3 | Confident | 71.6 | Confident | 82 Ų | 82 | 91.7 Ų | 91.7 | 43% | 0.429 | 47% | 0.468 | S | S | . | . | trans | -118.6 | 74.5 | -178.5 | -63.8 | 174.5 | 0 | 0 | 0 | 110.5 | V174 E180 A181 | V174-L178 HydrophobicContact CG1-CD1 4.3Å; V174-L178 WeakPolarHBondContact O-CB 3.4Å; V174-L178 PolarHBondContact O-N 2.97Å; L178-E180 PolarHBondContact O-N 3.24Å; L178-A181 PolarHBondContact O-N 2.93Å | ||
| 179 | P | 67.3 | Low | 69.2 | Low | 83 Ų | 83 | 92.4 Ų | 92.4 | 54% | 0.539 | 48% | 0.476 | S | S | . | . | G | 310 helix | trans | -61.8 | -27.2 | -178.1 | 23.2 | -32.7 | 0 | 0 | 0 | 112.8 | L177 A181 S182 | L177-P179 VanDerWaalsContact C-CD 3.43Å; L177-P179 VanDerWaalsContact O-CD 3.26Å; L177-P179 WeakPolarHBondContact O-CD 3.46Å; P179-A181 PolarHBondContact O-N 2.99Å; P179-S182 WeakPolarHBondContact O-CB 3.45Å; P179-S182 PolarHBondContact O-N 3.41Å; P179-S182 PolarHBondContact O-OG 3.38Å |
| 180 | E | 55.5 | Low | 66.8 | Low | 150 Ų | 150 | 97.3 Ų | 97.3 | 70% | 0.701 | 50% | 0.501 | S | S | * | . | G | 310 helix | trans | -70.7 | -13.1 | -179.3 | -60.7 | -150.8 | 162.5 | 0 | 0 | 114.6 | L178 Q183 | L178-E180 PolarHBondContact O-N 3.24Å; E180-Q183 WeakPolarHBondContact O-CG 3.34Å |
| 181 | A | 52.5 | Low | 64.2 | Low | 47 Ų | 47 | 100.7 Ų | 100.7 | 39% | 0.388 | 52% | 0.52 | S | S | . | . | G | 310 helix | trans | -81.8 | -21.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L178 P179 Q183 F184 Q185 | L178-A181 PolarHBondContact O-N 2.93Å; P179-A181 PolarHBondContact O-N 2.99Å; A181-Q183 VanDerWaalsContact C-N 3.28Å; A181-Q183 PolarHBondContact O-N 2.98Å; A181-F184 CarbonylContact O-C 3.5Å; A181-F184 PolarHBondContact O-N 2.97Å; A181-F184 VanDerWaalsContact O-N 3.12Å; A181-Q185 PolarHBondContact O-N 3.28Å |
| 182 | S | 46.7 | Very low | 61.4 | Low | 71 Ų | 71 | 100.1 Ų | 100.1 | 50% | 0.497 | 53% | 0.525 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -20.9 | -178.9 | 71.7 | 0 | 0 | 0 | 0 | 113.5 | P179 Q185 | P179-S182 WeakPolarHBondContact O-CB 3.45Å; P179-S182 PolarHBondContact O-N 3.41Å; P179-S182 PolarHBondContact O-OG 3.38Å; S182-Q185 WeakPolarHBondContact O-CB 3.47Å; S182-Q185 PolarHBondContact O-N 3.42Å |
| 183 | Q | 46 | Very low | 59 | Low | 138 Ų | 138 | 109.5 Ų | 109.5 | 65% | 0.645 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | -16.4 | 171.1 | 50.7 | -174 | 10.5 | 0 | 0 | 113.5 | E180 A181 | E180-Q183 WeakPolarHBondContact O-CG 3.34Å; A181-Q183 VanDerWaalsContact C-N 3.28Å; A181-Q183 PolarHBondContact O-N 2.98Å |
| 184 | F | 47.6 | Very low | 56.5 | Low | 163 Ų | 163 | 114.3 Ų | 114.3 | 72% | 0.715 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -96.7 | 0.4 | 168.9 | -76.2 | -81.9 | 0 | 0 | 0 | 112.9 | A181 K186 V187 | A181-F184 CarbonylContact O-C 3.5Å; A181-F184 PolarHBondContact O-N 2.97Å; A181-F184 VanDerWaalsContact O-N 3.12Å; F184-K186 PolarHBondContact O-N 3.2Å; F184-V187 WeakPolarHBondContact O-CG2 3.28Å; F184-V187 PolarHBondContact O-N 3.5Å |
| 185 | Q | 43.5 | Very low | 54.2 | Low | 91 Ų | 91 | 120.7 Ų | 120.7 | 43% | 0.425 | 61% | 0.614 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.5 | 56.1 | 177.4 | -166.4 | 113.6 | -23.7 | 0 | 0 | 112.7 | Y175 A181 S182 | Y175-Q185 VanDerWaalsContact CE1-CD 3.45Å; Y175-Q185 VanDerWaalsContact OH-CD 3.29Å; Y175-Q185 PolarHBondContact OH-NE2 3.24Å; Y175-Q185 PolarHBondContact OH-OE1 2.97Å; A181-Q185 PolarHBondContact O-N 3.28Å; S182-Q185 WeakPolarHBondContact O-CB 3.47Å; S182-Q185 PolarHBondContact O-N 3.42Å |
| 186 | K | 45 | Very low | 51.9 | Low | 204 Ų | 204 | 122.4 Ų | 122.4 | 89% | 0.887 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.6 | 21.4 | 148.1 | -80.1 | -170.7 | -177.3 | 172.2 | 0 | 111.4 | F184 P188 | F184-K186 PolarHBondContact O-N 3.2Å; K186-P188 VanDerWaalsContact O-CD 3.27Å; K186-P188 WeakPolarHBondContact O-CD 3.5Å |
| 187 | V | 42.7 | Very low | 49.8 | Very low | 111 Ų | 111 | 123.3 Ų | 123.3 | 67% | 0.673 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -85.2 | 107.7 | 156.6 | -84.5 | 0 | 0 | 0 | 0 | 107.8 | F184 F189 | F184-V187 WeakPolarHBondContact O-CG2 3.28Å; F184-V187 PolarHBondContact O-N 3.5Å; V187-F189 PolarHBondContact O-N 2.76Å |
| 188 | P | 42.9 | Very low | 47.6 | Very low | 96 Ų | 96 | 125.2 Ų | 125.2 | 62% | 0.623 | 66% | 0.659 | S | S | * | * | trans | -60.8 | 128.5 | 178.3 | 26.3 | -33.4 | 0 | 0 | 0 | 108.4 | K186 I190 | K186-P188 VanDerWaalsContact O-CD 3.27Å; K186-P188 WeakPolarHBondContact O-CD 3.5Å; P188-I190 HydrophobicContact CB-CD1 4.5Å; P188-I190 HydrophobicContact CB-CG1 4.05Å; P188-I190 HydrophobicContact CG-CD1 3.93Å; P188-I190 HydrophobicContact CG-CG1 4.02Å; P188-I190 PolarHBondContact O-N 3.44Å | ||
| 189 | F | 42 | Very low | 45.7 | Very low | 183 Ų | 183 | 131 Ų | 131 | 80% | 0.803 | 68% | 0.676 | S | S | * | * | trans | -67.6 | 73.9 | 166.3 | -148.7 | -93.7 | 0 | 0 | 0 | 107.2 | V187 N191 | V187-F189 PolarHBondContact O-N 2.76Å; F189-N191 PolarHBondContact O-N 3.35Å; F189-N191 VanDerWaalsContact O-N 3.15Å | ||
| 190 | I | 43.6 | Very low | 44.5 | Very low | 111 Ų | 111 | 137.1 Ų | 137.1 | 57% | 0.569 | 69% | 0.689 | S | S | * | * | trans | -67.7 | 113.7 | 173.7 | -69.2 | 164.6 | 0 | 0 | 0 | 105.5 | P188 C192 | P188-I190 HydrophobicContact CB-CD1 4.5Å; P188-I190 HydrophobicContact CB-CG1 4.05Å; P188-I190 HydrophobicContact CG-CD1 3.93Å; P188-I190 HydrophobicContact CG-CG1 4.02Å; P188-I190 PolarHBondContact O-N 3.44Å; I190-C192 HydrophobicContact CG2-CB 4.27Å; I190-C192 PolarHBondContact O-N 3.19Å | ||
| 191 | N | 41.3 | Very low | 43.9 | Very low | 151 Ų | 151 | 134.2 Ų | 134.2 | 81% | 0.807 | 68% | 0.684 | S | S | * | * | trans | -64.4 | 83.9 | 168.3 | -148.2 | -13 | 0 | 0 | 0 | 107.3 | F189 R193 | F189-N191 PolarHBondContact O-N 3.35Å; F189-N191 VanDerWaalsContact O-N 3.15Å; N191-R193 PolarHBondContact O-N 3.03Å; N191-R193 VanDerWaalsContact O-N 3.14Å | ||
| 192 | C | 34.1 | Very low | 43.6 | Very low | 77 Ų | 77 | 141.2 Ų | 141.2 | 52% | 0.52 | 70% | 0.702 | S | S | . | * | trans | -86.3 | 84.3 | -175.4 | -148.8 | 0 | 0 | 0 | 0 | 108 | I190 S194 | I190-C192 HydrophobicContact CG2-CB 4.27Å; I190-C192 PolarHBondContact O-N 3.19Å; C192-S194 PolarHBondContact O-N 2.97Å; C192-S194 PolarHBondContact SG-O 3.07Å; C192-S194 VanDerWaalsContact SG-O 3.39Å | ||
| 193 | R | 42.9 | Very low | 43.5 | Very low | 241 Ų | 241 | 142 Ų | 142 | 91% | 0.909 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -77.7 | 8.4 | 170.3 | -152.6 | 171.1 | -170.9 | -170.8 | 1.3 | 112.6 | N191 | N191-R193 PolarHBondContact O-N 3.03Å; N191-R193 VanDerWaalsContact O-N 3.14Å |
| 194 | S | 40.8 | Very low | 43.3 | Very low | 100 Ų | 100 | 142.7 Ų | 142.7 | 70% | 0.699 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -147.2 | 89.1 | 174.9 | -49.1 | 0 | 0 | 0 | 0 | 109.3 | C192 C196 | C192-S194 PolarHBondContact O-N 2.97Å; C192-S194 PolarHBondContact SG-O 3.07Å; C192-S194 VanDerWaalsContact SG-O 3.39Å; S194-C196 PolarHBondContact O-N 3.04Å |
| 195 | Q | 47.2 | Very low | 42.9 | Very low | 179 Ų | 179 | 142.4 Ų | 142.4 | 84% | 0.836 | 71% | 0.708 | S | S | * | * | trans | -50.3 | 122.7 | 159.8 | -72.4 | 160.7 | -12.4 | 0 | 0 | 107.9 | ||||
| 196 | C | 41.7 | Very low | 42.9 | Very low | 122 Ų | 122 | 141.9 Ų | 141.9 | 82% | 0.824 | 72% | 0.719 | S | S | * | * | S | Bend | trans | 173.7 | -14.4 | 142.7 | -93.5 | 0 | 0 | 0 | 0 | 115.6 | S194 | S194-C196 PolarHBondContact O-N 3.04Š|
| 197 | L | 47.3 | Very low | 43 | Very low | 134 Ų | 134 | 137.7 Ų | 137.7 | 70% | 0.702 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -122.7 | -5.4 | -168.7 | -75.5 | 166.8 | 0 | 0 | 0 | 118.4 | C201 | L197-C201 PolarHBondContact O-N 3Š|
| 198 | C | 43.7 | Very low | 43.2 | Very low | 96 Ų | 96 | 137.2 Ų | 137.2 | 65% | 0.649 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -81.4 | -19.8 | -175.9 | -84.9 | 0 | 0 | 0 | 0 | 115.8 | ||
| 199 | Y | 46 | Very low | 42.9 | Very low | 202 Ų | 202 | 138 Ų | 138 | 79% | 0.792 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -85.2 | -21.6 | 178.8 | -151.7 | -100.8 | 0 | 0 | 0 | 113.4 | ||
| 200 | W | 42 | Very low | 43.2 | Very low | 212 Ų | 212 | 135.2 Ų | 135.2 | 80% | 0.803 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -83.6 | -27.2 | 171.5 | -108.6 | 24 | 0 | 0 | 0 | 113.2 | Y202 V203 | W200-Y202 VanDerWaalsContact C-N 3.27Å; W200-Y202 PolarHBondContact O-N 3.25Å; W200-V203 PolarHBondContact O-N 3.36Å |
| 201 | C | 42.2 | Very low | 43.1 | Very low | 89 Ų | 89 | 137.1 Ų | 137.1 | 60% | 0.601 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -66.2 | -28.6 | 173.3 | -122.5 | 0 | 0 | 0 | 0 | 112.8 | L197 | L197-C201 PolarHBondContact O-N 3Å |
| 202 | Y | 45.6 | Very low | 43.3 | Very low | 194 Ų | 194 | 137.4 Ų | 137.4 | 76% | 0.761 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -78 | -17.4 | -179 | -156.1 | -100.3 | 0 | 0 | 0 | 114.1 | W200 | W200-Y202 VanDerWaalsContact C-N 3.27Å; W200-Y202 PolarHBondContact O-N 3.25Å |
| 203 | V | 46.4 | Very low | 43.5 | Very low | 89 Ų | 89 | 143.5 Ų | 143.5 | 54% | 0.539 | 75% | 0.746 | S | S | . | * | H | α-helix | trans | -101.3 | -17.2 | -177.7 | -178 | 0 | 0 | 0 | 0 | 112.6 | W200 | W200-V203 PolarHBondContact O-N 3.36Å |
| 204 | Q | 40.8 | Very low | 43.3 | Very low | 152 Ų | 152 | 142 Ų | 142 | 71% | 0.71 | 75% | 0.747 | S | S | * | * | H | α-helix | trans | -82.8 | -21.7 | 178.1 | -152.8 | 83.9 | -4.3 | 0 | 0 | 113.3 | A206 | Q204-A206 PolarHBondContact O-N 3.29Å |
| 205 | E | 40.1 | Very low | 43.2 | Very low | 157 Ų | 157 | 140.4 Ų | 140.4 | 73% | 0.734 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -5.3 | 178.2 | -115.4 | 160.1 | -175.5 | 0 | 0 | 113.7 | ||
| 206 | A | 43.1 | Very low | 43.1 | Very low | 79 Ų | 79 | 137.2 Ų | 137.2 | 65% | 0.653 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | -6.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q204 | Q204-A206 PolarHBondContact O-N 3.29Š|
| 207 | V | 46.8 | Very low | 43.2 | Very low | 117 Ų | 117 | 134.9 Ų | 134.9 | 71% | 0.709 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -97.4 | -6.8 | -178.9 | -170.2 | 0 | 0 | 0 | 0 | 113.4 | ||
| 208 | S | 46 | Very low | 42.9 | Very low | 101 Ų | 101 | 139.2 Ų | 139.2 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -99.5 | 4.9 | 177 | -77.8 | 0 | 0 | 0 | 0 | 115.6 | ||
| 209 | C | 37.6 | Very low | 42.8 | Very low | 113 Ų | 113 | 142 Ų | 142 | 76% | 0.764 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -103.8 | 13.6 | -172.6 | -79.4 | 0 | 0 | 0 | 0 | 116.5 | ||
| 210 | T | 47.7 | Very low | 42.5 | Very low | 123 Ų | 123 | 139.8 Ų | 139.8 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -111.3 | -1.6 | 172.3 | 49.9 | 0 | 0 | 0 | 0 | 115.6 | ||
| 211 | N | 41.9 | Very low | 42.3 | Very low | 152 Ų | 152 | 143.3 Ų | 143.3 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -122.4 | 13.1 | -179.4 | -75.3 | -50.7 | 0 | 0 | 0 | 116.2 | ||
| 212 | L | 45.6 | Very low | 42.3 | Very low | 156 Ų | 156 | 146 Ų | 146 | 82% | 0.817 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -112.7 | 30.5 | 175.3 | -154.3 | 68.3 | 0 | 0 | 0 | 113.6 | ||
| 213 | F | 37.1 | Very low | 42.1 | Very low | 205 Ų | 205 | 143.5 Ų | 143.5 | 90% | 0.899 | 79% | 0.788 | S | S | * | * | trans | -139.9 | 44.8 | 171.4 | -108.6 | -86.8 | 0 | 0 | 0 | 112.7 | ||||
| 214 | K | 40.5 | Very low | 41.9 | Very low | 211 Ų | 211 | 146.5 Ų | 146.5 | 92% | 0.917 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -124.7 | 79.5 | 148.6 | -78.1 | 179.3 | 178.8 | 173.5 | 0 | 105.2 | ||
| 215 | G | 37.4 | Very low | 42 | Very low | 66 Ų | 66 | 146.2 Ų | 146.2 | 68% | 0.68 | 81% | 0.807 | S | S | * | * | 88.6 | 67.6 | 68.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | A217 | G215-A217 VanDerWaalsContact C-N 3.31Å; G215-A217 PolarHBondContact O-N 3.03Å; G215-A217 VanDerWaalsContact O-N 3.11Å | |||
| 216 | A | 45 | Very low | 42.1 | Very low | 112 Ų | 112 | 145.5 Ų | 145.5 | 93% | 0.926 | 81% | 0.812 | S | S | * | * | trans | -67.5 | 95.2 | 157.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 217 | A | 43.6 | Very low | 42 | Very low | 72 Ų | 72 | 149.9 Ų | 149.9 | 60% | 0.595 | 82% | 0.823 | S | S | * | * | trans | -157.5 | 142.4 | 163.1 | 0 | 0 | 0 | 0 | 0 | 106.9 | G215 | G215-A217 VanDerWaalsContact C-N 3.31Å; G215-A217 PolarHBondContact O-N 3.03Å; G215-A217 VanDerWaalsContact O-N 3.11Å | ||
| 218 | Y | 41.1 | Very low | 41.7 | Very low | 226 Ų | 226 | 152.3 Ų | 152.3 | 89% | 0.886 | 83% | 0.831 | S | S | * | * | trans | 77.9 | 88.3 | -165.2 | -46 | -72.8 | 0 | 0 | 0 | 112 | ||||
| 219 | L | 42.3 | Very low | 41.3 | Very low | 154 Ų | 154 | 156.2 Ų | 156.2 | 81% | 0.806 | 84% | 0.84 | S | S | * | * | cis | 48.7 | 106.9 | 34.1 | -90.9 | 174 | 0 | 0 | 0 | 114.5 | ||||
| 220 | L | 39.5 | Very low | 41.6 | Very low | 156 Ų | 156 | 159.8 Ų | 159.8 | 82% | 0.817 | 85% | 0.847 | S | S | * | * | trans | 64.5 | 82.2 | 155.5 | -64.3 | 164.5 | 0 | 0 | 0 | 117.5 | ||||
| 221 | F | 38 | Very low | 41.1 | Very low | 285 Ų | 285 | 163.2 Ų | 163.2 | 100% | 1.25 | 86% | 0.855 | S | S | * | * | -178.5 | 0 | 114.7 | -116.9 | -90.4 | 0 | 0 | 0 | 109.8 |
Retrieved 221 of 221 residues in 75.3 ms
(Link to these results)