| 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 | 40.6 | Very low | 49.9 | Very low | 242 Ų | 242 | 131.5 Ų | 131.5 | 100% | 1.192 | 85% | 0.849 | S | S | * | * | 0 | 103.6 | 0 | -105 | 148.7 | 162 | 0 | 0 | 107.4 | |||||
| 2 | E | 49.1 | Very low | 50.2 | Low | 182 Ų | 182 | 129.8 Ų | 129.8 | 85% | 0.85 | 84% | 0.843 | S | S | * | * | trans | -53 | 142.8 | 161.7 | 60.1 | -147.4 | 72.8 | 0 | 0 | 111.7 | ||||
| 3 | N | 46.3 | Very low | 49.7 | Very low | 156 Ų | 156 | 130.2 Ų | 130.2 | 83% | 0.834 | 84% | 0.84 | S | S | * | * | -157 | 121 | 128 | 48.1 | 70.1 | 0 | 0 | 0 | 109.7 | |||||
| 4 | S | 54.1 | Low | 49.8 | Very low | 127 Ų | 127 | 129.4 Ų | 129.4 | 89% | 0.888 | 84% | 0.838 | S | S | * | * | trans | -75.5 | 142.4 | 162 | -47.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 5 | G | 46.5 | Very low | 49.5 | Very low | 75 Ų | 75 | 125.3 Ų | 125.3 | 77% | 0.773 | 83% | 0.829 | S | S | * | * | trans | -159 | 68.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 6 | A | 49.7 | Very low | 48.8 | Very low | 88 Ų | 88 | 121.5 Ų | 121.5 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | trans | 23.4 | 118.1 | 156.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | S8 | A6-S8 PolarHBondContact O-N 2.69Š| ||
| 7 | S | 60.6 | Low | 49 | Very low | 119 Ų | 119 | 123 Ų | 123 | 83% | 0.832 | 82% | 0.817 | S | S | * | * | trans | -51 | 125 | 144.5 | 52.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 8 | S | 53 | Low | 49.2 | Very low | 117 Ų | 117 | 124.6 Ų | 124.6 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -146 | 110.4 | 156.2 | -82 | 0 | 0 | 0 | 0 | 108.9 | A6 | A6-S8 PolarHBondContact O-N 2.69Š| ||
| 9 | G | 48.2 | Very low | 49.1 | Very low | 70 Ų | 70 | 123.7 Ų | 123.7 | 72% | 0.722 | 81% | 0.81 | S | S | * | * | trans | -71.4 | 154.9 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 10 | L | 54.7 | Low | 49.3 | Very low | 178 Ų | 178 | 122.6 Ų | 122.6 | 93% | 0.932 | 80% | 0.801 | S | S | * | * | trans | 43.3 | 110.5 | 147.7 | -47.2 | 178.1 | 0 | 0 | 0 | 118.3 | ||||
| 11 | A | 46.6 | Very low | 49.6 | Very low | 93 Ų | 93 | 126.5 Ų | 126.5 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | trans | -160.7 | 107.7 | 131.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | V13 | A11-V13 PolarHBondContact O-N 2.86Å; A11-V13 VanDerWaalsContact O-N 3.11Å | ||
| 12 | S | 52.7 | Low | 50.4 | Low | 111 Ų | 111 | 121.2 Ų | 121.2 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | -59 | 106.2 | 155.8 | 172.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 13 | V | 43.6 | Very low | 50.8 | Low | 134 Ų | 134 | 117.5 Ų | 117.5 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | trans | -108.9 | 80.4 | 167.1 | 93.1 | 0 | 0 | 0 | 0 | 107.7 | A11 G15 | A11-V13 PolarHBondContact O-N 2.86Å; A11-V13 VanDerWaalsContact O-N 3.11Å; V13-G15 PolarHBondContact O-N 2.89Å; V13-G15 VanDerWaalsContact O-N 3.09Å | ||
| 14 | C | 51.4 | Low | 51.4 | Low | 120 Ų | 120 | 114 Ų | 114 | 81% | 0.811 | 76% | 0.756 | S | S | * | * | trans | -72.3 | 88 | 155.5 | 39.2 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 15 | G | 46 | Very low | 51.6 | Low | 67 Ų | 67 | 114.1 Ų | 114.1 | 69% | 0.691 | 75% | 0.746 | S | S | * | * | trans | -135.1 | 103.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | V13 | V13-G15 PolarHBondContact O-N 2.89Å; V13-G15 VanDerWaalsContact O-N 3.09Å | ||
| 16 | G | 37.7 | Very low | 52.1 | Low | 65 Ų | 65 | 121.5 Ų | 121.5 | 67% | 0.67 | 75% | 0.751 | S | S | * | * | trans | 168.8 | 56.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | N18 | G16-N18 PolarHBondContact O-N 2.71Š| ||
| 17 | D | 51.7 | Low | 52.6 | Low | 147 Ų | 147 | 124.6 Ų | 124.6 | 79% | 0.786 | 74% | 0.744 | S | S | * | * | trans | -46.1 | 115.8 | 160.4 | 50.5 | -70.6 | 0 | 0 | 0 | 109.5 | ||||
| 18 | N | 53.5 | Low | 52.4 | Low | 151 Ų | 151 | 124.5 Ų | 124.5 | 81% | 0.807 | 74% | 0.74 | S | S | * | * | trans | -146 | 122.5 | 150.7 | -104.5 | -81.4 | 0 | 0 | 0 | 107 | G16 T20 | G16-N18 PolarHBondContact O-N 2.71Å; N18-T20 PolarHBondContact O-N 2.87Å | ||
| 19 | P | 46.9 | Very low | 52.5 | Low | 109 Ų | 109 | 127.4 Ų | 127.4 | 71% | 0.708 | 73% | 0.733 | S | S | * | * | trans | -72.7 | 125 | -169 | 30.1 | -32.5 | 0 | 0 | 0 | 108.9 | Q21 | P19-Q21 PolarHBondContact O-N 2.91Š| ||
| 20 | T | 53.2 | Low | 52.8 | Low | 101 Ų | 101 | 126.5 Ų | 126.5 | 62% | 0.62 | 71% | 0.712 | S | S | * | * | trans | 46.1 | 75.1 | 145.8 | 39.2 | 0 | 0 | 0 | 0 | 115.1 | N18 Q22 | N18-T20 PolarHBondContact O-N 2.87Å; T20-Q22 HydrophobicContact CG2-CG 4.1Å; T20-Q22 PolarHBondContact O-N 3.34Å | ||
| 21 | Q | 55.1 | Low | 52.4 | Low | 204 Ų | 204 | 128.2 Ų | 128.2 | 95% | 0.953 | 71% | 0.712 | S | S | * | * | trans | -70.7 | 63.5 | 153.4 | -157.3 | -176 | 90.1 | 0 | 0 | 108.6 | P19 | P19-Q21 PolarHBondContact O-N 2.91Š| ||
| 22 | Q | 57.9 | Low | 52.6 | Low | 131 Ų | 131 | 127.9 Ų | 127.9 | 61% | 0.612 | 70% | 0.701 | S | S | * | * | trans | -91.6 | 107.1 | 170.5 | -66.1 | -169.2 | -2.3 | 0 | 0 | 106.3 | T20 N24 | T20-Q22 HydrophobicContact CG2-CG 4.1Å; T20-Q22 PolarHBondContact O-N 3.34Å; Q22-N24 PolarHBondContact O-N 3.4Å; Q22-N24 PolarHBondContact O-ND2 3.45Å | ||
| 23 | S | 56.7 | Low | 52.8 | Low | 104 Ų | 104 | 132 Ų | 132 | 73% | 0.727 | 71% | 0.707 | S | S | * | * | trans | -60.9 | 80.8 | 171.4 | 43.3 | 0 | 0 | 0 | 0 | 109.8 | L25 | S23-L25 PolarHBondContact O-N 3.36Š| ||
| 24 | N | 58.9 | Low | 53.4 | Low | 82 Ų | 82 | 128.6 Ų | 128.6 | 44% | 0.439 | 70% | 0.7 | S | S | . | * | trans | -74.3 | 38.6 | 176.9 | -73.1 | -40.7 | 0 | 0 | 0 | 112 | Q22 W26 N30 | Q22-N24 PolarHBondContact O-N 3.4Å; Q22-N24 PolarHBondContact O-ND2 3.45Å; N24-W26 VanDerWaalsContact C-N 3.27Å; N24-W26 PolarHBondContact O-N 3.15Å; N24-N30 VanDerWaalsContact CB-ND2 3.32Å; N24-N30 WeakPolarHBondContact CB-ND2 3.49Å; N24-N30 PolarHBondContact OD1-ND2 3.02Å | ||
| 25 | L | 59.9 | Low | 53.6 | Low | 131 Ų | 131 | 132.4 Ų | 132.4 | 69% | 0.686 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -76 | -15.2 | -168.8 | -74.2 | 155.4 | 0 | 0 | 0 | 112.8 | S23 | S23-L25 PolarHBondContact O-N 3.36Š|
| 26 | W | 56.2 | Low | 53.7 | Low | 230 Ų | 230 | 135.9 Ų | 135.9 | 87% | 0.871 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -149.5 | 16.2 | -165.6 | -67.3 | 97.8 | 0 | 0 | 0 | 117.8 | N24 | N24-W26 VanDerWaalsContact C-N 3.27Å; N24-W26 PolarHBondContact O-N 3.15Å |
| 27 | R | 60.1 | Low | 54.3 | Low | 153 Ų | 153 | 136 Ų | 136 | 58% | 0.577 | 71% | 0.708 | S | S | * | * | trans | -122.2 | 96.9 | 179.3 | -64.1 | -162.7 | -173.7 | -71.3 | 3.4 | 112.3 | W29 N30 | R27-W29 HydrophobicContact CB-CD2 4.25Å; R27-W29 HydrophobicContact CB-CZ2 4.23Å; R27-W29 HydrophobicContact CG-CH2 4.41Å; R27-W29 HydrophobicContact CG-CZ2 3.92Å; R27-W29 PolarHBondContact O-N 3.26Å; R27-N30 PolarHBondContact O-N 3.43Å; R27-N30 VanDerWaalsContact O-N 3.11Å; R27-N30 PolarHBondContact O-OD1 3.48Å | ||
| 28 | P | 55.5 | Low | 54.2 | Low | 117 Ų | 117 | 137.2 Ų | 137.2 | 76% | 0.76 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | -5.4 | -179.4 | 24.9 | -32.1 | 0 | 0 | 0 | 114.9 | ||
| 29 | W | 55.1 | Low | 53.8 | Low | 177 Ų | 177 | 138.5 Ų | 138.5 | 67% | 0.67 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.7 | 1 | 176.1 | 58.5 | 84.5 | 0 | 0 | 0 | 114 | R27 K31 | R27-W29 HydrophobicContact CB-CD2 4.25Å; R27-W29 HydrophobicContact CB-CZ2 4.23Å; R27-W29 HydrophobicContact CG-CH2 4.41Å; R27-W29 HydrophobicContact CG-CZ2 3.92Å; R27-W29 PolarHBondContact O-N 3.26Å; W29-K31 PolarHBondContact O-N 2.95Å |
| 30 | N | 54.8 | Low | 53.6 | Low | 52 Ų | 52 | 139 Ų | 139 | 28% | 0.278 | 71% | 0.709 | S | S | . | * | S | Bend | trans | -68.7 | 116.2 | 160.5 | 59.4 | 8 | 0 | 0 | 0 | 106.6 | N24 R27 T32 | N24-N30 VanDerWaalsContact CB-ND2 3.32Å; N24-N30 WeakPolarHBondContact CB-ND2 3.49Å; N24-N30 PolarHBondContact OD1-ND2 3.02Å; R27-N30 PolarHBondContact O-N 3.43Å; R27-N30 VanDerWaalsContact O-N 3.11Å; R27-N30 PolarHBondContact O-OD1 3.48Å; N30-T32 PolarHBondContact O-N 3.17Å |
| 31 | K | 47.7 | Very low | 53.3 | Low | 213 Ų | 213 | 139 Ų | 139 | 93% | 0.926 | 71% | 0.709 | S | S | * | * | trans | -71.8 | 76.7 | 169.9 | -68.7 | 179.8 | 176.9 | 179.2 | 0 | 107 | W29 | W29-K31 PolarHBondContact O-N 2.95Š| ||
| 32 | T | 50.3 | Low | 52.9 | Low | 87 Ų | 87 | 140.7 Ų | 140.7 | 53% | 0.534 | 71% | 0.707 | S | S | . | * | trans | -105.2 | 98.9 | 165.3 | -49.6 | 0 | 0 | 0 | 0 | 105.5 | N30 G34 | N30-T32 PolarHBondContact O-N 3.17Å; T32-G34 PolarHBondContact O-N 3.28Å | ||
| 33 | E | 55.4 | Low | 52.3 | Low | 196 Ų | 196 | 140.4 Ų | 140.4 | 92% | 0.916 | 70% | 0.704 | S | S | * | * | trans | -56.1 | 98.4 | 172.4 | 55.4 | -160.8 | 163.8 | 0 | 0 | 110 | ||||
| 34 | G | 57 | Low | 51.5 | Low | 64 Ų | 64 | 142.3 Ų | 142.3 | 66% | 0.66 | 71% | 0.711 | S | S | * | * | S | Bend | trans | 167.7 | 98.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | T32 | T32-G34 PolarHBondContact O-N 3.28Š|
| 35 | Q | 55.9 | Low | 50.8 | Low | 200 Ų | 200 | 143.9 Ų | 143.9 | 94% | 0.935 | 72% | 0.715 | S | S | * | * | trans | 70.8 | 84.6 | 161.9 | -63.2 | -179.8 | 28.8 | 0 | 0 | 117.2 | A37 | Q35-A37 PolarHBondContact O-N 3.33Š| ||
| 36 | T | 47.9 | Very low | 49.7 | Very low | 140 Ų | 140 | 145.8 Ų | 145.8 | 86% | 0.859 | 72% | 0.721 | S | S | * | * | trans | -74.1 | 107.1 | 158.4 | 11.2 | 0 | 0 | 0 | 0 | 110 | Q38 | T36-Q38 PolarHBondContact O-N 3.48Š| ||
| 37 | A | 50.7 | Low | 49.2 | Very low | 67 Ų | 67 | 143.1 Ų | 143.1 | 55% | 0.554 | 72% | 0.718 | S | S | * | * | trans | -61.4 | 121.6 | 163.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | Q35 F39 | Q35-A37 PolarHBondContact O-N 3.33Å; A37-F39 HydrophobicContact CB-CD2 4.22Å; A37-F39 HydrophobicContact CB-CE2 3.62Å; A37-F39 HydrophobicContact CB-CZ 4.05Å; A37-F39 VanDerWaalsContact O-CD2 3.29Å; A37-F39 WeakPolarHBondContact O-CD2 3.46Å; A37-F39 PolarHBondContact O-N 2.91Å | ||
| 38 | Q | 48.9 | Very low | 48.5 | Very low | 173 Ų | 173 | 143.5 Ų | 143.5 | 81% | 0.808 | 73% | 0.73 | S | S | * | * | trans | -74.4 | 89.1 | -179.4 | -62.8 | 177.9 | 17.8 | 0 | 0 | 109.4 | T36 T40 | T36-Q38 PolarHBondContact O-N 3.48Å; Q38-T40 PolarHBondContact O-N 3.25Å | ||
| 39 | F | 46.4 | Very low | 48.2 | Very low | 178 Ų | 178 | 142.8 Ų | 142.8 | 78% | 0.781 | 73% | 0.727 | S | S | * | * | trans | -81 | 74.8 | 166.4 | -61.4 | -81 | 0 | 0 | 0 | 109 | A37 T41 | A37-F39 HydrophobicContact CB-CD2 4.22Å; A37-F39 HydrophobicContact CB-CE2 3.62Å; A37-F39 HydrophobicContact CB-CZ 4.05Å; A37-F39 VanDerWaalsContact O-CD2 3.29Å; A37-F39 WeakPolarHBondContact O-CD2 3.46Å; A37-F39 PolarHBondContact O-N 2.91Å; F39-T41 VanDerWaalsContact C-N 3.32Å; F39-T41 PolarHBondContact O-N 3.07Å; F39-T41 VanDerWaalsContact O-N 3.07Å | ||
| 40 | T | 42.7 | Very low | 47.5 | Very low | 118 Ų | 118 | 139.4 Ų | 139.4 | 72% | 0.724 | 73% | 0.731 | S | S | * | * | trans | -79 | 78.6 | 172.9 | 22.1 | 0 | 0 | 0 | 0 | 110 | Q38 R42 | Q38-T40 PolarHBondContact O-N 3.25Å; T40-R42 PolarHBondContact O-N 3.33Å | ||
| 41 | T | 47 | Very low | 47.3 | Very low | 101 Ų | 101 | 141.3 Ų | 141.3 | 62% | 0.62 | 75% | 0.754 | S | S | * | * | trans | -83.7 | 98.6 | 166.5 | 64.7 | 0 | 0 | 0 | 0 | 108.7 | F39 F43 | F39-T41 VanDerWaalsContact C-N 3.32Å; F39-T41 PolarHBondContact O-N 3.07Å; F39-T41 VanDerWaalsContact O-N 3.07Å; T41-F43 HydrophobicContact CG2-CE2 4.39Å; T41-F43 PolarHBondContact O-N 3.2Å; T41-F43 WeakPolarHBondContact OG1-CE2 3.14Å | ||
| 42 | R | 44.9 | Very low | 47.5 | Very low | 241 Ų | 241 | 138.8 Ų | 138.8 | 91% | 0.909 | 75% | 0.745 | S | S | * | * | trans | -70.9 | 109.8 | 170.6 | -68.6 | -158.1 | -81.1 | -169.2 | -4.4 | 108.7 | T40 | T40-R42 PolarHBondContact O-N 3.33Š| ||
| 43 | F | 45.9 | Very low | 47.1 | Very low | 124 Ų | 124 | 139.6 Ų | 139.6 | 54% | 0.544 | 75% | 0.752 | S | S | . | * | trans | -104.4 | 114.5 | 169.7 | -77.4 | -79.5 | 0 | 0 | 0 | 109.1 | T41 H45 | T41-F43 HydrophobicContact CG2-CE2 4.39Å; T41-F43 PolarHBondContact O-N 3.2Å; T41-F43 WeakPolarHBondContact OG1-CE2 3.14Å; F43-H45 PolarHBondContact O-N 2.99Å | ||
| 44 | V | 40 | Very low | 46.7 | Very low | 145 Ų | 145 | 139.8 Ų | 139.8 | 88% | 0.879 | 75% | 0.75 | S | S | * | * | trans | -73 | 107.8 | 166.1 | -74.4 | 0 | 0 | 0 | 0 | 107.2 | E46 | V44-E46 PolarHBondContact O-N 3.01Š| ||
| 45 | H | 44 | Very low | 46.7 | Very low | 114 Ų | 114 | 143 Ų | 143 | 53% | 0.528 | 75% | 0.751 | S | S | . | * | trans | -82.4 | 99.6 | 174.5 | 176.8 | -93.7 | 0 | 0 | 0 | 107.9 | F43 E47 | F43-H45 PolarHBondContact O-N 2.99Å; H45-E47 PolarHBondContact O-N 3.42Å | ||
| 46 | E | 37.9 | Very low | 46.8 | Very low | 171 Ų | 171 | 141.2 Ų | 141.2 | 80% | 0.799 | 74% | 0.742 | S | S | * | * | trans | -67.2 | 121 | 175.4 | -172.3 | 156.2 | -173.1 | 0 | 0 | 109.9 | V44 I48 | V44-E46 PolarHBondContact O-N 3.01Å; E46-I48 PolarHBondContact O-N 3.32Å | ||
| 47 | E | 44.4 | Very low | 47.3 | Very low | 174 Ų | 174 | 142 Ų | 142 | 81% | 0.813 | 74% | 0.736 | S | S | * | * | trans | -78.9 | 103.3 | -171.8 | -175.2 | -174.4 | 164.8 | 0 | 0 | 110.4 | H45 | H45-E47 PolarHBondContact O-N 3.42Š| ||
| 48 | I | 45 | Very low | 47.5 | Very low | 162 Ų | 162 | 142.1 Ų | 142.1 | 83% | 0.831 | 73% | 0.73 | S | S | * | * | trans | -101.8 | 106 | 171.7 | -30.8 | 169.7 | 0 | 0 | 0 | 108.6 | E46 | E46-I48 PolarHBondContact O-N 3.32Š| ||
| 49 | S | 49.2 | Very low | 48 | Very low | 101 Ų | 101 | 138.7 Ų | 138.7 | 71% | 0.706 | 72% | 0.716 | S | S | * | * | trans | -76.5 | 121.8 | 174.7 | 177.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 50 | S | 41.4 | Very low | 48.9 | Very low | 106 Ų | 106 | 132.1 Ų | 132.1 | 74% | 0.741 | 69% | 0.688 | S | S | * | * | 162.4 | 125.2 | 123.4 | 55 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 51 | A | 49.9 | Very low | 50.5 | Low | 92 Ų | 92 | 131.8 Ų | 131.8 | 76% | 0.76 | 69% | 0.688 | S | S | * | * | trans | 38.2 | 78.4 | 155.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 52 | Q | 52.3 | Low | 52.2 | Low | 160 Ų | 160 | 130.5 Ų | 130.5 | 75% | 0.748 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -148.6 | 158.8 | 153.5 | -80.7 | -54.6 | -69.1 | 0 | 0 | 108.6 | K54 | Q52-K54 PolarHBondContact O-N 3.03Š|
| 53 | P | 41.4 | Very low | 54.2 | Low | 105 Ų | 105 | 123.6 Ų | 123.6 | 68% | 0.682 | 66% | 0.656 | S | S | * | * | trans | -51.9 | 113.8 | 177.2 | 20.7 | -31.5 | 0 | 0 | 0 | 107.7 | I55 | P53-I55 WeakPolarHBondContact O-CG1 3.34Å; P53-I55 PolarHBondContact O-N 3.5Å | ||
| 54 | K | 47.2 | Very low | 56.1 | Low | 199 Ų | 199 | 121.4 Ų | 121.4 | 87% | 0.865 | 65% | 0.649 | S | S | * | * | trans | -65.5 | 83.9 | -174.7 | -69.1 | 174.3 | 178.1 | 178.4 | 0 | 107.4 | Q52 Q56 | Q52-K54 PolarHBondContact O-N 3.03Å; K54-Q56 PolarHBondContact O-N 3.36Å | ||
| 55 | I | 57.2 | Low | 58.4 | Low | 133 Ų | 133 | 120.8 Ų | 120.8 | 68% | 0.682 | 64% | 0.635 | S | S | * | * | trans | -59.5 | 100.1 | 158.4 | -40.1 | 173.2 | 0 | 0 | 0 | 101.6 | P53 Q57 | P53-I55 WeakPolarHBondContact O-CG1 3.34Å; P53-I55 PolarHBondContact O-N 3.5Å; I55-Q57 PolarHBondContact O-N 3.22Å | ||
| 56 | Q | 58.5 | Low | 60.6 | Low | 161 Ų | 161 | 118 Ų | 118 | 75% | 0.752 | 62% | 0.62 | S | S | * | * | trans | -48.5 | 115 | 176.2 | -69.8 | 175.9 | -6.7 | 0 | 0 | 104.9 | K54 V58 | K54-Q56 PolarHBondContact O-N 3.36Å; Q56-V58 HydrophobicContact CB-CG2 3.86Å; Q56-V58 WeakPolarHBondContact O-CG2 3.39Å; Q56-V58 PolarHBondContact O-N 3.36Å | ||
| 57 | Q | 57.3 | Low | 63 | Low | 157 Ų | 157 | 111.3 Ų | 111.3 | 73% | 0.734 | 59% | 0.591 | S | S | * | * | trans | -76.2 | 70.8 | -177.4 | -154.2 | 164.7 | -3.6 | 0 | 0 | 105 | I55 I59 | I55-Q57 PolarHBondContact O-N 3.22Å; Q57-I59 PolarHBondContact O-N 3.49Å | ||
| 58 | V | 55.8 | Low | 65 | Low | 70 Ų | 70 | 107.8 Ų | 107.8 | 42% | 0.424 | 57% | 0.574 | S | S | . | * | trans | -68.8 | 104.4 | -178 | -176.9 | 0 | 0 | 0 | 0 | 104.9 | Q56 H60 | Q56-V58 HydrophobicContact CB-CG2 3.86Å; Q56-V58 WeakPolarHBondContact O-CG2 3.39Å; Q56-V58 PolarHBondContact O-N 3.36Å; V58-H60 PolarHBondContact O-CE1 2.82Å; V58-H60 PolarHBondContact O-N 3.26Å; V58-H60 PolarHBondContact O-ND1 3.28Å | ||
| 59 | I | 58.8 | Low | 66.9 | Low | 101 Ų | 101 | 103.3 Ų | 103.3 | 52% | 0.518 | 56% | 0.556 | S | S | . | * | trans | -67.9 | 105.1 | 173.5 | -63.2 | 168 | 0 | 0 | 0 | 105.9 | Q57 | Q57-I59 PolarHBondContact O-N 3.49Š| ||
| 60 | H | 65.1 | Low | 68.5 | Low | 40 Ų | 40 | 104.3 Ų | 104.3 | 19% | 0.185 | 55% | 0.548 | C | S | . | . | trans | -68 | 133.5 | -176.1 | -61.7 | -34.7 | 0 | 0 | 0 | 110.6 | V58 V62 Q89 A90 T91 | V58-H60 PolarHBondContact O-CE1 2.82Å; V58-H60 PolarHBondContact O-N 3.26Å; V58-H60 PolarHBondContact O-ND1 3.28Å; H60-V62 PolarHBondContact O-N 3Å; H60-Q89 VanDerWaalsContact CB-O 3.26Å; H60-Q89 WeakPolarHBondContact CB-O 3.4Å; H60-Q89 WeakPolarHBondContact CE1-CB 3.06Å; H60-Q89 PolarHBondContact CE1-OE1 3.29Å; H60-Q89 WeakPolarHBondContact ND1-CB 3.29Å; H60-A90 VanDerWaalsContact CD2-C 3.46Å; H60-A90 PolarHBondContact CD2-O 3.31Å; H60-A90 VanDerWaalsContact CD2-O 3.22Å; H60-T91 VanDerWaalsContact CB-OG1 3.24Å; H60-T91 WeakPolarHBondContact CB-OG1 3.26Å; H60-T91 PolarHBondContact CD2-OG1 3.02Å | ||
| 61 | P | 76.2 | Confident | 70.7 | Confident | 111 Ų | 111 | 100.9 Ų | 100.9 | 72% | 0.721 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -70.2 | -19.7 | -176.3 | 27.9 | -34.5 | 0 | 0 | 0 | 113 | I88 | P61-I88 HydrophobicContact CG-CG2 3.96Š|
| 62 | V | 83.9 | Confident | 72.6 | Confident | 74 Ų | 74 | 100.8 Ų | 100.8 | 45% | 0.448 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 130.7 | 178.8 | -179.2 | 0 | 0 | 0 | 0 | 109.5 | H60 I88 A90 T91 | H60-V62 PolarHBondContact O-N 3Å; V62-I88 HydrophobicContact CG2-CG2 4.14Å; V62-A90 HydrophobicContact CB-CB 3.86Å; V62-A90 HydrophobicContact CG1-CB 3.85Å; V62-A90 CarbonylContact O-C 3.55Å; V62-A90 WeakPolarHBondContact O-CA 3.46Å; V62-A90 WeakPolarHBondContact O-CB 3.23Å; V62-T91 PolarHBondContact O-N 3.09Å |
| 63 | K | 86.5 | Confident | 74.4 | Confident | 96 Ų | 96 | 99.9 Ų | 99.9 | 42% | 0.417 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 124.7 | 174.4 | -75.6 | -179.2 | 168.3 | 179.8 | 0 | 110.7 | F65 T91 | K63-F65 HydrophobicContact CB-CE2 3.95Å; K63-F65 HydrophobicContact CB-CZ 4.22Å; K63-F65 HydrophobicContact CD-CZ 4.31Å; K63-T91 CarbonylContact C-O 3.43Å; K63-T91 WeakPolarHBondContact CA-O 2.94Å |
| 64 | L | 86.9 | Confident | 76.9 | Confident | 77 Ų | 77 | 101.8 Ų | 101.8 | 40% | 0.403 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 114 | 170.3 | 178.8 | 67.2 | 0 | 0 | 0 | 108.3 | W66 T91 I92 C93 | L64-W66 HydrophobicContact CD2-CE3 4.26Å; L64-W66 HydrophobicContact CD2-CZ3 4.43Å; L64-T91 PolarHBondContact N-O 3.17Å; L64-I92 HydrophobicContact CD2-CG1 4.45Å; L64-I92 CarbonylContact O-C 3.51Å; L64-I92 WeakPolarHBondContact O-CA 3.29Å; L64-C93 PolarHBondContact O-N 3.21Å |
| 65 | F | 87.4 | Confident | 79 | Confident | 132 Ų | 132 | 94.8 Ų | 94.8 | 58% | 0.579 | 47% | 0.473 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 131.1 | 178.1 | -70.5 | -83.4 | 0 | 0 | 0 | 111 | K63 C93 Y95 | K63-F65 HydrophobicContact CB-CE2 3.95Å; K63-F65 HydrophobicContact CB-CZ 4.22Å; K63-F65 HydrophobicContact CD-CZ 4.31Å; F65-C93 WeakPolarHBondContact CA-O 3.49Å; F65-C93 HydrophobicContact CD1-CB 3.73Å; F65-C93 HydrophobicContact CE1-CB 3.8Å; F65-C93 HydrophobicContact CG-CB 4.45Å; F65-Y95 HydrophobicContact CB-CD1 4.12Å |
| 66 | W | 89.9 | Confident | 80.6 | Confident | 55 Ų | 55 | 92.6 Ų | 92.6 | 21% | 0.208 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 130.7 | -179.2 | -151.6 | -54.9 | 0 | 0 | 0 | 110.9 | L64 K68 K70 C71 L75 A79 I92 C93 P94 Y95 | L64-W66 HydrophobicContact CD2-CE3 4.26Å; L64-W66 HydrophobicContact CD2-CZ3 4.43Å; W66-K68 PolarHBondContact O-N 3.22Å; W66-K70 VanDerWaalsContact NE1-C 3.35Å; W66-K70 PolarHBondContact NE1-O 3.11Å; W66-C71 HydrophobicContact CG-CB 4.49Å; W66-L75 HydrophobicContact CH2-CB 3.87Å; W66-L75 HydrophobicContact CH2-CD1 4.35Å; W66-L75 HydrophobicContact CZ2-CB 3.97Å; W66-L75 HydrophobicContact CZ2-CD1 3.76Å; W66-L75 HydrophobicContact CZ2-CG 4.47Å; W66-A79 HydrophobicContact CZ3-CB 4.12Å; W66-I92 HydrophobicContact CB-CG2 4.31Å; W66-I92 HydrophobicContact CE3-CG2 4.26Å; W66-C93 PolarHBondContact N-O 3.3Å; W66-P94 CarbonylContact O-C 3.53Å; W66-P94 VanDerWaalsContact O-CA 3.29Å; W66-P94 WeakPolarHBondContact O-CA 3.28Å; W66-Y95 VanDerWaalsContact C-CE1 3.49Å; W66-Y95 VanDerWaalsContact O-CD1 3.25Å; W66-Y95 WeakPolarHBondContact O-CD1 3.21Å; W66-Y95 PolarHBondContact O-N 2.9Å |
| 67 | P | 88.8 | Confident | 82.1 | Confident | 31 Ų | 31 | 93.3 Ų | 93.3 | 20% | 0.201 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 130.4 | 173.6 | -7.9 | 14 | 0 | 0 | 0 | 110.8 | S69 K70 C71 Y95 N97 | P67-S69 VanDerWaalsContact C-N 3.26Å; P67-S69 PolarHBondContact O-N 2.81Å; P67-K70 CarbonylContact O-C 3.53Å; P67-K70 PolarHBondContact O-N 3.31Å; P67-C71 PolarHBondContact O-N 2.99Å; P67-C71 VanDerWaalsContact O-N 3.12Å; P67-Y95 HydrophobicContact CB-CE1 4.02Å; P67-Y95 HydrophobicContact CG-CE1 3.84Å; P67-Y95 WeakPolarHBondContact CG-OH 3.3Å; P67-Y95 VanDerWaalsContact N-CE1 3.27Å; P67-N97 HydrophobicContact CB-CB 4.38Å |
| 68 | K | 85.8 | Confident | 83.7 | Confident | 101 Ų | 101 | 91 Ų | 91 | 44% | 0.439 | 45% | 0.445 | S | S | . | . | G | 310 helix | trans | -56.1 | -37.1 | 179.7 | -88 | 175.4 | 155.7 | 178.1 | 0 | 114.1 | W66 K70 C71 P94 Y95 E96 | W66-K68 PolarHBondContact O-N 3.22Å; K68-K70 PolarHBondContact O-N 2.65Å; K68-K70 VanDerWaalsContact O-N 3.14Å; K68-C71 PolarHBondContact O-N 2.77Å; K68-C71 VanDerWaalsContact O-N 3.15Å; K68-P94 HydrophobicContact CG-CB 3.74Å; K68-Y95 PolarHBondContact N-O 3.08Å; K68-E96 HydrophobicContact CD-CG 4.44Å; K68-E96 WeakPolarHBondContact CD-OE1 3.5Å; K68-E96 VanDerWaalsContact CD-OE2 3.23Å; K68-E96 WeakPolarHBondContact CD-OE2 3.35Å; K68-E96 WeakPolarHBondContact CE-OE1 3.18Å; K68-E96 WeakPolarHBondContact CE-OE2 3.15Å; K68-E96 IonicContact NZ-OE1 2.79Å; K68-E96 PolarHBondContact NZ-OE1 3.29Å; K68-E96 IonicContact NZ-OE2 2.64Å; K68-E96 PolarHBondContact NZ-OE2 3.33Å |
| 69 | S | 85.6 | Confident | 85.3 | Confident | 67 Ų | 67 | 88.3 Ų | 88.3 | 47% | 0.469 | 43% | 0.43 | S | S | . | . | G | 310 helix | trans | -64.1 | -15.4 | 176.7 | 59.8 | 0 | 0 | 0 | 0 | 114.4 | P67 | P67-S69 VanDerWaalsContact C-N 3.26Å; P67-S69 PolarHBondContact O-N 2.81Å |
| 70 | K | 83.7 | Confident | 86.7 | Confident | 123 Ų | 123 | 87.4 Ų | 87.4 | 54% | 0.535 | 42% | 0.424 | S | S | . | . | G | 310 helix | trans | -119.4 | 9.5 | 178.1 | -58.5 | -62 | -179.2 | -169.1 | 0 | 112.4 | W66 P67 K68 F72 | W66-K70 VanDerWaalsContact NE1-C 3.35Å; W66-K70 PolarHBondContact NE1-O 3.11Å; P67-K70 CarbonylContact O-C 3.53Å; P67-K70 PolarHBondContact O-N 3.31Å; K68-K70 PolarHBondContact O-N 2.65Å; K68-K70 VanDerWaalsContact O-N 3.14Å; K70-F72 VanDerWaalsContact C-N 3.31Å; K70-F72 HydrophobicContact CB-CE2 4.49Å; K70-F72 HydrophobicContact CD-CE2 4.23Å; K70-F72 HydrophobicContact CD-CZ 4.28Å; K70-F72 WeakPolarHBondContact O-CD2 3.35Å; K70-F72 PolarHBondContact O-N 3.16Å; K70-F72 VanDerWaalsContact O-N 3.16Å |
| 71 | C | 86.4 | Confident | 87.9 | Confident | 34 Ų | 34 | 89.9 Ų | 89.9 | 23% | 0.23 | 44% | 0.442 | C | S | . | . | trans | -88.4 | 67.7 | -179.8 | -173 | 0 | 0 | 0 | 0 | 110.1 | W66 P67 K68 | W66-C71 HydrophobicContact CG-CB 4.49Å; P67-C71 PolarHBondContact O-N 2.99Å; P67-C71 VanDerWaalsContact O-N 3.12Å; K68-C71 PolarHBondContact O-N 2.77Å; K68-C71 VanDerWaalsContact O-N 3.15Å | ||
| 72 | F | 90 | Very high | 88.5 | Confident | 90 Ų | 90 | 89 Ų | 89 | 40% | 0.395 | 43% | 0.431 | S | S | . | . | trans | -73.9 | 144.4 | 178.6 | -52.4 | -72.1 | 0 | 0 | 0 | 111.6 | K70 Y74 L75 Y76 | K70-F72 VanDerWaalsContact C-N 3.31Å; K70-F72 HydrophobicContact CB-CE2 4.49Å; K70-F72 HydrophobicContact CD-CE2 4.23Å; K70-F72 HydrophobicContact CD-CZ 4.28Å; K70-F72 WeakPolarHBondContact O-CD2 3.35Å; K70-F72 PolarHBondContact O-N 3.16Å; K70-F72 VanDerWaalsContact O-N 3.16Å; F72-Y74 VanDerWaalsContact C-N 3.32Å; F72-Y74 HydrophobicContact CB-CD1 3.7Å; F72-Y74 HydrophobicContact CB-CE1 3.31Å; F72-Y74 HydrophobicContact CD2-CE1 4.21Å; F72-Y74 AromaticContact CG-CE1 3.82Å; F72-Y74 HydrophobicContact CG-CE1 3.82Å; F72-Y74 PolarHBondContact O-N 3.25Å; F72-L75 HydrophobicContact CB-CD1 4.47Å; F72-L75 HydrophobicContact CB-CG 4.46Å; F72-L75 HydrophobicContact CD2-CD1 3.79Å; F72-L75 PolarHBondContact O-N 3.3Å; F72-L75 VanDerWaalsContact O-N 3.13Å; F72-Y76 PolarHBondContact O-N 3.12Å | ||
| 73 | D | 90.6 | Very high | 88.6 | Confident | 140 Ų | 140 | 87.1 Ų | 87.1 | 75% | 0.749 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -56 | -42.4 | -175.1 | -68.4 | -26 | 0 | 0 | 0 | 113.6 | L75 Y76 R77 | D73-L75 PolarHBondContact O-N 3.13Å; D73-Y76 WeakPolarHBondContact O-CB 3.49Å; D73-Y76 PolarHBondContact O-N 2.77Å; D73-R77 WeakPolarHBondContact O-CG 3.26Å; D73-R77 PolarHBondContact O-N 2.82Å |
| 74 | Y | 93.9 | Very high | 88.4 | Confident | 145 Ų | 145 | 90.6 Ų | 90.6 | 57% | 0.569 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -64.3 | -41.8 | -179.6 | 68.1 | -87.4 | 0 | 0 | 0 | 111.7 | F72 Y76 R77 D78 | F72-Y74 VanDerWaalsContact C-N 3.32Å; F72-Y74 HydrophobicContact CB-CD1 3.7Å; F72-Y74 HydrophobicContact CB-CE1 3.31Å; F72-Y74 HydrophobicContact CD2-CE1 4.21Å; F72-Y74 AromaticContact CG-CE1 3.82Å; F72-Y74 HydrophobicContact CG-CE1 3.82Å; F72-Y74 PolarHBondContact O-N 3.25Å; Y74-Y76 VanDerWaalsContact C-N 3.34Å; Y74-Y76 PolarHBondContact O-N 3.07Å; Y74-R77 PolarHBondContact O-N 3.31Å; Y74-D78 PolarHBondContact O-N 3.07Å |
| 75 | L | 90.3 | Very high | 88.3 | Confident | 52 Ų | 52 | 93.1 Ų | 93.1 | 27% | 0.272 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -66.7 | -37.8 | 176 | -65.5 | -178.3 | 0 | 0 | 0 | 111.8 | W66 F72 D73 A79 | W66-L75 HydrophobicContact CH2-CB 3.87Å; W66-L75 HydrophobicContact CH2-CD1 4.35Å; W66-L75 HydrophobicContact CZ2-CB 3.97Å; W66-L75 HydrophobicContact CZ2-CD1 3.76Å; W66-L75 HydrophobicContact CZ2-CG 4.47Å; F72-L75 HydrophobicContact CB-CD1 4.47Å; F72-L75 HydrophobicContact CB-CG 4.46Å; F72-L75 HydrophobicContact CD2-CD1 3.79Å; F72-L75 PolarHBondContact O-N 3.3Å; F72-L75 VanDerWaalsContact O-N 3.13Å; D73-L75 PolarHBondContact O-N 3.13Å; L75-A79 WeakPolarHBondContact O-CB 3.48Å; L75-A79 PolarHBondContact O-N 2.83Å |
| 76 | Y | 90.4 | Very high | 87.9 | Confident | 87 Ų | 87 | 92.9 Ų | 92.9 | 34% | 0.341 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -61 | -46.8 | 176.1 | -174.3 | -96.5 | 0 | 0 | 0 | 110.9 | F72 D73 Y74 A79 E80 I92 | F72-Y76 PolarHBondContact O-N 3.12Å; D73-Y76 WeakPolarHBondContact O-CB 3.49Å; D73-Y76 PolarHBondContact O-N 2.77Å; Y74-Y76 VanDerWaalsContact C-N 3.34Å; Y74-Y76 PolarHBondContact O-N 3.07Å; Y76-A79 PolarHBondContact O-N 3.15Å; Y76-E80 HydrophobicContact CD1-CG 4.01Å; Y76-E80 HydrophobicContact CE1-CG 3.74Å; Y76-E80 WeakPolarHBondContact CE1-OE1 3.35Å; Y76-E80 WeakPolarHBondContact O-CG 3.16Å; Y76-E80 PolarHBondContact O-N 2.79Å; Y76-I92 HydrophobicContact CD2-CD1 3.84Å; Y76-I92 HydrophobicContact CD2-CG2 4.2Å; Y76-I92 HydrophobicContact CE2-CB 4.01Å; Y76-I92 HydrophobicContact CE2-CD1 3.84Å; Y76-I92 HydrophobicContact CE2-CG2 4.05Å |
| 77 | R | 91.3 | Very high | 86.9 | Confident | 177 Ų | 177 | 96.6 Ų | 96.6 | 67% | 0.668 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -64.5 | -42 | 178.8 | -68.8 | -146.5 | 138.7 | 174.4 | 0.1 | 113.7 | D73 Y74 A79 E80 T81 | D73-R77 WeakPolarHBondContact O-CG 3.26Å; D73-R77 PolarHBondContact O-N 2.82Å; Y74-R77 PolarHBondContact O-N 3.31Å; R77-A79 VanDerWaalsContact C-N 3.33Å; R77-E80 PolarHBondContact O-N 2.95Å; R77-T81 PolarHBondContact O-N 3.14Å; R77-T81 PolarHBondContact O-OG1 3.34Å |
| 78 | D | 91.6 | Very high | 85.9 | Confident | 109 Ų | 109 | 100.5 Ų | 100.5 | 58% | 0.583 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.9 | -43 | 176 | -74.2 | -5.4 | 0 | 0 | 0 | 110.5 | Y74 T81 L82 | Y74-D78 PolarHBondContact O-N 3.07Å; D78-T81 PolarHBondContact O-N 2.98Å; D78-L82 VanDerWaalsContact O-CB 3.3Å; D78-L82 WeakPolarHBondContact O-CB 3.35Å; D78-L82 PolarHBondContact O-N 2.64Å |
| 79 | A | 89.1 | Confident | 85.3 | Confident | 13 Ų | 13 | 98.2 Ų | 98.2 | 11% | 0.107 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -65.3 | -41.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | W66 L75 Y76 R77 T81 L82 L83 I92 | W66-A79 HydrophobicContact CZ3-CB 4.12Å; L75-A79 WeakPolarHBondContact O-CB 3.48Å; L75-A79 PolarHBondContact O-N 2.83Å; Y76-A79 PolarHBondContact O-N 3.15Å; R77-A79 VanDerWaalsContact C-N 3.33Å; A79-T81 PolarHBondContact O-N 3.21Å; A79-L82 PolarHBondContact O-N 2.79Å; A79-L83 WeakPolarHBondContact O-CB 3.24Å; A79-L83 WeakPolarHBondContact O-CG 3.42Å; A79-L83 PolarHBondContact O-N 2.75Å; A79-I92 HydrophobicContact CB-CD1 3.61Å |
| 80 | E | 87.6 | Confident | 85.3 | Confident | 81 Ų | 81 | 95.7 Ų | 95.7 | 38% | 0.379 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -56.4 | -50.9 | 173.2 | -77.1 | -174.5 | 135.2 | 0 | 0 | 110.8 | Y76 R77 L82 L83 R84 | Y76-E80 HydrophobicContact CD1-CG 4.01Å; Y76-E80 HydrophobicContact CE1-CG 3.74Å; Y76-E80 WeakPolarHBondContact CE1-OE1 3.35Å; Y76-E80 WeakPolarHBondContact O-CG 3.16Å; Y76-E80 PolarHBondContact O-N 2.79Å; R77-E80 PolarHBondContact O-N 2.95Å; E80-L82 VanDerWaalsContact C-N 3.31Å; E80-L82 PolarHBondContact O-N 3Å; E80-L83 PolarHBondContact O-N 2.89Å; E80-R84 VanDerWaalsContact O-CG 3.26Å; E80-R84 WeakPolarHBondContact O-CG 3.36Å; E80-R84 PolarHBondContact O-N 3.4Å |
| 81 | T | 90 | Very high | 85.5 | Confident | 92 Ų | 92 | 92 Ų | 92 | 56% | 0.564 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -60.6 | -43.3 | -179.7 | -57.5 | 0 | 0 | 0 | 0 | 111.4 | R77 D78 A79 R84 N85 | R77-T81 PolarHBondContact O-N 3.14Å; R77-T81 PolarHBondContact O-OG1 3.34Å; D78-T81 PolarHBondContact O-N 2.98Å; A79-T81 PolarHBondContact O-N 3.21Å; T81-R84 PolarHBondContact O-N 3.04Å; T81-N85 PolarHBondContact O-ND2 2.88Å |
| 82 | L | 88.1 | Confident | 85.6 | Confident | 94 Ų | 94 | 91.2 Ų | 91.2 | 49% | 0.492 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -60.2 | -49.7 | 177.2 | -179.5 | 64.4 | 0 | 0 | 0 | 111.3 | D78 A79 E80 R84 N85 Y86 | D78-L82 VanDerWaalsContact O-CB 3.3Å; D78-L82 WeakPolarHBondContact O-CB 3.35Å; D78-L82 PolarHBondContact O-N 2.64Å; A79-L82 PolarHBondContact O-N 2.79Å; E80-L82 VanDerWaalsContact C-N 3.31Å; E80-L82 PolarHBondContact O-N 3Å; L82-R84 PolarHBondContact O-N 3.33Å; L82-N85 PolarHBondContact O-N 3.36Å; L82-N85 VanDerWaalsContact O-N 3.15Å; L82-Y86 HydrophobicContact CD1-CE2 3.65Å; L82-Y86 HydrophobicContact CG-CE2 3.78Å; L82-Y86 WeakPolarHBondContact O-CD2 3.25Å; L82-Y86 WeakPolarHBondContact O-CE2 3.32Å |
| 83 | L | 86.1 | Confident | 85.5 | Confident | 34 Ų | 34 | 88 Ų | 88 | 18% | 0.178 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -65.9 | -24.2 | -176 | -70.4 | 171 | 0 | 0 | 0 | 113.4 | A79 E80 N85 Y86 A90 I92 | A79-L83 WeakPolarHBondContact O-CB 3.24Å; A79-L83 WeakPolarHBondContact O-CG 3.42Å; A79-L83 PolarHBondContact O-N 2.75Å; E80-L83 PolarHBondContact O-N 2.89Å; L83-N85 PolarHBondContact O-N 3.4Å; L83-Y86 PolarHBondContact O-N 2.83Å; L83-A90 WeakPolarHBondContact CD1-O 3.46Å; L83-A90 HydrophobicContact CD2-CB 3.78Å; L83-I92 HydrophobicContact CD1-CD1 4.1Å; L83-I92 HydrophobicContact CD1-CG1 3.76Å |
| 84 | R | 83.9 | Confident | 85.4 | Confident | 169 Ų | 169 | 84.6 Ų | 84.6 | 64% | 0.638 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -64.9 | -25 | 174.9 | -67 | -72.4 | -75.8 | -161.1 | -4.7 | 113.4 | E80 T81 L82 | E80-R84 VanDerWaalsContact O-CG 3.26Å; E80-R84 WeakPolarHBondContact O-CG 3.36Å; E80-R84 PolarHBondContact O-N 3.4Å; T81-R84 PolarHBondContact O-N 3.04Å; L82-R84 PolarHBondContact O-N 3.33Å |
| 85 | N | 83.4 | Confident | 85 | Confident | 129 Ų | 129 | 82.1 Ų | 82.1 | 69% | 0.69 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | -7 | -175.3 | -63.7 | -39.7 | 0 | 0 | 0 | 114 | T81 L82 L83 | T81-N85 PolarHBondContact O-ND2 2.88Å; L82-N85 PolarHBondContact O-N 3.36Å; L82-N85 VanDerWaalsContact O-N 3.15Å; L83-N85 PolarHBondContact O-N 3.4Å |
| 86 | Y | 79.6 | Confident | 84.8 | Confident | 128 Ų | 128 | 86 Ų | 86 | 50% | 0.502 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -91.7 | 139.2 | -179 | -71.2 | -89.7 | 0 | 0 | 0 | 111.6 | L82 L83 I88 | L82-Y86 HydrophobicContact CD1-CE2 3.65Å; L82-Y86 HydrophobicContact CG-CE2 3.78Å; L82-Y86 WeakPolarHBondContact O-CD2 3.25Å; L82-Y86 WeakPolarHBondContact O-CE2 3.32Å; L83-Y86 PolarHBondContact O-N 2.83Å; Y86-I88 PolarHBondContact O-N 2.89Å |
| 87 | P | 69.8 | Low | 83.8 | Confident | 133 Ų | 133 | 85.6 Ų | 85.6 | 86% | 0.864 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -64.6 | -25.8 | -178.6 | 24.8 | -33.8 | 0 | 0 | 0 | 112.9 | ||
| 88 | I | 66.3 | Low | 82.5 | Confident | 112 Ų | 112 | 83.4 Ų | 83.4 | 57% | 0.574 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -112.2 | 109.9 | 166.2 | -58.1 | 172.6 | 0 | 0 | 0 | 105.7 | P61 V62 Y86 | P61-I88 HydrophobicContact CG-CG2 3.96Å; V62-I88 HydrophobicContact CG2-CG2 4.14Å; Y86-I88 PolarHBondContact O-N 2.89Å |
| 89 | Q | 74.6 | Confident | 81.1 | Confident | 53 Ų | 53 | 81 Ų | 81 | 25% | 0.248 | 43% | 0.431 | C | S | . | . | trans | -76.6 | 144.3 | 179 | -64.6 | 174.8 | -39.3 | 0 | 0 | 108.7 | H60 | H60-Q89 VanDerWaalsContact CB-O 3.26Å; H60-Q89 WeakPolarHBondContact CB-O 3.4Å; H60-Q89 WeakPolarHBondContact CE1-CB 3.06Å; H60-Q89 PolarHBondContact CE1-OE1 3.29Å; H60-Q89 WeakPolarHBondContact ND1-CB 3.29Å | ||
| 90 | A | 84.7 | Confident | 79.6 | Confident | 14 Ų | 14 | 85.9 Ų | 85.9 | 12% | 0.116 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 151.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | H60 V62 L83 | H60-A90 VanDerWaalsContact CD2-C 3.46Å; H60-A90 PolarHBondContact CD2-O 3.31Å; H60-A90 VanDerWaalsContact CD2-O 3.22Å; V62-A90 HydrophobicContact CB-CB 3.86Å; V62-A90 HydrophobicContact CG1-CB 3.85Å; V62-A90 CarbonylContact O-C 3.55Å; V62-A90 WeakPolarHBondContact O-CA 3.46Å; V62-A90 WeakPolarHBondContact O-CB 3.23Å; L83-A90 WeakPolarHBondContact CD1-O 3.46Å; L83-A90 HydrophobicContact CD2-CB 3.78Å |
| 91 | T | 87.4 | Confident | 78.1 | Confident | 47 Ų | 47 | 88 Ų | 88 | 29% | 0.288 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 133.5 | 173.8 | -64.6 | 0 | 0 | 0 | 0 | 110.3 | H60 V62 K63 L64 | H60-T91 VanDerWaalsContact CB-OG1 3.24Å; H60-T91 WeakPolarHBondContact CB-OG1 3.26Å; H60-T91 PolarHBondContact CD2-OG1 3.02Å; V62-T91 PolarHBondContact O-N 3.09Å; K63-T91 CarbonylContact C-O 3.43Å; K63-T91 WeakPolarHBondContact CA-O 2.94Å; L64-T91 PolarHBondContact N-O 3.17Å |
| 92 | I | 88.4 | Confident | 76.3 | Confident | 17 Ų | 17 | 92.3 Ų | 92.3 | 9% | 0.087 | 49% | 0.492 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 129.5 | 172.4 | -52.4 | 171.1 | 0 | 0 | 0 | 109.3 | L64 W66 Y76 A79 L83 | L64-I92 HydrophobicContact CD2-CG1 4.45Å; L64-I92 CarbonylContact O-C 3.51Å; L64-I92 WeakPolarHBondContact O-CA 3.29Å; W66-I92 HydrophobicContact CB-CG2 4.31Å; W66-I92 HydrophobicContact CE3-CG2 4.26Å; Y76-I92 HydrophobicContact CD2-CD1 3.84Å; Y76-I92 HydrophobicContact CD2-CG2 4.2Å; Y76-I92 HydrophobicContact CE2-CB 4.01Å; Y76-I92 HydrophobicContact CE2-CD1 3.84Å; Y76-I92 HydrophobicContact CE2-CG2 4.05Å; A79-I92 HydrophobicContact CB-CD1 3.61Å; L83-I92 HydrophobicContact CD1-CD1 4.1Å; L83-I92 HydrophobicContact CD1-CG1 3.76Å |
| 93 | C | 88.5 | Confident | 74.7 | Confident | 23 Ų | 23 | 95.7 Ų | 95.7 | 16% | 0.155 | 51% | 0.506 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 100.5 | -179.3 | -70.6 | 0 | 0 | 0 | 0 | 109.7 | L64 F65 W66 | L64-C93 PolarHBondContact O-N 3.21Å; F65-C93 WeakPolarHBondContact CA-O 3.49Å; F65-C93 HydrophobicContact CD1-CB 3.73Å; F65-C93 HydrophobicContact CE1-CB 3.8Å; F65-C93 HydrophobicContact CG-CB 4.45Å; W66-C93 PolarHBondContact N-O 3.3Å |
| 94 | P | 88.2 | Confident | 73 | Confident | 68 Ų | 68 | 97.6 Ų | 97.6 | 44% | 0.442 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 136.7 | 173.6 | -20.5 | 32.6 | 0 | 0 | 0 | 111.1 | W66 K68 | W66-P94 CarbonylContact O-C 3.53Å; W66-P94 VanDerWaalsContact O-CA 3.29Å; W66-P94 WeakPolarHBondContact O-CA 3.28Å; K68-P94 HydrophobicContact CG-CB 3.74Å |
| 95 | Y | 86.6 | Confident | 71.4 | Confident | 93 Ų | 93 | 97 Ų | 97 | 37% | 0.365 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 146.9 | 173.2 | 79.1 | -89.9 | 0 | 0 | 0 | 111.3 | F65 W66 P67 K68 N97 | F65-Y95 HydrophobicContact CB-CD1 4.12Å; W66-Y95 VanDerWaalsContact C-CE1 3.49Å; W66-Y95 VanDerWaalsContact O-CD1 3.25Å; W66-Y95 WeakPolarHBondContact O-CD1 3.21Å; W66-Y95 PolarHBondContact O-N 2.9Å; P67-Y95 HydrophobicContact CB-CE1 4.02Å; P67-Y95 HydrophobicContact CG-CE1 3.84Å; P67-Y95 WeakPolarHBondContact CG-OH 3.3Å; P67-Y95 VanDerWaalsContact N-CE1 3.27Å; K68-Y95 PolarHBondContact N-O 3.08Å; Y95-N97 HydrophobicContact CE2-CB 3.97Å; Y95-N97 PolarHBondContact O-N 3.18Å |
| 96 | E | 86 | Confident | 69.7 | Low | 134 Ų | 134 | 97.2 Ų | 97.2 | 63% | 0.626 | 54% | 0.539 | S | S | * | . | trans | -71.6 | 113.5 | 170.5 | -113.5 | 71.7 | -149.7 | 0 | 0 | 109 | K68 | K68-E96 HydrophobicContact CD-CG 4.44Å; K68-E96 WeakPolarHBondContact CD-OE1 3.5Å; K68-E96 VanDerWaalsContact CD-OE2 3.23Å; K68-E96 WeakPolarHBondContact CD-OE2 3.35Å; K68-E96 WeakPolarHBondContact CE-OE1 3.18Å; K68-E96 WeakPolarHBondContact CE-OE2 3.15Å; K68-E96 IonicContact NZ-OE1 2.79Å; K68-E96 PolarHBondContact NZ-OE1 3.29Å; K68-E96 IonicContact NZ-OE2 2.64Å; K68-E96 PolarHBondContact NZ-OE2 3.33Å | ||
| 97 | N | 68.8 | Low | 68.3 | Low | 78 Ų | 78 | 99.1 Ų | 99.1 | 42% | 0.417 | 55% | 0.552 | S | S | . | * | trans | -81.6 | 121.8 | 163.3 | -165.1 | 49.6 | 0 | 0 | 0 | 106.6 | P67 Y95 S99 | P67-N97 HydrophobicContact CB-CB 4.38Å; Y95-N97 HydrophobicContact CE2-CB 3.97Å; Y95-N97 PolarHBondContact O-N 3.18Å; N97-S99 WeakPolarHBondContact ND2-CB 3.46Å; N97-S99 PolarHBondContact O-N 2.88Å | ||
| 98 | S | 64.1 | Low | 67.2 | Low | 130 Ų | 130 | 99.6 Ų | 99.6 | 91% | 0.909 | 55% | 0.547 | S | S | * | . | trans | -67.6 | 70.8 | 162.3 | -81.1 | 0 | 0 | 0 | 0 | 108.4 | S100 | S98-S100 PolarHBondContact O-N 3.21Š| ||
| 99 | S | 61.3 | Low | 66.5 | Low | 58 Ų | 58 | 103.3 Ų | 103.3 | 41% | 0.406 | 56% | 0.562 | S | S | . | * | trans | -85.6 | 98.7 | 174.7 | -158.6 | 0 | 0 | 0 | 0 | 105.9 | N97 D101 | N97-S99 WeakPolarHBondContact ND2-CB 3.46Å; N97-S99 PolarHBondContact O-N 2.88Å; S99-D101 PolarHBondContact O-N 2.73Å | ||
| 100 | S | 58.5 | Low | 65.4 | Low | 117 Ų | 117 | 109.2 Ų | 109.2 | 82% | 0.818 | 59% | 0.59 | S | S | * | * | trans | -64.9 | 86.5 | 159.3 | -167.1 | 0 | 0 | 0 | 0 | 106 | S98 E102 | S98-S100 PolarHBondContact O-N 3.21Å; S100-E102 PolarHBondContact O-N 3.39Å | ||
| 101 | D | 55.4 | Low | 64.2 | Low | 126 Ų | 126 | 117.7 Ų | 117.7 | 67% | 0.674 | 63% | 0.627 | S | S | * | * | trans | -85.9 | 99.6 | 179.3 | -150.9 | 34.4 | 0 | 0 | 0 | 106 | S99 E103 | S99-D101 PolarHBondContact O-N 2.73Å; D101-E103 PolarHBondContact O-N 3.11Å; D101-E103 VanDerWaalsContact O-N 3.13Å | ||
| 102 | E | 52.3 | Low | 62.6 | Low | 181 Ų | 181 | 120.7 Ų | 120.7 | 85% | 0.846 | 65% | 0.646 | S | S | * | * | trans | -69.3 | 101.9 | 163.4 | -73 | -126.3 | 178.4 | 0 | 0 | 106.8 | S100 G104 | S100-E102 PolarHBondContact O-N 3.39Å; E102-G104 PolarHBondContact O-N 3.47Å | ||
| 103 | E | 55.4 | Low | 61 | Low | 166 Ų | 166 | 126.9 Ų | 126.9 | 78% | 0.776 | 68% | 0.684 | S | S | * | * | trans | -60.3 | 98.3 | 167.1 | -70.8 | -175.9 | 173.7 | 0 | 0 | 108.3 | D101 E105 | D101-E103 PolarHBondContact O-N 3.11Å; D101-E103 VanDerWaalsContact O-N 3.13Å; E103-E105 PolarHBondContact O-N 3.15Å | ||
| 104 | G | 50.1 | Low | 59.6 | Low | 73 Ų | 73 | 129.2 Ų | 129.2 | 75% | 0.753 | 71% | 0.711 | S | S | * | * | trans | -73.9 | 94.5 | 159.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | E102 D106 | E102-G104 PolarHBondContact O-N 3.47Å; G104-D106 PolarHBondContact O-N 3.17Å; G104-D106 VanDerWaalsContact O-N 3.15Å | ||
| 105 | E | 49.5 | Very low | 57.3 | Low | 158 Ų | 158 | 139.4 Ų | 139.4 | 74% | 0.738 | 75% | 0.749 | S | S | * | * | trans | -55.3 | 110.6 | 162.9 | -76.8 | 176 | 155.5 | 0 | 0 | 108.6 | E103 E107 | E103-E105 PolarHBondContact O-N 3.15Å; E105-E107 PolarHBondContact O-N 2.99Å | ||
| 106 | D | 49.2 | Very low | 55.9 | Low | 133 Ų | 133 | 141.8 Ų | 141.8 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | trans | -91.4 | 85.5 | 167.7 | -162.7 | -10.2 | 0 | 0 | 0 | 107 | G104 D108 | G104-D106 PolarHBondContact O-N 3.17Å; G104-D106 VanDerWaalsContact O-N 3.15Å; D106-D108 VanDerWaalsContact C-N 3.31Å; D106-D108 PolarHBondContact O-N 3.13Å | ||
| 107 | E | 49 | Very low | 54.3 | Low | 168 Ų | 168 | 142.2 Ų | 142.2 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | trans | -79.9 | 77.2 | 169.8 | -74.6 | -172.5 | 162.3 | 0 | 0 | 109.7 | E105 | E105-E107 PolarHBondContact O-N 2.99Š| ||
| 108 | D | 47.7 | Very low | 53.5 | Low | 142 Ų | 142 | 145.7 Ų | 145.7 | 76% | 0.759 | 80% | 0.796 | S | S | * | * | trans | -101.7 | 75.3 | 164.8 | -84 | -22.4 | 0 | 0 | 0 | 109.4 | D106 | D106-D108 VanDerWaalsContact C-N 3.31Å; D106-D108 PolarHBondContact O-N 3.13Å | ||
| 109 | E | 51.2 | Low | 52.9 | Low | 191 Ų | 191 | 146.6 Ų | 146.6 | 89% | 0.893 | 79% | 0.789 | S | S | * | * | trans | -90.1 | 102.2 | 165 | -71.6 | -165.1 | 179.1 | 0 | 0 | 110.5 | E111 | E109-E111 PolarHBondContact O-N 3.43Š| ||
| 110 | E | 52.1 | Low | 52.3 | Low | 177 Ų | 177 | 152.2 Ų | 152.2 | 83% | 0.827 | 81% | 0.813 | S | S | * | * | trans | -64.3 | 96.8 | 173.4 | -171.5 | -178.4 | -156.9 | 0 | 0 | 111.7 | T112 | E110-T112 PolarHBondContact O-N 3.42Š| ||
| 111 | E | 57.7 | Low | 51.9 | Low | 191 Ų | 191 | 154.5 Ų | 154.5 | 89% | 0.893 | 81% | 0.813 | S | S | * | * | trans | -83.3 | 84.4 | 168.1 | -168.7 | 178.3 | -163.6 | 0 | 0 | 110.6 | E109 | E109-E111 PolarHBondContact O-N 3.43Š| ||
| 112 | T | 54.3 | Low | 51.7 | Low | 111 Ų | 111 | 156.6 Ų | 156.6 | 68% | 0.681 | 82% | 0.822 | S | S | * | * | trans | -138.9 | 99.1 | 156.1 | 64.5 | 0 | 0 | 0 | 0 | 112.6 | E110 | E110-T112 PolarHBondContact O-N 3.42Š| ||
| 113 | V | 55.3 | Low | 51.6 | Low | 147 Ų | 147 | 154.7 Ų | 154.7 | 89% | 0.891 | 82% | 0.821 | S | S | * | * | trans | -175.4 | 112.2 | 151.8 | 138.6 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 114 | G | 59.7 | Low | 51.3 | Low | 71 Ų | 71 | 153.8 Ų | 153.8 | 73% | 0.732 | 82% | 0.824 | S | S | * | * | 101.1 | 85.2 | 52 | 0 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 115 | K | 39.9 | Very low | 51.4 | Low | 283 Ų | 283 | 161.1 Ų | 161.1 | 100% | 1.23 | 83% | 0.831 | S | S | * | * | trans | -158.5 | 0 | 153 | -159.3 | 78.4 | 134 | -172.3 | 0 | 111.4 |
Retrieved 115 of 115 residues in 150.3 ms
(Link to these results)