| 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 | 38.7 | Very low | 44.1 | Very low | 236 Ų | 236 | 139.7 Ų | 139.7 | 100% | 1.163 | 85% | 0.845 | S | S | * | * | 0 | 96.3 | 0 | -70.3 | 154.9 | 177.4 | 0 | 0 | 105.8 | |||||
| 2 | V | 44.6 | Very low | 44.1 | Very low | 133 Ų | 133 | 137.3 Ų | 137.3 | 81% | 0.806 | 84% | 0.835 | S | S | * | * | 66.4 | 115.6 | 94.8 | 167.2 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 3 | R | 48.6 | Very low | 43.9 | Very low | 242 Ų | 242 | 135.8 Ų | 135.8 | 91% | 0.913 | 83% | 0.834 | S | S | * | * | cis | -155.4 | 150.4 | 32.7 | -102.3 | 151.7 | 174 | -128.2 | -1.2 | 106.6 | ||||
| 4 | G | 43.7 | Very low | 43.4 | Very low | 79 Ų | 79 | 138.7 Ų | 138.7 | 81% | 0.814 | 83% | 0.833 | S | S | * | * | cis | 120 | 122.2 | 48.1 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 5 | G | 51.2 | Low | 43.6 | Very low | 72 Ų | 72 | 138.5 Ų | 138.5 | 74% | 0.742 | 83% | 0.833 | S | S | * | * | trans | -96.1 | 171.9 | -180 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 6 | D | 50.8 | Low | 43.6 | Very low | 162 Ų | 162 | 137.1 Ų | 137.1 | 87% | 0.866 | 83% | 0.832 | S | S | * | * | trans | -168.4 | 120 | 155.4 | -91.7 | -48.9 | 0 | 0 | 0 | 105.5 | ||||
| 7 | M | 48 | Very low | 43.4 | Very low | 177 Ų | 177 | 133.9 Ų | 133.9 | 87% | 0.872 | 82% | 0.823 | S | S | * | * | 79 | 113.8 | 60.8 | -165.7 | 84.9 | 105.8 | 0 | 0 | 113.4 | |||||
| 8 | G | 40.6 | Very low | 43.3 | Very low | 67 Ų | 67 | 133.7 Ų | 133.7 | 69% | 0.691 | 83% | 0.828 | S | S | * | * | trans | 68.5 | 147.5 | 155.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 9 | C | 41.8 | Very low | 42.9 | Very low | 133 Ų | 133 | 130.8 Ų | 130.8 | 90% | 0.899 | 83% | 0.827 | S | S | * | * | cis | -156.7 | 145.2 | 29.5 | -73.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 10 | I | 40.5 | Very low | 42.7 | Very low | 174 Ų | 174 | 129.6 Ų | 129.6 | 89% | 0.892 | 83% | 0.83 | S | S | * | * | trans | -68.5 | 135.9 | 154.6 | -72.4 | 179.4 | 0 | 0 | 0 | 108.1 | ||||
| 11 | G | 36.6 | Very low | 42.4 | Very low | 62 Ų | 62 | 128.3 Ų | 128.3 | 64% | 0.639 | 83% | 0.831 | S | S | * | * | trans | -163.4 | 115.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 12 | P | 43.8 | Very low | 42.2 | Very low | 111 Ų | 111 | 121.3 Ų | 121.3 | 72% | 0.721 | 81% | 0.811 | S | S | * | * | trans | -77.2 | 130.8 | 172.4 | 30.7 | -29.5 | 0 | 0 | 0 | 109.5 | E14 | P12-E14 VanDerWaalsContact C-N 3.29Å; P12-E14 PolarHBondContact O-N 3.24Å | ||
| 13 | S | 41.9 | Very low | 41.8 | Very low | 118 Ų | 118 | 121.7 Ų | 121.7 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | trans | -79.1 | 83 | 171.2 | -50.2 | 0 | 0 | 0 | 0 | 109.4 | T15 | S13-T15 PolarHBondContact O-N 3.01Š| ||
| 14 | E | 36.8 | Very low | 41 | Very low | 176 Ų | 176 | 115 Ų | 115 | 82% | 0.822 | 81% | 0.809 | S | S | * | * | trans | -59.2 | 111.8 | 157 | -65.6 | -108.9 | 100 | 0 | 0 | 107.9 | P12 | P12-E14 VanDerWaalsContact C-N 3.29Å; P12-E14 PolarHBondContact O-N 3.24Å | ||
| 15 | T | 46.1 | Very low | 41 | Very low | 136 Ų | 136 | 118.8 Ų | 118.8 | 83% | 0.834 | 81% | 0.81 | S | S | * | * | trans | -98.5 | 89.4 | 166.5 | -53.7 | 0 | 0 | 0 | 0 | 107.8 | S13 | S13-T15 PolarHBondContact O-N 3.01Š| ||
| 16 | S | 44 | Very low | 40.4 | Very low | 115 Ų | 115 | 121.6 Ų | 121.6 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | -94.5 | 113.1 | 161.5 | 179.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 17 | A | 40.5 | Very low | 39.5 | Very low | 84 Ų | 84 | 117.4 Ų | 117.4 | 69% | 0.694 | 81% | 0.81 | S | S | * | * | trans | -174.2 | 107.3 | 155.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 18 | S | 41.1 | Very low | 38.7 | Very low | 129 Ų | 129 | 115.7 Ų | 115.7 | 90% | 0.902 | 81% | 0.809 | S | S | * | * | 95.1 | 100.2 | 89.3 | -168.7 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 19 | G | 36.5 | Very low | 38.3 | Very low | 79 Ų | 79 | 121.9 Ų | 121.9 | 81% | 0.814 | 82% | 0.82 | S | S | * | * | trans | -173 | 47.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 20 | A | 37.4 | Very low | 38 | Very low | 106 Ų | 106 | 118.3 Ų | 118.3 | 88% | 0.876 | 81% | 0.806 | S | S | * | * | trans | -72.9 | 121 | 166.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 21 | A | 36.7 | Very low | 38.5 | Very low | 103 Ų | 103 | 116 Ų | 116 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | trans | -154.9 | 79.8 | 155.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 22 | A | 35.6 | Very low | 39 | Very low | 90 Ų | 90 | 119.3 Ų | 119.3 | 74% | 0.744 | 81% | 0.812 | S | S | * | * | trans | -78.8 | 150.7 | 154.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 23 | V | 34.9 | Very low | 38.2 | Very low | 141 Ų | 141 | 117.1 Ų | 117.1 | 86% | 0.855 | 81% | 0.81 | S | S | * | * | trans | 80.3 | 106.1 | 159.5 | -144.3 | 0 | 0 | 0 | 0 | 118 | ||||
| 24 | A | 33.2 | Very low | 37.9 | Very low | 100 Ų | 100 | 119.1 Ų | 119.1 | 83% | 0.826 | 81% | 0.811 | S | S | * | * | -167.5 | 120.3 | 122.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 25 | L | 42 | Very low | 37.8 | Very low | 160 Ų | 160 | 115.1 Ų | 115.1 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | trans | -61.2 | 165.8 | 161.8 | -66.5 | 157.7 | 0 | 0 | 0 | 111.1 | ||||
| 26 | P | 39.8 | Very low | 37.3 | Very low | 131 Ų | 131 | 115.8 Ų | 115.8 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | trans | -121.6 | 124.8 | 132.3 | 29.9 | -18.8 | 0 | 0 | 0 | 111.4 | ||||
| 27 | G | 31.8 | Very low | 36.5 | Very low | 73 Ų | 73 | 117.8 Ų | 117.8 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | trans | 86.5 | 84.2 | 133.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 28 | V | 32 | Very low | 36.2 | Very low | 141 Ų | 141 | 121.5 Ų | 121.5 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | trans | -60.8 | 130.1 | 149.7 | 166.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 29 | Q | 31.1 | Very low | 35.8 | Very low | 198 Ų | 198 | 120.9 Ų | 120.9 | 93% | 0.925 | 79% | 0.79 | S | S | * | * | trans | -140.8 | 113.6 | 141.2 | -157.8 | 166.7 | 99.3 | 0 | 0 | 107.8 | ||||
| 30 | G | 35 | Very low | 35.7 | Very low | 58 Ų | 58 | 124.9 Ų | 124.9 | 60% | 0.598 | 79% | 0.792 | S | S | * | * | trans | -83.6 | 178.2 | -164.6 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 31 | P | 52.1 | Low | 35.5 | Very low | 126 Ų | 126 | 124 Ų | 124 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -87.9 | 165.8 | 171.6 | 37.4 | -31.7 | 0 | 0 | 0 | 110.9 | ||||
| 32 | P | 45.9 | Very low | 35.5 | Very low | 131 Ų | 131 | 127 Ų | 127 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | -149.7 | 158 | 111.8 | 35.6 | -19.2 | 0 | 0 | 0 | 114.1 | |||||
| 33 | G | 27.9 | Very low | 35.3 | Very low | 65 Ų | 65 | 129.1 Ų | 129.1 | 67% | 0.67 | 79% | 0.789 | S | S | * | * | trans | 158.7 | 80.5 | 157.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 34 | N | 36.2 | Very low | 35.6 | Very low | 159 Ų | 159 | 128 Ų | 128 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | trans | 66.4 | 109.9 | 141.9 | -64.4 | -24.5 | 0 | 0 | 0 | 119.3 | ||||
| 35 | A | 33.1 | Very low | 35.5 | Very low | 92 Ų | 92 | 131.7 Ų | 131.7 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | 72.7 | 139.1 | 84.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 36 | Q | 36.3 | Very low | 35.4 | Very low | 151 Ų | 151 | 132.7 Ų | 132.7 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | cis | -170.9 | 155.4 | -4.3 | -130.5 | -136.2 | 1.2 | 0 | 0 | 105.4 | ||||
| 37 | F | 27.1 | Very low | 35 | Very low | 157 Ų | 157 | 131.5 Ų | 131.5 | 69% | 0.689 | 78% | 0.775 | S | S | * | * | trans | 78.8 | 143.9 | 141.5 | -98.8 | -133.2 | 0 | 0 | 0 | 124.5 | ||||
| 38 | Q | 34.5 | Very low | 35 | Very low | 161 Ų | 161 | 139.3 Ų | 139.3 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | trans | 90.5 | 90.5 | 148.5 | -86.6 | 170.1 | 37.8 | 0 | 0 | 120.7 | ||||
| 39 | T | 31.7 | Very low | 35 | Very low | 117 Ų | 117 | 137.3 Ų | 137.3 | 72% | 0.718 | 77% | 0.773 | S | S | * | * | 34.8 | 129.5 | 99.7 | -53.8 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 40 | L | 35.2 | Very low | 35.7 | Very low | 163 Ų | 163 | 133.9 Ų | 133.9 | 85% | 0.853 | 77% | 0.768 | S | S | * | * | trans | 67.7 | 115 | 155.9 | -85.9 | 157.9 | 0 | 0 | 0 | 118 | ||||
| 41 | A | 33.5 | Very low | 35.9 | Very low | 87 Ų | 87 | 136.1 Ų | 136.1 | 72% | 0.719 | 78% | 0.775 | S | S | * | * | 168 | 129.5 | 110.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | T43 | A41-T43 PolarHBondContact O-N 3.4Š| |||
| 42 | L | 35.8 | Very low | 35.7 | Very low | 167 Ų | 167 | 135.2 Ų | 135.2 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | trans | -48.7 | 123.5 | 154.7 | -105.3 | 145.5 | 0 | 0 | 0 | 110.1 | ||||
| 43 | T | 31.2 | Very low | 35.4 | Very low | 133 Ų | 133 | 140.5 Ų | 140.5 | 82% | 0.816 | 77% | 0.772 | S | S | * | * | trans | -153.7 | 116.3 | 148.7 | -17.7 | 0 | 0 | 0 | 0 | 111.8 | A41 | A41-T43 PolarHBondContact O-N 3.4Š| ||
| 44 | V | 41.8 | Very low | 35.8 | Very low | 118 Ų | 118 | 142.6 Ų | 142.6 | 72% | 0.715 | 78% | 0.776 | S | S | * | * | trans | -43.5 | 128.5 | 161.2 | 165.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 45 | H | 32.2 | Very low | 36.3 | Very low | 177 Ų | 177 | 142.2 Ų | 142.2 | 82% | 0.819 | 77% | 0.774 | S | S | * | * | trans | -140 | 101.6 | 149.4 | -141.8 | -105.4 | 0 | 0 | 0 | 112.4 | ||||
| 46 | K | 39.8 | Very low | 37.3 | Very low | 182 Ų | 182 | 143.6 Ų | 143.6 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | trans | -58.1 | 126.4 | 163 | 170.8 | 172.7 | 174 | 171.6 | 0 | 109.6 | ||||
| 47 | S | 30.2 | Very low | 37.8 | Very low | 105 Ų | 105 | 141.3 Ų | 141.3 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | trans | -144.9 | 88.4 | 161.7 | -85.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 48 | R | 31.7 | Very low | 38.8 | Very low | 238 Ų | 238 | 138.6 Ų | 138.6 | 90% | 0.898 | 78% | 0.78 | S | S | * | * | trans | 17.8 | 113.4 | 135.9 | -134.5 | 176.3 | -157.8 | 169.2 | 3.9 | 117.5 | ||||
| 49 | S | 33.5 | Very low | 39.1 | Very low | 98 Ų | 98 | 137.5 Ų | 137.5 | 69% | 0.685 | 78% | 0.784 | S | S | * | * | trans | -65.8 | 158.4 | 152.7 | -172.6 | 0 | 0 | 0 | 0 | 111.2 | S51 | S49-S51 PolarHBondContact OG-N 2.9Š| ||
| 50 | P | 44.9 | Very low | 39.6 | Very low | 126 Ų | 126 | 134.9 Ų | 134.9 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | -137.1 | 136.2 | 106.3 | 32.7 | -17.6 | 0 | 0 | 0 | 115.2 | |||||
| 51 | S | 38.9 | Very low | 39.8 | Very low | 105 Ų | 105 | 132.6 Ų | 132.6 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | trans | -14.4 | 178 | 152.1 | -101.8 | 0 | 0 | 0 | 0 | 120.9 | S49 | S49-S51 PolarHBondContact OG-N 2.9Š| ||
| 52 | P | 49.3 | Very low | 41.3 | Very low | 107 Ų | 107 | 133.4 Ų | 133.4 | 70% | 0.695 | 77% | 0.774 | S | S | * | * | cis | -139.6 | 142.4 | -19.3 | 32 | -12.6 | 0 | 0 | 0 | 113.7 | ||||
| 53 | R | 38.8 | Very low | 42.7 | Very low | 242 Ų | 242 | 130.1 Ų | 130.1 | 91% | 0.913 | 76% | 0.763 | S | S | * | * | trans | -144.8 | 104.8 | 154 | -83 | -164.3 | -177.6 | 153.9 | 1.3 | 111.5 | ||||
| 54 | S | 35.8 | Very low | 43.9 | Very low | 109 Ų | 109 | 130 Ų | 130 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | trans | 32.2 | 111.6 | 140.2 | 55.4 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 55 | L | 47.4 | Very low | 44.6 | Very low | 151 Ų | 151 | 130.9 Ų | 130.9 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | trans | -51 | 156.8 | 160.9 | -127.2 | 78.3 | 0 | 0 | 0 | 113.1 | P57 | L55-P57 HydrophobicContact CD2-CB 4.24Š| ||
| 56 | P | 53.9 | Low | 45.8 | Very low | 122 Ų | 122 | 126.3 Ų | 126.3 | 79% | 0.792 | 75% | 0.747 | S | S | * | * | -131.2 | 167.2 | 91.1 | 32.2 | -17.6 | 0 | 0 | 0 | 113.8 | |||||
| 57 | P | 47.6 | Very low | 46.7 | Very low | 103 Ų | 103 | 121.6 Ų | 121.6 | 67% | 0.669 | 74% | 0.742 | S | S | * | * | trans | -86.7 | 155.7 | -152.7 | 34 | -33.2 | 0 | 0 | 0 | 113.8 | L55 V59 | L55-P57 HydrophobicContact CD2-CB 4.24Å; P57-V59 PolarHBondContact O-N 3.32Å | ||
| 58 | A | 46.2 | Very low | 48 | Very low | 100 Ų | 100 | 124.2 Ų | 124.2 | 83% | 0.826 | 75% | 0.745 | S | S | * | * | trans | -44.6 | 120.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 59 | V | 41.3 | Very low | 49.3 | Very low | 137 Ų | 137 | 117.9 Ų | 117.9 | 83% | 0.83 | 73% | 0.728 | S | S | * | * | trans | -105.8 | 77.7 | 150.1 | -174.1 | 0 | 0 | 0 | 0 | 105.7 | P57 C61 | P57-V59 PolarHBondContact O-N 3.32Å; V59-C61 PolarHBondContact O-N 3.14Å | ||
| 60 | G | 42.1 | Very low | 50.6 | Low | 63 Ų | 63 | 118.8 Ų | 118.8 | 65% | 0.649 | 72% | 0.721 | S | S | * | * | trans | -68 | 112.3 | 163.6 | 0 | 0 | 0 | 0 | 0 | 107.3 | P62 | G60-P62 WeakPolarHBondContact O-CD 3.27Š| ||
| 61 | C | 40.8 | Very low | 51.2 | Low | 114 Ų | 114 | 120 Ų | 120 | 77% | 0.77 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 121.2 | 163.6 | -70.9 | 0 | 0 | 0 | 0 | 107.9 | V59 | V59-C61 PolarHBondContact O-N 3.14Š|
| 62 | P | 64.1 | Low | 52.1 | Low | 104 Ų | 104 | 120.1 Ų | 120.1 | 68% | 0.675 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 137.5 | 165.6 | 26.9 | -30.6 | 0 | 0 | 0 | 107.5 | G60 | G60-P62 WeakPolarHBondContact O-CD 3.27Š|
| 63 | P | 64.6 | Low | 52.4 | Low | 99 Ų | 99 | 118.9 Ų | 118.9 | 64% | 0.643 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 149.3 | 170 | 25.9 | -33.2 | 0 | 0 | 0 | 109.1 | Q65 | P63-Q65 PolarHBondContact O-N 3.34Š|
| 64 | P | 57 | Low | 53.2 | Low | 130 Ų | 130 | 111.4 Ų | 111.4 | 84% | 0.844 | 69% | 0.686 | S | S | * | * | trans | -58.5 | 101.5 | 176 | 23.1 | -31.4 | 0 | 0 | 0 | 109.2 | ||||
| 65 | Q | 56.3 | Low | 54.2 | Low | 137 Ų | 137 | 110.5 Ų | 110.5 | 64% | 0.64 | 67% | 0.673 | S | S | * | * | trans | -66.3 | 128.3 | 176.4 | -67.6 | -91.6 | 29.1 | 0 | 0 | 107.7 | P63 A67 | P63-Q65 PolarHBondContact O-N 3.34Å; Q65-A67 PolarHBondContact O-N 2.94Å | ||
| 66 | P | 58 | Low | 54.6 | Low | 80 Ų | 80 | 108.1 Ų | 108.1 | 52% | 0.519 | 67% | 0.666 | S | S | . | * | trans | -64.7 | 102.9 | 171.9 | 25.7 | -30.1 | 0 | 0 | 0 | 108.1 | M68 L69 | P66-M68 PolarHBondContact O-N 2.85Å; P66-L69 HydrophobicContact CG-CD1 4.31Å; P66-L69 HydrophobicContact CG-CG 4.48Å; P66-L69 PolarHBondContact O-N 3.43Å | ||
| 67 | A | 58.8 | Low | 54.6 | Low | 83 Ų | 83 | 109.4 Ų | 109.4 | 69% | 0.686 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.8 | -7.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q65 | Q65-A67 PolarHBondContact O-N 2.94Š|
| 68 | M | 56.3 | Low | 55 | Low | 161 Ų | 161 | 112.6 Ų | 112.6 | 79% | 0.793 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | -22 | 176.1 | -71.8 | -93.2 | -66.2 | 0 | 0 | 113.8 | P66 | P66-M68 PolarHBondContact O-N 2.85Š|
| 69 | L | 60.1 | Low | 55.6 | Low | 105 Ų | 105 | 114 Ų | 114 | 55% | 0.55 | 67% | 0.669 | S | S | . | * | S | Bend | trans | -91.8 | -10.8 | -175.3 | -62.5 | -170.5 | 0 | 0 | 0 | 114.6 | P66 H71 L72 S73 | P66-L69 HydrophobicContact CG-CD1 4.31Å; P66-L69 HydrophobicContact CG-CG 4.48Å; P66-L69 PolarHBondContact O-N 3.43Å; L69-H71 VanDerWaalsContact C-N 3.27Å; L69-H71 PolarHBondContact O-N 3.23Å; L69-L72 HydrophobicContact CD2-CD1 4.34Å; L69-L72 PolarHBondContact O-N 2.87Å; L69-L72 VanDerWaalsContact O-N 3.13Å; L69-S73 PolarHBondContact O-N 3.48Å; L69-S73 PolarHBondContact O-OG 3.44Å |
| 70 | E | 60.3 | Low | 56.8 | Low | 116 Ų | 116 | 113.4 Ų | 113.4 | 54% | 0.542 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -65.1 | -29.5 | 175.8 | -75.2 | -68.6 | 122.9 | 0 | 0 | 112.8 | L72 S73 S74 | E70-L72 VanDerWaalsContact C-N 3.28Å; E70-L72 PolarHBondContact O-N 2.93Å; E70-S73 WeakPolarHBondContact CA-OG 3.31Å; E70-S73 PolarHBondContact O-OG 3.12Å; E70-S74 PolarHBondContact O-N 3.37Å |
| 71 | H | 57.9 | Low | 58 | Low | 151 Ų | 151 | 118.8 Ų | 118.8 | 70% | 0.699 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -73.4 | -19.8 | 175.3 | -85.4 | 82.7 | 0 | 0 | 0 | 113.4 | L69 | L69-H71 VanDerWaalsContact C-N 3.27Å; L69-H71 PolarHBondContact O-N 3.23Å |
| 72 | L | 58.7 | Low | 59.6 | Low | 109 Ų | 109 | 121.8 Ų | 121.8 | 57% | 0.571 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -96.7 | -28.7 | 178.8 | -57.8 | -172.5 | 0 | 0 | 0 | 111.7 | L69 E70 L75 | L69-L72 HydrophobicContact CD2-CD1 4.34Å; L69-L72 PolarHBondContact O-N 2.87Å; L69-L72 VanDerWaalsContact O-N 3.13Å; E70-L72 VanDerWaalsContact C-N 3.28Å; E70-L72 PolarHBondContact O-N 2.93Å; L72-L75 HydrophobicContact CD2-CD1 4.49Å |
| 73 | S | 54.9 | Low | 60.2 | Low | 80 Ų | 80 | 118.8 Ų | 118.8 | 56% | 0.559 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -75.7 | -21.2 | 176.1 | 59.4 | 0 | 0 | 0 | 0 | 113.7 | L69 E70 L75 | L69-S73 PolarHBondContact O-N 3.48Å; L69-S73 PolarHBondContact O-OG 3.44Å; E70-S73 WeakPolarHBondContact CA-OG 3.31Å; E70-S73 PolarHBondContact O-OG 3.12Å; S73-L75 VanDerWaalsContact C-N 3.28Å; S73-L75 PolarHBondContact O-N 3.1Å |
| 74 | S | 54.9 | Low | 60.9 | Low | 86 Ų | 86 | 118.8 Ų | 118.8 | 60% | 0.601 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | 2.8 | 176.3 | 83.4 | 0 | 0 | 0 | 0 | 114.3 | E70 P76 | E70-S74 PolarHBondContact O-N 3.37Å; S74-P76 VanDerWaalsContact O-CD 3.23Å; S74-P76 WeakPolarHBondContact O-CD 3.48Å |
| 75 | L | 57.8 | Low | 62 | Low | 90 Ų | 90 | 116.5 Ų | 116.5 | 47% | 0.471 | 62% | 0.619 | S | S | . | * | S | Bend | trans | -74.3 | 113.7 | 175.9 | -67.4 | 172.1 | 0 | 0 | 0 | 108.1 | L72 S73 T77 | L72-L75 HydrophobicContact CD2-CD1 4.49Å; S73-L75 VanDerWaalsContact C-N 3.28Å; S73-L75 PolarHBondContact O-N 3.1Å; L75-T77 PolarHBondContact O-N 2.89Å; L75-T77 VanDerWaalsContact O-N 3.14Å |
| 76 | P | 55.8 | Low | 63.3 | Low | 101 Ų | 101 | 112.6 Ų | 112.6 | 66% | 0.656 | 60% | 0.602 | S | S | * | * | trans | -54 | 125.9 | 171.7 | -19 | 31.7 | 0 | 0 | 0 | 107.7 | S74 Q78 | S74-P76 VanDerWaalsContact O-CD 3.23Å; S74-P76 WeakPolarHBondContact O-CD 3.48Å; P76-Q78 CarbonylContact O-C 3.57Å; P76-Q78 PolarHBondContact O-N 3.46Å | ||
| 77 | T | 53.8 | Low | 64.6 | Low | 148 Ų | 148 | 110.8 Ų | 110.8 | 91% | 0.908 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -65 | 4.4 | 179.1 | 50.4 | 0 | 0 | 0 | 0 | 113.4 | L75 M79 | L75-T77 PolarHBondContact O-N 2.89Å; L75-T77 VanDerWaalsContact O-N 3.14Å; T77-M79 PolarHBondContact O-N 3.13Å |
| 78 | Q | 55.2 | Low | 65.9 | Low | 171 Ų | 171 | 110.7 Ų | 110.7 | 80% | 0.799 | 58% | 0.58 | S | S | * | * | trans | -70.3 | 79.1 | 159.7 | -166.9 | -173.5 | 53.3 | 0 | 0 | 108.7 | P76 D80 | P76-Q78 CarbonylContact O-C 3.57Å; P76-Q78 PolarHBondContact O-N 3.46Å; Q78-D80 PolarHBondContact O-N 3.38Å; Q78-D80 VanDerWaalsContact O-N 3.13Å | ||
| 79 | M | 58.6 | Low | 67.4 | Low | 129 Ų | 129 | 108.6 Ų | 108.6 | 64% | 0.635 | 57% | 0.568 | S | S | * | * | trans | -56.4 | 115.8 | 174.5 | -161.3 | 92.5 | 107.2 | 0 | 0 | 109 | T77 Y81 Q84 | T77-M79 PolarHBondContact O-N 3.13Å; M79-Y81 PolarHBondContact O-N 3.41Å; M79-Q84 HydrophobicContact CG-CB 4.23Å; M79-Q84 HydrophobicContact CG-CG 4.45Å | ||
| 80 | D | 66.9 | Low | 68.7 | Low | 125 Ų | 125 | 107.9 Ų | 107.9 | 67% | 0.668 | 56% | 0.563 | S | S | * | * | trans | -63 | 104.3 | 174.5 | -111.6 | -43.4 | 0 | 0 | 0 | 108.8 | Q78 K82 G83 Q84 | Q78-D80 PolarHBondContact O-N 3.38Å; Q78-D80 VanDerWaalsContact O-N 3.13Å; D80-K82 PolarHBondContact O-N 3.37Å; D80-K82 VanDerWaalsContact O-N 3.09Å; D80-G83 WeakPolarHBondContact O-CA 3.45Å; D80-G83 PolarHBondContact O-N 3.44Å; D80-Q84 PolarHBondContact O-N 3.39Å | ||
| 81 | Y | 66.7 | Low | 70.1 | Confident | 175 Ų | 175 | 105.9 Ų | 105.9 | 69% | 0.686 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -53.4 | -35.2 | -177.1 | 175.4 | -97.4 | 0 | 0 | 0 | 112.4 | M79 K85 | M79-Y81 PolarHBondContact O-N 3.41Å; Y81-K85 WeakPolarHBondContact O-CB 3.44Å; Y81-K85 PolarHBondContact O-N 2.94Å |
| 82 | K | 74 | Confident | 71.7 | Confident | 177 Ų | 177 | 103.7 Ų | 103.7 | 77% | 0.77 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66.6 | -42.2 | 175.5 | -69.9 | -169.6 | 177.7 | -172.2 | 0 | 112.5 | D80 L86 | D80-K82 PolarHBondContact O-N 3.37Å; D80-K82 VanDerWaalsContact O-N 3.09Å; K82-L86 WeakPolarHBondContact O-CB 3.49Å; K82-L86 PolarHBondContact O-N 3.42Å; K82-L86 VanDerWaalsContact O-N 3.09Å |
| 83 | G | 76.8 | Confident | 73.3 | Confident | 41 Ų | 41 | 100.4 Ų | 100.4 | 42% | 0.423 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -68.2 | -40.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | D80 L86 A87 | D80-G83 WeakPolarHBondContact O-CA 3.45Å; D80-G83 PolarHBondContact O-N 3.44Å; G83-L86 PolarHBondContact O-N 3.19Å; G83-A87 WeakPolarHBondContact O-CB 3.32Å; G83-A87 PolarHBondContact O-N 3.43Å |
| 84 | Q | 79.4 | Confident | 75.1 | Confident | 100 Ų | 100 | 97.7 Ų | 97.7 | 47% | 0.467 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.3 | -46.6 | 175.9 | -168.7 | 179 | 19.5 | 0 | 0 | 111.9 | M79 D80 L86 A87 E88 | M79-Q84 HydrophobicContact CG-CB 4.23Å; M79-Q84 HydrophobicContact CG-CG 4.45Å; D80-Q84 PolarHBondContact O-N 3.39Å; Q84-L86 VanDerWaalsContact C-N 3.33Å; Q84-L86 PolarHBondContact O-N 2.8Å; Q84-A87 PolarHBondContact O-N 3.01Å; Q84-E88 PolarHBondContact O-N 3.33Å |
| 85 | K | 81.4 | Confident | 76.9 | Confident | 81 Ų | 81 | 95.8 Ų | 95.8 | 35% | 0.352 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.4 | -37.4 | 179.7 | -169 | 69.4 | -162.6 | 162.6 | 0 | 112.4 | Y81 E88 Q89 | Y81-K85 WeakPolarHBondContact O-CB 3.44Å; Y81-K85 PolarHBondContact O-N 2.94Å; K85-E88 IonicContact NZ-OE1 2.81Å; K85-E88 IonicContact NZ-OE2 3.63Å; K85-E88 PolarHBondContact NZ-OE2 3.41Å; K85-E88 PolarHBondContact O-N 2.86Å; K85-Q89 WeakPolarHBondContact O-CG 3.4Å; K85-Q89 PolarHBondContact O-N 3.14Å |
| 86 | L | 83.1 | Confident | 78.7 | Confident | 56 Ų | 56 | 96.8 Ų | 96.8 | 29% | 0.293 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.7 | -45.7 | 175.1 | -175 | 76.8 | 0 | 0 | 0 | 111.7 | K82 G83 Q84 E88 Q89 M90 Y137 | K82-L86 WeakPolarHBondContact O-CB 3.49Å; K82-L86 PolarHBondContact O-N 3.42Å; K82-L86 VanDerWaalsContact O-N 3.09Å; G83-L86 PolarHBondContact O-N 3.19Å; Q84-L86 VanDerWaalsContact C-N 3.33Å; Q84-L86 PolarHBondContact O-N 2.8Å; L86-E88 VanDerWaalsContact C-N 3.27Å; L86-E88 PolarHBondContact O-N 3.34Å; L86-Q89 PolarHBondContact O-N 2.8Å; L86-M90 HydrophobicContact CG-CG 4.41Å; L86-M90 WeakPolarHBondContact O-CB 3.4Å; L86-M90 VanDerWaalsContact O-CG 3.32Å; L86-M90 WeakPolarHBondContact O-CG 3.36Å; L86-M90 PolarHBondContact O-N 3.35Å; L86-Y137 HydrophobicContact CD2-CD2 4.17Å; L86-Y137 HydrophobicContact CD2-CE1 4.49Å; L86-Y137 HydrophobicContact CD2-CE2 3.2Å; L86-Y137 WeakPolarHBondContact CD2-OH 3.33Å |
| 87 | A | 84.9 | Confident | 80.6 | Confident | 42 Ų | 42 | 98.8 Ų | 98.8 | 35% | 0.347 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59 | -42.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | G83 Q84 M90 F91 | G83-A87 WeakPolarHBondContact O-CB 3.32Å; G83-A87 PolarHBondContact O-N 3.43Å; Q84-A87 PolarHBondContact O-N 3.01Å; A87-M90 PolarHBondContact O-N 3.04Å; A87-F91 VanDerWaalsContact O-CB 3.3Å; A87-F91 WeakPolarHBondContact O-CB 3.35Å; A87-F91 PolarHBondContact O-N 2.92Å |
| 88 | E | 86.1 | Confident | 82.5 | Confident | 81 Ų | 81 | 92 Ų | 92 | 38% | 0.379 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.5 | -46.8 | 175.2 | -168 | -166.6 | 167.8 | 0 | 0 | 112 | Q84 K85 L86 F91 Q92 | Q84-E88 PolarHBondContact O-N 3.33Å; K85-E88 IonicContact NZ-OE1 2.81Å; K85-E88 IonicContact NZ-OE2 3.63Å; K85-E88 PolarHBondContact NZ-OE2 3.41Å; K85-E88 PolarHBondContact O-N 2.86Å; L86-E88 VanDerWaalsContact C-N 3.27Å; L86-E88 PolarHBondContact O-N 3.34Å; E88-F91 PolarHBondContact O-N 2.92Å; E88-Q92 WeakPolarHBondContact O-CB 3.39Å; E88-Q92 WeakPolarHBondContact O-CG 3.36Å; E88-Q92 PolarHBondContact O-N 2.88Å; E88-Q92 PolarHBondContact OE1-NE2 2.89Å |
| 89 | Q | 88.2 | Confident | 84.3 | Confident | 116 Ų | 116 | 86 Ų | 86 | 54% | 0.542 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.8 | -42.3 | 178.5 | -77.6 | -175.9 | -50.9 | 0 | 0 | 112.5 | K85 L86 G93 | K85-Q89 WeakPolarHBondContact O-CG 3.4Å; K85-Q89 PolarHBondContact O-N 3.14Å; L86-Q89 PolarHBondContact O-N 2.8Å; Q89-G93 PolarHBondContact O-N 3.34Å |
| 90 | M | 87.7 | Confident | 86.1 | Confident | 90 Ų | 90 | 84.3 Ų | 84.3 | 44% | 0.443 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -65.4 | -44.8 | 177.3 | -70 | -67.4 | -73.3 | 0 | 0 | 110.8 | L86 A87 G93 I94 | L86-M90 HydrophobicContact CG-CG 4.41Å; L86-M90 WeakPolarHBondContact O-CB 3.4Å; L86-M90 VanDerWaalsContact O-CG 3.32Å; L86-M90 WeakPolarHBondContact O-CG 3.36Å; L86-M90 PolarHBondContact O-N 3.35Å; A87-M90 PolarHBondContact O-N 3.04Å; M90-G93 PolarHBondContact O-N 2.87Å; M90-I94 WeakPolarHBondContact O-CD1 3.31Å; M90-I94 WeakPolarHBondContact O-CG1 3.44Å; M90-I94 PolarHBondContact O-N 3.49Å |
| 91 | F | 88.7 | Confident | 87.4 | Confident | 74 Ų | 74 | 80.6 Ų | 80.6 | 33% | 0.325 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -60.1 | -50.9 | 177.5 | -174.4 | -91.9 | 0 | 0 | 0 | 111.2 | A87 E88 G93 I94 I95 F123 S126 T130 | A87-F91 VanDerWaalsContact O-CB 3.3Å; A87-F91 WeakPolarHBondContact O-CB 3.35Å; A87-F91 PolarHBondContact O-N 2.92Å; E88-F91 PolarHBondContact O-N 2.92Å; F91-G93 VanDerWaalsContact C-N 3.34Å; F91-G93 PolarHBondContact O-N 3.37Å; F91-I94 PolarHBondContact O-N 3.4Å; F91-I95 HydrophobicContact CD1-CG1 4.12Å; F91-I95 HydrophobicContact CE1-CG1 3.77Å; F91-I95 HydrophobicContact CE2-CD1 4.4Å; F91-I95 HydrophobicContact CE2-CG1 4.25Å; F91-I95 HydrophobicContact CZ-CD1 4.14Å; F91-I95 HydrophobicContact CZ-CG1 3.82Å; F91-I95 WeakPolarHBondContact O-CB 3.31Å; F91-I95 VanDerWaalsContact O-CG1 3.23Å; F91-I95 WeakPolarHBondContact O-CG1 3.49Å; F91-I95 PolarHBondContact O-N 3.3Å; F91-F123 HydrophobicContact CE2-CD2 4.07Å; F91-F123 AromaticContact CE2-CE2 3.9Å; F91-F123 HydrophobicContact CE2-CE2 3.9Å; F91-F123 AromaticContact CZ-CD2 3.89Å; F91-F123 HydrophobicContact CZ-CD2 3.89Å; F91-F123 AromaticContact CZ-CE2 3.69Å; F91-F123 HydrophobicContact CZ-CE2 3.69Å; F91-S126 WeakPolarHBondContact CA-OG 3.38Å; F91-S126 WeakPolarHBondContact CD2-OG 3.46Å; F91-T130 HydrophobicContact CB-CG2 4.29Å |
| 92 | Q | 91.5 | Very high | 88.7 | Confident | 105 Ų | 105 | 72.2 Ų | 72.2 | 49% | 0.491 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.3 | -43.2 | 177.2 | -74.8 | 173.5 | -0.4 | 0 | 0 | 112 | E88 L96 | E88-Q92 WeakPolarHBondContact O-CB 3.39Å; E88-Q92 WeakPolarHBondContact O-CG 3.36Å; E88-Q92 PolarHBondContact O-N 2.88Å; E88-Q92 PolarHBondContact OE1-NE2 2.89Å; Q92-L96 WeakPolarHBondContact O-CB 3.38Å; Q92-L96 PolarHBondContact O-N 3.39Å |
| 93 | G | 93.1 | Very high | 89.6 | Confident | 40 Ų | 40 | 71.1 Ų | 71.1 | 41% | 0.412 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.3 | -46.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q89 M90 F91 F97 | Q89-G93 PolarHBondContact O-N 3.34Å; M90-G93 PolarHBondContact O-N 2.87Å; F91-G93 VanDerWaalsContact C-N 3.34Å; F91-G93 PolarHBondContact O-N 3.37Å; G93-F97 VanDerWaalsContact O-CB 3.25Å; G93-F97 WeakPolarHBondContact O-CB 3.45Å; G93-F97 PolarHBondContact O-N 2.88Å |
| 94 | I | 92.3 | Very high | 90.4 | Very high | 24 Ų | 24 | 73.9 Ų | 73.9 | 12% | 0.123 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -69.8 | -43.5 | -178.6 | -60.9 | 159.2 | 0 | 0 | 0 | 110.9 | M90 F91 F97 S98 G122 F125 L129 | M90-I94 WeakPolarHBondContact O-CD1 3.31Å; M90-I94 WeakPolarHBondContact O-CG1 3.44Å; M90-I94 PolarHBondContact O-N 3.49Å; F91-I94 PolarHBondContact O-N 3.4Å; I94-F97 PolarHBondContact O-N 2.85Å; I94-S98 WeakPolarHBondContact O-CB 3.38Å; I94-S98 PolarHBondContact O-N 2.88Å; I94-S98 PolarHBondContact O-OG 3.38Å; I94-G122 WeakPolarHBondContact CG2-O 3.49Å; I94-F125 HydrophobicContact CG2-CD1 4.18Å; I94-L129 HydrophobicContact CD1-CB 4.32Å; I94-L129 HydrophobicContact CD1-CD1 3.7Å |
| 95 | I | 93 | Very high | 91 | Very high | 45 Ų | 45 | 76.2 Ų | 76.2 | 23% | 0.231 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -63.3 | -46.1 | 178.1 | -63.4 | -59.9 | 0 | 0 | 0 | 110.5 | F91 F97 S98 A99 F123 | F91-I95 HydrophobicContact CD1-CG1 4.12Å; F91-I95 HydrophobicContact CE1-CG1 3.77Å; F91-I95 HydrophobicContact CE2-CD1 4.4Å; F91-I95 HydrophobicContact CE2-CG1 4.25Å; F91-I95 HydrophobicContact CZ-CD1 4.14Å; F91-I95 HydrophobicContact CZ-CG1 3.82Å; F91-I95 WeakPolarHBondContact O-CB 3.31Å; F91-I95 VanDerWaalsContact O-CG1 3.23Å; F91-I95 WeakPolarHBondContact O-CG1 3.49Å; F91-I95 PolarHBondContact O-N 3.3Å; I95-F97 PolarHBondContact O-N 3.45Å; I95-S98 PolarHBondContact O-N 2.86Å; I95-S98 PolarHBondContact O-OG 3.3Å; I95-A99 WeakPolarHBondContact O-CB 3.25Å; I95-A99 PolarHBondContact O-N 3.28Å; I95-F123 HydrophobicContact CD1-CB 3.82Å; I95-F123 HydrophobicContact CD1-CD2 3.8Å; I95-F123 HydrophobicContact CD1-CG 4.29Å |
| 96 | L | 95.4 | Very high | 91.6 | Very high | 112 Ų | 112 | 72.7 Ų | 72.7 | 59% | 0.586 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -61.7 | -44.4 | 177.3 | -178.4 | 61.9 | 0 | 0 | 0 | 111.7 | Q92 A99 I100 | Q92-L96 WeakPolarHBondContact O-CB 3.38Å; Q92-L96 PolarHBondContact O-N 3.39Å; L96-A99 PolarHBondContact O-N 3.38Å; L96-I100 HydrophobicContact CD1-CD1 4.36Å; L96-I100 HydrophobicContact CG-CD1 4.19Å; L96-I100 WeakPolarHBondContact O-CG1 3.29Å; L96-I100 PolarHBondContact O-N 2.94Å |
| 97 | F | 95.1 | Very high | 92 | Very high | 142 Ų | 142 | 79.1 Ų | 79.1 | 62% | 0.623 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -60 | -47.6 | 176 | 177.6 | -100.9 | 0 | 0 | 0 | 111.7 | G93 I94 I95 A99 I100 V101 | G93-F97 VanDerWaalsContact O-CB 3.25Å; G93-F97 WeakPolarHBondContact O-CB 3.45Å; G93-F97 PolarHBondContact O-N 2.88Å; I94-F97 PolarHBondContact O-N 2.85Å; I95-F97 PolarHBondContact O-N 3.45Å; F97-A99 VanDerWaalsContact C-N 3.28Å; F97-A99 PolarHBondContact O-N 3.28Å; F97-I100 PolarHBondContact O-N 2.81Å; F97-V101 HydrophobicContact CD1-CG2 4.42Å; F97-V101 HydrophobicContact CD2-CG2 4.42Å; F97-V101 HydrophobicContact CE1-CG2 4.02Å; F97-V101 HydrophobicContact CE2-CG2 4.01Å; F97-V101 HydrophobicContact CZ-CG2 3.8Å; F97-V101 WeakPolarHBondContact O-CG2 3.36Å; F97-V101 PolarHBondContact O-N 3.28Å |
| 98 | S | 94.4 | Very high | 92.4 | Very high | 7 Ų | 7 | 82.5 Ų | 82.5 | 5% | 0.049 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -64.3 | -33 | 178.1 | 72.1 | 0 | 0 | 0 | 0 | 112.7 | I94 I95 G102 | I94-S98 WeakPolarHBondContact O-CB 3.38Å; I94-S98 PolarHBondContact O-N 2.88Å; I94-S98 PolarHBondContact O-OG 3.38Å; I95-S98 PolarHBondContact O-N 2.86Å; I95-S98 PolarHBondContact O-OG 3.3Å; S98-G102 WeakPolarHBondContact O-CA 3.06Å; S98-G102 PolarHBondContact O-N 3.46Å |
| 99 | A | 93.6 | Very high | 92.5 | Very high | 43 Ų | 43 | 80.4 Ų | 80.4 | 36% | 0.355 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -68 | -43.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | I95 L96 F97 F103 | I95-A99 WeakPolarHBondContact O-CB 3.25Å; I95-A99 PolarHBondContact O-N 3.28Å; L96-A99 PolarHBondContact O-N 3.38Å; F97-A99 VanDerWaalsContact C-N 3.28Å; F97-A99 PolarHBondContact O-N 3.28Å; A99-F103 WeakPolarHBondContact O-CB 3.15Å; A99-F103 PolarHBondContact O-N 2.8Å |
| 100 | I | 96.2 | Very high | 92.5 | Very high | 94 Ų | 94 | 83 Ų | 83 | 48% | 0.482 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.4 | -49.6 | 177.3 | -64.9 | 165.5 | 0 | 0 | 0 | 110.4 | L96 F97 F103 I104 | L96-I100 HydrophobicContact CD1-CD1 4.36Å; L96-I100 HydrophobicContact CG-CD1 4.19Å; L96-I100 WeakPolarHBondContact O-CG1 3.29Å; L96-I100 PolarHBondContact O-N 2.94Å; F97-I100 PolarHBondContact O-N 2.81Å; I100-F103 PolarHBondContact O-N 3.47Å; I100-I104 HydrophobicContact CG2-CD1 4.05Å; I100-I104 WeakPolarHBondContact O-CG1 3.37Å; I100-I104 PolarHBondContact O-N 3.03Å |
| 101 | V | 94.6 | Very high | 92.2 | Very high | 47 Ų | 47 | 84.8 Ų | 84.8 | 29% | 0.285 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.9 | -45.7 | 179.6 | 175.1 | 0 | 0 | 0 | 0 | 110.8 | F97 F103 I104 Y105 | F97-V101 HydrophobicContact CD1-CG2 4.42Å; F97-V101 HydrophobicContact CD2-CG2 4.42Å; F97-V101 HydrophobicContact CE1-CG2 4.02Å; F97-V101 HydrophobicContact CE2-CG2 4.01Å; F97-V101 HydrophobicContact CZ-CG2 3.8Å; F97-V101 WeakPolarHBondContact O-CG2 3.36Å; F97-V101 PolarHBondContact O-N 3.28Å; V101-F103 VanDerWaalsContact C-N 3.31Å; V101-F103 PolarHBondContact O-N 2.88Å; V101-I104 PolarHBondContact O-N 3.17Å; V101-Y105 HydrophobicContact CG1-CD2 4.06Å; V101-Y105 WeakPolarHBondContact O-CB 3.08Å; V101-Y105 PolarHBondContact O-N 3.25Å |
| 102 | G | 94.1 | Very high | 92 | Very high | 0 Ų | 0 | 89.6 Ų | 89.6 | 0% | 0 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -60.2 | -40.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | S98 Y105 G106 T115 | S98-G102 WeakPolarHBondContact O-CA 3.06Å; S98-G102 PolarHBondContact O-N 3.46Å; G102-Y105 PolarHBondContact O-N 3.2Å; G102-G106 PolarHBondContact O-N 3.4Å; G102-T115 WeakPolarHBondContact O-CG2 3.32Å |
| 103 | F | 92 | Very high | 92 | Very high | 153 Ų | 153 | 87.2 Ų | 87.2 | 67% | 0.671 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -63.9 | -47.5 | 176.8 | -176.1 | -100.9 | 0 | 0 | 0 | 112.3 | A99 I100 V101 Y105 G106 Y107 | A99-F103 WeakPolarHBondContact O-CB 3.15Å; A99-F103 PolarHBondContact O-N 2.8Å; I100-F103 PolarHBondContact O-N 3.47Å; V101-F103 VanDerWaalsContact C-N 3.31Å; V101-F103 PolarHBondContact O-N 2.88Å; F103-Y105 VanDerWaalsContact C-N 3.35Å; F103-Y105 PolarHBondContact O-N 3.41Å; F103-G106 PolarHBondContact O-N 2.9Å; F103-Y107 WeakPolarHBondContact O-CB 2.88Å; F103-Y107 PolarHBondContact O-N 3.19Å |
| 104 | I | 94.5 | Very high | 91.8 | Very high | 99 Ų | 99 | 93 Ų | 93 | 51% | 0.508 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -61.3 | -45.9 | 176.6 | -64.1 | 166.2 | 0 | 0 | 0 | 110.3 | I100 V101 Y107 V108 | I100-I104 HydrophobicContact CG2-CD1 4.05Å; I100-I104 WeakPolarHBondContact O-CG1 3.37Å; I100-I104 PolarHBondContact O-N 3.03Å; V101-I104 PolarHBondContact O-N 3.17Å; I104-Y107 WeakPolarHBondContact O-CB 2.84Å; I104-Y107 PolarHBondContact O-N 2.86Å; I104-V108 WeakPolarHBondContact O-CG2 3.49Å; I104-V108 PolarHBondContact O-N 2.73Å; I104-V108 VanDerWaalsContact O-N 3.14Å |
| 105 | Y | 92.1 | Very high | 91.8 | Very high | 149 Ų | 149 | 93.3 Ų | 93.3 | 58% | 0.584 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -65.1 | -41.6 | 179.9 | -106.5 | -82.8 | 0 | 0 | 0 | 113 | V101 G102 F103 Y107 V108 A109 I118 | V101-Y105 HydrophobicContact CG1-CD2 4.06Å; V101-Y105 WeakPolarHBondContact O-CB 3.08Å; V101-Y105 PolarHBondContact O-N 3.25Å; G102-Y105 PolarHBondContact O-N 3.2Å; F103-Y105 VanDerWaalsContact C-N 3.35Å; F103-Y105 PolarHBondContact O-N 3.41Å; Y105-Y107 VanDerWaalsContact C-N 3.33Å; Y105-V108 PolarHBondContact O-N 2.95Å; Y105-A109 VanDerWaalsContact O-CB 3.27Å; Y105-A109 WeakPolarHBondContact O-CB 3.07Å; Y105-A109 PolarHBondContact O-N 2.88Å; Y105-I118 VanDerWaalsContact CB-CD1 3.47Å; Y105-I118 HydrophobicContact CD1-CD1 4.44Å; Y105-I118 HydrophobicContact CD2-CD1 4.39Å; Y105-I118 HydrophobicContact CG-CD1 3.87Å |
| 106 | G | 93.3 | Very high | 91.8 | Very high | 8 Ų | 8 | 95.4 Ų | 95.4 | 8% | 0.082 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -69.5 | -31.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114 | G102 F103 V108 A109 E110 | G102-G106 PolarHBondContact O-N 3.4Å; F103-G106 PolarHBondContact O-N 2.9Å; G106-V108 VanDerWaalsContact C-N 3.3Å; G106-A109 PolarHBondContact O-N 3.02Å; G106-E110 PolarHBondContact O-N 3.41Å; G106-E110 VanDerWaalsContact O-N 3.12Å |
| 107 | Y | 91.4 | Very high | 91.8 | Very high | 190 Ų | 190 | 98.3 Ų | 98.3 | 75% | 0.745 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -61.2 | -43 | 172.6 | -178.2 | -100.7 | 0 | 0 | 0 | 110.7 | F103 I104 Y105 | F103-Y107 WeakPolarHBondContact O-CB 2.88Å; F103-Y107 PolarHBondContact O-N 3.19Å; I104-Y107 WeakPolarHBondContact O-CB 2.84Å; I104-Y107 PolarHBondContact O-N 2.86Å; Y105-Y107 VanDerWaalsContact C-N 3.33Å |
| 108 | V | 93.3 | Very high | 91.7 | Very high | 113 Ų | 113 | 93.4 Ų | 93.4 | 69% | 0.685 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -71.4 | -37.4 | 176.1 | 176.9 | 0 | 0 | 0 | 0 | 112.3 | I104 Y105 G106 E110 | I104-V108 WeakPolarHBondContact O-CG2 3.49Å; I104-V108 PolarHBondContact O-N 2.73Å; I104-V108 VanDerWaalsContact O-N 3.14Å; Y105-V108 PolarHBondContact O-N 2.95Å; G106-V108 VanDerWaalsContact C-N 3.3Å; V108-E110 VanDerWaalsContact C-N 3.28Å; V108-E110 PolarHBondContact O-N 3.33Å |
| 109 | A | 88.3 | Confident | 91.7 | Very high | 37 Ų | 37 | 95.6 Ų | 95.6 | 31% | 0.306 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -78.2 | -7.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y105 G106 Q111 W114 | Y105-A109 VanDerWaalsContact O-CB 3.27Å; Y105-A109 WeakPolarHBondContact O-CB 3.07Å; Y105-A109 PolarHBondContact O-N 2.88Å; G106-A109 PolarHBondContact O-N 3.02Å; A109-Q111 WeakPolarHBondContact O-CB 3.34Å; A109-Q111 VanDerWaalsContact O-CG 3.31Å; A109-Q111 WeakPolarHBondContact O-CG 3.4Å; A109-Q111 PolarHBondContact O-N 3.43Å; A109-W114 HydrophobicContact CB-CB 4.28Å; A109-W114 HydrophobicContact CB-CG 4.25Å |
| 110 | E | 89 | Confident | 91.8 | Very high | 172 Ų | 172 | 98.9 Ų | 98.9 | 80% | 0.804 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 16.3 | -175.7 | -60.6 | -171.2 | 149.9 | 0 | 0 | 114.7 | G106 V108 | G106-E110 PolarHBondContact O-N 3.41Å; G106-E110 VanDerWaalsContact O-N 3.12Å; V108-E110 VanDerWaalsContact C-N 3.28Å; V108-E110 PolarHBondContact O-N 3.33Å |
| 111 | Q | 80.8 | Confident | 91.7 | Very high | 126 Ų | 126 | 96.9 Ų | 96.9 | 59% | 0.589 | 48% | 0.481 | S | S | * | . | trans | -138.5 | 119.3 | -171.3 | -67.3 | -65.3 | -22.5 | 0 | 0 | 109.9 | A109 G113 W114 | A109-Q111 WeakPolarHBondContact O-CB 3.34Å; A109-Q111 VanDerWaalsContact O-CG 3.31Å; A109-Q111 WeakPolarHBondContact O-CG 3.4Å; A109-Q111 PolarHBondContact O-N 3.43Å; Q111-G113 PolarHBondContact O-N 2.87Å; Q111-W114 PolarHBondContact O-N 2.8Å | ||
| 112 | F | 84.8 | Confident | 91.7 | Very high | 176 Ų | 176 | 95.2 Ų | 95.2 | 77% | 0.772 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -65.1 | -19.4 | -179.2 | -71.9 | -82.9 | 0 | 0 | 0 | 113.7 | W114 T115 V116 | F112-W114 VanDerWaalsContact C-N 3.31Å; F112-W114 PolarHBondContact O-N 3.49Å; F112-T115 PolarHBondContact O-N 2.89Å; F112-T115 PolarHBondContact O-OG1 2.68Å; F112-V116 PolarHBondContact O-N 3.32Å |
| 113 | G | 90.6 | Very high | 91.6 | Very high | 54 Ų | 54 | 99.5 Ų | 99.5 | 56% | 0.557 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.4 | -37.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q111 V116 Y117 | Q111-G113 PolarHBondContact O-N 2.87Å; G113-V116 PolarHBondContact O-N 2.94Å; G113-Y117 PolarHBondContact O-N 2.9Å; G113-Y117 VanDerWaalsContact O-N 3.13Å |
| 114 | W | 89.4 | Confident | 91.7 | Very high | 162 Ų | 162 | 95 Ų | 95 | 61% | 0.614 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -68.9 | -35.6 | -180 | -75.6 | 104.4 | 0 | 0 | 0 | 112.7 | A109 Q111 F112 Y117 I118 | A109-W114 HydrophobicContact CB-CB 4.28Å; A109-W114 HydrophobicContact CB-CG 4.25Å; Q111-W114 PolarHBondContact O-N 2.8Å; F112-W114 VanDerWaalsContact C-N 3.31Å; F112-W114 PolarHBondContact O-N 3.49Å; W114-Y117 PolarHBondContact O-N 3.21Å; W114-I118 WeakPolarHBondContact O-CG1 3.49Å; W114-I118 PolarHBondContact O-N 2.92Å; W114-I118 VanDerWaalsContact O-N 3.1Å |
| 115 | T | 93.1 | Very high | 91.5 | Very high | 30 Ų | 30 | 96 Ų | 96 | 18% | 0.184 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -62 | -46.9 | 176.3 | 66.8 | 0 | 0 | 0 | 0 | 110.7 | G102 F112 Y117 I118 V119 | G102-T115 WeakPolarHBondContact O-CG2 3.32Å; F112-T115 PolarHBondContact O-N 2.89Å; F112-T115 PolarHBondContact O-OG1 2.68Å; T115-Y117 VanDerWaalsContact C-N 3.29Å; T115-Y117 PolarHBondContact O-N 3.39Å; T115-I118 PolarHBondContact O-N 2.99Å; T115-V119 WeakPolarHBondContact O-CG2 3.36Å; T115-V119 PolarHBondContact O-N 3.23Å |
| 116 | V | 93.1 | Very high | 91.4 | Very high | 89 Ų | 89 | 88.9 Ų | 88.9 | 54% | 0.539 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.8 | -40.8 | -178.5 | 176.9 | 0 | 0 | 0 | 0 | 110.1 | F112 G113 V119 M120 | F112-V116 PolarHBondContact O-N 3.32Å; G113-V116 PolarHBondContact O-N 2.94Å; V116-V119 PolarHBondContact O-N 2.94Å; V116-M120 HydrophobicContact CG1-CG 4.41Å; V116-M120 VanDerWaalsContact O-CB 3.29Å; V116-M120 WeakPolarHBondContact O-CB 3.32Å; V116-M120 WeakPolarHBondContact O-CG 3.18Å; V116-M120 PolarHBondContact O-N 3.47Å |
| 117 | Y | 94.5 | Very high | 91 | Very high | 173 Ų | 173 | 89.8 Ų | 89.8 | 68% | 0.678 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -62.8 | -43.4 | 177.4 | -157.5 | -92.5 | 0 | 0 | 0 | 112.2 | G113 W114 T115 M120 A121 | G113-Y117 PolarHBondContact O-N 2.9Å; G113-Y117 VanDerWaalsContact O-N 3.13Å; W114-Y117 PolarHBondContact O-N 3.21Å; T115-Y117 VanDerWaalsContact C-N 3.29Å; T115-Y117 PolarHBondContact O-N 3.39Å; Y117-M120 PolarHBondContact O-N 3.4Å; Y117-A121 WeakPolarHBondContact O-CB 3.23Å; Y117-A121 PolarHBondContact O-N 2.92Å |
| 118 | I | 93.6 | Very high | 90.8 | Very high | 39 Ų | 39 | 86.6 Ų | 86.6 | 20% | 0.2 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -67.5 | -42.5 | 179 | -66 | 166.2 | 0 | 0 | 0 | 111.3 | Y105 W114 T115 A121 G122 | Y105-I118 VanDerWaalsContact CB-CD1 3.47Å; Y105-I118 HydrophobicContact CD1-CD1 4.44Å; Y105-I118 HydrophobicContact CD2-CD1 4.39Å; Y105-I118 HydrophobicContact CG-CD1 3.87Å; W114-I118 WeakPolarHBondContact O-CG1 3.49Å; W114-I118 PolarHBondContact O-N 2.92Å; W114-I118 VanDerWaalsContact O-N 3.1Å; T115-I118 PolarHBondContact O-N 2.99Å; I118-A121 PolarHBondContact O-N 3.47Å; I118-G122 PolarHBondContact O-N 3Å |
| 119 | V | 93.7 | Very high | 90.2 | Very high | 53 Ų | 53 | 83.8 Ų | 83.8 | 32% | 0.321 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -65.8 | -41.5 | 177.2 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | T115 V116 G122 F123 | T115-V119 WeakPolarHBondContact O-CG2 3.36Å; T115-V119 PolarHBondContact O-N 3.23Å; V116-V119 PolarHBondContact O-N 2.94Å; V119-G122 PolarHBondContact O-N 2.9Å; V119-F123 WeakPolarHBondContact O-CB 3.49Å; V119-F123 PolarHBondContact O-N 2.81Å |
| 120 | M | 95.3 | Very high | 89.6 | Confident | 113 Ų | 113 | 84.3 Ų | 84.3 | 56% | 0.557 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -64.2 | -41.7 | 175.1 | -82.9 | -61.9 | -59.3 | 0 | 0 | 112.4 | V116 Y117 G122 F123 A124 | V116-M120 HydrophobicContact CG1-CG 4.41Å; V116-M120 VanDerWaalsContact O-CB 3.29Å; V116-M120 WeakPolarHBondContact O-CB 3.32Å; V116-M120 WeakPolarHBondContact O-CG 3.18Å; V116-M120 PolarHBondContact O-N 3.47Å; Y117-M120 PolarHBondContact O-N 3.4Å; M120-G122 VanDerWaalsContact C-N 3.35Å; M120-F123 PolarHBondContact O-N 3.05Å; M120-A124 WeakPolarHBondContact O-CB 3.38Å; M120-A124 PolarHBondContact O-N 3.38Å |
| 121 | A | 95.1 | Very high | 88.7 | Confident | 52 Ų | 52 | 82.4 Ų | 82.4 | 43% | 0.43 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63 | -42.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y117 I118 A124 F125 | Y117-A121 WeakPolarHBondContact O-CB 3.23Å; Y117-A121 PolarHBondContact O-N 2.92Å; I118-A121 PolarHBondContact O-N 3.47Å; A121-A124 PolarHBondContact O-N 3.17Å; A121-F125 VanDerWaalsContact O-CB 3.31Å; A121-F125 WeakPolarHBondContact O-CB 3.33Å; A121-F125 PolarHBondContact O-N 3.05Å |
| 122 | G | 93.6 | Very high | 87.9 | Confident | 11 Ų | 11 | 78.5 Ų | 78.5 | 11% | 0.113 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -62.6 | -39.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | I94 I118 V119 M120 S126 | I94-G122 WeakPolarHBondContact CG2-O 3.49Å; I118-G122 PolarHBondContact O-N 3Å; V119-G122 PolarHBondContact O-N 2.9Å; M120-G122 VanDerWaalsContact C-N 3.35Å; G122-S126 VanDerWaalsContact O-CB 3.31Å; G122-S126 WeakPolarHBondContact O-CB 3.2Å; G122-S126 PolarHBondContact O-N 2.93Å |
| 123 | F | 92.8 | Very high | 86.7 | Confident | 91 Ų | 91 | 75.2 Ų | 75.2 | 40% | 0.399 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65.6 | -47.9 | 174.3 | 176.2 | -93.5 | 0 | 0 | 0 | 112 | F91 I95 V119 M120 F125 S126 C127 | F91-F123 HydrophobicContact CE2-CD2 4.07Å; F91-F123 AromaticContact CE2-CE2 3.9Å; F91-F123 HydrophobicContact CE2-CE2 3.9Å; F91-F123 AromaticContact CZ-CD2 3.89Å; F91-F123 HydrophobicContact CZ-CD2 3.89Å; F91-F123 AromaticContact CZ-CE2 3.69Å; F91-F123 HydrophobicContact CZ-CE2 3.69Å; I95-F123 HydrophobicContact CD1-CB 3.82Å; I95-F123 HydrophobicContact CD1-CD2 3.8Å; I95-F123 HydrophobicContact CD1-CG 4.29Å; V119-F123 WeakPolarHBondContact O-CB 3.49Å; V119-F123 PolarHBondContact O-N 2.81Å; M120-F123 PolarHBondContact O-N 3.05Å; F123-F125 VanDerWaalsContact C-N 3.29Å; F123-F125 PolarHBondContact O-N 3.32Å; F123-S126 WeakPolarHBondContact O-CB 3.45Å; F123-S126 PolarHBondContact O-N 2.91Å; F123-S126 VanDerWaalsContact O-N 3.14Å; F123-C127 PolarHBondContact O-N 2.97Å; F123-C127 PolarHBondContact O-SG 3.2Å; F123-C127 VanDerWaalsContact O-SG 3.41Å |
| 124 | A | 93.3 | Very high | 85.4 | Confident | 57 Ų | 57 | 79.7 Ų | 79.7 | 47% | 0.471 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -60.2 | -40.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | M120 A121 C127 L128 | M120-A124 WeakPolarHBondContact O-CB 3.38Å; M120-A124 PolarHBondContact O-N 3.38Å; A121-A124 PolarHBondContact O-N 3.17Å; A124-C127 PolarHBondContact O-N 3.39Å; A124-L128 WeakPolarHBondContact O-CB 3.3Å; A124-L128 PolarHBondContact O-N 3.45Å |
| 125 | F | 90.1 | Very high | 83.9 | Confident | 121 Ų | 121 | 76 Ų | 76 | 53% | 0.531 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64.7 | -42 | 174.2 | -175.1 | -108.9 | 0 | 0 | 0 | 112.3 | I94 A121 F123 C127 L128 L129 | I94-F125 HydrophobicContact CG2-CD1 4.18Å; A121-F125 VanDerWaalsContact O-CB 3.31Å; A121-F125 WeakPolarHBondContact O-CB 3.33Å; A121-F125 PolarHBondContact O-N 3.05Å; F123-F125 VanDerWaalsContact C-N 3.29Å; F123-F125 PolarHBondContact O-N 3.32Å; F125-C127 PolarHBondContact O-N 3.13Å; F125-L128 CarbonylContact O-C 3.56Å; F125-L128 PolarHBondContact O-N 3.26Å; F125-L128 VanDerWaalsContact O-N 3.17Å; F125-L129 HydrophobicContact CD1-CD1 3.5Å; F125-L129 HydrophobicContact CD2-CD1 4.46Å; F125-L129 HydrophobicContact CE1-CD1 3.14Å; F125-L129 HydrophobicContact CE1-CG 4.41Å; F125-L129 HydrophobicContact CE2-CD1 4.15Å; F125-L129 HydrophobicContact CG-CD1 4.17Å; F125-L129 HydrophobicContact CZ-CD1 3.5Å; F125-L129 HydrophobicContact CZ-CG 4.42Å; F125-L129 PolarHBondContact O-N 2.88Å |
| 126 | S | 89.8 | Confident | 82.1 | Confident | 0 Ų | 0 | 79 Ų | 79 | 0% | 0 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -60.1 | -44.6 | 174.4 | -174.1 | 0 | 0 | 0 | 0 | 111.9 | F91 G122 F123 L129 T130 | F91-S126 WeakPolarHBondContact CA-OG 3.38Å; F91-S126 WeakPolarHBondContact CD2-OG 3.46Å; G122-S126 VanDerWaalsContact O-CB 3.31Å; G122-S126 WeakPolarHBondContact O-CB 3.2Å; G122-S126 PolarHBondContact O-N 2.93Å; F123-S126 WeakPolarHBondContact O-CB 3.45Å; F123-S126 PolarHBondContact O-N 2.91Å; F123-S126 VanDerWaalsContact O-N 3.14Å; S126-L129 PolarHBondContact O-N 3.14Å; S126-T130 WeakPolarHBondContact O-CB 3.03Å; S126-T130 WeakPolarHBondContact O-CG2 3.21Å; S126-T130 PolarHBondContact O-N 3.45Å; S126-T130 PolarHBondContact O-OG1 3.09Å |
| 127 | C | 86.1 | Confident | 80.1 | Confident | 27 Ų | 27 | 83.1 Ų | 83.1 | 18% | 0.182 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -60.8 | -45.7 | 172.3 | -70.8 | 0 | 0 | 0 | 0 | 111 | F123 A124 F125 L129 T130 L131 | F123-C127 PolarHBondContact O-N 2.97Å; F123-C127 PolarHBondContact O-SG 3.2Å; F123-C127 VanDerWaalsContact O-SG 3.41Å; A124-C127 PolarHBondContact O-N 3.39Å; F125-C127 PolarHBondContact O-N 3.13Å; C127-L129 PolarHBondContact O-N 3.44Å; C127-T130 PolarHBondContact O-N 2.92Å; C127-T130 PolarHBondContact O-OG1 3.45Å; C127-L131 HydrophobicContact CB-CD1 3.8Å; C127-L131 HydrophobicContact CB-CG 4.32Å; C127-L131 WeakPolarHBondContact O-CB 3.36Å; C127-L131 WeakPolarHBondContact O-CD1 3.41Å; C127-L131 WeakPolarHBondContact O-CG 3.37Å; C127-L131 PolarHBondContact O-N 2.81Å |
| 128 | L | 86.8 | Confident | 78.1 | Confident | 122 Ų | 122 | 84.1 Ų | 84.1 | 64% | 0.639 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -65.2 | -21.3 | 177.6 | -170.6 | 62.7 | 0 | 0 | 0 | 113.4 | A124 F125 P132 | A124-L128 WeakPolarHBondContact O-CB 3.3Å; A124-L128 PolarHBondContact O-N 3.45Å; F125-L128 CarbonylContact O-C 3.56Å; F125-L128 PolarHBondContact O-N 3.26Å; F125-L128 VanDerWaalsContact O-N 3.17Å; L128-P132 WeakPolarHBondContact O-CD 3.36Å; L128-P132 WeakPolarHBondContact O-CG 3.42Å |
| 129 | L | 80.8 | Confident | 76.3 | Confident | 55 Ų | 55 | 91.4 Ų | 91.4 | 29% | 0.288 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -87.9 | -33.8 | 174.2 | -85.7 | 154 | 0 | 0 | 0 | 113.2 | I94 F125 S126 C127 W134 | I94-L129 HydrophobicContact CD1-CB 4.32Å; I94-L129 HydrophobicContact CD1-CD1 3.7Å; F125-L129 HydrophobicContact CD1-CD1 3.5Å; F125-L129 HydrophobicContact CD2-CD1 4.46Å; F125-L129 HydrophobicContact CE1-CD1 3.14Å; F125-L129 HydrophobicContact CE1-CG 4.41Å; F125-L129 HydrophobicContact CE2-CD1 4.15Å; F125-L129 HydrophobicContact CG-CD1 4.17Å; F125-L129 HydrophobicContact CZ-CD1 3.5Å; F125-L129 HydrophobicContact CZ-CG 4.42Å; F125-L129 PolarHBondContact O-N 2.88Å; S126-L129 PolarHBondContact O-N 3.14Å; C127-L129 PolarHBondContact O-N 3.44Å; L129-W134 VanDerWaalsContact O-CD1 3.23Å; L129-W134 PolarHBondContact O-NE1 2.81Å |
| 130 | T | 75.9 | Confident | 74.1 | Confident | 48 Ų | 48 | 97 Ų | 97 | 29% | 0.294 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -92.3 | -26.5 | -175.2 | 53.8 | 0 | 0 | 0 | 0 | 113.6 | F91 S126 C127 | F91-T130 HydrophobicContact CB-CG2 4.29Å; S126-T130 WeakPolarHBondContact O-CB 3.03Å; S126-T130 WeakPolarHBondContact O-CG2 3.21Å; S126-T130 PolarHBondContact O-N 3.45Å; S126-T130 PolarHBondContact O-OG1 3.09Å; C127-T130 PolarHBondContact O-N 2.92Å; C127-T130 PolarHBondContact O-OG1 3.45Å |
| 131 | L | 68.8 | Low | 71.8 | Confident | 132 Ų | 132 | 97.1 Ų | 97.1 | 69% | 0.691 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -81.1 | -35.3 | -179.3 | -65.7 | 174 | 0 | 0 | 0 | 115.1 | C127 P133 | C127-L131 HydrophobicContact CB-CD1 3.8Å; C127-L131 HydrophobicContact CB-CG 4.32Å; C127-L131 WeakPolarHBondContact O-CB 3.36Å; C127-L131 WeakPolarHBondContact O-CD1 3.41Å; C127-L131 WeakPolarHBondContact O-CG 3.37Å; C127-L131 PolarHBondContact O-N 2.81Å; L131-P133 WeakPolarHBondContact O-CD 3.48Å |
| 132 | P | 64.9 | Low | 69.9 | Low | 44 Ų | 44 | 101.5 Ų | 101.5 | 29% | 0.286 | 51% | 0.505 | S | S | . | . | S | Bend | trans | -65.8 | 128.8 | 171.3 | -9.2 | 24 | 0 | 0 | 0 | 106.2 | L128 W134 | L128-P132 WeakPolarHBondContact O-CD 3.36Å; L128-P132 WeakPolarHBondContact O-CG 3.42Å; P132-W134 HydrophobicContact CB-CG 4.38Å; P132-W134 VanDerWaalsContact O-CD1 3.3Å; P132-W134 PolarHBondContact O-N 2.87Å |
| 133 | P | 59.7 | Low | 67.8 | Low | 106 Ų | 106 | 110 Ų | 110 | 69% | 0.688 | 54% | 0.539 | S | S | * | . | trans | -69.5 | 75.6 | 171.2 | 29.8 | -33.5 | 0 | 0 | 0 | 107.2 | L131 P135 | L131-P133 WeakPolarHBondContact O-CD 3.48Å; P133-P135 WeakPolarHBondContact O-CD 3.37Å | ||
| 134 | W | 64 | Low | 66 | Low | 149 Ų | 149 | 116.9 Ų | 116.9 | 56% | 0.564 | 56% | 0.562 | S | S | * | * | trans | -57.5 | 109 | -172 | -84.4 | 89.8 | 0 | 0 | 0 | 107.7 | L129 P132 I136 | L129-W134 VanDerWaalsContact O-CD1 3.23Å; L129-W134 PolarHBondContact O-NE1 2.81Å; P132-W134 HydrophobicContact CB-CG 4.38Å; P132-W134 VanDerWaalsContact O-CD1 3.3Å; P132-W134 PolarHBondContact O-N 2.87Å; W134-I136 HydrophobicContact CB-CG2 4.29Å; W134-I136 PolarHBondContact O-N 2.96Å | ||
| 135 | P | 56.3 | Low | 64.4 | Low | 83 Ų | 83 | 120.5 Ų | 120.5 | 54% | 0.539 | 57% | 0.573 | S | S | . | * | G | 310 helix | trans | -72.7 | 9.9 | -175 | 31.3 | -33.8 | 0 | 0 | 0 | 111.4 | P133 Y137 R138 | P133-P135 WeakPolarHBondContact O-CD 3.37Å; P135-Y137 PolarHBondContact O-N 3.13Å; P135-R138 WeakPolarHBondContact O-CB 3.23Å; P135-R138 PolarHBondContact O-N 2.87Å |
| 136 | I | 56.5 | Low | 62.7 | Low | 94 Ų | 94 | 120.2 Ų | 120.2 | 48% | 0.482 | 58% | 0.583 | S | S | . | * | G | 310 helix | trans | -63.2 | -21.8 | 177.5 | -150.7 | 78 | 0 | 0 | 0 | 111.9 | W134 | W134-I136 HydrophobicContact CB-CG2 4.29Å; W134-I136 PolarHBondContact O-N 2.96Å |
| 137 | Y | 50.5 | Low | 60.8 | Low | 175 Ų | 175 | 125.8 Ų | 125.8 | 69% | 0.686 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -85.3 | -9.9 | 169.7 | -85.7 | -86.4 | 0 | 0 | 0 | 114.7 | L86 P135 R139 | L86-Y137 HydrophobicContact CD2-CD2 4.17Å; L86-Y137 HydrophobicContact CD2-CE1 4.49Å; L86-Y137 HydrophobicContact CD2-CE2 3.2Å; L86-Y137 WeakPolarHBondContact CD2-OH 3.33Å; P135-Y137 PolarHBondContact O-N 3.13Å; Y137-R139 VanDerWaalsContact C-N 3.32Å |
| 138 | R | 53.4 | Low | 59.2 | Low | 194 Ų | 194 | 133.2 Ų | 133.2 | 73% | 0.732 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -88.7 | 10.2 | 176.7 | -68.4 | -172.5 | 179.3 | 169.1 | 0.9 | 113.7 | P135 H140 | P135-R138 WeakPolarHBondContact O-CB 3.23Å; P135-R138 PolarHBondContact O-N 2.87Å; R138-H140 VanDerWaalsContact C-N 3.35Å; R138-H140 PolarHBondContact O-N 3.09Å |
| 139 | R | 54.5 | Low | 57.1 | Low | 193 Ų | 193 | 133.8 Ų | 133.8 | 73% | 0.728 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -79 | -9.9 | -177.9 | -82.1 | -168.9 | 176 | 170.8 | 0.5 | 115.5 | Y137 P141 | Y137-R139 VanDerWaalsContact C-N 3.32Å; R139-P141 WeakPolarHBondContact O-CD 3.41Å |
| 140 | H | 47.1 | Very low | 55.7 | Low | 169 Ų | 169 | 136.9 Ų | 136.9 | 78% | 0.782 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -107.2 | 95.3 | 165 | -74.5 | -69.2 | 0 | 0 | 0 | 108.7 | R138 L142 | R138-H140 VanDerWaalsContact C-N 3.35Å; R138-H140 PolarHBondContact O-N 3.09Å; H140-L142 PolarHBondContact O-N 3.44Å |
| 141 | P | 48.3 | Very low | 54 | Low | 117 Ų | 117 | 139.3 Ų | 139.3 | 76% | 0.76 | 70% | 0.698 | S | S | * | * | trans | -56.3 | 108.3 | 165.4 | 24.6 | -32 | 0 | 0 | 0 | 106.7 | R139 K143 | R139-P141 WeakPolarHBondContact O-CD 3.41Å; P141-K143 PolarHBondContact O-N 2.9Å | ||
| 142 | L | 53.8 | Low | 52.8 | Low | 144 Ų | 144 | 139 Ų | 139 | 75% | 0.754 | 70% | 0.702 | S | S | * | * | trans | -56.7 | 110.3 | 166.4 | -77.1 | 160.2 | 0 | 0 | 0 | 105.1 | H140 W144 | H140-L142 PolarHBondContact O-N 3.44Å; L142-W144 VanDerWaalsContact O-CD1 3.23Å; L142-W144 PolarHBondContact O-N 2.9Å | ||
| 143 | K | 51.1 | Low | 51.8 | Low | 190 Ų | 190 | 144 Ų | 144 | 83% | 0.826 | 73% | 0.726 | S | S | * | * | trans | -59.1 | 96.6 | 168.8 | -178.9 | 176.7 | 179.8 | 176.5 | 0 | 105.4 | P141 L145 | P141-K143 PolarHBondContact O-N 2.9Å; K143-L145 PolarHBondContact O-N 3.31Å | ||
| 144 | W | 54.3 | Low | 51.3 | Low | 234 Ų | 234 | 145.9 Ų | 145.9 | 89% | 0.886 | 73% | 0.731 | S | S | * | * | trans | -52.7 | 105.8 | 171.1 | -53.7 | 88 | 0 | 0 | 0 | 106.1 | L142 | L142-W144 VanDerWaalsContact O-CD1 3.23Å; L142-W144 PolarHBondContact O-N 2.9Å | ||
| 145 | L | 60.6 | Low | 50.2 | Low | 134 Ų | 134 | 147.8 Ų | 147.8 | 70% | 0.702 | 74% | 0.743 | S | S | * | * | trans | -62.8 | 131.9 | 163.9 | -117.4 | 72.9 | 0 | 0 | 0 | 105.2 | K143 V147 | K143-L145 PolarHBondContact O-N 3.31Å; L145-V147 PolarHBondContact O-N 3.01Å | ||
| 146 | P | 53 | Low | 49.3 | Very low | 114 Ų | 114 | 153.4 Ų | 153.4 | 74% | 0.74 | 76% | 0.759 | S | S | * | * | trans | -52.8 | 143.2 | 174.7 | 23.1 | -32.5 | 0 | 0 | 0 | 109 | Q148 | P146-Q148 PolarHBondContact O-N 3.17Š| ||
| 147 | V | 50.7 | Low | 48.9 | Very low | 118 Ų | 118 | 154.7 Ų | 154.7 | 72% | 0.715 | 77% | 0.773 | S | S | * | * | trans | -43.1 | 116 | 174.1 | 176.6 | 0 | 0 | 0 | 0 | 107.6 | L145 D149 | L145-V147 PolarHBondContact O-N 3.01Å; V147-D149 PolarHBondContact O-N 3.21Å | ||
| 148 | Q | 51.6 | Low | 48.6 | Very low | 183 Ų | 183 | 149.7 Ų | 149.7 | 86% | 0.855 | 78% | 0.775 | S | S | * | * | trans | -73.4 | 89.9 | 170.8 | -159.3 | 170.4 | 96 | 0 | 0 | 105 | P146 S150 | P146-Q148 PolarHBondContact O-N 3.17Å; Q148-S150 PolarHBondContact O-N 3.24Å | ||
| 149 | D | 43.6 | Very low | 48.1 | Very low | 133 Ų | 133 | 147.6 Ų | 147.6 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | trans | -55 | 122.5 | 172.3 | -70.6 | -41 | 0 | 0 | 0 | 107.8 | V147 S151 | V147-D149 PolarHBondContact O-N 3.21Å; D149-S151 PolarHBondContact O-N 3.19Å; D149-S151 VanDerWaalsContact O-N 3.17Å | ||
| 150 | S | 50.4 | Low | 47.5 | Very low | 120 Ų | 120 | 147.7 Ų | 147.7 | 84% | 0.839 | 77% | 0.774 | S | S | * | * | trans | -66.7 | 108.4 | 177.1 | 52.1 | 0 | 0 | 0 | 0 | 110.3 | Q148 | Q148-S150 PolarHBondContact O-N 3.24Š| ||
| 151 | S | 40.5 | Very low | 47.4 | Very low | 100 Ų | 100 | 148.3 Ų | 148.3 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | trans | -164.9 | 110.9 | 153.1 | 50.5 | 0 | 0 | 0 | 0 | 112.4 | D149 | D149-S151 PolarHBondContact O-N 3.19Å; D149-S151 VanDerWaalsContact O-N 3.17Å | ||
| 152 | T | 44.4 | Very low | 47.8 | Very low | 126 Ų | 126 | 149.9 Ų | 149.9 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | trans | 73.3 | 100.6 | 150.7 | -48.6 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 153 | D | 42.6 | Very low | 47.5 | Very low | 148 Ų | 148 | 150.9 Ų | 150.9 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | -152.3 | 95.8 | 118.5 | -156.7 | -107.8 | 0 | 0 | 0 | 110.3 | K155 | D153-K155 PolarHBondContact O-N 3.2Š| |||
| 154 | D | 49.9 | Very low | 47.4 | Very low | 145 Ų | 145 | 152.4 Ų | 152.4 | 78% | 0.775 | 77% | 0.774 | S | S | * | * | trans | -63.5 | 110.3 | 157.6 | -78.5 | -90.3 | 0 | 0 | 0 | 109.7 | ||||
| 155 | K | 40.2 | Very low | 47 | Very low | 189 Ų | 189 | 148.9 Ų | 148.9 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | trans | -164.9 | 105.1 | 140.4 | -113.4 | 163.4 | -172.8 | 152.1 | 0 | 116.2 | D153 | D153-K155 PolarHBondContact O-N 3.2Š| ||
| 156 | K | 38 | Very low | 46.7 | Very low | 201 Ų | 201 | 147 Ų | 147 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | trans | 82.6 | 142.7 | 135.4 | -101.7 | -158.6 | 173.2 | -178.5 | 0 | 121.5 | ||||
| 157 | P | 48.9 | Very low | 46.8 | Very low | 121 Ų | 121 | 150.7 Ų | 150.7 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | trans | -97 | 154.5 | -173.5 | 40.2 | -32.3 | 0 | 0 | 0 | 112.6 | ||||
| 158 | G | 43.5 | Very low | 46.8 | Very low | 70 Ų | 70 | 152.1 Ų | 152.1 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | trans | -166.4 | 96.2 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 159 | E | 42.2 | Very low | 47.1 | Very low | 150 Ų | 150 | 154.5 Ų | 154.5 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | 64.2 | 121.5 | 96.4 | -95.9 | -154.3 | 131.1 | 0 | 0 | 116.1 | |||||
| 160 | R | 43 | Very low | 47.3 | Very low | 196 Ų | 196 | 155.6 Ų | 155.6 | 74% | 0.74 | 80% | 0.801 | S | S | * | * | trans | 76.9 | 108.5 | 146 | -56.7 | 168.1 | -168.9 | -173.9 | 14.9 | 117.8 | ||||
| 161 | K | 45.8 | Very low | 47.1 | Very low | 181 Ų | 181 | 157.4 Ų | 157.4 | 79% | 0.787 | 80% | 0.799 | S | S | * | * | -178.7 | 104.4 | 87.7 | -87.7 | -151.1 | -171.4 | -169.1 | 0 | 111.7 | K163 | K161-K163 PolarHBondContact O-N 3.35Š| |||
| 162 | I | 55.3 | Low | 47.5 | Very low | 151 Ų | 151 | 160.6 Ų | 160.6 | 77% | 0.774 | 81% | 0.805 | S | S | * | * | trans | -69 | 102 | 150.6 | -69.3 | 158.6 | 0 | 0 | 0 | 106.2 | R164 | I162-R164 HydrophobicContact CG2-CG 3.87Å; I162-R164 PolarHBondContact O-N 3.36Å | ||
| 163 | K | 47.6 | Very low | 47.7 | Very low | 165 Ų | 165 | 162.6 Ų | 162.6 | 72% | 0.717 | 81% | 0.807 | S | S | * | * | trans | -89 | 78.9 | 172.9 | -147.9 | -179.4 | -174 | -171.4 | 0 | 108.1 | K161 H165 | K161-K163 PolarHBondContact O-N 3.35Å; K163-H165 PolarHBondContact O-N 3.35Å | ||
| 164 | R | 49.7 | Very low | 48 | Very low | 222 Ų | 222 | 163.6 Ų | 163.6 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | trans | -60.9 | 112.5 | 162.3 | -77.3 | 174 | -169 | -169.3 | 2.9 | 107.2 | I162 A166 | I162-R164 HydrophobicContact CG2-CG 3.87Å; I162-R164 PolarHBondContact O-N 3.36Å; R164-A166 PolarHBondContact O-N 3.39Å | ||
| 165 | H | 46.3 | Very low | 47.9 | Very low | 159 Ų | 159 | 164.8 Ų | 164.8 | 74% | 0.736 | 81% | 0.81 | S | S | * | * | trans | -87.9 | 92 | 168.3 | -129.5 | -85.7 | 0 | 0 | 0 | 107.8 | K163 | K163-H165 PolarHBondContact O-N 3.35Š| ||
| 166 | A | 54.1 | Low | 48.4 | Very low | 94 Ų | 94 | 163.1 Ų | 163.1 | 78% | 0.777 | 81% | 0.809 | S | S | * | * | trans | -89.7 | 123.9 | 157.6 | 0 | 0 | 0 | 0 | 0 | 107.1 | R164 | R164-A166 PolarHBondContact O-N 3.39Š| ||
| 167 | K | 55.2 | Low | 49.2 | Very low | 192 Ų | 192 | 160.2 Ų | 160.2 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | trans | -143.9 | 107.6 | 154.6 | -162.8 | 162 | -174.3 | 175.8 | 0 | 108.8 | ||||
| 168 | N | 50.9 | Low | 49.3 | Very low | 149 Ų | 149 | 163.4 Ų | 163.4 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | trans | -89.3 | 147.2 | 161.9 | 56.3 | 2.1 | 0 | 0 | 0 | 109 | ||||
| 169 | N | 57.5 | Low | 49.8 | Very low | 232 Ų | 232 | 171.9 Ų | 171.9 | 100% | 1.241 | 81% | 0.813 | S | S | * | * | 160.8 | 0 | 129.6 | -168.6 | 51.1 | 0 | 0 | 0 | 107.9 |
Retrieved 169 of 169 residues in 87.7 ms
(Link to these results)