| 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 | 43.5 | Very low | 40.2 | Very low | 238 Ų | 238 | 125.5 Ų | 125.5 | 100% | 1.172 | 77% | 0.77 | S | S | * | * | 0 | 94.3 | 0 | -73.6 | 168.8 | 167.1 | 0 | 0 | 105 | |||||
| 2 | A | 42.2 | Very low | 40.3 | Very low | 94 Ų | 94 | 128.2 Ų | 128.2 | 78% | 0.777 | 77% | 0.77 | S | S | * | * | 53.5 | 116.8 | 76.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 3 | T | 45.5 | Very low | 40.1 | Very low | 126 Ų | 126 | 127.4 Ų | 127.4 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | cis | -158.3 | 149.5 | 42.1 | 50.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 4 | Q | 45.7 | Very low | 39.6 | Very low | 170 Ų | 170 | 126.4 Ų | 126.4 | 79% | 0.794 | 76% | 0.755 | S | S | * | * | 47.4 | 143.8 | 67.5 | -73.9 | -157.6 | -60.9 | 0 | 0 | 112.4 | |||||
| 5 | D | 43.7 | Very low | 39.1 | Very low | 136 Ų | 136 | 129.6 Ų | 129.6 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | cis | -178.7 | 176.8 | -1.2 | -122.4 | -75.2 | 0 | 0 | 0 | 104 | ||||
| 6 | G | 37.5 | Very low | 38.7 | Very low | 65 Ų | 65 | 129.1 Ų | 129.1 | 67% | 0.67 | 76% | 0.758 | S | S | * | * | trans | 110.5 | 99.7 | 152.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 7 | D | 37.9 | Very low | 38.6 | Very low | 154 Ų | 154 | 132.5 Ų | 132.5 | 82% | 0.824 | 77% | 0.765 | S | S | * | * | cis | 79.4 | 137.3 | 49.6 | -160.8 | -134.5 | 0 | 0 | 0 | 114.3 | ||||
| 8 | D | 37.4 | Very low | 38.4 | Very low | 145 Ų | 145 | 130.7 Ų | 130.7 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | trans | 86.7 | 137 | 149.5 | -141.4 | -113.6 | 0 | 0 | 0 | 122.3 | ||||
| 9 | G | 32.2 | Very low | 38.2 | Very low | 53 Ų | 53 | 132.8 Ų | 132.8 | 55% | 0.546 | 77% | 0.767 | S | S | . | * | trans | 122 | 94.5 | 141.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 10 | A | 35.7 | Very low | 38.3 | Very low | 88 Ų | 88 | 132.5 Ų | 132.5 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | 77.6 | 132.5 | 85.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 11 | V | 40.3 | Very low | 37.9 | Very low | 112 Ų | 112 | 131.1 Ų | 131.1 | 68% | 0.679 | 76% | 0.763 | S | S | * | * | cis | 178 | 157.9 | 26.2 | -106.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 12 | M | 42.1 | Very low | 37.4 | Very low | 157 Ų | 157 | 128.1 Ų | 128.1 | 77% | 0.773 | 75% | 0.746 | S | S | * | * | trans | 68 | 143.8 | 137 | -76.4 | 160.8 | -178.3 | 0 | 0 | 119.1 | ||||
| 13 | D | 37.7 | Very low | 36.9 | Very low | 118 Ų | 118 | 127.7 Ų | 127.7 | 63% | 0.631 | 74% | 0.742 | S | S | * | * | cis | -164.6 | 131.8 | 15.2 | -105.4 | -42.2 | 0 | 0 | 0 | 106.5 | ||||
| 14 | T | 32.4 | Very low | 36.3 | Very low | 114 Ų | 114 | 130.6 Ų | 130.6 | 70% | 0.699 | 75% | 0.747 | S | S | * | * | 67.1 | 146.7 | 91.9 | 63.2 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 15 | E | 33.1 | Very low | 35.6 | Very low | 174 Ų | 174 | 126 Ų | 126 | 81% | 0.813 | 74% | 0.738 | S | S | * | * | trans | 84.2 | 140 | 172.9 | -63.8 | -167.4 | 90.2 | 0 | 0 | 117.6 | ||||
| 16 | T | 32.1 | Very low | 34.8 | Very low | 122 Ų | 122 | 128.8 Ų | 128.8 | 75% | 0.748 | 74% | 0.744 | S | S | * | * | cis | -161.1 | 158.7 | 4.7 | -0.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 17 | E | 36.4 | Very low | 34.3 | Very low | 187 Ų | 187 | 129.6 Ų | 129.6 | 87% | 0.874 | 75% | 0.753 | S | S | * | * | trans | -69.1 | 144.5 | 170.8 | -172.1 | -176.4 | 142.8 | 0 | 0 | 112.9 | ||||
| 18 | A | 34.9 | Very low | 33.8 | Very low | 99 Ų | 99 | 129.2 Ų | 129.2 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | trans | -164.8 | 117.2 | 152.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 19 | K | 35.1 | Very low | 33.4 | Very low | 172 Ų | 172 | 129.7 Ų | 129.7 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | trans | -84.7 | 153 | 154.4 | -169 | -173.8 | 177 | -174 | 0 | 108.1 | ||||
| 20 | P | 41.1 | Very low | 33.2 | Very low | 126 Ų | 126 | 130.8 Ų | 130.8 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | -145.1 | -172.5 | 115.2 | 30.1 | -9.4 | 0 | 0 | 0 | 114.2 | |||||
| 21 | T | 29.6 | Very low | 32.8 | Very low | 103 Ų | 103 | 133.8 Ų | 133.8 | 63% | 0.632 | 74% | 0.743 | S | S | * | * | trans | -125.7 | -176.6 | -146.5 | -40.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 22 | E | 33.4 | Very low | 32.2 | Very low | 175 Ų | 175 | 136.2 Ų | 136.2 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | trans | 99.1 | 116.9 | 163 | -64.8 | 175.2 | 99.2 | 0 | 0 | 115.6 | ||||
| 23 | A | 32 | Very low | 31.5 | Very low | 85 Ų | 85 | 132.7 Ų | 132.7 | 70% | 0.702 | 74% | 0.741 | S | S | * | * | 66.4 | 114 | 53.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 24 | E | 32.5 | Very low | 31 | Very low | 188 Ų | 188 | 134.4 Ų | 134.4 | 88% | 0.879 | 75% | 0.75 | S | S | * | * | 163.9 | 169.5 | 90.1 | -78.9 | -148.9 | 138.6 | 0 | 0 | 105.8 | |||||
| 25 | A | 30.9 | Very low | 30.8 | Very low | 73 Ų | 73 | 132.7 Ų | 132.7 | 60% | 0.603 | 75% | 0.748 | S | S | * | * | cis | -174.2 | 157.9 | -17.8 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 26 | F | 26 | Very low | 30.8 | Very low | 195 Ų | 195 | 133 Ų | 133 | 86% | 0.855 | 75% | 0.749 | S | S | * | * | trans | 53.9 | 138.8 | 142.3 | -94.2 | -100.3 | 0 | 0 | 0 | 123.7 | ||||
| 27 | G | 27.3 | Very low | 31.1 | Very low | 82 Ų | 82 | 132.2 Ų | 132.2 | 85% | 0.845 | 75% | 0.746 | S | S | * | * | trans | -179.5 | 85.7 | 165.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 28 | E | 27.8 | Very low | 30.6 | Very low | 146 Ų | 146 | 129 Ų | 129 | 68% | 0.682 | 74% | 0.739 | S | S | * | * | trans | -79.6 | 151.8 | -179.4 | 178.3 | -179.4 | 120.4 | 0 | 0 | 113.6 | V30 | E28-V30 HydrophobicContact CG-CG2 3.74Š| ||
| 29 | N | 28.6 | Very low | 30.3 | Very low | 154 Ų | 154 | 128.5 Ų | 128.5 | 82% | 0.824 | 73% | 0.73 | S | S | * | * | trans | -176.6 | 115.7 | 144.4 | -130.1 | 19 | 0 | 0 | 0 | 107.8 | ||||
| 30 | V | 27.6 | Very low | 30 | Very low | 77 Ų | 77 | 127.8 Ų | 127.8 | 47% | 0.467 | 73% | 0.733 | S | S | . | * | cis | 86.7 | 120.6 | 45.1 | -179.3 | 0 | 0 | 0 | 0 | 114.5 | E28 | E28-V30 HydrophobicContact CG-CG2 3.74Š| ||
| 31 | E | 27.3 | Very low | 29.4 | Very low | 150 Ų | 150 | 127.7 Ų | 127.7 | 70% | 0.701 | 73% | 0.731 | S | S | * | * | trans | 73 | 148.7 | 154.2 | -86.7 | 172.1 | 78.9 | 0 | 0 | 120 | ||||
| 32 | K | 28.8 | Very low | 29.3 | Very low | 163 Ų | 163 | 130 Ų | 130 | 71% | 0.709 | 74% | 0.739 | S | S | * | * | cis | -169 | 157.8 | 19.2 | -145.9 | -163.8 | -172.9 | 79.1 | 0 | 111 | ||||
| 33 | A | 27.2 | Very low | 29.2 | Very low | 84 Ų | 84 | 125.9 Ų | 125.9 | 69% | 0.694 | 74% | 0.735 | S | S | * | * | trans | 63.3 | 154.2 | 134.6 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 34 | D | 26.2 | Very low | 29 | Very low | 154 Ų | 154 | 125.5 Ų | 125.5 | 82% | 0.824 | 74% | 0.739 | S | S | * | * | cis | -179.7 | 167.1 | -14.6 | -177.4 | -121.5 | 0 | 0 | 0 | 105.6 | ||||
| 35 | A | 29 | Very low | 28.8 | Very low | 78 Ų | 78 | 123.9 Ų | 123.9 | 65% | 0.645 | 74% | 0.737 | S | S | * | * | trans | 84.6 | 106.4 | 153.9 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 36 | E | 33.2 | Very low | 28.7 | Very low | 181 Ų | 181 | 124.8 Ų | 124.8 | 85% | 0.846 | 74% | 0.744 | S | S | * | * | trans | -58.2 | 165.1 | 137.1 | -72.1 | -177.9 | 79.5 | 0 | 0 | 110.6 | ||||
| 37 | P | 37.3 | Very low | 28.9 | Very low | 104 Ų | 104 | 120.9 Ų | 120.9 | 68% | 0.675 | 74% | 0.736 | S | S | * | * | -152.7 | 152.8 | 98.2 | 38.8 | -20.7 | 0 | 0 | 0 | 116.2 | |||||
| 38 | T | 27.2 | Very low | 29.1 | Very low | 121 Ų | 121 | 122.4 Ų | 122.4 | 74% | 0.742 | 73% | 0.729 | S | S | * | * | trans | 63.4 | 152.3 | 133.5 | 57 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 39 | S | 28 | Very low | 29.3 | Very low | 88 Ų | 88 | 124 Ų | 124 | 62% | 0.615 | 74% | 0.736 | S | S | * | * | cis | 172.7 | 143.2 | -10.4 | 53.4 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 40 | L | 29.5 | Very low | 29.5 | Very low | 157 Ų | 157 | 123.3 Ų | 123.3 | 82% | 0.822 | 73% | 0.733 | S | S | * | * | trans | 61.6 | 149.4 | 143.5 | -59.2 | 168.6 | 0 | 0 | 0 | 117.9 | ||||
| 41 | T | 27.4 | Very low | 29.7 | Very low | 124 Ų | 124 | 123.7 Ų | 123.7 | 76% | 0.761 | 74% | 0.739 | S | S | * | * | cis | -178.6 | 175.7 | 16.7 | 14.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 42 | D | 28.3 | Very low | 30.3 | Very low | 150 Ų | 150 | 122.7 Ų | 122.7 | 80% | 0.802 | 75% | 0.749 | S | S | * | * | trans | 100.3 | 108.3 | 157.1 | -140 | 58.2 | 0 | 0 | 0 | 115.4 | ||||
| 43 | A | 31.6 | Very low | 30.9 | Very low | 89 Ų | 89 | 122.7 Ų | 122.7 | 74% | 0.736 | 76% | 0.755 | S | S | * | * | cis | 77.3 | 121.2 | 43.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 44 | G | 27.1 | Very low | 31.7 | Very low | 77 Ų | 77 | 124.1 Ų | 124.1 | 79% | 0.794 | 76% | 0.76 | S | S | * | * | trans | 134.8 | 81 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 45 | N | 28.7 | Very low | 32.4 | Very low | 155 Ų | 155 | 124.1 Ų | 124.1 | 83% | 0.829 | 76% | 0.76 | S | S | * | * | 68.5 | 113.4 | 81.7 | -168 | 40.6 | 0 | 0 | 0 | 115.5 | |||||
| 46 | A | 29.5 | Very low | 32.5 | Very low | 91 Ų | 91 | 123.9 Ų | 123.9 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | trans | 173 | 96.5 | 131.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 47 | T | 29.4 | Very low | 32.8 | Very low | 114 Ų | 114 | 122 Ų | 122 | 70% | 0.699 | 76% | 0.761 | S | S | * | * | 21.5 | 120.2 | 126.1 | -53.4 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 48 | T | 30.6 | Very low | 32.8 | Very low | 113 Ų | 113 | 125.3 Ų | 125.3 | 69% | 0.693 | 77% | 0.773 | S | S | * | * | 171.7 | 125.6 | 100.2 | 38 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 49 | Q | 33.2 | Very low | 33.5 | Very low | 179 Ų | 179 | 122.1 Ų | 122.1 | 84% | 0.836 | 76% | 0.758 | S | S | * | * | trans | 44.7 | 128.9 | 130.5 | -58.1 | 175.6 | -6.8 | 0 | 0 | 118.1 | ||||
| 50 | D | 31.6 | Very low | 34.3 | Very low | 140 Ų | 140 | 123.9 Ų | 123.9 | 75% | 0.749 | 76% | 0.761 | S | S | * | * | -171.4 | 144 | 53.9 | -169.7 | -115.3 | 0 | 0 | 0 | 112.3 | |||||
| 51 | S | 33.4 | Very low | 35.2 | Very low | 85 Ų | 85 | 121.9 Ų | 121.9 | 59% | 0.594 | 75% | 0.751 | S | S | * | * | trans | 42.3 | 113.2 | 148.6 | -52.4 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 52 | S | 40.1 | Very low | 36.7 | Very low | 129 Ų | 129 | 124.2 Ų | 124.2 | 90% | 0.902 | 75% | 0.751 | S | S | * | * | -161.1 | 127.4 | 119.4 | -76 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 53 | I | 41.2 | Very low | 38.5 | Very low | 163 Ų | 163 | 121.7 Ų | 121.7 | 84% | 0.836 | 73% | 0.734 | S | S | * | * | trans | -81 | 135.2 | -168.5 | -61 | 163.3 | 0 | 0 | 0 | 111 | ||||
| 54 | S | 42.9 | Very low | 40.9 | Very low | 115 Ų | 115 | 122.8 Ų | 122.8 | 80% | 0.804 | 72% | 0.724 | S | S | * | * | trans | -162 | 129.5 | 134.7 | -169.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 55 | N | 41.2 | Very low | 43.8 | Very low | 154 Ų | 154 | 121.7 Ų | 121.7 | 82% | 0.824 | 70% | 0.702 | S | S | * | * | trans | -62.4 | 146.5 | -177.5 | -69.4 | -33.5 | 0 | 0 | 0 | 113.6 | ||||
| 56 | G | 31.7 | Very low | 46.6 | Very low | 72 Ų | 72 | 114.8 Ų | 114.8 | 74% | 0.742 | 67% | 0.665 | S | S | * | * | 110.9 | 99.5 | 129.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 57 | D | 39.1 | Very low | 49.5 | Very low | 143 Ų | 143 | 113.5 Ų | 113.5 | 77% | 0.765 | 65% | 0.646 | S | S | * | * | trans | 69.6 | 80.8 | 138.5 | -142.3 | 52.7 | 0 | 0 | 0 | 117.1 | A59 | D57-A59 VanDerWaalsContact C-N 3.29Š| ||
| 58 | D | 37.7 | Very low | 52.5 | Low | 173 Ų | 173 | 108.2 Ų | 108.2 | 93% | 0.925 | 61% | 0.613 | S | S | * | * | trans | -98.9 | 75.5 | 144.2 | -85.5 | -67.6 | 0 | 0 | 0 | 106.5 | D60 | D58-D60 PolarHBondContact O-N 3.2Š| ||
| 59 | A | 40.7 | Very low | 55.4 | Low | 54 Ų | 54 | 106.3 Ų | 106.3 | 45% | 0.446 | 60% | 0.595 | S | S | . | * | trans | -46.4 | 124.8 | 159.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | D57 D61 | D57-A59 VanDerWaalsContact C-N 3.29Å; A59-D61 PolarHBondContact O-N 2.68Å | ||
| 60 | D | 45.6 | Very low | 58.2 | Low | 124 Ų | 124 | 97.8 Ų | 97.8 | 66% | 0.663 | 56% | 0.556 | S | S | * | * | trans | -55.3 | 76.7 | 158.4 | -178.4 | 58.8 | 0 | 0 | 0 | 107.8 | D58 K62 | D58-D60 PolarHBondContact O-N 3.2Å; D60-K62 PolarHBondContact O-N 2.92Å; D60-K62 WeakPolarHBondContact OD2-CG 3.49Å; D60-K62 IonicContact OD2-NZ 3.57Å; D60-K62 PolarHBondContact OD2-NZ 2.69Å | ||
| 61 | D | 49 | Very low | 61 | Low | 115 Ų | 115 | 92.3 Ų | 92.3 | 62% | 0.615 | 53% | 0.526 | S | S | * | . | trans | -75.5 | 88.7 | 174.1 | -134.9 | -0.7 | 0 | 0 | 0 | 104.3 | A59 Q63 | A59-D61 PolarHBondContact O-N 2.68Å; D61-Q63 HydrophobicContact CB-CG 4.2Å; D61-Q63 PolarHBondContact O-N 2.69Å; D61-Q63 PolarHBondContact OD2-NE2 2.95Å | ||
| 62 | K | 58.9 | Low | 63.6 | Low | 174 Ų | 174 | 89.7 Ų | 89.7 | 76% | 0.757 | 50% | 0.503 | S | S | * | . | trans | -61.6 | 62.6 | 168.6 | -74.6 | -172.9 | 177.8 | 67.4 | 0 | 109.5 | D60 E64 | D60-K62 PolarHBondContact O-N 2.92Å; D60-K62 WeakPolarHBondContact OD2-CG 3.49Å; D60-K62 IonicContact OD2-NZ 3.57Å; D60-K62 PolarHBondContact OD2-NZ 2.69Å; K62-E64 PolarHBondContact O-N 3.03Å | ||
| 63 | Q | 65.9 | Low | 65.7 | Low | 97 Ų | 97 | 88 Ų | 88 | 45% | 0.453 | 49% | 0.491 | S | S | . | . | trans | -74.7 | 110.4 | 172.7 | -68.7 | -172.3 | 6.2 | 0 | 0 | 106.9 | D61 T65 P82 | D61-Q63 HydrophobicContact CB-CG 4.2Å; D61-Q63 PolarHBondContact O-N 2.69Å; D61-Q63 PolarHBondContact OD2-NE2 2.95Å; Q63-T65 WeakPolarHBondContact O-CG2 3.46Å; Q63-T65 PolarHBondContact O-N 3.22Å; Q63-P82 HydrophobicContact CB-CB 4.38Å | ||
| 64 | E | 81.1 | Confident | 67.6 | Low | 111 Ų | 111 | 89.9 Ų | 89.9 | 52% | 0.519 | 49% | 0.493 | S | S | . | . | trans | -56.3 | 112 | 174.6 | -175.6 | -177.8 | -172.8 | 0 | 0 | 108.5 | K62 V83 R120 | K62-E64 PolarHBondContact O-N 3.03Å; E64-V83 HydrophobicContact CB-CG2 3.82Å; E64-V83 HydrophobicContact CG-CG1 4.24Å; E64-V83 HydrophobicContact CG-CG2 4.06Å; E64-V83 WeakPolarHBondContact O-CG1 3.3Å; E64-V83 VanDerWaalsContact O-CG2 3.27Å; E64-V83 WeakPolarHBondContact O-CG2 2.9Å; E64-V83 PolarHBondContact O-N 2.85Å; E64-R120 IonicContact OE2-CZ 2.86Å; E64-R120 VanDerWaalsContact OE2-CZ 3.29Å; E64-R120 IonicContact OE2-NH1 3.46Å; E64-R120 PolarHBondContact OE2-NH1 3.2Å; E64-R120 IonicContact OE2-NH2 3.64Å; E64-R120 PolarHBondContact OE2-NH2 3.36Å | ||
| 65 | T | 87.4 | Confident | 69.6 | Low | 55 Ų | 55 | 88.4 Ų | 88.4 | 34% | 0.337 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 145 | 180 | 57.9 | 0 | 0 | 0 | 0 | 111.4 | Q63 K80 I81 | Q63-T65 WeakPolarHBondContact O-CG2 3.46Å; Q63-T65 PolarHBondContact O-N 3.22Å; T65-K80 WeakPolarHBondContact OG1-CE 3.09Å; T65-I81 WeakPolarHBondContact CA-O 3.32Å |
| 66 | V | 88.8 | Confident | 72 | Confident | 9 Ų | 9 | 87.9 Ų | 87.9 | 6% | 0.055 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 140.4 | 169 | -81.1 | 0 | 0 | 0 | 0 | 111 | L68 K80 I81 V83 L119 | V66-L68 HydrophobicContact CB-CD2 4.19Å; V66-L68 HydrophobicContact CG2-CD1 4.44Å; V66-L68 HydrophobicContact CG2-CD2 3.99Å; V66-L68 HydrophobicContact CG2-CG 4.24Å; V66-K80 WeakPolarHBondContact O-CA 3.46Å; V66-I81 HydrophobicContact CG2-CG2 4.11Å; V66-I81 WeakPolarHBondContact CG2-O 3.41Å; V66-I81 PolarHBondContact N-O 2.95Å; V66-I81 PolarHBondContact O-N 3.09Å; V66-V83 HydrophobicContact CB-CG1 4Å; V66-V83 HydrophobicContact CG1-CG1 3.28Å; V66-V83 HydrophobicContact CG2-CG1 3.76Å; V66-L119 HydrophobicContact CG2-CD1 4.38Å |
| 67 | D | 89.9 | Confident | 74.8 | Confident | 65 Ų | 65 | 87.4 Ų | 87.4 | 35% | 0.348 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 128.8 | 169.4 | -44 | -66.6 | 0 | 0 | 0 | 108.9 | K80 N126 G127 | D67-K80 VanDerWaalsContact OD1-CD 3.29Å; D67-K80 WeakPolarHBondContact OD1-CD 3.09Å; D67-K80 VanDerWaalsContact OD1-CG 3.3Å; D67-K80 WeakPolarHBondContact OD1-CG 3.35Å; D67-N126 WeakPolarHBondContact CA-OD1 3.29Å; D67-N126 WeakPolarHBondContact CB-OD1 3.47Å; D67-N126 PolarHBondContact N-OD1 2.76Å; D67-N126 PolarHBondContact O-OD1 3.2Å; D67-N126 VanDerWaalsContact O-OD1 3.11Å; D67-N126 PolarHBondContact OD2-ND2 2.93Å; D67-N126 VanDerWaalsContact OD2-ND2 3.09Å; D67-N126 PolarHBondContact OD2-OD1 3.47Å; D67-N126 VanDerWaalsContact OD2-OD1 3.13Å; D67-G127 WeakPolarHBondContact O-CA 3.27Å; D67-G127 PolarHBondContact O-N 2.86Å |
| 68 | L | 91.6 | Very high | 77.2 | Confident | 3 Ų | 3 | 86.3 Ų | 86.3 | 2% | 0.016 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 146.4 | -172.9 | -53.3 | 176.4 | 0 | 0 | 0 | 109.4 | V66 I70 D78 L79 I81 L90 L119 V124 A128 I130 | V66-L68 HydrophobicContact CB-CD2 4.19Å; V66-L68 HydrophobicContact CG2-CD1 4.44Å; V66-L68 HydrophobicContact CG2-CD2 3.99Å; V66-L68 HydrophobicContact CG2-CG 4.24Å; L68-I70 HydrophobicContact CB-CD1 4.34Å; L68-D78 WeakPolarHBondContact O-CA 3.39Å; L68-L79 WeakPolarHBondContact CB-O 3.48Å; L68-L79 PolarHBondContact N-O 3.13Å; L68-L79 PolarHBondContact O-N 3.27Å; L68-I81 HydrophobicContact CD1-CG2 3.41Å; L68-I81 VanDerWaalsContact CD1-CG2 3.41Å; L68-I81 HydrophobicContact CG-CG2 4.23Å; L68-L90 HydrophobicContact CD1-CD1 3.93Å; L68-L119 HydrophobicContact CD1-CD1 4.27Å; L68-V124 HydrophobicContact CD1-CG1 4.5Å; L68-V124 HydrophobicContact CD2-CG1 3.25Å; L68-A128 HydrophobicContact CD2-CB 3.89Å; L68-I130 HydrophobicContact CB-CD1 4.42Å; L68-I130 HydrophobicContact CD1-CD1 3.8Å; L68-I130 HydrophobicContact CD2-CD1 4.42Å; L68-I130 HydrophobicContact CG-CD1 4.45Å |
| 69 | K | 92.1 | Very high | 79.7 | Confident | 73 Ų | 73 | 78.8 Ų | 78.8 | 32% | 0.317 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 101.3 | 174.7 | -159.6 | 171.2 | -146.7 | 77.7 | 0 | 109.8 | K76 Y77 D78 A128 K129 I130 | K69-K76 HydrophobicContact CD-CD 4.48Å; K69-Y77 CarbonylContact C-O 3.53Å; K69-Y77 WeakPolarHBondContact CA-O 3.4Å; K69-D78 IonicContact NZ-OD1 3.57Å; K69-D78 PolarHBondContact NZ-OD1 3.42Å; K69-D78 IonicContact NZ-OD2 2.64Å; K69-A128 PolarHBondContact N-O 2.73Å; K69-K129 CarbonylContact O-C 3.54Å; K69-K129 WeakPolarHBondContact O-CA 3.45Å; K69-I130 PolarHBondContact O-N 2.97Å |
| 70 | I | 93.1 | Very high | 82.1 | Confident | 0 Ų | 0 | 82.1 Ų | 82.1 | 0% | 0 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 131.6 | 177.5 | -50 | -52.5 | 0 | 0 | 0 | 109.2 | L68 K76 Y77 L79 L90 I94 I130 V132 | L68-I70 HydrophobicContact CB-CD1 4.34Å; I70-K76 CarbonylContact O-C 3.58Å; I70-K76 WeakPolarHBondContact O-CA 3.49Å; I70-Y77 PolarHBondContact N-O 3Å; I70-Y77 PolarHBondContact O-N 2.98Å; I70-L79 HydrophobicContact CD1-CB 4.45Å; I70-L79 HydrophobicContact CD1-CD2 4.1Å; I70-L79 HydrophobicContact CG1-CB 3.91Å; I70-L79 HydrophobicContact CG1-CD2 4.1Å; I70-L90 HydrophobicContact CD1-CD1 4.41Å; I70-I94 HydrophobicContact CD1-CD1 4.3Å; I70-I94 HydrophobicContact CD1-CG1 4.18Å; I70-I94 HydrophobicContact CG1-CG1 4.3Å; I70-I94 HydrophobicContact CG2-CG1 4.16Å; I70-I130 CarbonylContact C-O 3.58Å; I70-I130 WeakPolarHBondContact CA-O 3.45Å; I70-I130 HydrophobicContact CD1-CB 3.8Å; I70-I130 HydrophobicContact CD1-CD1 4.2Å; I70-I130 HydrophobicContact CD1-CG1 4.33Å; I70-I130 HydrophobicContact CD1-CG2 4.19Å; I70-V132 HydrophobicContact CG2-CG2 3.6Å |
| 71 | I | 89 | Confident | 84.2 | Confident | 25 Ų | 25 | 76.3 Ų | 76.3 | 13% | 0.128 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 117.3 | 179.9 | -60.2 | -177.3 | 0 | 0 | 0 | 109.6 | N75 K76 K129 I130 M131 V132 | I71-N75 WeakPolarHBondContact CA-O 3.46Å; I71-K76 HydrophobicContact CD1-CG 4.44Å; I71-K76 HydrophobicContact CG1-CG 4.21Å; I71-K129 HydrophobicContact CD1-CD 3.71Å; I71-K129 HydrophobicContact CD1-CG 3.43Å; I71-K129 VanDerWaalsContact CD1-CG 3.43Å; I71-K129 HydrophobicContact CG1-CG 4.26Å; I71-I130 PolarHBondContact N-O 3.06Å; I71-M131 HydrophobicContact CB-CG 4.39Å; I71-V132 PolarHBondContact O-N 3.16Å |
| 72 | W | 89.5 | Confident | 86.1 | Confident | 29 Ų | 29 | 72.2 Ų | 72.2 | 11% | 0.11 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 129.1 | -177.1 | 176.2 | 59.4 | 0 | 0 | 0 | 109.5 | K74 N75 Y77 T98 V132 G134 T136 | W72-K74 VanDerWaalsContact C-N 3.26Å; W72-K74 PolarHBondContact O-N 3.03Å; W72-K74 VanDerWaalsContact O-N 3.16Å; W72-N75 PolarHBondContact N-O 2.9Å; W72-N75 WeakPolarHBondContact O-CA 3.4Å; W72-N75 WeakPolarHBondContact O-CB 3.48Å; W72-N75 PolarHBondContact O-N 2.75Å; W72-Y77 HydrophobicContact CB-CE2 4.4Å; W72-Y77 HydrophobicContact CE3-CE2 4.22Å; W72-T98 HydrophobicContact CB-CG2 4.26Å; W72-T98 HydrophobicContact CD2-CG2 3.92Å; W72-T98 VanDerWaalsContact CE3-CB 3.43Å; W72-T98 HydrophobicContact CE3-CG2 3.46Å; W72-T98 VanDerWaalsContact CE3-CG2 3.46Å; W72-T98 HydrophobicContact CG-CG2 4.27Å; W72-T98 VanDerWaalsContact CH2-O 3.29Å; W72-T98 WeakPolarHBondContact CH2-O 3.28Å; W72-T98 HydrophobicContact CZ3-CG2 4.1Å; W72-T98 WeakPolarHBondContact CZ3-O 3.48Å; W72-V132 HydrophobicContact CB-CB 4.22Å; W72-G134 PolarHBondContact NE1-O 2.77Å; W72-T136 HydrophobicContact CH2-CG2 3.55Å; W72-T136 HydrophobicContact CZ2-CG2 3.62Å |
| 73 | S | 83.5 | Confident | 87.5 | Confident | 94 Ų | 94 | 64.2 Ų | 64.2 | 66% | 0.657 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.3 | 44.7 | -178.3 | -149.9 | 0 | 0 | 0 | 0 | 114.4 | N75 | S73-N75 PolarHBondContact O-N 2.86Å; S73-N75 VanDerWaalsContact O-N 3.11Å |
| 74 | K | 81.6 | Confident | 88.4 | Confident | 202 Ų | 202 | 63.6 Ų | 63.6 | 88% | 0.878 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68 | -6.9 | -175.3 | -53.9 | 174 | -179.4 | 172.6 | 0 | 115.9 | W72 | W72-K74 VanDerWaalsContact C-N 3.26Å; W72-K74 PolarHBondContact O-N 3.03Å; W72-K74 VanDerWaalsContact O-N 3.16Å |
| 75 | N | 84.4 | Confident | 88.7 | Confident | 85 Ų | 85 | 59.1 Ų | 59.1 | 46% | 0.455 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 149.2 | 172.3 | -61.8 | -36.3 | 0 | 0 | 0 | 110.8 | I71 W72 S73 Y77 | I71-N75 WeakPolarHBondContact CA-O 3.46Å; W72-N75 PolarHBondContact N-O 2.9Å; W72-N75 WeakPolarHBondContact O-CA 3.4Å; W72-N75 WeakPolarHBondContact O-CB 3.48Å; W72-N75 PolarHBondContact O-N 2.75Å; S73-N75 PolarHBondContact O-N 2.86Å; S73-N75 VanDerWaalsContact O-N 3.11Å; N75-Y77 HydrophobicContact CB-CE2 3.65Å |
| 76 | K | 91.4 | Very high | 88.8 | Confident | 143 Ų | 143 | 59.1 Ų | 59.1 | 62% | 0.622 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 130.3 | 179.2 | -58.2 | 179.5 | -174.9 | 170.1 | 0 | 108.7 | K69 I70 I71 | K69-K76 HydrophobicContact CD-CD 4.48Å; I70-K76 CarbonylContact O-C 3.58Å; I70-K76 WeakPolarHBondContact O-CA 3.49Å; I71-K76 HydrophobicContact CD1-CG 4.44Å; I71-K76 HydrophobicContact CG1-CG 4.21Å |
| 77 | Y | 90.8 | Very high | 88.7 | Confident | 61 Ų | 61 | 58.7 Ų | 58.7 | 24% | 0.239 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 134.7 | 177.4 | -50.5 | -91.4 | 0 | 0 | 0 | 108.7 | K69 I70 W72 N75 T98 | K69-Y77 CarbonylContact C-O 3.53Å; K69-Y77 WeakPolarHBondContact CA-O 3.4Å; I70-Y77 PolarHBondContact N-O 3Å; I70-Y77 PolarHBondContact O-N 2.98Å; W72-Y77 HydrophobicContact CB-CE2 4.4Å; W72-Y77 HydrophobicContact CE3-CE2 4.22Å; N75-Y77 HydrophobicContact CB-CE2 3.65Å; Y77-T98 HydrophobicContact CD2-CG2 4.41Å; Y77-T98 HydrophobicContact CE2-CG2 4.12Å |
| 78 | D | 89.8 | Confident | 88.6 | Confident | 120 Ų | 120 | 57.2 Ų | 57.2 | 64% | 0.642 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93 | 127.5 | 174.2 | -62.9 | -40.9 | 0 | 0 | 0 | 108.3 | L68 K69 | L68-D78 WeakPolarHBondContact O-CA 3.39Å; K69-D78 IonicContact NZ-OD1 3.57Å; K69-D78 PolarHBondContact NZ-OD1 3.42Å; K69-D78 IonicContact NZ-OD2 2.64Å |
| 79 | L | 89.4 | Confident | 88.4 | Confident | 15 Ų | 15 | 62.4 Ų | 62.4 | 8% | 0.079 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 125.8 | -175.3 | 175.8 | 69.5 | 0 | 0 | 0 | 109.6 | L68 I70 L90 R93 L97 | L68-L79 WeakPolarHBondContact CB-O 3.48Å; L68-L79 PolarHBondContact N-O 3.13Å; L68-L79 PolarHBondContact O-N 3.27Å; I70-L79 HydrophobicContact CD1-CB 4.45Å; I70-L79 HydrophobicContact CD1-CD2 4.1Å; I70-L79 HydrophobicContact CG1-CB 3.91Å; I70-L79 HydrophobicContact CG1-CD2 4.1Å; L79-L90 HydrophobicContact CD2-CD1 3.54Å; L79-R93 HydrophobicContact CD1-CB 3.89Å; L79-R93 HydrophobicContact CD1-CG 4.37Å; L79-R93 HydrophobicContact CD2-CB 3.84Å; L79-L97 HydrophobicContact CB-CD1 4.16Å; L79-L97 HydrophobicContact CD1-CD1 3.87Å; L79-L97 HydrophobicContact CG-CD1 4.44Å |
| 80 | K | 90.9 | Very high | 88.3 | Confident | 125 Ų | 125 | 59 Ų | 59 | 54% | 0.543 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 125.4 | 173.1 | -171.7 | 170.8 | -172.9 | 172.3 | 0 | 110.2 | T65 V66 D67 | T65-K80 WeakPolarHBondContact OG1-CE 3.09Å; V66-K80 WeakPolarHBondContact O-CA 3.46Å; D67-K80 VanDerWaalsContact OD1-CD 3.29Å; D67-K80 WeakPolarHBondContact OD1-CD 3.09Å; D67-K80 VanDerWaalsContact OD1-CG 3.3Å; D67-K80 WeakPolarHBondContact OD1-CG 3.35Å |
| 81 | I | 89.4 | Confident | 88.2 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 144.9 | -176.8 | -168.4 | 171.4 | 0 | 0 | 0 | 110.8 | T65 V66 L68 S85 L90 R93 L119 | T65-I81 WeakPolarHBondContact CA-O 3.32Å; V66-I81 HydrophobicContact CG2-CG2 4.11Å; V66-I81 WeakPolarHBondContact CG2-O 3.41Å; V66-I81 PolarHBondContact N-O 2.95Å; V66-I81 PolarHBondContact O-N 3.09Å; L68-I81 HydrophobicContact CD1-CG2 3.41Å; L68-I81 VanDerWaalsContact CD1-CG2 3.41Å; L68-I81 HydrophobicContact CG-CG2 4.23Å; I81-S85 WeakPolarHBondContact CG1-OG 3.26Å; I81-L90 HydrophobicContact CD1-CB 4.19Å; I81-L90 HydrophobicContact CD1-CD1 4.31Å; I81-R93 HydrophobicContact CD1-CG 4.11Å; I81-L119 HydrophobicContact CD1-CD1 4.28Å; I81-L119 HydrophobicContact CG1-CD1 4.43Å; I81-L119 HydrophobicContact CG2-CD1 3.41Å; I81-L119 VanDerWaalsContact CG2-CD1 3.41Å |
| 82 | P | 90.4 | Very high | 88.3 | Confident | 29 Ų | 29 | 64.1 Ų | 64.1 | 19% | 0.188 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 138 | 173.2 | -24.5 | 34.4 | 0 | 0 | 0 | 112 | Q63 D84 S85 | Q63-P82 HydrophobicContact CB-CB 4.38Å; P82-D84 PolarHBondContact O-N 3.04Å; P82-S85 WeakPolarHBondContact O-CB 3.47Å; P82-S85 PolarHBondContact O-N 3.32Å; P82-S85 PolarHBondContact O-OG 3.1Å |
| 83 | V | 87.3 | Confident | 88.3 | Confident | 7 Ų | 7 | 69 Ų | 69 | 4% | 0.042 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -26.2 | -179.1 | -64.4 | 0 | 0 | 0 | 0 | 113.6 | E64 V66 S85 L119 R120 | E64-V83 HydrophobicContact CB-CG2 3.82Å; E64-V83 HydrophobicContact CG-CG1 4.24Å; E64-V83 HydrophobicContact CG-CG2 4.06Å; E64-V83 WeakPolarHBondContact O-CG1 3.3Å; E64-V83 VanDerWaalsContact O-CG2 3.27Å; E64-V83 WeakPolarHBondContact O-CG2 2.9Å; E64-V83 PolarHBondContact O-N 2.85Å; V66-V83 HydrophobicContact CB-CG1 4Å; V66-V83 HydrophobicContact CG1-CG1 3.28Å; V66-V83 HydrophobicContact CG2-CG1 3.76Å; V83-S85 PolarHBondContact O-N 2.69Å; V83-L119 WeakPolarHBondContact O-CB 3.35Å; V83-L119 PolarHBondContact O-N 3.29Å; V83-R120 PolarHBondContact O-N 2.85Å |
| 84 | D | 84.9 | Confident | 88.6 | Confident | 84 Ų | 84 | 64.6 Ų | 64.6 | 45% | 0.449 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 1.5 | 178 | -52.1 | -50 | 0 | 0 | 0 | 111.7 | P82 R120 | P82-D84 PolarHBondContact O-N 3.04Å; D84-R120 IonicContact OD1-CZ 2.7Å; D84-R120 IonicContact OD1-NE 3.2Å; D84-R120 PolarHBondContact OD1-NE 2.64Å; D84-R120 IonicContact OD1-NH2 2.76Å; D84-R120 PolarHBondContact OD1-NH2 3.24Å; D84-R120 IonicContact OD2-NH2 2.69Å |
| 85 | S | 86.8 | Confident | 88.9 | Confident | 17 Ų | 17 | 58.6 Ų | 58.6 | 12% | 0.119 | 28% | 0.284 | C | S | . | . | trans | -66.6 | 144.6 | 171 | -61.1 | 0 | 0 | 0 | 0 | 111 | I81 P82 V83 T118 L119 | I81-S85 WeakPolarHBondContact CG1-OG 3.26Å; P82-S85 WeakPolarHBondContact O-CB 3.47Å; P82-S85 PolarHBondContact O-N 3.32Å; P82-S85 PolarHBondContact O-OG 3.1Å; V83-S85 PolarHBondContact O-N 2.69Å; S85-T118 WeakPolarHBondContact O-CA 3.33Å; S85-L119 WeakPolarHBondContact O-CG 3.4Å; S85-L119 PolarHBondContact O-N 3.12Å | ||
| 86 | T | 90.6 | Very high | 89 | Confident | 54 Ų | 54 | 58.8 Ų | 58.8 | 33% | 0.331 | 30% | 0.297 | S | S | . | . | B | Isolated β-bridge | trans | -79.7 | 162.4 | 175.2 | 59.8 | 0 | 0 | 0 | 0 | 111.9 | A88 K89 L90 | T86-A88 PolarHBondContact O-N 3.21Å; T86-K89 WeakPolarHBondContact O-CB 3.26Å; T86-K89 PolarHBondContact O-N 3.37Å; T86-K89 VanDerWaalsContact O-N 3.12Å; T86-K89 PolarHBondContact OG1-N 3.28Å; T86-L90 PolarHBondContact O-N 3.01Å; T86-L90 VanDerWaalsContact O-N 3.11Å |
| 87 | G | 86.4 | Confident | 88.8 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.1 | -31.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L90 K91 E115 K117 | G87-L90 PolarHBondContact O-N 2.79Å; G87-K91 WeakPolarHBondContact O-CG 3.47Å; G87-K91 PolarHBondContact O-N 3.19Å; G87-E115 PolarHBondContact N-O 3.16Å; G87-K117 PolarHBondContact N-O 3.21Å |
| 88 | A | 87.1 | Confident | 88.4 | Confident | 35 Ų | 35 | 53.1 Ų | 53.1 | 29% | 0.289 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.9 | -48.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | T86 L90 K91 E92 E115 | T86-A88 PolarHBondContact O-N 3.21Å; A88-L90 VanDerWaalsContact C-N 3.28Å; A88-L90 PolarHBondContact O-N 3.42Å; A88-K91 WeakPolarHBondContact O-CB 3.45Å; A88-K91 PolarHBondContact O-N 2.82Å; A88-K91 VanDerWaalsContact O-N 3.09Å; A88-E92 PolarHBondContact O-N 3.48Å; A88-E115 HydrophobicContact CB-CB 4.29Å; A88-E115 PolarHBondContact N-O 3.49Å |
| 89 | K | 88.4 | Confident | 88.1 | Confident | 112 Ų | 112 | 49.5 Ų | 49.5 | 49% | 0.487 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.5 | -37.5 | 177.6 | -153 | 92.5 | 173 | -174.1 | 0 | 111.7 | T86 E92 R93 | T86-K89 WeakPolarHBondContact O-CB 3.26Å; T86-K89 PolarHBondContact O-N 3.37Å; T86-K89 VanDerWaalsContact O-N 3.12Å; T86-K89 PolarHBondContact OG1-N 3.28Å; K89-E92 PolarHBondContact O-N 3.48Å; K89-R93 WeakPolarHBondContact O-CG 3.49Å; K89-R93 PolarHBondContact O-N 2.82Å |
| 90 | L | 89.8 | Confident | 87.8 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.8 | -44.2 | 174 | 176.1 | 64.4 | 0 | 0 | 0 | 111.3 | L68 I70 L79 I81 T86 G87 A88 E92 R93 I94 V107 L113 L119 I130 | L68-L90 HydrophobicContact CD1-CD1 3.93Å; I70-L90 HydrophobicContact CD1-CD1 4.41Å; L79-L90 HydrophobicContact CD2-CD1 3.54Å; I81-L90 HydrophobicContact CD1-CB 4.19Å; I81-L90 HydrophobicContact CD1-CD1 4.31Å; T86-L90 PolarHBondContact O-N 3.01Å; T86-L90 VanDerWaalsContact O-N 3.11Å; G87-L90 PolarHBondContact O-N 2.79Å; A88-L90 VanDerWaalsContact C-N 3.28Å; A88-L90 PolarHBondContact O-N 3.42Å; L90-E92 VanDerWaalsContact C-N 3.34Å; L90-E92 PolarHBondContact O-N 3.38Å; L90-R93 PolarHBondContact O-N 3.16Å; L90-I94 HydrophobicContact CD1-CD1 4.13Å; L90-I94 HydrophobicContact CD1-CG1 4.38Å; L90-I94 HydrophobicContact CD2-CD1 4.46Å; L90-I94 HydrophobicContact CG-CD1 3.84Å; L90-I94 VanDerWaalsContact O-CG1 3.26Å; L90-I94 WeakPolarHBondContact O-CG1 3.47Å; L90-I94 PolarHBondContact O-N 3.29Å; L90-V107 HydrophobicContact CD2-CG1 4.41Å; L90-L113 HydrophobicContact CD2-CD1 3.84Å; L90-L113 HydrophobicContact CD2-CD2 4.14Å; L90-L119 HydrophobicContact CB-CD2 4.34Å; L90-L119 HydrophobicContact CD2-CD2 3.72Å; L90-I130 HydrophobicContact CD1-CD1 4.44Å; L90-I130 HydrophobicContact CD2-CD1 3.62Å |
| 91 | K | 90.3 | Very high | 87.5 | Confident | 22 Ų | 22 | 44.3 Ų | 44.3 | 10% | 0.096 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.4 | -39.3 | 175.5 | -73.6 | -172.8 | 177.7 | -166 | 0 | 112.6 | G87 A88 I94 H95 P102 Q105 V107 E115 | G87-K91 WeakPolarHBondContact O-CG 3.47Å; G87-K91 PolarHBondContact O-N 3.19Å; A88-K91 WeakPolarHBondContact O-CB 3.45Å; A88-K91 PolarHBondContact O-N 2.82Å; A88-K91 VanDerWaalsContact O-N 3.09Å; K91-I94 PolarHBondContact O-N 2.65Å; K91-H95 WeakPolarHBondContact O-CB 3.42Å; K91-H95 PolarHBondContact O-N 3.02Å; K91-P102 HydrophobicContact CB-CB 4.09Å; K91-P102 HydrophobicContact CD-CB 4.46Å; K91-Q105 HydrophobicContact CD-CB 4.49Å; K91-Q105 PolarHBondContact NZ-O 3.02Å; K91-Q105 PolarHBondContact O-NE2 2.85Å; K91-Q105 PolarHBondContact O-OE1 3.24Å; K91-V107 HydrophobicContact CD-CG2 4.47Å; K91-V107 HydrophobicContact CG-CG2 3.82Å; K91-E115 HydrophobicContact CD-CG 4.16Å; K91-E115 VanDerWaalsContact CD-OE1 3.29Å; K91-E115 WeakPolarHBondContact CD-OE1 3.26Å; K91-E115 VanDerWaalsContact CE-OE1 3.26Å; K91-E115 WeakPolarHBondContact CE-OE1 3.29Å; K91-E115 IonicContact NZ-OE1 2.81Å; K91-E115 PolarHBondContact NZ-OE1 3.09Å |
| 92 | E | 90.4 | Very high | 87.3 | Confident | 112 Ų | 112 | 46.2 Ų | 46.2 | 52% | 0.523 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.4 | -43.8 | 173.6 | -69.8 | 176.8 | 170.2 | 0 | 0 | 111.9 | A88 K89 L90 I94 H95 A96 | A88-E92 PolarHBondContact O-N 3.48Å; K89-E92 PolarHBondContact O-N 3.48Å; L90-E92 VanDerWaalsContact C-N 3.34Å; L90-E92 PolarHBondContact O-N 3.38Å; E92-I94 VanDerWaalsContact C-N 3.34Å; E92-I94 PolarHBondContact O-N 2.99Å; E92-H95 WeakPolarHBondContact O-CB 3.05Å; E92-H95 PolarHBondContact O-N 3.35Å; E92-A96 PolarHBondContact O-N 3.26Å |
| 93 | R | 89.7 | Confident | 87 | Confident | 132 Ų | 132 | 49.7 Ų | 49.7 | 50% | 0.498 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.5 | -39.8 | 175.1 | -71.2 | -62.9 | -161.5 | 159 | 4.3 | 112.3 | L79 I81 K89 L90 H95 A96 L97 | L79-R93 HydrophobicContact CD1-CB 3.89Å; L79-R93 HydrophobicContact CD1-CG 4.37Å; L79-R93 HydrophobicContact CD2-CB 3.84Å; I81-R93 HydrophobicContact CD1-CG 4.11Å; K89-R93 WeakPolarHBondContact O-CG 3.49Å; K89-R93 PolarHBondContact O-N 2.82Å; L90-R93 PolarHBondContact O-N 3.16Å; R93-H95 VanDerWaalsContact C-N 3.33Å; R93-A96 PolarHBondContact O-N 3.39Å; R93-L97 WeakPolarHBondContact O-CG 3.43Å; R93-L97 PolarHBondContact O-N 3.36Å |
| 94 | I | 89.8 | Confident | 86.7 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.1 | -39.4 | 173.8 | -68.7 | 162.9 | 0 | 0 | 0 | 110.6 | I70 L90 K91 E92 A96 L97 T98 Q105 V107 V132 | I70-I94 HydrophobicContact CD1-CD1 4.3Å; I70-I94 HydrophobicContact CD1-CG1 4.18Å; I70-I94 HydrophobicContact CG1-CG1 4.3Å; I70-I94 HydrophobicContact CG2-CG1 4.16Å; L90-I94 HydrophobicContact CD1-CD1 4.13Å; L90-I94 HydrophobicContact CD1-CG1 4.38Å; L90-I94 HydrophobicContact CD2-CD1 4.46Å; L90-I94 HydrophobicContact CG-CD1 3.84Å; L90-I94 VanDerWaalsContact O-CG1 3.26Å; L90-I94 WeakPolarHBondContact O-CG1 3.47Å; L90-I94 PolarHBondContact O-N 3.29Å; K91-I94 PolarHBondContact O-N 2.65Å; E92-I94 VanDerWaalsContact C-N 3.34Å; E92-I94 PolarHBondContact O-N 2.99Å; I94-A96 PolarHBondContact O-N 3.45Å; I94-L97 PolarHBondContact O-N 2.82Å; I94-T98 HydrophobicContact CG2-CG2 4.17Å; I94-T98 WeakPolarHBondContact O-CB 3.46Å; I94-T98 PolarHBondContact O-N 2.89Å; I94-T98 PolarHBondContact O-OG1 3.09Å; I94-Q105 HydrophobicContact CG2-CG 4.43Å; I94-V107 HydrophobicContact CD1-CG1 4.17Å; I94-V107 HydrophobicContact CD1-CG2 3.83Å; I94-V132 HydrophobicContact CD1-CG2 3.82Å; I94-V132 HydrophobicContact CG1-CG2 4.43Å; I94-V132 HydrophobicContact CG2-CG1 4.03Å; I94-V132 HydrophobicContact CG2-CG2 4Å |
| 95 | H | 88.4 | Confident | 86.7 | Confident | 77 Ų | 77 | 50.1 Ų | 50.1 | 36% | 0.356 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.2 | -46.2 | 176 | -179.4 | -158.4 | 0 | 0 | 0 | 110.8 | K91 E92 R93 L97 T98 G99 L100 P102 | K91-H95 WeakPolarHBondContact O-CB 3.42Å; K91-H95 PolarHBondContact O-N 3.02Å; E92-H95 WeakPolarHBondContact O-CB 3.05Å; E92-H95 PolarHBondContact O-N 3.35Å; R93-H95 VanDerWaalsContact C-N 3.33Å; H95-L97 PolarHBondContact O-N 2.76Å; H95-T98 PolarHBondContact O-N 3.38Å; H95-G99 VanDerWaalsContact O-CA 3.28Å; H95-G99 WeakPolarHBondContact O-CA 3.46Å; H95-G99 PolarHBondContact O-N 3.11Å; H95-L100 WeakPolarHBondContact CA-O 3.45Å; H95-L100 VanDerWaalsContact CB-O 3.26Å; H95-L100 WeakPolarHBondContact CB-O 3.38Å; H95-L100 PolarHBondContact CD2-O 3.12Å; H95-L100 VanDerWaalsContact CG-O 3.29Å; H95-P102 HydrophobicContact CB-CG 4.34Å |
| 96 | A | 87.4 | Confident | 86.8 | Confident | 88 Ų | 88 | 54.7 Ų | 54.7 | 73% | 0.727 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -60.3 | -33.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | E92 R93 I94 | E92-A96 PolarHBondContact O-N 3.26Å; R93-A96 PolarHBondContact O-N 3.39Å; I94-A96 PolarHBondContact O-N 3.45Å |
| 97 | L | 85.9 | Confident | 86.6 | Confident | 73 Ų | 73 | 52.2 Ų | 52.2 | 38% | 0.382 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -84.1 | -35.9 | 179.7 | -69.2 | 175.4 | 0 | 0 | 0 | 114 | L79 R93 I94 H95 | L79-L97 HydrophobicContact CB-CD1 4.16Å; L79-L97 HydrophobicContact CD1-CD1 3.87Å; L79-L97 HydrophobicContact CG-CD1 4.44Å; R93-L97 WeakPolarHBondContact O-CG 3.43Å; R93-L97 PolarHBondContact O-N 3.36Å; I94-L97 PolarHBondContact O-N 2.82Å; H95-L97 PolarHBondContact O-N 2.76Å |
| 98 | T | 83.5 | Confident | 86.7 | Confident | 13 Ų | 13 | 55.5 Ų | 55.5 | 8% | 0.08 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -109.5 | -14.1 | -169.2 | 61.6 | 0 | 0 | 0 | 0 | 113.7 | W72 Y77 I94 H95 L100 | W72-T98 HydrophobicContact CB-CG2 4.26Å; W72-T98 HydrophobicContact CD2-CG2 3.92Å; W72-T98 VanDerWaalsContact CE3-CB 3.43Å; W72-T98 HydrophobicContact CE3-CG2 3.46Å; W72-T98 VanDerWaalsContact CE3-CG2 3.46Å; W72-T98 HydrophobicContact CG-CG2 4.27Å; W72-T98 VanDerWaalsContact CH2-O 3.29Å; W72-T98 WeakPolarHBondContact CH2-O 3.28Å; W72-T98 HydrophobicContact CZ3-CG2 4.1Å; W72-T98 WeakPolarHBondContact CZ3-O 3.48Å; Y77-T98 HydrophobicContact CD2-CG2 4.41Å; Y77-T98 HydrophobicContact CE2-CG2 4.12Å; I94-T98 HydrophobicContact CG2-CG2 4.17Å; I94-T98 WeakPolarHBondContact O-CB 3.46Å; I94-T98 PolarHBondContact O-N 2.89Å; I94-T98 PolarHBondContact O-OG1 3.09Å; H95-T98 PolarHBondContact O-N 3.38Å; T98-L100 PolarHBondContact O-N 3.39Å; T98-L100 WeakPolarHBondContact OG1-CB 3.28Å; T98-L100 PolarHBondContact OG1-N 3Å |
| 99 | G | 82.6 | Confident | 86.6 | Confident | 44 Ų | 44 | 55 Ų | 55 | 45% | 0.454 | 30% | 0.302 | S | S | . | . | trans | 69.1 | 8.9 | -171 | 0 | 0 | 0 | 0 | 0 | 113.8 | H95 P101 | H95-G99 VanDerWaalsContact O-CA 3.28Å; H95-G99 WeakPolarHBondContact O-CA 3.46Å; H95-G99 PolarHBondContact O-N 3.11Å; G99-P101 WeakPolarHBondContact O-CD 3.29Å | ||
| 100 | L | 83.8 | Confident | 86.3 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | trans | -86.2 | 120 | 179.6 | -172.7 | 60.7 | 0 | 0 | 0 | 110.3 | H95 T98 M104 Q105 V132 S135 | H95-L100 WeakPolarHBondContact CA-O 3.45Å; H95-L100 VanDerWaalsContact CB-O 3.26Å; H95-L100 WeakPolarHBondContact CB-O 3.38Å; H95-L100 PolarHBondContact CD2-O 3.12Å; H95-L100 VanDerWaalsContact CG-O 3.29Å; T98-L100 PolarHBondContact O-N 3.39Å; T98-L100 WeakPolarHBondContact OG1-CB 3.28Å; T98-L100 PolarHBondContact OG1-N 3Å; L100-M104 HydrophobicContact CD1-CB 3.97Å; L100-Q105 HydrophobicContact CB-CG 4.04Å; L100-Q105 HydrophobicContact CD2-CB 4.29Å; L100-Q105 HydrophobicContact CD2-CG 3.59Å; L100-Q105 HydrophobicContact CG-CG 3.56Å; L100-Q105 PolarHBondContact O-NE2 3.21Å; L100-V132 HydrophobicContact CD2-CG1 3.91Å; L100-S135 WeakPolarHBondContact CD1-O 3.47Å | ||
| 101 | P | 85.1 | Confident | 86 | Confident | 30 Ų | 30 | 59.8 Ų | 59.8 | 20% | 0.195 | 34% | 0.336 | C | S | . | . | trans | -62.8 | 142.1 | 179.4 | -24.5 | 35 | 0 | 0 | 0 | 112.3 | G99 A103 M104 Q105 I137 | G99-P101 WeakPolarHBondContact O-CD 3.29Å; P101-A103 PolarHBondContact O-N 2.7Å; P101-M104 WeakPolarHBondContact O-CA 3.33Å; P101-M104 PolarHBondContact O-N 2.84Å; P101-Q105 WeakPolarHBondContact O-CG 3.34Å; P101-Q105 PolarHBondContact O-N 2.74Å; P101-I137 HydrophobicContact CG-CD1 4.26Å | ||
| 102 | P | 85.1 | Confident | 85.6 | Confident | 41 Ų | 41 | 64.5 Ų | 64.5 | 27% | 0.266 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -51.4 | -35.8 | -177 | -30.9 | 36.8 | 0 | 0 | 0 | 115.2 | K91 H95 M104 Q105 | K91-P102 HydrophobicContact CB-CB 4.09Å; K91-P102 HydrophobicContact CD-CB 4.46Å; H95-P102 HydrophobicContact CB-CG 4.34Å; P102-M104 VanDerWaalsContact C-N 3.27Å; P102-M104 PolarHBondContact O-N 3.11Å; P102-Q105 PolarHBondContact O-N 2.97Å |
| 103 | A | 82.8 | Confident | 85.4 | Confident | 103 Ų | 103 | 59.6 Ų | 59.6 | 85% | 0.851 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -64.9 | -27.8 | 177 | 0 | 0 | 0 | 0 | 0 | 113.6 | P101 | P101-A103 PolarHBondContact O-N 2.7Š|
| 104 | M | 81.6 | Confident | 85.2 | Confident | 93 Ų | 93 | 55.8 Ų | 55.8 | 46% | 0.458 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -98.5 | 2.3 | 178.4 | -62.9 | -177 | 179.4 | 0 | 0 | 112.5 | L100 P101 P102 G134 I137 | L100-M104 HydrophobicContact CD1-CB 3.97Å; P101-M104 WeakPolarHBondContact O-CA 3.33Å; P101-M104 PolarHBondContact O-N 2.84Å; P102-M104 VanDerWaalsContact C-N 3.27Å; P102-M104 PolarHBondContact O-N 3.11Å; M104-G134 WeakPolarHBondContact O-CA 3.34Å; M104-I137 HydrophobicContact CE-CG1 4.44Å; M104-I137 HydrophobicContact SD-CG1 4.33Å |
| 105 | Q | 85.2 | Confident | 84.9 | Confident | 6 Ų | 6 | 59.8 Ų | 59.8 | 3% | 0.028 | 35% | 0.351 | C | S | . | . | trans | -90.9 | 111.6 | 176.9 | -66.8 | 177 | 31.2 | 0 | 0 | 111.7 | K91 I94 L100 P101 P102 V107 V132 | K91-Q105 HydrophobicContact CD-CB 4.49Å; K91-Q105 PolarHBondContact NZ-O 3.02Å; K91-Q105 PolarHBondContact O-NE2 2.85Å; K91-Q105 PolarHBondContact O-OE1 3.24Å; I94-Q105 HydrophobicContact CG2-CG 4.43Å; L100-Q105 HydrophobicContact CB-CG 4.04Å; L100-Q105 HydrophobicContact CD2-CB 4.29Å; L100-Q105 HydrophobicContact CD2-CG 3.59Å; L100-Q105 HydrophobicContact CG-CG 3.56Å; L100-Q105 PolarHBondContact O-NE2 3.21Å; P101-Q105 WeakPolarHBondContact O-CG 3.34Å; P101-Q105 PolarHBondContact O-N 2.74Å; P102-Q105 PolarHBondContact O-N 2.97Å; Q105-V107 HydrophobicContact CB-CG2 4.08Å; Q105-V107 PolarHBondContact O-N 3.22Å; Q105-V132 HydrophobicContact CB-CG1 4.43Å; Q105-V132 HydrophobicContact CG-CG1 4.42Å | ||
| 106 | K | 88.1 | Confident | 84.6 | Confident | 114 Ų | 114 | 63.4 Ų | 63.4 | 50% | 0.496 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 91.5 | 163.7 | -172.8 | 174.7 | -175.6 | 169.7 | 0 | 109.3 | M108 L112 V133 | K106-M108 HydrophobicContact CG-CG 4.46Å; K106-L112 HydrophobicContact CD-CD1 4.44Å; K106-L112 HydrophobicContact CG-CD1 3.73Å; K106-V133 WeakPolarHBondContact CA-O 3.49Å; K106-V133 HydrophobicContact CB-CB 4.15Å; K106-V133 WeakPolarHBondContact CB-O 3.03Å; K106-V133 PolarHBondContact N-O 2.86Å; K106-V133 PolarHBondContact O-N 2.87Å |
| 107 | V | 87.9 | Confident | 84.5 | Confident | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.006 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 127.8 | 178.7 | -173.9 | 0 | 0 | 0 | 0 | 109.9 | L90 K91 I94 Q105 L113 I130 V132 | L90-V107 HydrophobicContact CD2-CG1 4.41Å; K91-V107 HydrophobicContact CD-CG2 4.47Å; K91-V107 HydrophobicContact CG-CG2 3.82Å; I94-V107 HydrophobicContact CD1-CG1 4.17Å; I94-V107 HydrophobicContact CD1-CG2 3.83Å; Q105-V107 HydrophobicContact CB-CG2 4.08Å; Q105-V107 PolarHBondContact O-N 3.22Å; V107-L113 HydrophobicContact CB-CB 4Å; V107-L113 HydrophobicContact CB-CD2 4.25Å; V107-L113 HydrophobicContact CG1-CB 3.99Å; V107-L113 HydrophobicContact CG1-CD1 4.25Å; V107-L113 HydrophobicContact CG1-CD2 4.12Å; V107-L113 HydrophobicContact CG1-CG 4.36Å; V107-L113 WeakPolarHBondContact O-CB 3.49Å; V107-L113 PolarHBondContact O-N 3.37Å; V107-I130 HydrophobicContact CG1-CG2 3.34Å; V107-V132 HydrophobicContact CG2-CG1 4.47Å; V107-V132 HydrophobicContact CG2-CG2 4.29Å |
| 108 | M | 87.6 | Confident | 84.7 | Confident | 69 Ų | 69 | 62.5 Ų | 62.5 | 34% | 0.34 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 122.1 | -177.3 | -61.1 | -164.2 | -61.8 | 0 | 0 | 111.3 | K106 G111 M131 V133 | K106-M108 HydrophobicContact CG-CG 4.46Å; M108-G111 CarbonylContact C-O 3.59Å; M108-G111 VanDerWaalsContact CA-O 3.24Å; M108-G111 WeakPolarHBondContact CA-O 3.44Å; M108-M131 HydrophobicContact CB-CB 4.39Å; M108-M131 HydrophobicContact CE-CB 4.39Å; M108-M131 PolarHBondContact N-O 3.11Å; M108-M131 PolarHBondContact O-N 2.85Å; M108-V133 HydrophobicContact CE-CG2 3.87Å |
| 109 | Y | 85.8 | Confident | 84.8 | Confident | 24 Ų | 24 | 61.9 Ų | 61.9 | 9% | 0.094 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -149.8 | 114.1 | 169.5 | 177.5 | -98.8 | 0 | 0 | 0 | 108.8 | G111 I122 K123 V124 A128 I130 | Y109-G111 CarbonylContact C-O 3.56Å; Y109-G111 PolarHBondContact N-O 3.44Å; Y109-G111 PolarHBondContact O-N 3.11Å; Y109-I122 HydrophobicContact CD1-CG2 3.87Å; Y109-I122 HydrophobicContact CE1-CG2 4.4Å; Y109-K123 PolarHBondContact OH-O 3.41Å; Y109-V124 HydrophobicContact CD1-CG2 3.74Å; Y109-V124 HydrophobicContact CE1-CB 4.22Å; Y109-V124 HydrophobicContact CE1-CG2 3.66Å; Y109-A128 HydrophobicContact CD2-CB 4.31Å; Y109-A128 HydrophobicContact CE2-CB 3.53Å; Y109-I130 HydrophobicContact CD2-CG1 4.22Å; Y109-I130 HydrophobicContact CG-CG1 4.5Å |
| 110 | K | 82 | Confident | 84.9 | Confident | 169 Ų | 169 | 65.3 Ų | 65.3 | 74% | 0.735 | 35% | 0.347 | S | S | * | . | S | Bend | trans | 47.4 | 31.1 | -172.1 | -65.3 | 177.1 | 177.7 | 162.5 | 0 | 113.6 | ||
| 111 | G | 83.4 | Confident | 85 | Confident | 45 Ų | 45 | 70.4 Ų | 70.4 | 46% | 0.464 | 38% | 0.375 | S | S | . | . | S | Bend | trans | 132.5 | -172.1 | -170.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | M108 Y109 | M108-G111 CarbonylContact C-O 3.59Å; M108-G111 VanDerWaalsContact CA-O 3.24Å; M108-G111 WeakPolarHBondContact CA-O 3.44Å; Y109-G111 CarbonylContact C-O 3.56Å; Y109-G111 PolarHBondContact N-O 3.44Å; Y109-G111 PolarHBondContact O-N 3.11Å |
| 112 | L | 82.3 | Confident | 84.9 | Confident | 121 Ų | 121 | 70.5 Ų | 70.5 | 63% | 0.634 | 37% | 0.373 | S | S | * | . | B | Isolated β-bridge | trans | -74.9 | 129.8 | 171.3 | -165.2 | 79.2 | 0 | 0 | 0 | 109 | K106 S114 | K106-L112 HydrophobicContact CD-CD1 4.44Å; K106-L112 HydrophobicContact CG-CD1 3.73Å; L112-S114 PolarHBondContact O-N 3.35Å |
| 113 | L | 85.9 | Confident | 84.9 | Confident | 8 Ų | 8 | 76 Ų | 76 | 4% | 0.042 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -72.3 | 121.1 | 177.8 | -170.8 | 114.9 | 0 | 0 | 0 | 110.1 | L90 V107 L119 I122 | L90-L113 HydrophobicContact CD2-CD1 3.84Å; L90-L113 HydrophobicContact CD2-CD2 4.14Å; V107-L113 HydrophobicContact CB-CB 4Å; V107-L113 HydrophobicContact CB-CD2 4.25Å; V107-L113 HydrophobicContact CG1-CB 3.99Å; V107-L113 HydrophobicContact CG1-CD1 4.25Å; V107-L113 HydrophobicContact CG1-CD2 4.12Å; V107-L113 HydrophobicContact CG1-CG 4.36Å; V107-L113 WeakPolarHBondContact O-CB 3.49Å; V107-L113 PolarHBondContact O-N 3.37Å; L113-L119 HydrophobicContact CD1-CD2 4.49Å; L113-I122 HydrophobicContact CD1-CD1 3.97Å; L113-I122 HydrophobicContact CG-CD1 4.1Å |
| 114 | S | 84.1 | Confident | 85 | Confident | 53 Ų | 53 | 71.6 Ų | 71.6 | 37% | 0.371 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -79.8 | 137.9 | 171.6 | -55.6 | 0 | 0 | 0 | 0 | 110.5 | L112 | L112-S114 PolarHBondContact O-N 3.35Š|
| 115 | E | 84.4 | Confident | 85.2 | Confident | 83 Ų | 83 | 71.1 Ų | 71.1 | 39% | 0.388 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -29.6 | -178.2 | -68.1 | -178.6 | -175 | 0 | 0 | 112.9 | G87 A88 K91 K117 | G87-E115 PolarHBondContact N-O 3.16Å; A88-E115 HydrophobicContact CB-CB 4.29Å; A88-E115 PolarHBondContact N-O 3.49Å; K91-E115 HydrophobicContact CD-CG 4.16Å; K91-E115 VanDerWaalsContact CD-OE1 3.29Å; K91-E115 WeakPolarHBondContact CD-OE1 3.26Å; K91-E115 VanDerWaalsContact CE-OE1 3.26Å; K91-E115 WeakPolarHBondContact CE-OE1 3.29Å; K91-E115 IonicContact NZ-OE1 2.81Å; K91-E115 PolarHBondContact NZ-OE1 3.09Å; E115-K117 VanDerWaalsContact C-N 3.31Å; E115-K117 PolarHBondContact O-N 3.48Å |
| 116 | D | 83.2 | Confident | 85.3 | Confident | 154 Ų | 154 | 75.5 Ų | 75.5 | 82% | 0.824 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -10.7 | -176.8 | -46.5 | -70.1 | 0 | 0 | 0 | 114 | ||
| 117 | K | 85.1 | Confident | 85.1 | Confident | 111 Ų | 111 | 72.8 Ų | 72.8 | 48% | 0.483 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -100 | 147 | -178.1 | -66.9 | -175 | -179.4 | -178.7 | 0 | 111 | G87 E115 D121 I122 | G87-K117 PolarHBondContact N-O 3.21Å; E115-K117 VanDerWaalsContact C-N 3.31Å; E115-K117 PolarHBondContact O-N 3.48Å; K117-D121 HydrophobicContact CB-CB 4.35Å; K117-I122 HydrophobicContact CB-CD1 3.92Å; K117-I122 HydrophobicContact CB-CG1 3.87Å |
| 118 | T | 88.9 | Confident | 85.1 | Confident | 30 Ų | 30 | 73 Ų | 73 | 18% | 0.184 | 39% | 0.388 | C | S | . | . | B | Isolated β-bridge | trans | -77.6 | 159.4 | 174.4 | 67.4 | 0 | 0 | 0 | 0 | 111.3 | S85 R120 D121 I122 | S85-T118 WeakPolarHBondContact O-CA 3.33Å; T118-R120 PolarHBondContact O-N 3.07Å; T118-D121 PolarHBondContact N-OD2 3.46Å; T118-D121 PolarHBondContact O-N 2.83Å; T118-D121 VanDerWaalsContact O-N 3.16Å; T118-D121 PolarHBondContact OG1-N 3.21Å; T118-D121 VanDerWaalsContact OG1-N 3.12Å; T118-D121 PolarHBondContact OG1-OD2 3Å; T118-I122 WeakPolarHBondContact O-CD1 3.37Å; T118-I122 VanDerWaalsContact O-CG1 3.28Å; T118-I122 WeakPolarHBondContact O-CG1 3.36Å; T118-I122 PolarHBondContact O-N 2.8Å; T118-I122 VanDerWaalsContact O-N 3.11Å |
| 119 | L | 85.8 | Confident | 85.2 | Confident | 0 Ų | 0 | 75.8 Ų | 75.8 | 0% | 0 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -31 | 174.4 | -58.1 | 176.3 | 0 | 0 | 0 | 111.5 | V66 L68 I81 V83 S85 L90 L113 I122 K123 V124 | V66-L119 HydrophobicContact CG2-CD1 4.38Å; L68-L119 HydrophobicContact CD1-CD1 4.27Å; I81-L119 HydrophobicContact CD1-CD1 4.28Å; I81-L119 HydrophobicContact CG1-CD1 4.43Å; I81-L119 HydrophobicContact CG2-CD1 3.41Å; I81-L119 VanDerWaalsContact CG2-CD1 3.41Å; V83-L119 WeakPolarHBondContact O-CB 3.35Å; V83-L119 PolarHBondContact O-N 3.29Å; S85-L119 WeakPolarHBondContact O-CG 3.4Å; S85-L119 PolarHBondContact O-N 3.12Å; L90-L119 HydrophobicContact CB-CD2 4.34Å; L90-L119 HydrophobicContact CD2-CD2 3.72Å; L113-L119 HydrophobicContact CD1-CD2 4.49Å; L119-I122 PolarHBondContact O-N 2.71Å; L119-K123 PolarHBondContact O-N 3.35Å; L119-V124 HydrophobicContact CB-CB 4.04Å; L119-V124 HydrophobicContact CB-CG2 4.06Å; L119-V124 HydrophobicContact CD2-CG2 4.08Å; L119-V124 WeakPolarHBondContact O-CB 3.43Å; L119-V124 WeakPolarHBondContact O-CG2 3.45Å; L119-V124 PolarHBondContact O-N 3.27Å |
| 120 | R | 84.7 | Confident | 85.4 | Confident | 116 Ų | 116 | 74.7 Ų | 74.7 | 44% | 0.438 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -47.8 | 171.5 | -167.2 | -177.6 | -66.6 | -87.4 | 10.4 | 112 | E64 V83 D84 T118 I122 K123 | E64-R120 IonicContact OE2-CZ 2.86Å; E64-R120 VanDerWaalsContact OE2-CZ 3.29Å; E64-R120 IonicContact OE2-NH1 3.46Å; E64-R120 PolarHBondContact OE2-NH1 3.2Å; E64-R120 IonicContact OE2-NH2 3.64Å; E64-R120 PolarHBondContact OE2-NH2 3.36Å; V83-R120 PolarHBondContact O-N 2.85Å; D84-R120 IonicContact OD1-CZ 2.7Å; D84-R120 IonicContact OD1-NE 3.2Å; D84-R120 PolarHBondContact OD1-NE 2.64Å; D84-R120 IonicContact OD1-NH2 2.76Å; D84-R120 PolarHBondContact OD1-NH2 3.24Å; D84-R120 IonicContact OD2-NH2 2.69Å; T118-R120 PolarHBondContact O-N 3.07Å; R120-I122 VanDerWaalsContact C-N 3.29Å; R120-I122 PolarHBondContact O-N 3.39Å; R120-K123 WeakPolarHBondContact O-CA 3.33Å; R120-K123 PolarHBondContact O-N 3.43Å |
| 121 | D | 85.3 | Confident | 85.7 | Confident | 108 Ų | 108 | 71.1 Ų | 71.1 | 58% | 0.578 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -34 | 178.9 | -62.3 | -40.8 | 0 | 0 | 0 | 112.8 | K117 T118 K123 | K117-D121 HydrophobicContact CB-CB 4.35Å; T118-D121 PolarHBondContact N-OD2 3.46Å; T118-D121 PolarHBondContact O-N 2.83Å; T118-D121 VanDerWaalsContact O-N 3.16Å; T118-D121 PolarHBondContact OG1-N 3.21Å; T118-D121 VanDerWaalsContact OG1-N 3.12Å; T118-D121 PolarHBondContact OG1-OD2 3Å; D121-K123 PolarHBondContact O-N 3.06Å |
| 122 | I | 83.5 | Confident | 86 | Confident | 31 Ų | 31 | 69.3 Ų | 69.3 | 16% | 0.159 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -1.3 | 178 | -57.3 | 163.5 | 0 | 0 | 0 | 110.9 | Y109 L113 K117 T118 L119 R120 V124 | Y109-I122 HydrophobicContact CD1-CG2 3.87Å; Y109-I122 HydrophobicContact CE1-CG2 4.4Å; L113-I122 HydrophobicContact CD1-CD1 3.97Å; L113-I122 HydrophobicContact CG-CD1 4.1Å; K117-I122 HydrophobicContact CB-CD1 3.92Å; K117-I122 HydrophobicContact CB-CG1 3.87Å; T118-I122 WeakPolarHBondContact O-CD1 3.37Å; T118-I122 VanDerWaalsContact O-CG1 3.28Å; T118-I122 WeakPolarHBondContact O-CG1 3.36Å; T118-I122 PolarHBondContact O-N 2.8Å; T118-I122 VanDerWaalsContact O-N 3.11Å; L119-I122 PolarHBondContact O-N 2.71Å; R120-I122 VanDerWaalsContact C-N 3.29Å; R120-I122 PolarHBondContact O-N 3.39Å; I122-V124 VanDerWaalsContact C-N 3.28Å; I122-V124 HydrophobicContact CB-CG2 4.14Å; I122-V124 HydrophobicContact CG2-CG2 4.08Å; I122-V124 PolarHBondContact O-N 2.85Å |
| 123 | K | 85.3 | Confident | 86.1 | Confident | 157 Ų | 157 | 67.2 Ų | 67.2 | 68% | 0.683 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 43.8 | -178.9 | -57.5 | -178.6 | 178.3 | 179.4 | 0 | 112 | Y109 L119 R120 D121 | Y109-K123 PolarHBondContact OH-O 3.41Å; L119-K123 PolarHBondContact O-N 3.35Å; R120-K123 WeakPolarHBondContact O-CA 3.33Å; R120-K123 PolarHBondContact O-N 3.43Å; D121-K123 PolarHBondContact O-N 3.06Å |
| 124 | V | 84.7 | Confident | 85.8 | Confident | 11 Ų | 11 | 67.9 Ų | 67.9 | 7% | 0.067 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -73.8 | 124 | 171.9 | -178.7 | 0 | 0 | 0 | 0 | 108.1 | L68 Y109 L119 I122 A128 | L68-V124 HydrophobicContact CD1-CG1 4.5Å; L68-V124 HydrophobicContact CD2-CG1 3.25Å; Y109-V124 HydrophobicContact CD1-CG2 3.74Å; Y109-V124 HydrophobicContact CE1-CB 4.22Å; Y109-V124 HydrophobicContact CE1-CG2 3.66Å; L119-V124 HydrophobicContact CB-CB 4.04Å; L119-V124 HydrophobicContact CB-CG2 4.06Å; L119-V124 HydrophobicContact CD2-CG2 4.08Å; L119-V124 WeakPolarHBondContact O-CB 3.43Å; L119-V124 WeakPolarHBondContact O-CG2 3.45Å; L119-V124 PolarHBondContact O-N 3.27Å; I122-V124 VanDerWaalsContact C-N 3.28Å; I122-V124 HydrophobicContact CB-CG2 4.14Å; I122-V124 HydrophobicContact CG2-CG2 4.08Å; I122-V124 PolarHBondContact O-N 2.85Å; V124-A128 HydrophobicContact CG1-CB 3.78Å |
| 125 | T | 86.6 | Confident | 85.5 | Confident | 83 Ų | 83 | 68.4 Ų | 68.4 | 51% | 0.509 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -103.9 | 163.8 | -179.6 | 56.6 | 0 | 0 | 0 | 0 | 111 | G127 A128 | T125-G127 PolarHBondContact O-N 3.02Å; T125-A128 WeakPolarHBondContact O-CB 3.44Å; T125-A128 PolarHBondContact O-N 3.21Å; T125-A128 VanDerWaalsContact O-N 3.09Å |
| 126 | N | 86.8 | Confident | 85.2 | Confident | 98 Ų | 98 | 65.4 Ų | 65.4 | 52% | 0.524 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 138.6 | 171.3 | -158.3 | -2.7 | 0 | 0 | 0 | 110.7 | D67 A128 | D67-N126 WeakPolarHBondContact CA-OD1 3.29Å; D67-N126 WeakPolarHBondContact CB-OD1 3.47Å; D67-N126 PolarHBondContact N-OD1 2.76Å; D67-N126 PolarHBondContact O-OD1 3.2Å; D67-N126 VanDerWaalsContact O-OD1 3.11Å; D67-N126 PolarHBondContact OD2-ND2 2.93Å; D67-N126 VanDerWaalsContact OD2-ND2 3.09Å; D67-N126 PolarHBondContact OD2-OD1 3.47Å; D67-N126 VanDerWaalsContact OD2-OD1 3.13Å; N126-A128 VanDerWaalsContact C-N 3.3Å; N126-A128 PolarHBondContact O-N 3.17Å |
| 127 | G | 83.8 | Confident | 84.5 | Confident | 56 Ų | 56 | 62.4 Ų | 62.4 | 58% | 0.577 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.1 | 8.4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | D67 T125 K129 | D67-G127 WeakPolarHBondContact O-CA 3.27Å; D67-G127 PolarHBondContact O-N 2.86Å; T125-G127 PolarHBondContact O-N 3.02Å; G127-K129 PolarHBondContact O-N 2.89Å |
| 128 | A | 87.4 | Confident | 83.5 | Confident | 6 Ų | 6 | 63.1 Ų | 63.1 | 5% | 0.05 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 133.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L68 K69 Y109 V124 T125 N126 | L68-A128 HydrophobicContact CD2-CB 3.89Å; K69-A128 PolarHBondContact N-O 2.73Å; Y109-A128 HydrophobicContact CD2-CB 4.31Å; Y109-A128 HydrophobicContact CE2-CB 3.53Å; V124-A128 HydrophobicContact CG1-CB 3.78Å; T125-A128 WeakPolarHBondContact O-CB 3.44Å; T125-A128 PolarHBondContact O-N 3.21Å; T125-A128 VanDerWaalsContact O-N 3.09Å; N126-A128 VanDerWaalsContact C-N 3.3Å; N126-A128 PolarHBondContact O-N 3.17Å |
| 129 | K | 90.3 | Very high | 82.3 | Confident | 128 Ų | 128 | 65 Ų | 65 | 56% | 0.557 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 111.4 | 179.2 | -169.3 | -179.2 | -177.4 | -176.2 | 0 | 110.1 | K69 I71 G127 | K69-K129 CarbonylContact O-C 3.54Å; K69-K129 WeakPolarHBondContact O-CA 3.45Å; I71-K129 HydrophobicContact CD1-CD 3.71Å; I71-K129 HydrophobicContact CD1-CG 3.43Å; I71-K129 VanDerWaalsContact CD1-CG 3.43Å; I71-K129 HydrophobicContact CG1-CG 4.26Å; G127-K129 PolarHBondContact O-N 2.89Å |
| 130 | I | 90.2 | Very high | 81.1 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 122.1 | 179.8 | -58 | -168 | 0 | 0 | 0 | 108.7 | L68 K69 I70 I71 L90 V107 Y109 V132 | L68-I130 HydrophobicContact CB-CD1 4.42Å; L68-I130 HydrophobicContact CD1-CD1 3.8Å; L68-I130 HydrophobicContact CD2-CD1 4.42Å; L68-I130 HydrophobicContact CG-CD1 4.45Å; K69-I130 PolarHBondContact O-N 2.97Å; I70-I130 CarbonylContact C-O 3.58Å; I70-I130 WeakPolarHBondContact CA-O 3.45Å; I70-I130 HydrophobicContact CD1-CB 3.8Å; I70-I130 HydrophobicContact CD1-CD1 4.2Å; I70-I130 HydrophobicContact CD1-CG1 4.33Å; I70-I130 HydrophobicContact CD1-CG2 4.19Å; I71-I130 PolarHBondContact N-O 3.06Å; L90-I130 HydrophobicContact CD1-CD1 4.44Å; L90-I130 HydrophobicContact CD2-CD1 3.62Å; V107-I130 HydrophobicContact CG1-CG2 3.34Å; Y109-I130 HydrophobicContact CD2-CG1 4.22Å; Y109-I130 HydrophobicContact CG-CG1 4.5Å; I130-V132 HydrophobicContact CG2-CG2 4.43Å |
| 131 | M | 89.2 | Confident | 80 | Confident | 95 Ų | 95 | 67.1 Ų | 67.1 | 47% | 0.468 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 128.3 | 176.4 | -80.9 | -172.5 | -91.1 | 0 | 0 | 109.9 | I71 M108 | I71-M131 HydrophobicContact CB-CG 4.39Å; M108-M131 HydrophobicContact CB-CB 4.39Å; M108-M131 HydrophobicContact CE-CB 4.39Å; M108-M131 PolarHBondContact N-O 3.11Å; M108-M131 PolarHBondContact O-N 2.85Å |
| 132 | V | 89.4 | Confident | 78.8 | Confident | 6 Ų | 6 | 65.1 Ų | 65.1 | 4% | 0.036 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 126.7 | 176.9 | -176 | 0 | 0 | 0 | 0 | 107.7 | I70 I71 W72 I94 L100 Q105 V107 I130 | I70-V132 HydrophobicContact CG2-CG2 3.6Å; I71-V132 PolarHBondContact O-N 3.16Å; W72-V132 HydrophobicContact CB-CB 4.22Å; I94-V132 HydrophobicContact CD1-CG2 3.82Å; I94-V132 HydrophobicContact CG1-CG2 4.43Å; I94-V132 HydrophobicContact CG2-CG1 4.03Å; I94-V132 HydrophobicContact CG2-CG2 4Å; L100-V132 HydrophobicContact CD2-CG1 3.91Å; Q105-V132 HydrophobicContact CB-CG1 4.43Å; Q105-V132 HydrophobicContact CG-CG1 4.42Å; V107-V132 HydrophobicContact CG2-CG1 4.47Å; V107-V132 HydrophobicContact CG2-CG2 4.29Å; I130-V132 HydrophobicContact CG2-CG2 4.43Å |
| 133 | V | 83.4 | Confident | 77.6 | Confident | 78 Ų | 78 | 69.2 Ų | 69.2 | 47% | 0.473 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 126.7 | 174.9 | 179.7 | 0 | 0 | 0 | 0 | 107.6 | K106 M108 | K106-V133 WeakPolarHBondContact CA-O 3.49Å; K106-V133 HydrophobicContact CB-CB 4.15Å; K106-V133 WeakPolarHBondContact CB-O 3.03Å; K106-V133 PolarHBondContact N-O 2.86Å; K106-V133 PolarHBondContact O-N 2.87Å; M108-V133 HydrophobicContact CE-CG2 3.87Å |
| 134 | G | 80.4 | Confident | 75.9 | Confident | 21 Ų | 21 | 67.5 Ų | 67.5 | 22% | 0.216 | 40% | 0.397 | C | S | . | . | trans | 166 | 152.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | W72 M104 | W72-G134 PolarHBondContact NE1-O 2.77Å; M104-G134 WeakPolarHBondContact O-CA 3.34Å | ||
| 135 | S | 76.6 | Confident | 74 | Confident | 65 Ų | 65 | 71.2 Ų | 71.2 | 46% | 0.455 | 42% | 0.42 | S | S | . | . | trans | -106.5 | 136.8 | -178.4 | -59.8 | 0 | 0 | 0 | 0 | 108.6 | L100 | L100-S135 WeakPolarHBondContact CD1-O 3.47Š| ||
| 136 | T | 78.2 | Confident | 71.7 | Confident | 19 Ų | 19 | 72.7 Ų | 72.7 | 12% | 0.117 | 43% | 0.431 | C | S | . | . | trans | -66.6 | 160.7 | 172.1 | 64.6 | 0 | 0 | 0 | 0 | 109.9 | W72 N138 D139 V140 | W72-T136 HydrophobicContact CH2-CG2 3.55Å; W72-T136 HydrophobicContact CZ2-CG2 3.62Å; T136-N138 PolarHBondContact O-N 2.97Å; T136-D139 PolarHBondContact N-OD2 3.46Å; T136-D139 WeakPolarHBondContact O-CA 3.21Å; T136-D139 WeakPolarHBondContact O-CB 3.38Å; T136-D139 PolarHBondContact O-N 2.84Å; T136-D139 PolarHBondContact OG1-N 2.74Å; T136-D139 PolarHBondContact OG1-OD2 3.02Å; T136-V140 WeakPolarHBondContact O-CG2 3.24Å; T136-V140 PolarHBondContact O-N 2.98Å | ||
| 137 | I | 68.6 | Low | 69.6 | Low | 92 Ų | 92 | 77.3 Ų | 77.3 | 47% | 0.472 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -55.9 | -36 | 174.3 | -65.9 | 165.7 | 0 | 0 | 0 | 110.4 | P101 M104 V140 L141 | P101-I137 HydrophobicContact CG-CD1 4.26Å; M104-I137 HydrophobicContact CE-CG1 4.44Å; M104-I137 HydrophobicContact SD-CG1 4.33Å; I137-V140 PolarHBondContact O-N 2.89Å; I137-L141 HydrophobicContact CG2-CD1 3.8Å; I137-L141 HydrophobicContact CG2-CG 4.21Å; I137-L141 WeakPolarHBondContact O-CB 3.19Å; I137-L141 WeakPolarHBondContact O-CG 3.18Å; I137-L141 PolarHBondContact O-N 3.38Å |
| 138 | N | 65.6 | Low | 67.4 | Low | 125 Ų | 125 | 82.4 Ų | 82.4 | 67% | 0.668 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -64.1 | -40 | 174.6 | -71.2 | -18.9 | 0 | 0 | 0 | 112.5 | T136 A142 | T136-N138 PolarHBondContact O-N 2.97Å; N138-A142 WeakPolarHBondContact O-CB 3.44Å; N138-A142 PolarHBondContact O-N 3.32Å |
| 139 | D | 62.6 | Low | 65.5 | Low | 71 Ų | 71 | 86.4 Ų | 86.4 | 38% | 0.38 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -68.1 | -39.6 | 174.6 | -61.2 | -45.6 | 0 | 0 | 0 | 111.8 | T136 A142 V143 | T136-D139 PolarHBondContact N-OD2 3.46Å; T136-D139 WeakPolarHBondContact O-CA 3.21Å; T136-D139 WeakPolarHBondContact O-CB 3.38Å; T136-D139 PolarHBondContact O-N 2.84Å; T136-D139 PolarHBondContact OG1-N 2.74Å; T136-D139 PolarHBondContact OG1-OD2 3.02Å; D139-A142 PolarHBondContact O-N 3.37Å; D139-V143 WeakPolarHBondContact O-CB 3.34Å; D139-V143 WeakPolarHBondContact O-CG2 3.36Å; D139-V143 PolarHBondContact O-N 2.66Å |
| 140 | V | 61.2 | Low | 63.1 | Low | 54 Ų | 54 | 85.8 Ų | 85.8 | 33% | 0.327 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.2 | -40 | 177.4 | 177.1 | 0 | 0 | 0 | 0 | 110.9 | T136 I137 V143 N144 | T136-V140 WeakPolarHBondContact O-CG2 3.24Å; T136-V140 PolarHBondContact O-N 2.98Å; I137-V140 PolarHBondContact O-N 2.89Å; V140-V143 PolarHBondContact O-N 3.23Å; V140-N144 VanDerWaalsContact O-CB 3.31Å; V140-N144 WeakPolarHBondContact O-CB 3.31Å; V140-N144 PolarHBondContact O-N 3.36Å |
| 141 | L | 61.3 | Low | 61 | Low | 106 Ų | 106 | 94 Ų | 94 | 56% | 0.555 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -66 | -39.2 | 174.9 | -71.5 | 170.3 | 0 | 0 | 0 | 111.7 | I137 V143 N144 T145 | I137-L141 HydrophobicContact CG2-CD1 3.8Å; I137-L141 HydrophobicContact CG2-CG 4.21Å; I137-L141 WeakPolarHBondContact O-CB 3.19Å; I137-L141 WeakPolarHBondContact O-CG 3.18Å; I137-L141 PolarHBondContact O-N 3.38Å; L141-V143 PolarHBondContact O-N 3.18Å; L141-N144 PolarHBondContact O-N 2.85Å; L141-T145 PolarHBondContact O-N 3.05Å; L141-T145 PolarHBondContact O-OG1 3.24Å |
| 142 | A | 60.4 | Low | 58.6 | Low | 65 Ų | 65 | 97 Ų | 97 | 54% | 0.537 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.2 | -25 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | N138 D139 | N138-A142 WeakPolarHBondContact O-CB 3.44Å; N138-A142 PolarHBondContact O-N 3.32Å; D139-A142 PolarHBondContact O-N 3.37Å |
| 143 | V | 58.3 | Low | 56.3 | Low | 117 Ų | 117 | 105 Ų | 105 | 71% | 0.709 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -92.9 | -27.1 | 179.3 | 173.5 | 0 | 0 | 0 | 0 | 112.5 | D139 V140 L141 | D139-V143 WeakPolarHBondContact O-CB 3.34Å; D139-V143 WeakPolarHBondContact O-CG2 3.36Å; D139-V143 PolarHBondContact O-N 2.66Å; V140-V143 PolarHBondContact O-N 3.23Å; L141-V143 PolarHBondContact O-N 3.18Å |
| 144 | N | 48.2 | Very low | 54.5 | Low | 121 Ų | 121 | 107.5 Ų | 107.5 | 65% | 0.647 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -94.7 | -9.5 | -178.5 | -84 | -0.1 | 0 | 0 | 0 | 115.2 | V140 L141 P146 | V140-N144 VanDerWaalsContact O-CB 3.31Å; V140-N144 WeakPolarHBondContact O-CB 3.31Å; V140-N144 PolarHBondContact O-N 3.36Å; L141-N144 PolarHBondContact O-N 2.85Å; N144-P146 WeakPolarHBondContact O-CD 3.4Å |
| 145 | T | 44.8 | Very low | 52.5 | Low | 90 Ų | 90 | 114.9 Ų | 114.9 | 55% | 0.552 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -69.3 | 109.9 | 153.2 | 39.3 | 0 | 0 | 0 | 0 | 106.8 | L141 K147 | L141-T145 PolarHBondContact O-N 3.05Å; L141-T145 PolarHBondContact O-OG1 3.24Å; T145-K147 PolarHBondContact O-N 2.86Å |
| 146 | P | 39.8 | Very low | 51 | Low | 114 Ų | 114 | 116.2 Ų | 116.2 | 74% | 0.74 | 63% | 0.63 | S | S | * | * | trans | -54.4 | 116.6 | 168.3 | 22.4 | -29.9 | 0 | 0 | 0 | 106.1 | N144 E148 | N144-P146 WeakPolarHBondContact O-CD 3.4Å; P146-E148 PolarHBondContact O-N 3.47Å | ||
| 147 | K | 41.6 | Very low | 49 | Very low | 195 Ų | 195 | 124.3 Ų | 124.3 | 85% | 0.848 | 67% | 0.667 | S | S | * | * | trans | -65 | 86.8 | 158.6 | -85.7 | -177.2 | 177.1 | 179 | 0 | 104.9 | T145 V149 | T145-K147 PolarHBondContact O-N 2.86Å; K147-V149 PolarHBondContact O-N 3.31Å | ||
| 148 | E | 37.5 | Very low | 48 | Very low | 163 Ų | 163 | 128.5 Ų | 128.5 | 76% | 0.762 | 68% | 0.684 | S | S | * | * | trans | -49.6 | 133.9 | 163.7 | -164.5 | 173.7 | 154 | 0 | 0 | 107 | P146 V150 | P146-E148 PolarHBondContact O-N 3.47Å; E148-V150 VanDerWaalsContact C-N 3.29Å; E148-V150 PolarHBondContact O-N 2.81Å | ||
| 149 | V | 47.4 | Very low | 46.6 | Very low | 90 Ų | 90 | 129.7 Ų | 129.7 | 55% | 0.545 | 69% | 0.691 | S | S | . | * | trans | -49.1 | 91.1 | 173.3 | 180 | 0 | 0 | 0 | 0 | 109.3 | K147 Y288 | K147-V149 PolarHBondContact O-N 3.31Å; V149-Y288 HydrophobicContact CB-CE1 4.13Å; V149-Y288 HydrophobicContact CG1-CD1 3.96Å; V149-Y288 HydrophobicContact CG1-CE1 3.08Å; V149-Y288 HydrophobicContact CG1-CE2 4.42Å; V149-Y288 VanDerWaalsContact CG1-OH 3.32Å; V149-Y288 WeakPolarHBondContact CG1-OH 3.39Å; V149-Y288 HydrophobicContact CG2-CE1 3.91Å | ||
| 150 | V | 40.3 | Very low | 45.4 | Very low | 114 Ų | 114 | 135.7 Ų | 135.7 | 69% | 0.691 | 71% | 0.714 | S | S | * | * | trans | -124.8 | 110.7 | 165.5 | -178.6 | 0 | 0 | 0 | 0 | 106.5 | E148 Q152 | E148-V150 VanDerWaalsContact C-N 3.29Å; E148-V150 PolarHBondContact O-N 2.81Å; V150-Q152 PolarHBondContact O-N 3.44Å | ||
| 151 | Q | 45.9 | Very low | 44.6 | Very low | 173 Ų | 173 | 140.6 Ų | 140.6 | 81% | 0.808 | 73% | 0.73 | S | S | * | * | trans | -26.3 | 106.6 | 161.3 | -68 | 163.1 | -8 | 0 | 0 | 110.7 | E153 | Q151-E153 PolarHBondContact O-N 3.06Š| ||
| 152 | Q | 39 | Very low | 44.2 | Very low | 158 Ų | 158 | 141.8 Ų | 141.8 | 74% | 0.738 | 73% | 0.733 | S | S | * | * | trans | -101.3 | 74.7 | 173 | -157.1 | 172.6 | -13.7 | 0 | 0 | 108.8 | V150 | V150-Q152 PolarHBondContact O-N 3.44Š| ||
| 153 | E | 42.2 | Very low | 44.3 | Very low | 175 Ų | 175 | 141.1 Ų | 141.1 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | trans | -60.7 | 124.3 | 142.4 | -85.2 | -174.6 | 142 | 0 | 0 | 108.5 | Q151 | Q151-E153 PolarHBondContact O-N 3.06Š| ||
| 154 | V | 45.1 | Very low | 44.9 | Very low | 130 Ų | 130 | 137.1 Ų | 137.1 | 79% | 0.788 | 70% | 0.698 | S | S | * | * | trans | 59 | 89.2 | 151.4 | -156.5 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 155 | K | 37.1 | Very low | 45.6 | Very low | 176 Ų | 176 | 131.6 Ų | 131.6 | 77% | 0.765 | 67% | 0.669 | S | S | * | * | trans | -172.1 | 94.2 | 139.4 | -111.5 | -179.4 | 174.7 | -174.7 | 0 | 106.6 | ||||
| 156 | A | 45.3 | Very low | 46.8 | Very low | 93 Ų | 93 | 133.1 Ų | 133.1 | 77% | 0.769 | 66% | 0.664 | S | S | * | * | 51.5 | 61.7 | 69.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 157 | E | 37.6 | Very low | 48.7 | Very low | 188 Ų | 188 | 130.2 Ų | 130.2 | 88% | 0.879 | 64% | 0.641 | S | S | * | * | trans | -131.8 | 88.1 | 145.2 | -79.8 | -176 | 160.6 | 0 | 0 | 105.8 | N159 | E157-N159 PolarHBondContact O-N 3.47Š| ||
| 158 | E | 45.9 | Very low | 50.3 | Low | 180 Ų | 180 | 130.3 Ų | 130.3 | 84% | 0.841 | 64% | 0.641 | S | S | * | * | 42.3 | 69.3 | 104.4 | -81.9 | -165.7 | 146.4 | 0 | 0 | 113.4 | K160 | E158-K160 PolarHBondContact O-N 2.76Š| |||
| 159 | N | 36.4 | Very low | 52.3 | Low | 151 Ų | 151 | 128 Ų | 128 | 81% | 0.807 | 63% | 0.63 | S | S | * | * | trans | -73.2 | 111.6 | 141.3 | -129.6 | -23.2 | 0 | 0 | 0 | 105.7 | E157 K161 | E157-N159 PolarHBondContact O-N 3.47Å; N159-K161 PolarHBondContact O-N 3.13Å | ||
| 160 | K | 37.9 | Very low | 54.1 | Low | 197 Ų | 197 | 123.8 Ų | 123.8 | 86% | 0.857 | 61% | 0.605 | S | S | * | * | trans | -57.7 | 72.5 | 174.9 | -67.9 | 178.1 | 178.3 | 177.3 | 0 | 111.6 | E158 | E158-K160 PolarHBondContact O-N 2.76Š| ||
| 161 | K | 44.5 | Very low | 56.1 | Low | 157 Ų | 157 | 122.2 Ų | 122.2 | 68% | 0.683 | 59% | 0.586 | S | S | * | * | trans | -112.4 | 129.2 | 154.8 | -78.6 | -176.2 | 176.4 | -179.9 | 0 | 104.7 | N159 | N159-K161 PolarHBondContact O-N 3.13Š| ||
| 162 | E | 53.5 | Low | 57.9 | Low | 131 Ų | 131 | 121.6 Ų | 121.6 | 61% | 0.612 | 58% | 0.581 | S | S | * | * | trans | -46.4 | 137.6 | 171.9 | -61.9 | 176 | 150 | 0 | 0 | 109.1 | L164 R166 | E162-L164 PolarHBondContact O-N 3Å; E162-R166 HydrophobicContact CB-CB 4.16Å | ||
| 163 | P | 62.5 | Low | 60 | Low | 51 Ų | 51 | 114.2 Ų | 114.2 | 33% | 0.331 | 55% | 0.547 | S | S | . | . | trans | -49.8 | 141.1 | 179.5 | 19.9 | -32.1 | 0 | 0 | 0 | 109 | C165 R166 | P163-C165 PolarHBondContact O-N 3.4Å; P163-R166 HydrophobicContact CG-CB 4.34Å; P163-R166 HydrophobicContact CG-CG 3.74Å; P163-R166 WeakPolarHBondContact O-CA 3.41Å; P163-R166 WeakPolarHBondContact O-CB 3.3Å; P163-R166 PolarHBondContact O-N 3.01Å | ||
| 164 | L | 70.1 | Confident | 62 | Low | 33 Ų | 33 | 106.9 Ų | 106.9 | 17% | 0.173 | 51% | 0.513 | C | S | . | . | G | 310 helix | trans | -56.9 | -31.9 | -167.9 | -83.1 | 84.9 | 0 | 0 | 0 | 111.2 | E162 R166 Q167 H170 E242 M252 W266 | E162-L164 PolarHBondContact O-N 3Å; L164-R166 PolarHBondContact O-N 3.35Å; L164-R166 VanDerWaalsContact O-N 3.13Å; L164-Q167 WeakPolarHBondContact O-CB 3.49Å; L164-Q167 PolarHBondContact O-N 3.04Å; L164-H170 VanDerWaalsContact O-CB 3.28Å; L164-H170 WeakPolarHBondContact O-CB 3.09Å; L164-H170 PolarHBondContact O-CD2 2.96Å; L164-E242 VanDerWaalsContact CB-OE2 3.3Å; L164-E242 WeakPolarHBondContact CB-OE2 3.01Å; L164-E242 HydrophobicContact CD1-CG 4.32Å; L164-E242 WeakPolarHBondContact CD1-OE1 3.45Å; L164-E242 WeakPolarHBondContact CD1-OE2 3.19Å; L164-E242 PolarHBondContact N-OE2 3.13Å; L164-M252 HydrophobicContact CB-SD 3.86Å; L164-W266 HydrophobicContact CD2-CH2 3.12Å; L164-W266 HydrophobicContact CD2-CZ2 3.49Å; L164-W266 VanDerWaalsContact CD2-CZ2 3.49Å; L164-W266 HydrophobicContact CD2-CZ3 4.02Å |
| 165 | C | 63 | Low | 63.8 | Low | 5 Ų | 5 | 106.4 Ų | 106.4 | 3% | 0.034 | 51% | 0.506 | C | S | . | . | G | 310 helix | trans | -56 | -25.2 | 172.1 | 64.9 | 0 | 0 | 0 | 0 | 115.9 | P163 R171 L174 M252 | P163-C165 PolarHBondContact O-N 3.4Å; C165-R171 PolarHBondContact O-NH1 3.05Å; C165-L174 HydrophobicContact CB-CD1 3.97Å; C165-M252 HydrophobicContact CB-CE 3.56Å |
| 166 | R | 69.8 | Low | 66.1 | Low | 122 Ų | 122 | 103.6 Ų | 103.6 | 46% | 0.46 | 49% | 0.494 | S | S | . | . | G | 310 helix | trans | -86.2 | -18.1 | 176.9 | -65.9 | -172.4 | -179.7 | 167.9 | -0.8 | 113.7 | E162 P163 L164 E245 | E162-R166 HydrophobicContact CB-CB 4.16Å; P163-R166 HydrophobicContact CG-CB 4.34Å; P163-R166 HydrophobicContact CG-CG 3.74Å; P163-R166 WeakPolarHBondContact O-CA 3.41Å; P163-R166 WeakPolarHBondContact O-CB 3.3Å; P163-R166 PolarHBondContact O-N 3.01Å; L164-R166 PolarHBondContact O-N 3.35Å; L164-R166 VanDerWaalsContact O-N 3.13Å; R166-E245 IonicContact CZ-OE1 3.44Å; R166-E245 IonicContact NE-OE1 3.92Å; R166-E245 PolarHBondContact NE-OE1 2.82Å; R166-E245 IonicContact NE-OE2 3.29Å; R166-E245 IonicContact NH2-OE1 3.6Å; R166-E245 PolarHBondContact NH2-OE1 3.09Å |
| 167 | Q | 79.6 | Confident | 67.9 | Low | 52 Ų | 52 | 100.5 Ų | 100.5 | 24% | 0.243 | 47% | 0.471 | C | S | . | . | S | Bend | trans | -67.1 | 138 | 177.7 | -56.1 | 177.2 | 14.3 | 0 | 0 | 110.3 | L164 Q169 H170 R171 | L164-Q167 WeakPolarHBondContact O-CB 3.49Å; L164-Q167 PolarHBondContact O-N 3.04Å; Q167-Q169 HydrophobicContact CB-CG 4.37Å; Q167-Q169 PolarHBondContact O-N 2.76Å; Q167-Q169 VanDerWaalsContact OE1-NE2 3.14Å; Q167-H170 PolarHBondContact O-N 2.92Å; Q167-R171 PolarHBondContact O-N 2.81Å |
| 168 | K | 76.8 | Confident | 70.2 | Confident | 197 Ų | 197 | 96.1 Ų | 96.1 | 86% | 0.857 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -50.1 | -36.4 | -173.8 | -70.2 | -175 | 177.9 | -179.9 | 0 | 114.3 | K172 | K168-K172 PolarHBondContact O-N 3.04Å |
| 169 | Q | 79.4 | Confident | 72 | Confident | 115 Ų | 115 | 88 Ų | 88 | 54% | 0.537 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -67.8 | -37.6 | -179.5 | 61.7 | -177.9 | -21.4 | 0 | 0 | 113.5 | Q167 | Q167-Q169 HydrophobicContact CB-CG 4.37Å; Q167-Q169 PolarHBondContact O-N 2.76Å; Q167-Q169 VanDerWaalsContact OE1-NE2 3.14Å |
| 170 | H | 83.8 | Confident | 74.1 | Confident | 1 Ų | 1 | 90.1 Ų | 90.1 | 1% | 0.005 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -83.5 | -41.1 | -177.7 | -61 | -52.8 | 0 | 0 | 0 | 110.3 | L164 Q167 K172 V173 L174 M252 W266 Y268 | L164-H170 VanDerWaalsContact O-CB 3.28Å; L164-H170 WeakPolarHBondContact O-CB 3.09Å; L164-H170 PolarHBondContact O-CD2 2.96Å; Q167-H170 PolarHBondContact O-N 2.92Å; H170-K172 VanDerWaalsContact C-N 3.32Å; H170-K172 PolarHBondContact O-N 3.02Å; H170-V173 PolarHBondContact O-N 3.1Å; H170-V173 VanDerWaalsContact O-N 3.1Å; H170-L174 WeakPolarHBondContact O-CG 3.09Å; H170-L174 PolarHBondContact O-N 3.33Å; H170-L174 VanDerWaalsContact O-N 3.11Å; H170-M252 HydrophobicContact CB-CE 4.28Å; H170-M252 HydrophobicContact CB-SD 4.46Å; H170-W266 AromaticContact CE1-CD2 3.44Å; H170-W266 VanDerWaalsContact CE1-CD2 3.44Å; H170-W266 AromaticContact CE1-CE2 3.42Å; H170-W266 VanDerWaalsContact CE1-CE2 3.42Å; H170-W266 AromaticContact CE1-CE3 3.85Å; H170-W266 AromaticContact CE1-CG 3.9Å; H170-W266 AromaticContact CE1-CZ2 3.88Å; H170-W266 AromaticContact CE1-NE1 3.75Å; H170-W266 AromaticContact NE2-CE2 4Å; H170-Y268 HydrophobicContact CB-CE1 3.96Å; H170-Y268 AromaticContact ND1-CE1 3.52Å; H170-Y268 AromaticContact ND1-CZ 3.51Å; H170-Y268 PolarHBondContact ND1-OH 3.11Å |
| 171 | R | 82.5 | Confident | 76.2 | Confident | 82 Ų | 82 | 85.4 Ų | 85.4 | 31% | 0.309 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -54.9 | -45.2 | 176.8 | -167.1 | 77.9 | 81.1 | -174 | 13.5 | 112.1 | C165 Q167 V173 L174 D175 E245 | C165-R171 PolarHBondContact O-NH1 3.05Å; Q167-R171 PolarHBondContact O-N 2.81Å; R171-V173 PolarHBondContact O-N 2.74Å; R171-V173 VanDerWaalsContact O-N 3.08Å; R171-L174 CarbonylContact O-C 3.54Å; R171-L174 PolarHBondContact O-N 3.1Å; R171-D175 WeakPolarHBondContact O-CB 3.46Å; R171-D175 PolarHBondContact O-N 2.86Å; R171-E245 IonicContact CZ-OE2 3.81Å; R171-E245 IonicContact NH1-OE2 2.7Å; R171-E245 PolarHBondContact NH1-OE2 2.9Å; R171-E245 IonicContact NH2-OE2 3.06Å |
| 172 | K | 83.6 | Confident | 78 | Confident | 159 Ų | 159 | 78.6 Ų | 78.6 | 69% | 0.691 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -55.5 | -32 | 179 | -175.2 | 175.6 | -178.8 | 177.8 | 0 | 114 | K168 H170 | K168-K172 PolarHBondContact O-N 3.04Å; H170-K172 VanDerWaalsContact C-N 3.32Å; H170-K172 PolarHBondContact O-N 3.02Å |
| 173 | V | 83.6 | Confident | 79.3 | Confident | 4 Ų | 4 | 75 Ų | 75 | 2% | 0.024 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -84.6 | -37.1 | 177.9 | -177.1 | 0 | 0 | 0 | 0 | 110.9 | H170 R171 K176 F202 K204 Y268 | H170-V173 PolarHBondContact O-N 3.1Å; H170-V173 VanDerWaalsContact O-N 3.1Å; R171-V173 PolarHBondContact O-N 2.74Å; R171-V173 VanDerWaalsContact O-N 3.08Å; V173-K176 WeakPolarHBondContact O-CB 3.14Å; V173-K176 PolarHBondContact O-N 3.38Å; V173-F202 HydrophobicContact CG1-CB 3.85Å; V173-F202 HydrophobicContact CG1-CD2 4.16Å; V173-F202 HydrophobicContact CG1-CG 4.41Å; V173-K204 VanDerWaalsContact CG2-O 3.3Å; V173-K204 WeakPolarHBondContact CG2-O 3.28Å; V173-Y268 HydrophobicContact CB-CD2 4.31Å; V173-Y268 HydrophobicContact CB-CE1 4.45Å; V173-Y268 HydrophobicContact CB-CE2 4.2Å; V173-Y268 HydrophobicContact CB-CG 4.49Å; V173-Y268 HydrophobicContact CG1-CD2 3.72Å; V173-Y268 HydrophobicContact CG1-CE2 4.04Å; V173-Y268 HydrophobicContact CG1-CG 3.98Å; V173-Y268 HydrophobicContact CG2-CE2 4.16Å |
| 174 | L | 84.2 | Confident | 80.3 | Confident | 20 Ų | 20 | 77.2 Ų | 77.2 | 11% | 0.105 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -68.5 | -33.7 | 176.5 | -65.3 | 178.8 | 0 | 0 | 0 | 112.8 | C165 H170 R171 K176 G177 I244 M252 Y268 W269 | C165-L174 HydrophobicContact CB-CD1 3.97Å; H170-L174 WeakPolarHBondContact O-CG 3.09Å; H170-L174 PolarHBondContact O-N 3.33Å; H170-L174 VanDerWaalsContact O-N 3.11Å; R171-L174 CarbonylContact O-C 3.54Å; R171-L174 PolarHBondContact O-N 3.1Å; L174-K176 PolarHBondContact O-N 3.15Å; L174-G177 WeakPolarHBondContact O-CA 3.48Å; L174-G177 PolarHBondContact O-N 2.71Å; L174-I244 HydrophobicContact CD1-CG2 4.08Å; L174-I244 HydrophobicContact CD2-CD1 3.76Å; L174-I244 HydrophobicContact CD2-CG1 4.11Å; L174-I244 HydrophobicContact CD2-CG2 3.86Å; L174-M252 HydrophobicContact CD1-CE 3.62Å; L174-M252 HydrophobicContact CD2-CE 4.46Å; L174-M252 HydrophobicContact CG-CE 4.36Å; L174-Y268 HydrophobicContact CD2-CD1 4.15Å; L174-Y268 HydrophobicContact CG-CD1 4.49Å; L174-W269 HydrophobicContact CD2-CZ2 4.1Å |
| 175 | D | 84.1 | Confident | 80.9 | Confident | 120 Ų | 120 | 76.7 Ų | 76.7 | 64% | 0.642 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -20.2 | 176.9 | -67.4 | -19.8 | 0 | 0 | 0 | 112.5 | R171 G177 | R171-D175 WeakPolarHBondContact O-CB 3.46Å; R171-D175 PolarHBondContact O-N 2.86Å; D175-G177 PolarHBondContact O-N 3.44Å |
| 176 | K | 83.4 | Confident | 81.7 | Confident | 118 Ų | 118 | 80.3 Ų | 80.3 | 51% | 0.513 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -13.1 | 170.8 | -65.3 | -178.4 | 168.1 | -174.8 | 0 | 112.6 | V173 L174 F202 S205 G206 | V173-K176 WeakPolarHBondContact O-CB 3.14Å; V173-K176 PolarHBondContact O-N 3.38Å; L174-K176 PolarHBondContact O-N 3.15Å; K176-F202 HydrophobicContact CB-CE2 4.34Å; K176-S205 PolarHBondContact NZ-O 3.12Å; K176-S205 VanDerWaalsContact NZ-O 3.07Å; K176-G206 PolarHBondContact NZ-O 3.23Å |
| 177 | G | 83.5 | Confident | 81.9 | Confident | 28 Ų | 28 | 82.2 Ų | 82.2 | 29% | 0.289 | 40% | 0.4 | S | S | . | . | trans | 83.3 | 177.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | L174 D175 W269 | L174-G177 WeakPolarHBondContact O-CA 3.48Å; L174-G177 PolarHBondContact O-N 2.71Å; D175-G177 PolarHBondContact O-N 3.44Å; G177-W269 VanDerWaalsContact C-CZ2 3.47Å; G177-W269 PolarHBondContact O-NE1 3.45Å | ||
| 178 | K | 86 | Confident | 81.5 | Confident | 95 Ų | 95 | 83.6 Ų | 83.6 | 41% | 0.413 | 43% | 0.429 | S | S | . | . | trans | -66 | 129.1 | 177.1 | -177.9 | 178.9 | 177.2 | 174.8 | 0 | 109.7 | E180 I182 Y250 W269 | K178-E180 PolarHBondContact O-N 2.79Å; K178-I182 HydrophobicContact CD-CG2 4.28Å; K178-I182 HydrophobicContact CG-CG2 3.92Å; K178-Y250 HydrophobicContact CD-CE2 4.17Å; K178-Y250 VanDerWaalsContact CE-CE2 3.49Å; K178-Y250 VanDerWaalsContact CE-CZ 3.48Å; K178-Y250 WeakPolarHBondContact CE-OH 3.14Å; K178-Y250 VanDerWaalsContact NZ-CE2 3.33Å; K178-Y250 PolarHBondContact NZ-OH 3.08Å; K178-W269 HydrophobicContact CB-CE3 4.24Å; K178-W269 HydrophobicContact CB-CH2 3.93Å; K178-W269 HydrophobicContact CB-CZ2 4.28Å; K178-W269 HydrophobicContact CB-CZ3 3.91Å; K178-W269 HydrophobicContact CG-CE3 4.14Å; K178-W269 HydrophobicContact CG-CZ3 4.17Å | ||
| 179 | P | 84.6 | Confident | 81.6 | Confident | 9 Ų | 9 | 75.8 Ų | 75.8 | 6% | 0.058 | 40% | 0.401 | C | S | . | . | trans | -62 | 135.3 | 173.9 | -11.6 | 20.4 | 0 | 0 | 0 | 110.8 | D181 I182 G200 F202 W269 | P179-D181 VanDerWaalsContact C-N 3.3Å; P179-D181 PolarHBondContact O-N 3.44Å; P179-I182 HydrophobicContact CB-CB 4.18Å; P179-I182 HydrophobicContact CG-CB 4.31Å; P179-I182 WeakPolarHBondContact O-CB 3.47Å; P179-I182 WeakPolarHBondContact O-CG2 3.36Å; P179-I182 PolarHBondContact O-N 2.81Å; P179-G200 WeakPolarHBondContact CB-O 3.27Å; P179-G200 WeakPolarHBondContact CG-O 3.31Å; P179-F202 HydrophobicContact CB-CE1 4.17Å; P179-F202 HydrophobicContact CB-CE2 4.28Å; P179-F202 HydrophobicContact CB-CZ 3.88Å; P179-F202 HydrophobicContact CG-CD1 4.33Å; P179-F202 HydrophobicContact CG-CD2 3.92Å; P179-F202 HydrophobicContact CG-CE1 4.09Å; P179-F202 HydrophobicContact CG-CE2 3.66Å; P179-F202 HydrophobicContact CG-CG 4.24Å; P179-F202 HydrophobicContact CG-CZ 3.74Å; P179-W269 VanDerWaalsContact CD-CD1 3.42Å; P179-W269 VanDerWaalsContact CD-CG 3.42Å; P179-W269 HydrophobicContact CG-CB 4.13Å; P179-W269 HydrophobicContact CG-CG 3.96Å | ||
| 180 | E | 80 | Confident | 81.6 | Confident | 196 Ų | 196 | 78.2 Ų | 78.2 | 92% | 0.916 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -31.2 | 179.9 | -63.3 | -180 | 169.7 | 0 | 0 | 112.7 | K178 I182 | K178-E180 PolarHBondContact O-N 2.79Å; E180-I182 VanDerWaalsContact C-N 3.29Å; E180-I182 PolarHBondContact O-N 3.4Å |
| 181 | D | 81.1 | Confident | 81.7 | Confident | 98 Ų | 98 | 82.2 Ų | 82.2 | 52% | 0.524 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 8.6 | 179.5 | -56.3 | -44.8 | 0 | 0 | 0 | 113.4 | P179 K208 | P179-D181 VanDerWaalsContact C-N 3.3Å; P179-D181 PolarHBondContact O-N 3.44Å; D181-K208 IonicContact OD2-NZ 2.63Å; D181-K208 PolarHBondContact OD2-NZ 3.02Å |
| 182 | I | 83.3 | Confident | 81.8 | Confident | 14 Ų | 14 | 89 Ų | 89 | 7% | 0.072 | 45% | 0.454 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 139.9 | -177 | -165 | 66.5 | 0 | 0 | 0 | 110.6 | K178 P179 E180 G200 M201 Y250 W269 | K178-I182 HydrophobicContact CD-CG2 4.28Å; K178-I182 HydrophobicContact CG-CG2 3.92Å; P179-I182 HydrophobicContact CB-CB 4.18Å; P179-I182 HydrophobicContact CG-CB 4.31Å; P179-I182 WeakPolarHBondContact O-CB 3.47Å; P179-I182 WeakPolarHBondContact O-CG2 3.36Å; P179-I182 PolarHBondContact O-N 2.81Å; E180-I182 VanDerWaalsContact C-N 3.29Å; E180-I182 PolarHBondContact O-N 3.4Å; I182-G200 VanDerWaalsContact CD1-C 3.42Å; I182-G200 WeakPolarHBondContact CD1-O 3.19Å; I182-M201 HydrophobicContact CD1-CB 4.25Å; I182-M201 HydrophobicContact CD1-CG 3.51Å; I182-Y250 HydrophobicContact CG1-CD1 4.49Å; I182-Y250 HydrophobicContact CG1-CE1 3.77Å; I182-Y250 HydrophobicContact CG2-CE1 4.22Å; I182-W269 HydrophobicContact CD1-CB 4.15Å; I182-W269 WeakPolarHBondContact CD1-O 3.33Å; I182-W269 HydrophobicContact CG1-CB 4.28Å; I182-W269 WeakPolarHBondContact CG1-O 3.49Å |
| 183 | M | 81.3 | Confident | 81.9 | Confident | 55 Ų | 55 | 82.6 Ų | 82.6 | 27% | 0.271 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -57.3 | 133.6 | 171.9 | -167.1 | 172 | -72.7 | 0 | 0 | 110.1 | A185 L198 Y250 P271 F274 | M183-A185 PolarHBondContact O-N 2.92Å; M183-L198 HydrophobicContact CE-CD2 4Å; M183-L198 HydrophobicContact SD-CD2 3.8Å; M183-Y250 PolarHBondContact O-OH 3.38Å; M183-Y250 VanDerWaalsContact O-OH 3.11Å; M183-P271 HydrophobicContact CB-CG 4.19Å; M183-F274 HydrophobicContact SD-CE2 3.57Å; M183-F274 VanDerWaalsContact SD-CE2 3.57Å; M183-F274 HydrophobicContact SD-CZ 4.04Å |
| 184 | P | 82.8 | Confident | 81.8 | Confident | 98 Ų | 98 | 84 Ų | 84 | 64% | 0.636 | 44% | 0.436 | S | S | * | . | P | Polyproline II helix | trans | -58 | 135.6 | 177.1 | -25.6 | 34.7 | 0 | 0 | 0 | 111.4 | Q273 | P184-Q273 PolarHBondContact O-NE2 2.9Š|
| 185 | A | 82.2 | Confident | 81.6 | Confident | 22 Ų | 22 | 89.9 Ų | 89.9 | 18% | 0.182 | 47% | 0.473 | C | S | . | . | P | Polyproline II helix | trans | -87.2 | 141.5 | 173 | 0 | 0 | 0 | 0 | 0 | 111 | M183 D249 Y250 P271 Q273 | M183-A185 PolarHBondContact O-N 2.92Å; A185-D249 HydrophobicContact CB-CB 3.75Å; A185-D249 WeakPolarHBondContact CB-O 3.46Å; A185-Y250 HydrophobicContact CB-CD1 4.32Å; A185-Y250 HydrophobicContact CB-CD2 4.38Å; A185-Y250 HydrophobicContact CB-CE1 3.85Å; A185-Y250 HydrophobicContact CB-CE2 3.89Å; A185-Y250 PolarHBondContact N-OH 2.88Å; A185-P271 HydrophobicContact CB-CB 4.08Å; A185-Q273 VanDerWaalsContact CA-OE1 3.28Å |
| 186 | I | 80.8 | Confident | 81.7 | Confident | 81 Ų | 81 | 88 Ų | 88 | 42% | 0.415 | 47% | 0.466 | S | S | . | . | trans | -108.9 | 107.7 | 175.8 | -55 | 174.3 | 0 | 0 | 0 | 107.6 | G188 A189 Q273 | I186-G188 PolarHBondContact O-N 2.81Å; I186-A189 HydrophobicContact CB-CB 3.92Å; I186-A189 HydrophobicContact CG2-CB 3.57Å; I186-A189 PolarHBondContact O-N 3.23Å; I186-Q273 VanDerWaalsContact N-OE1 3.12Å | ||
| 187 | K | 73.4 | Confident | 81.9 | Confident | 162 Ų | 162 | 84.6 Ų | 84.6 | 70% | 0.704 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | 126.6 | -176.6 | -170.8 | 170.3 | -176.9 | 167.2 | 0 | 110.8 | A189 | K187-A189 VanDerWaalsContact C-N 3.26Å; K187-A189 PolarHBondContact O-N 2.92Å |
| 188 | G | 72 | Confident | 82.2 | Confident | 82 Ų | 82 | 83.3 Ų | 83.3 | 85% | 0.845 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.9 | 0.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | I186 | I186-G188 PolarHBondContact O-N 2.81Š|
| 189 | A | 77.3 | Confident | 82.3 | Confident | 32 Ų | 32 | 81.2 Ų | 81.2 | 26% | 0.264 | 44% | 0.439 | S | S | . | . | trans | -87.3 | 146.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | I186 K187 Q273 | I186-A189 HydrophobicContact CB-CB 3.92Å; I186-A189 HydrophobicContact CG2-CB 3.57Å; I186-A189 PolarHBondContact O-N 3.23Å; K187-A189 VanDerWaalsContact C-N 3.26Å; K187-A189 PolarHBondContact O-N 2.92Å; A189-Q273 HydrophobicContact CB-CB 4.2Å; A189-Q273 WeakPolarHBondContact O-CA 3.44Å; A189-Q273 VanDerWaalsContact O-CB 3.25Å; A189-Q273 WeakPolarHBondContact O-CB 3.19Å | ||
| 190 | K | 80.9 | Confident | 82.3 | Confident | 166 Ų | 166 | 81.2 Ų | 81.2 | 72% | 0.722 | 44% | 0.441 | S | S | * | . | trans | -117.7 | 107 | 165.5 | -62.6 | -173.8 | -176.8 | -151.1 | 0 | 107.2 | D276 | K190-D276 WeakPolarHBondContact CD-OD2 3.42Å; K190-D276 WeakPolarHBondContact CE-OD2 3.47Å; K190-D276 IonicContact NZ-OD2 2.93Å; K190-D276 PolarHBondContact NZ-OD2 2.9Å | ||
| 191 | E | 84.3 | Confident | 82.9 | Confident | 85 Ų | 85 | 71.9 Ų | 71.9 | 40% | 0.397 | 40% | 0.398 | S | S | . | . | trans | -105.5 | 150.6 | -179.1 | -79 | -170.4 | 163.2 | 0 | 0 | 110.9 | Q273 F274 A277 | E191-Q273 HydrophobicContact CB-CB 4.46Å; E191-Q273 HydrophobicContact CB-CG 4.27Å; E191-Q273 PolarHBondContact N-O 2.81Å; E191-F274 HydrophobicContact CB-CD1 4.1Å; E191-F274 HydrophobicContact CB-CE1 3.68Å; E191-A277 WeakPolarHBondContact O-CB 3.31Å | ||
| 192 | R | 84.9 | Confident | 83.4 | Confident | 226 Ų | 226 | 68.3 Ų | 68.3 | 85% | 0.853 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -67.6 | 155.6 | 170.3 | -66.2 | -169.6 | -179 | -174.9 | 2 | 109.7 | F274 | R192-F274 WeakPolarHBondContact O-CE1 3.33Š|
| 193 | L | 85.5 | Confident | 83.8 | Confident | 23 Ų | 23 | 68.7 Ų | 68.7 | 12% | 0.12 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -57.3 | 129.8 | 174.4 | -63.8 | -177.3 | 0 | 0 | 0 | 110.4 | F213 F274 A277 I278 T281 | L193-F213 HydrophobicContact CD1-CB 4.21Å; L193-F213 HydrophobicContact CD1-CD1 3.59Å; L193-F213 HydrophobicContact CD1-CD2 4.11Å; L193-F213 HydrophobicContact CD1-CE1 3.93Å; L193-F213 HydrophobicContact CD1-CE2 4.43Å; L193-F213 HydrophobicContact CD1-CG 3.7Å; L193-F213 HydrophobicContact CD1-CZ 4.36Å; L193-F213 HydrophobicContact CD2-CE2 4.31Å; L193-F213 HydrophobicContact CD2-CZ 4.45Å; L193-F274 HydrophobicContact CD2-CB 4.37Å; L193-A277 HydrophobicContact CD2-CB 3.86Å; L193-A277 HydrophobicContact CG-CB 3.88Å; L193-I278 HydrophobicContact CD2-CB 4.3Å; L193-I278 HydrophobicContact CD2-CD1 4.45Å; L193-I278 HydrophobicContact CD2-CG1 3.38Å; L193-T281 HydrophobicContact CD1-CG2 3.71Å; L193-T281 WeakPolarHBondContact CD1-OG1 3.43Å |
| 194 | P | 81.8 | Confident | 84.1 | Confident | 33 Ų | 33 | 73.2 Ų | 73.2 | 21% | 0.214 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 154.4 | 175.4 | 27.9 | -31.5 | 0 | 0 | 0 | 110.2 | V196 L198 F274 | P194-V196 HydrophobicContact CB-CG2 3.79Å; P194-V196 HydrophobicContact CG-CG2 4.35Å; P194-V196 PolarHBondContact O-N 3Å; P194-L198 HydrophobicContact CG-CD2 3.51Å; P194-L198 HydrophobicContact CG-CG 4.32Å; P194-F274 HydrophobicContact CG-CE1 4.25Å; P194-F274 HydrophobicContact CG-CZ 4.26Å |
| 195 | T | 79.8 | Confident | 84.2 | Confident | 144 Ų | 144 | 72.8 Ų | 72.8 | 88% | 0.883 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -72 | -17.9 | 170.9 | 53.9 | 0 | 0 | 0 | 0 | 112.1 | ||
| 196 | V | 86.4 | Confident | 84.3 | Confident | 81 Ų | 81 | 72.3 Ų | 72.3 | 49% | 0.491 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -86.8 | 149.8 | 175.2 | -63.6 | 0 | 0 | 0 | 0 | 111.4 | P194 L198 | P194-V196 HydrophobicContact CB-CG2 3.79Å; P194-V196 HydrophobicContact CG-CG2 4.35Å; P194-V196 PolarHBondContact O-N 3Å; V196-L198 PolarHBondContact O-N 3.18Å |
| 197 | P | 87.8 | Confident | 84.7 | Confident | 46 Ų | 46 | 69.9 Ų | 69.9 | 30% | 0.299 | 39% | 0.389 | S | S | . | . | trans | -64.4 | 133.2 | 178 | -21.2 | 33 | 0 | 0 | 0 | 113 | S199 R210 L211 T212 | P197-S199 PolarHBondContact O-N 2.88Å; P197-S199 PolarHBondContact O-OG 2.78Å; P197-R210 HydrophobicContact CB-CG 3.72Å; P197-L211 CarbonylContact C-O 3.49Å; P197-L211 WeakPolarHBondContact CA-O 3.46Å; P197-T212 WeakPolarHBondContact CB-OG1 3.42Å; P197-T212 HydrophobicContact CG-CG2 4.14Å; P197-T212 WeakPolarHBondContact CG-OG1 3.32Å | ||
| 198 | L | 90.6 | Very high | 85.5 | Confident | 2 Ų | 2 | 67.9 Ų | 67.9 | 1% | 0.01 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 115.1 | 167.5 | -60.7 | -176.9 | 0 | 0 | 0 | 108.1 | M183 P194 V196 M201 R210 L211 F213 F274 I278 | M183-L198 HydrophobicContact CE-CD2 4Å; M183-L198 HydrophobicContact SD-CD2 3.8Å; P194-L198 HydrophobicContact CG-CD2 3.51Å; P194-L198 HydrophobicContact CG-CG 4.32Å; V196-L198 PolarHBondContact O-N 3.18Å; L198-M201 HydrophobicContact CB-CE 3.56Å; L198-M201 WeakPolarHBondContact O-CE 3.2Å; L198-R210 CarbonylContact O-C 3.53Å; L198-R210 VanDerWaalsContact O-CA 3.28Å; L198-R210 WeakPolarHBondContact O-CA 3.3Å; L198-L211 HydrophobicContact CB-CB 4.4Å; L198-L211 PolarHBondContact N-O 3.42Å; L198-L211 PolarHBondContact O-N 3.07Å; L198-F213 HydrophobicContact CD1-CE2 4.03Å; L198-F213 HydrophobicContact CG-CE2 4.47Å; L198-F274 HydrophobicContact CD1-CB 4.25Å; L198-F274 HydrophobicContact CD1-CD2 4.19Å; L198-F274 HydrophobicContact CD1-CG 4.34Å; L198-F274 HydrophobicContact CD2-CD2 3.76Å; L198-F274 HydrophobicContact CD2-CE2 3.81Å; L198-F274 HydrophobicContact CD2-CG 4.38Å; L198-F274 HydrophobicContact CD2-CZ 4.45Å; L198-I278 HydrophobicContact CD1-CD1 3.96Å |
| 199 | S | 87.7 | Confident | 86.5 | Confident | 50 Ų | 50 | 64.1 Ų | 64.1 | 35% | 0.35 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 164.5 | -173.5 | -58.8 | 0 | 0 | 0 | 0 | 111.2 | P197 | P197-S199 PolarHBondContact O-N 2.88Å; P197-S199 PolarHBondContact O-OG 2.78Å |
| 200 | G | 83.8 | Confident | 87.3 | Confident | 9 Ų | 9 | 68.2 Ų | 68.2 | 9% | 0.093 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 86.9 | 0.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | P179 I182 | P179-G200 WeakPolarHBondContact CB-O 3.27Å; P179-G200 WeakPolarHBondContact CG-O 3.31Å; I182-G200 VanDerWaalsContact CD1-C 3.42Å; I182-G200 WeakPolarHBondContact CD1-O 3.19Å |
| 201 | M | 92.6 | Very high | 87.9 | Confident | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 167.2 | 176.8 | -69.9 | 168.1 | -69.7 | 0 | 0 | 111.8 | I182 L198 K208 V209 L211 V267 Y268 V270 | I182-M201 HydrophobicContact CD1-CB 4.25Å; I182-M201 HydrophobicContact CD1-CG 3.51Å; L198-M201 HydrophobicContact CB-CE 3.56Å; L198-M201 WeakPolarHBondContact O-CE 3.2Å; M201-K208 CarbonylContact O-C 3.55Å; M201-K208 WeakPolarHBondContact O-CA 3.42Å; M201-V209 HydrophobicContact CB-CG1 3.67Å; M201-V209 PolarHBondContact N-O 3.01Å; M201-V209 PolarHBondContact O-N 2.76Å; M201-L211 HydrophobicContact CE-CB 3.97Å; M201-L211 HydrophobicContact CE-CD1 3.8Å; M201-L211 HydrophobicContact CE-CG 3.59Å; M201-L211 HydrophobicContact SD-CD1 4.07Å; M201-L211 HydrophobicContact SD-CG 4.46Å; M201-V267 HydrophobicContact CB-CG1 3.67Å; M201-V267 HydrophobicContact CE-CG1 4.47Å; M201-V267 HydrophobicContact CG-CG1 4.05Å; M201-V267 HydrophobicContact SD-CG1 3.56Å; M201-V267 VanDerWaalsContact SD-CG1 3.56Å; M201-Y268 WeakPolarHBondContact CB-O 3.34Å; M201-V270 HydrophobicContact SD-CB 4.42Å; M201-V270 HydrophobicContact SD-CG2 3.86Å |
| 202 | F | 92 | Very high | 88.3 | Confident | 23 Ų | 23 | 57.2 Ų | 57.2 | 10% | 0.101 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 151.5 | 173.2 | -71.4 | -30.8 | 0 | 0 | 0 | 113.2 | V173 K176 P179 G207 K208 V267 Y268 W269 | V173-F202 HydrophobicContact CG1-CB 3.85Å; V173-F202 HydrophobicContact CG1-CD2 4.16Å; V173-F202 HydrophobicContact CG1-CG 4.41Å; K176-F202 HydrophobicContact CB-CE2 4.34Å; P179-F202 HydrophobicContact CB-CE1 4.17Å; P179-F202 HydrophobicContact CB-CE2 4.28Å; P179-F202 HydrophobicContact CB-CZ 3.88Å; P179-F202 HydrophobicContact CG-CD1 4.33Å; P179-F202 HydrophobicContact CG-CD2 3.92Å; P179-F202 HydrophobicContact CG-CE1 4.09Å; P179-F202 HydrophobicContact CG-CE2 3.66Å; P179-F202 HydrophobicContact CG-CG 4.24Å; P179-F202 HydrophobicContact CG-CZ 3.74Å; F202-G207 CarbonylContact C-O 3.52Å; F202-G207 WeakPolarHBondContact CA-O 3.23Å; F202-K208 HydrophobicContact CD1-CG 4.49Å; F202-K208 HydrophobicContact CE1-CG 4.14Å; F202-V267 CarbonylContact O-C 3.53Å; F202-V267 VanDerWaalsContact O-CA 3.31Å; F202-V267 WeakPolarHBondContact O-CA 3.01Å; F202-Y268 HydrophobicContact CB-CD2 4.48Å; F202-Y268 PolarHBondContact N-O 2.8Å; F202-Y268 WeakPolarHBondContact O-CD2 3.47Å; F202-Y268 PolarHBondContact O-N 2.78Å; F202-W269 AromaticContact CD2-CD1 3.73Å; F202-W269 AromaticContact CD2-NE1 3.88Å |
| 203 | N | 91.2 | Very high | 88.7 | Confident | 22 Ų | 22 | 47.3 Ų | 47.3 | 12% | 0.118 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | -178.3 | 167.2 | 71.9 | 12.7 | 0 | 0 | 0 | 111.8 | S205 G206 G207 V209 W266 | N203-S205 PolarHBondContact O-N 2.85Å; N203-S205 VanDerWaalsContact O-N 3.11Å; N203-S205 WeakPolarHBondContact OD1-CA 3.48Å; N203-S205 WeakPolarHBondContact OD1-CB 3.38Å; N203-S205 PolarHBondContact OD1-N 3.3Å; N203-G206 WeakPolarHBondContact O-CA 3.47Å; N203-G206 PolarHBondContact O-N 3.49Å; N203-G206 PolarHBondContact OD1-N 2.77Å; N203-G206 VanDerWaalsContact OD1-N 3.12Å; N203-G207 PolarHBondContact N-O 3.48Å; N203-G207 PolarHBondContact OD1-N 3.25Å; N203-G207 PolarHBondContact OD1-O 3.37Å; N203-V209 HydrophobicContact CB-CB 4.48Å; N203-W266 WeakPolarHBondContact CA-O 3.44Å |
| 204 | K | 87.6 | Confident | 88.9 | Confident | 149 Ų | 149 | 50.4 Ų | 50.4 | 65% | 0.648 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -23.4 | 177.8 | 71.4 | 179.3 | -178.1 | -177.4 | 0 | 115.7 | V173 G206 | V173-K204 VanDerWaalsContact CG2-O 3.3Å; V173-K204 WeakPolarHBondContact CG2-O 3.28Å; K204-G206 VanDerWaalsContact C-N 3.33Å |
| 205 | S | 85.4 | Confident | 89.2 | Confident | 89 Ų | 89 | 53.8 Ų | 53.8 | 62% | 0.622 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -4.1 | 175.7 | -53 | 0 | 0 | 0 | 0 | 112 | K176 N203 G207 | K176-S205 PolarHBondContact NZ-O 3.12Å; K176-S205 VanDerWaalsContact NZ-O 3.07Å; N203-S205 PolarHBondContact O-N 2.85Å; N203-S205 VanDerWaalsContact O-N 3.11Å; N203-S205 WeakPolarHBondContact OD1-CA 3.48Å; N203-S205 WeakPolarHBondContact OD1-CB 3.38Å; N203-S205 PolarHBondContact OD1-N 3.3Å; S205-G207 VanDerWaalsContact C-N 3.29Å |
| 206 | G | 84.8 | Confident | 89.6 | Confident | 12 Ų | 12 | 56.3 Ų | 56.3 | 12% | 0.124 | 30% | 0.296 | C | S | . | . | S | Bend | trans | 67.4 | 27.9 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | K176 N203 K204 | K176-G206 PolarHBondContact NZ-O 3.23Å; N203-G206 WeakPolarHBondContact O-CA 3.47Å; N203-G206 PolarHBondContact O-N 3.49Å; N203-G206 PolarHBondContact OD1-N 2.77Å; N203-G206 VanDerWaalsContact OD1-N 3.12Å; K204-G206 VanDerWaalsContact C-N 3.33Å |
| 207 | G | 88.8 | Confident | 89.7 | Confident | 30 Ų | 30 | 57.7 Ų | 57.7 | 31% | 0.309 | 30% | 0.297 | S | S | . | . | trans | -85.4 | 149.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | F202 N203 S205 V209 | F202-G207 CarbonylContact C-O 3.52Å; F202-G207 WeakPolarHBondContact CA-O 3.23Å; N203-G207 PolarHBondContact N-O 3.48Å; N203-G207 PolarHBondContact OD1-N 3.25Å; N203-G207 PolarHBondContact OD1-O 3.37Å; S205-G207 VanDerWaalsContact C-N 3.29Å; G207-V209 PolarHBondContact O-N 3.11Å | ||
| 208 | K | 91.1 | Very high | 89.8 | Confident | 121 Ų | 121 | 59.6 Ų | 59.6 | 53% | 0.526 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 130.9 | 178.2 | -65.6 | -175.1 | -179 | -176.3 | 0 | 110.5 | D181 M201 F202 | D181-K208 IonicContact OD2-NZ 2.63Å; D181-K208 PolarHBondContact OD2-NZ 3.02Å; M201-K208 CarbonylContact O-C 3.55Å; M201-K208 WeakPolarHBondContact O-CA 3.42Å; F202-K208 HydrophobicContact CD1-CG 4.49Å; F202-K208 HydrophobicContact CE1-CG 4.14Å |
| 209 | V | 93.3 | Very high | 89.9 | Confident | 3 Ų | 3 | 62 Ų | 62 | 2% | 0.018 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 144.3 | 177.2 | 71.3 | 0 | 0 | 0 | 0 | 110.6 | M201 N203 G207 I222 G223 T224 Y265 V267 | M201-V209 HydrophobicContact CB-CG1 3.67Å; M201-V209 PolarHBondContact N-O 3.01Å; M201-V209 PolarHBondContact O-N 2.76Å; N203-V209 HydrophobicContact CB-CB 4.48Å; G207-V209 PolarHBondContact O-N 3.11Å; V209-I222 HydrophobicContact CG2-CG2 3.54Å; V209-G223 CarbonylContact C-O 3.55Å; V209-G223 WeakPolarHBondContact CA-O 3.39Å; V209-G223 WeakPolarHBondContact CG2-O 3.3Å; V209-T224 HydrophobicContact CG2-CG2 4.3Å; V209-Y265 HydrophobicContact CG2-CE1 4.39Å; V209-V267 HydrophobicContact CG1-CG1 3.9Å |
| 210 | R | 92.8 | Very high | 90.2 | Very high | 117 Ų | 117 | 59.6 Ų | 59.6 | 44% | 0.442 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 131.3 | 177 | 155.3 | 171.1 | 72 | -167.5 | 3.7 | 108.4 | P197 L198 G223 | P197-R210 HydrophobicContact CB-CG 3.72Å; L198-R210 CarbonylContact O-C 3.53Å; L198-R210 VanDerWaalsContact O-CA 3.28Å; L198-R210 WeakPolarHBondContact O-CA 3.3Å; R210-G223 PolarHBondContact N-O 2.83Å; R210-G223 PolarHBondContact O-N 3.12Å |
| 211 | L | 93.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 123 | 170.9 | -59.1 | 179.3 | 0 | 0 | 0 | 109.4 | P197 L198 M201 F213 L220 W221 I222 M253 F255 V267 | P197-L211 CarbonylContact C-O 3.49Å; P197-L211 WeakPolarHBondContact CA-O 3.46Å; L198-L211 HydrophobicContact CB-CB 4.4Å; L198-L211 PolarHBondContact N-O 3.42Å; L198-L211 PolarHBondContact O-N 3.07Å; M201-L211 HydrophobicContact CE-CB 3.97Å; M201-L211 HydrophobicContact CE-CD1 3.8Å; M201-L211 HydrophobicContact CE-CG 3.59Å; M201-L211 HydrophobicContact SD-CD1 4.07Å; M201-L211 HydrophobicContact SD-CG 4.46Å; L211-F213 HydrophobicContact CB-CE2 3.98Å; L211-F213 HydrophobicContact CB-CZ 4.36Å; L211-L220 HydrophobicContact CB-CD1 4.26Å; L211-L220 HydrophobicContact CD2-CD1 4.3Å; L211-W221 WeakPolarHBondContact CA-O 3.41Å; L211-I222 HydrophobicContact CD2-CB 4.36Å; L211-I222 HydrophobicContact CD2-CG1 3.92Å; L211-I222 HydrophobicContact CD2-CG2 4.2Å; L211-M253 HydrophobicContact CD1-CE 4.38Å; L211-F255 HydrophobicContact CD1-CE2 3.97Å; L211-F255 HydrophobicContact CD1-CZ 4.06Å; L211-F255 HydrophobicContact CD2-CE2 4.38Å; L211-V267 HydrophobicContact CD1-CG1 4.33Å; L211-V267 HydrophobicContact CD1-CG2 4.43Å; L211-V267 HydrophobicContact CD2-CG2 4.4Å |
| 212 | T | 93.5 | Very high | 90.8 | Very high | 20 Ų | 20 | 62 Ų | 62 | 12% | 0.123 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 124.1 | 173.4 | -50.7 | 0 | 0 | 0 | 0 | 109.1 | P197 W221 | P197-T212 WeakPolarHBondContact CB-OG1 3.42Å; P197-T212 HydrophobicContact CG-CG2 4.14Å; P197-T212 WeakPolarHBondContact CG-OG1 3.32Å; T212-W221 PolarHBondContact N-O 2.94Å; T212-W221 PolarHBondContact O-N 2.92Å |
| 213 | F | 92.3 | Very high | 90.8 | Very high | 18 Ų | 18 | 61.1 Ų | 61.1 | 8% | 0.079 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 109.9 | 178.5 | -62.3 | -94.4 | 0 | 0 | 0 | 109.4 | L193 L198 L211 L215 L220 M233 I278 V282 | L193-F213 HydrophobicContact CD1-CB 4.21Å; L193-F213 HydrophobicContact CD1-CD1 3.59Å; L193-F213 HydrophobicContact CD1-CD2 4.11Å; L193-F213 HydrophobicContact CD1-CE1 3.93Å; L193-F213 HydrophobicContact CD1-CE2 4.43Å; L193-F213 HydrophobicContact CD1-CG 3.7Å; L193-F213 HydrophobicContact CD1-CZ 4.36Å; L193-F213 HydrophobicContact CD2-CE2 4.31Å; L193-F213 HydrophobicContact CD2-CZ 4.45Å; L198-F213 HydrophobicContact CD1-CE2 4.03Å; L198-F213 HydrophobicContact CG-CE2 4.47Å; L211-F213 HydrophobicContact CB-CE2 3.98Å; L211-F213 HydrophobicContact CB-CZ 4.36Å; F213-L215 HydrophobicContact CB-CD2 4.15Å; F213-L215 PolarHBondContact O-N 2.81Å; F213-L220 HydrophobicContact CD1-CD1 3.88Å; F213-L220 HydrophobicContact CE1-CD1 3.61Å; F213-L220 HydrophobicContact CE2-CD1 4.33Å; F213-L220 HydrophobicContact CG-CD1 4.35Å; F213-L220 HydrophobicContact CZ-CD1 3.83Å; F213-M233 HydrophobicContact CB-CE 4.22Å; F213-M233 HydrophobicContact CD1-CE 3.82Å; F213-I278 HydrophobicContact CE1-CG1 4.26Å; F213-I278 HydrophobicContact CE1-CG2 4.02Å; F213-I278 HydrophobicContact CE2-CD1 4.5Å; F213-I278 HydrophobicContact CE2-CG1 4.29Å; F213-I278 HydrophobicContact CZ-CB 4.34Å; F213-I278 HydrophobicContact CZ-CD1 4Å; F213-I278 HydrophobicContact CZ-CG1 3.65Å; F213-I278 HydrophobicContact CZ-CG2 3.94Å; F213-V282 HydrophobicContact CE1-CG2 4.23Å |
| 214 | K | 90.9 | Very high | 90.9 | Very high | 88 Ų | 88 | 61.5 Ų | 61.5 | 38% | 0.383 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 79.3 | 174.3 | -69.9 | -64.8 | -170.4 | 176.4 | 0 | 108.7 | E216 Q217 D218 Q219 | K214-E216 VanDerWaalsContact C-N 3.3Å; K214-E216 PolarHBondContact O-N 3.27Å; K214-Q217 HydrophobicContact CB-CB 4.2Å; K214-Q217 CarbonylContact O-C 3.45Å; K214-Q217 PolarHBondContact O-N 2.93Å; K214-Q217 VanDerWaalsContact O-N 3.08Å; K214-D218 PolarHBondContact O-N 3.09Å; K214-Q219 HydrophobicContact CB-CB 4.32Å; K214-Q219 PolarHBondContact N-O 3.31Å; K214-Q219 PolarHBondContact O-N 2.9Å; K214-Q219 VanDerWaalsContact O-N 3.11Å |
| 215 | L | 87.9 | Confident | 90.9 | Very high | 104 Ų | 104 | 64.5 Ų | 64.5 | 55% | 0.545 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -58.4 | -39.9 | -175.4 | -55.5 | -177 | 0 | 0 | 0 | 112.6 | F213 Q217 D218 M233 T281 | F213-L215 HydrophobicContact CB-CD2 4.15Å; F213-L215 PolarHBondContact O-N 2.81Å; L215-Q217 PolarHBondContact O-N 2.82Å; L215-D218 PolarHBondContact O-N 2.85Å; L215-M233 HydrophobicContact CD2-CE 4.08Å; L215-T281 HydrophobicContact CD2-CG2 3.34Å |
| 216 | E | 87.8 | Confident | 91 | Very high | 198 Ų | 198 | 68.3 Ų | 68.3 | 93% | 0.925 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -63.6 | -28.4 | 178 | -64.8 | 178.9 | 174.1 | 0 | 0 | 113.5 | K214 | K214-E216 VanDerWaalsContact C-N 3.3Å; K214-E216 PolarHBondContact O-N 3.27Å |
| 217 | Q | 88.1 | Confident | 91.3 | Very high | 109 Ų | 109 | 74.6 Ų | 74.6 | 51% | 0.509 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | -102 | 1.4 | -178.6 | -59.5 | -173.8 | -53.4 | 0 | 0 | 112.3 | K214 L215 Q219 | K214-Q217 HydrophobicContact CB-CB 4.2Å; K214-Q217 CarbonylContact O-C 3.45Å; K214-Q217 PolarHBondContact O-N 2.93Å; K214-Q217 VanDerWaalsContact O-N 3.08Å; L215-Q217 PolarHBondContact O-N 2.82Å; Q217-Q219 VanDerWaalsContact C-N 3.26Å; Q217-Q219 HydrophobicContact CB-CB 4.45Å; Q217-Q219 HydrophobicContact CB-CG 4.42Å; Q217-Q219 WeakPolarHBondContact O-CG 3.02Å; Q217-Q219 PolarHBondContact O-N 3.17Å |
| 218 | D | 89.4 | Confident | 91.5 | Very high | 86 Ų | 86 | 76.2 Ų | 76.2 | 46% | 0.46 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 44.8 | -172.5 | -163.6 | 52.6 | 0 | 0 | 0 | 112.9 | K214 L215 M233 | K214-D218 PolarHBondContact O-N 3.09Å; L215-D218 PolarHBondContact O-N 2.85Å; D218-M233 PolarHBondContact O-N 3.2Å; D218-M233 WeakPolarHBondContact OD1-CB 3.4Å |
| 219 | Q | 92.5 | Very high | 91.6 | Very high | 52 Ų | 52 | 73.9 Ų | 73.9 | 24% | 0.243 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 136.2 | -175.9 | -76.4 | 176.1 | 9.7 | 0 | 0 | 112.8 | K214 Q217 V231 M233 | K214-Q219 HydrophobicContact CB-CB 4.32Å; K214-Q219 PolarHBondContact N-O 3.31Å; K214-Q219 PolarHBondContact O-N 2.9Å; K214-Q219 VanDerWaalsContact O-N 3.11Å; Q217-Q219 VanDerWaalsContact C-N 3.26Å; Q217-Q219 HydrophobicContact CB-CB 4.45Å; Q217-Q219 HydrophobicContact CB-CG 4.42Å; Q217-Q219 WeakPolarHBondContact O-CG 3.02Å; Q217-Q219 PolarHBondContact O-N 3.17Å; Q219-V231 CarbonylContact C-O 3.52Å; Q219-V231 WeakPolarHBondContact CA-O 3.46Å; Q219-M233 WeakPolarHBondContact O-CE 3.36Å |
| 220 | L | 94 | Very high | 91.7 | Very high | 0 Ų | 0 | 79.6 Ų | 79.6 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 120.5 | 164.6 | 173.3 | 59.2 | 0 | 0 | 0 | 109.2 | L211 F213 I222 V231 M233 I236 F255 | L211-L220 HydrophobicContact CB-CD1 4.26Å; L211-L220 HydrophobicContact CD2-CD1 4.3Å; F213-L220 HydrophobicContact CD1-CD1 3.88Å; F213-L220 HydrophobicContact CE1-CD1 3.61Å; F213-L220 HydrophobicContact CE2-CD1 4.33Å; F213-L220 HydrophobicContact CG-CD1 4.35Å; F213-L220 HydrophobicContact CZ-CD1 3.83Å; L220-I222 HydrophobicContact CD2-CG1 4.4Å; L220-I222 HydrophobicContact CG-CG1 4.18Å; L220-V231 HydrophobicContact CB-CB 4.45Å; L220-V231 PolarHBondContact N-O 3.49Å; L220-V231 WeakPolarHBondContact O-CA 3.49Å; L220-V231 WeakPolarHBondContact O-CB 3.07Å; L220-V231 PolarHBondContact O-N 2.95Å; L220-M233 HydrophobicContact CB-CG 4.48Å; L220-I236 HydrophobicContact CB-CD1 4.36Å; L220-I236 HydrophobicContact CD2-CD1 3.84Å; L220-F255 HydrophobicContact CD2-CD1 3.9Å; L220-F255 HydrophobicContact CD2-CD2 4.33Å; L220-F255 HydrophobicContact CD2-CE1 3.73Å; L220-F255 HydrophobicContact CD2-CE2 4.17Å; L220-F255 HydrophobicContact CD2-CG 4.19Å; L220-F255 HydrophobicContact CD2-CZ 3.86Å |
| 221 | W | 94.6 | Very high | 91.7 | Very high | 60 Ų | 60 | 74.4 Ų | 74.4 | 23% | 0.227 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 123.4 | 174.3 | -66.1 | 18.1 | 0 | 0 | 0 | 110.1 | L211 T212 T228 E229 K230 | L211-W221 WeakPolarHBondContact CA-O 3.41Å; T212-W221 PolarHBondContact N-O 2.94Å; T212-W221 PolarHBondContact O-N 2.92Å; W221-T228 HydrophobicContact CB-CG2 3.97Å; W221-T228 HydrophobicContact CD2-CG2 4.36Å; W221-T228 HydrophobicContact CE3-CG2 3.93Å; W221-T228 HydrophobicContact CG-CG2 4.42Å; W221-E229 CarbonylContact C-O 3.2Å; W221-E229 WeakPolarHBondContact CA-O 3.3Å; W221-K230 HydrophobicContact CD2-CD 4.31Å; W221-K230 HydrophobicContact CD2-CG 3.96Å; W221-K230 HydrophobicContact CG-CG 4.04Å; W221-K230 HydrophobicContact CH2-CD 4.42Å; W221-K230 HydrophobicContact CZ2-CD 3.75Å; W221-K230 VanDerWaalsContact CZ2-CE 3.42Å; W221-K230 HydrophobicContact CZ2-CG 4.32Å |
| 222 | I | 94.9 | Very high | 91.6 | Very high | 2 Ų | 2 | 77.6 Ų | 77.6 | 1% | 0.01 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 96.1 | 177.7 | -52.7 | 178.9 | 0 | 0 | 0 | 107.9 | V209 L211 L220 T228 E229 V231 L257 Y265 | V209-I222 HydrophobicContact CG2-CG2 3.54Å; L211-I222 HydrophobicContact CD2-CB 4.36Å; L211-I222 HydrophobicContact CD2-CG1 3.92Å; L211-I222 HydrophobicContact CD2-CG2 4.2Å; L220-I222 HydrophobicContact CD2-CG1 4.4Å; L220-I222 HydrophobicContact CG-CG1 4.18Å; I222-T228 WeakPolarHBondContact O-CA 3.27Å; I222-E229 HydrophobicContact CB-CB 4.43Å; I222-E229 PolarHBondContact N-O 2.97Å; I222-E229 PolarHBondContact O-N 3.3Å; I222-V231 HydrophobicContact CD1-CG2 3.99Å; I222-V231 HydrophobicContact CG1-CG2 4.41Å; I222-L257 HydrophobicContact CD1-CD1 4.5Å; I222-Y265 HydrophobicContact CD1-CD1 4.03Å; I222-Y265 HydrophobicContact CD1-CD2 4.49Å; I222-Y265 HydrophobicContact CD1-CE1 4.35Å; I222-Y265 HydrophobicContact CD1-CG 4.11Å; I222-Y265 HydrophobicContact CG2-CD1 4.28Å; I222-Y265 HydrophobicContact CG2-CE1 3.56Å; I222-Y265 HydrophobicContact CG2-CE2 4.16Å; I222-Y265 VanDerWaalsContact CG2-CZ 3.48Å; I222-Y265 WeakPolarHBondContact CG2-OH 3.43Å |
| 223 | G | 93.2 | Very high | 91.4 | Very high | 4 Ų | 4 | 76.8 Ų | 76.8 | 4% | 0.041 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 120.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V209 R210 | V209-G223 CarbonylContact C-O 3.55Å; V209-G223 WeakPolarHBondContact CA-O 3.39Å; V209-G223 WeakPolarHBondContact CG2-O 3.3Å; R210-G223 PolarHBondContact N-O 2.83Å; R210-G223 PolarHBondContact O-N 3.12Å |
| 224 | T | 91.8 | Very high | 91.1 | Very high | 30 Ų | 30 | 79.4 Ų | 79.4 | 18% | 0.184 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 172.1 | 167 | 63.6 | 0 | 0 | 0 | 0 | 109.6 | V209 E226 R227 | V209-T224 HydrophobicContact CG2-CG2 4.3Å; T224-E226 PolarHBondContact O-N 2.84Å; T224-R227 PolarHBondContact N-O 3.19Å; T224-R227 PolarHBondContact OG1-N 2.96Å; T224-R227 PolarHBondContact OG1-O 3.48Å |
| 225 | K | 87.9 | Confident | 91 | Very high | 212 Ų | 212 | 77.6 Ų | 77.6 | 92% | 0.922 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -56.9 | -34.2 | 175.7 | -174 | 178.3 | 179 | -176.9 | 0 | 112.5 | ||
| 226 | E | 87.9 | Confident | 91.1 | Very high | 169 Ų | 169 | 73 Ų | 73 | 79% | 0.79 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -87.6 | -40.7 | -174.4 | -64.2 | 170.5 | -175.9 | 0 | 0 | 112.5 | T224 | T224-E226 PolarHBondContact O-N 2.84Š|
| 227 | R | 90.3 | Very high | 91.1 | Very high | 143 Ų | 143 | 70.3 Ų | 70.3 | 54% | 0.54 | 35% | 0.354 | S | S | . | . | trans | -154.5 | 158.3 | -173.3 | 67.7 | -179 | -173.4 | -83.4 | 0.9 | 112.6 | T224 | T224-R227 PolarHBondContact N-O 3.19Å; T224-R227 PolarHBondContact OG1-N 2.96Å; T224-R227 PolarHBondContact OG1-O 3.48Å | ||
| 228 | T | 93.5 | Very high | 91 | Very high | 64 Ų | 64 | 68.7 Ų | 68.7 | 39% | 0.393 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 119.2 | 168.2 | -59.3 | 0 | 0 | 0 | 0 | 109.6 | W221 I222 | W221-T228 HydrophobicContact CB-CG2 3.97Å; W221-T228 HydrophobicContact CD2-CG2 4.36Å; W221-T228 HydrophobicContact CE3-CG2 3.93Å; W221-T228 HydrophobicContact CG-CG2 4.42Å; I222-T228 WeakPolarHBondContact O-CA 3.27Å |
| 229 | E | 92.9 | Very high | 91.1 | Very high | 72 Ų | 72 | 65 Ų | 65 | 34% | 0.336 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 127.4 | 176.6 | -170.3 | 173.3 | 153.7 | 0 | 0 | 109.4 | W221 I222 V231 | W221-E229 CarbonylContact C-O 3.2Å; W221-E229 WeakPolarHBondContact CA-O 3.3Å; I222-E229 HydrophobicContact CB-CB 4.43Å; I222-E229 PolarHBondContact N-O 2.97Å; I222-E229 PolarHBondContact O-N 3.3Å; E229-V231 HydrophobicContact CG-CG2 4.2Å |
| 230 | K | 95.3 | Very high | 91 | Very high | 124 Ų | 124 | 64.5 Ų | 64.5 | 54% | 0.539 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 109.5 | 179.4 | -57.2 | -177.4 | -175.9 | 176.9 | 0 | 108.5 | W221 | W221-K230 HydrophobicContact CD2-CD 4.31Å; W221-K230 HydrophobicContact CD2-CG 3.96Å; W221-K230 HydrophobicContact CG-CG 4.04Å; W221-K230 HydrophobicContact CH2-CD 4.42Å; W221-K230 HydrophobicContact CZ2-CD 3.75Å; W221-K230 VanDerWaalsContact CZ2-CE 3.42Å; W221-K230 HydrophobicContact CZ2-CG 4.32Å |
| 231 | V | 93.8 | Very high | 90.8 | Very high | 7 Ų | 7 | 65.6 Ų | 65.6 | 4% | 0.042 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 119.3 | -178 | -178.9 | 0 | 0 | 0 | 0 | 108.4 | Q219 L220 I222 E229 M233 I236 L257 | Q219-V231 CarbonylContact C-O 3.52Å; Q219-V231 WeakPolarHBondContact CA-O 3.46Å; L220-V231 HydrophobicContact CB-CB 4.45Å; L220-V231 PolarHBondContact N-O 3.49Å; L220-V231 WeakPolarHBondContact O-CA 3.49Å; L220-V231 WeakPolarHBondContact O-CB 3.07Å; L220-V231 PolarHBondContact O-N 2.95Å; I222-V231 HydrophobicContact CD1-CG2 3.99Å; I222-V231 HydrophobicContact CG1-CG2 4.41Å; E229-V231 HydrophobicContact CG-CG2 4.2Å; V231-M233 PolarHBondContact O-N 2.87Å; V231-I236 HydrophobicContact CG1-CD1 3.81Å; V231-I236 HydrophobicContact CG1-CG1 3.65Å; V231-L257 HydrophobicContact CG1-CD2 3.64Å; V231-L257 HydrophobicContact CG2-CD1 4.29Å; V231-L257 HydrophobicContact CG2-CD2 4.2Å |
| 232 | P | 91.9 | Very high | 90.5 | Very high | 68 Ų | 68 | 65.4 Ų | 65.4 | 44% | 0.442 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 131.1 | 169.4 | -20 | 32.3 | 0 | 0 | 0 | 110.1 | G234 S235 | P232-G234 VanDerWaalsContact C-N 3.32Å; P232-G234 PolarHBondContact O-N 2.9Å; P232-S235 WeakPolarHBondContact O-CB 3.36Å; P232-S235 PolarHBondContact O-N 3.32Å; P232-S235 PolarHBondContact O-OG 3.35Å |
| 233 | M | 88.1 | Confident | 90.2 | Very high | 3 Ų | 3 | 68.5 Ų | 68.5 | 2% | 0.015 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -61.4 | -42.1 | -176.1 | -67.6 | -173 | 179.7 | 0 | 0 | 111.5 | F213 L215 D218 Q219 L220 V231 S235 I236 T281 | F213-M233 HydrophobicContact CB-CE 4.22Å; F213-M233 HydrophobicContact CD1-CE 3.82Å; L215-M233 HydrophobicContact CD2-CE 4.08Å; D218-M233 PolarHBondContact O-N 3.2Å; D218-M233 WeakPolarHBondContact OD1-CB 3.4Å; Q219-M233 WeakPolarHBondContact O-CE 3.36Å; L220-M233 HydrophobicContact CB-CG 4.48Å; V231-M233 PolarHBondContact O-N 2.87Å; M233-S235 PolarHBondContact O-N 2.7Å; M233-I236 WeakPolarHBondContact O-CB 3.47Å; M233-I236 PolarHBondContact O-N 3.33Å; M233-T281 HydrophobicContact CE-CG2 3.9Å; M233-T281 HydrophobicContact SD-CG2 3.79Å |
| 234 | G | 86.8 | Confident | 90 | Very high | 73 Ų | 73 | 68.5 Ų | 68.5 | 75% | 0.753 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -60.7 | -12.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 116 | P232 | P232-G234 VanDerWaalsContact C-N 3.32Å; P232-G234 PolarHBondContact O-N 2.9Å |
| 235 | S | 88.1 | Confident | 89.5 | Confident | 49 Ų | 49 | 71.4 Ų | 71.4 | 34% | 0.343 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -83.1 | -16.9 | 173.6 | 74.6 | 0 | 0 | 0 | 0 | 113.4 | P232 M233 K237 | P232-S235 WeakPolarHBondContact O-CB 3.36Å; P232-S235 PolarHBondContact O-N 3.32Å; P232-S235 PolarHBondContact O-OG 3.35Å; M233-S235 PolarHBondContact O-N 2.7Å; S235-K237 PolarHBondContact O-N 3.39Å |
| 236 | I | 90.8 | Very high | 89.2 | Confident | 8 Ų | 8 | 64.5 Ų | 64.5 | 4% | 0.041 | 36% | 0.36 | C | S | . | . | trans | -81.9 | 108.6 | -177.9 | -56.6 | 172.1 | 0 | 0 | 0 | 108.2 | L220 V231 M233 N238 V239 F255 L257 V282 | L220-I236 HydrophobicContact CB-CD1 4.36Å; L220-I236 HydrophobicContact CD2-CD1 3.84Å; V231-I236 HydrophobicContact CG1-CD1 3.81Å; V231-I236 HydrophobicContact CG1-CG1 3.65Å; M233-I236 WeakPolarHBondContact O-CB 3.47Å; M233-I236 PolarHBondContact O-N 3.33Å; I236-N238 WeakPolarHBondContact CG2-O 3.45Å; I236-V239 HydrophobicContact CG2-CG2 3.98Å; I236-F255 HydrophobicContact CD1-CD1 4.21Å; I236-F255 HydrophobicContact CG2-CB 4.29Å; I236-F255 HydrophobicContact CG2-CD1 4.36Å; I236-L257 HydrophobicContact CG1-CD2 4.01Å; I236-V282 HydrophobicContact CB-CG1 3.58Å; I236-V282 HydrophobicContact CD1-CG1 3.49Å; I236-V282 VanDerWaalsContact CD1-CG1 3.49Å; I236-V282 HydrophobicContact CD1-CG2 4.41Å; I236-V282 HydrophobicContact CG1-CG1 4.09Å; I236-V282 HydrophobicContact CG2-CG1 3.55Å | ||
| 237 | K | 86.5 | Confident | 89 | Confident | 141 Ų | 141 | 59.9 Ų | 59.9 | 61% | 0.613 | 34% | 0.338 | S | S | * | . | trans | -76.8 | -27 | -174.2 | -62.7 | -173.2 | 178.2 | -173.9 | 0 | 113.8 | S235 Q256 | S235-K237 PolarHBondContact O-N 3.39Å; K237-Q256 HydrophobicContact CB-CG 4.14Å; K237-Q256 PolarHBondContact N-O 3.39Å; K237-Q256 VanDerWaalsContact N-O 3.17Å | ||
| 238 | N | 88 | Confident | 88.7 | Confident | 76 Ų | 76 | 57.9 Ų | 57.9 | 41% | 0.406 | 34% | 0.338 | S | S | . | . | trans | -159.9 | 151.5 | -174 | -167.4 | 14.8 | 0 | 0 | 0 | 110.6 | I236 Q256 | I236-N238 WeakPolarHBondContact CG2-O 3.45Å; N238-Q256 HydrophobicContact CB-CB 3.84Å; N238-Q256 HydrophobicContact CB-CG 4.3Å; N238-Q256 VanDerWaalsContact O-CB 3.23Å; N238-Q256 WeakPolarHBondContact O-CB 3.45Å; N238-Q256 PolarHBondContact O-N 3.11Å | ||
| 239 | V | 90.2 | Very high | 88.4 | Confident | 7 Ų | 7 | 56.9 Ų | 56.9 | 4% | 0.042 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 110.7 | 172.6 | -177.4 | 0 | 0 | 0 | 0 | 109 | I236 M253 A254 F255 K279 V282 L283 | I236-V239 HydrophobicContact CG2-CG2 3.98Å; V239-M253 HydrophobicContact CG1-CG 3.67Å; V239-M253 HydrophobicContact CG1-SD 3.75Å; V239-A254 VanDerWaalsContact CA-O 3.31Å; V239-A254 WeakPolarHBondContact CA-O 3.12Å; V239-F255 HydrophobicContact CG1-CD1 4.36Å; V239-F255 HydrophobicContact CG1-CE1 4.29Å; V239-F255 HydrophobicContact CG2-CD1 3.9Å; V239-F255 HydrophobicContact CG2-CE1 4.26Å; V239-K279 HydrophobicContact CB-CG 4.21Å; V239-K279 HydrophobicContact CG1-CG 3.98Å; V239-V282 HydrophobicContact CG2-CB 4.17Å; V239-V282 HydrophobicContact CG2-CG1 3.69Å; V239-L283 HydrophobicContact CB-CD1 4.28Å; V239-L283 HydrophobicContact CG2-CD1 4.34Å; V239-L283 HydrophobicContact CG2-CD2 4.2Å; V239-L283 HydrophobicContact CG2-CG 4.13Å |
| 240 | V | 90.3 | Very high | 88.3 | Confident | 42 Ų | 42 | 53.4 Ų | 53.4 | 26% | 0.255 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 136.8 | 176.2 | -179.4 | 0 | 0 | 0 | 0 | 108.3 | M253 A254 W266 | V240-M253 CarbonylContact O-C 3.53Å; V240-M253 WeakPolarHBondContact O-CA 3.44Å; V240-M253 WeakPolarHBondContact O-CG 3.32Å; V240-A254 HydrophobicContact CB-CB 4.35Å; V240-A254 PolarHBondContact N-O 2.98Å; V240-A254 PolarHBondContact O-N 3.14Å; V240-W266 HydrophobicContact CG1-CH2 4.47Å |
| 241 | S | 90.3 | Very high | 88.1 | Confident | 24 Ų | 24 | 49.2 Ų | 49.2 | 17% | 0.168 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 142.9 | 170.5 | 70.2 | 0 | 0 | 0 | 0 | 112 | M252 V275 K279 | S241-M252 CarbonylContact C-O 3.58Å; S241-M252 WeakPolarHBondContact CA-O 3.31Å; S241-V275 VanDerWaalsContact OG-CG1 3.3Å; S241-V275 WeakPolarHBondContact OG-CG1 3.16Å; S241-K279 WeakPolarHBondContact OG-CE 3.38Å; S241-K279 PolarHBondContact OG-NZ 3.15Å |
| 242 | E | 89.1 | Confident | 88 | Confident | 55 Ų | 55 | 48.9 Ų | 48.9 | 26% | 0.257 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 142.7 | 175.7 | -70.4 | -159.6 | 165.7 | 0 | 0 | 110.5 | L164 H251 M252 | L164-E242 VanDerWaalsContact CB-OE2 3.3Å; L164-E242 WeakPolarHBondContact CB-OE2 3.01Å; L164-E242 HydrophobicContact CD1-CG 4.32Å; L164-E242 WeakPolarHBondContact CD1-OE1 3.45Å; L164-E242 WeakPolarHBondContact CD1-OE2 3.19Å; L164-E242 PolarHBondContact N-OE2 3.13Å; E242-H251 CarbonylContact O-C 3.54Å; E242-H251 WeakPolarHBondContact O-CA 3.05Å; E242-H251 WeakPolarHBondContact O-CB 3.37Å; E242-M252 HydrophobicContact CB-CG 4.04Å; E242-M252 PolarHBondContact N-O 3.15Å; E242-M252 WeakPolarHBondContact O-CG 3.47Å; E242-M252 PolarHBondContact O-N 3.34Å |
| 243 | P | 87.9 | Confident | 88.1 | Confident | 68 Ų | 68 | 45.7 Ų | 45.7 | 44% | 0.442 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 149 | 174.2 | 29 | -34 | 0 | 0 | 0 | 110.9 | ||
| 244 | I | 88.4 | Confident | 88.4 | Confident | 4 Ų | 4 | 45.6 Ų | 45.6 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 129.5 | 177.5 | -63 | 173.3 | 0 | 0 | 0 | 108.9 | L174 G246 H247 Y250 M252 W269 | L174-I244 HydrophobicContact CD1-CG2 4.08Å; L174-I244 HydrophobicContact CD2-CD1 3.76Å; L174-I244 HydrophobicContact CD2-CG1 4.11Å; L174-I244 HydrophobicContact CD2-CG2 3.86Å; I244-G246 PolarHBondContact O-N 3.22Å; I244-H247 HydrophobicContact CB-CB 4.12Å; I244-H247 HydrophobicContact CG2-CB 4.06Å; I244-H247 CarbonylContact O-C 3.12Å; I244-H247 WeakPolarHBondContact O-CA 3.25Å; I244-H247 PolarHBondContact O-N 3.08Å; I244-Y250 PolarHBondContact N-O 3.26Å; I244-M252 HydrophobicContact CG1-CE 4.37Å; I244-W269 HydrophobicContact CD1-CD2 3.91Å; I244-W269 HydrophobicContact CD1-CE3 3.82Å; I244-W269 HydrophobicContact CD1-CG 4.36Å; I244-W269 HydrophobicContact CD1-CZ3 4.23Å; I244-W269 HydrophobicContact CG2-CH2 4.43Å |
| 245 | E | 81.2 | Confident | 88.7 | Confident | 90 Ų | 90 | 42.1 Ų | 42.1 | 42% | 0.421 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 121.3 | 178.6 | -171.2 | 172.6 | -149.6 | 0 | 0 | 110.3 | R166 R171 H247 | R166-E245 IonicContact CZ-OE1 3.44Å; R166-E245 IonicContact NE-OE1 3.92Å; R166-E245 PolarHBondContact NE-OE1 2.82Å; R166-E245 IonicContact NE-OE2 3.29Å; R166-E245 IonicContact NH2-OE1 3.6Å; R166-E245 PolarHBondContact NH2-OE1 3.09Å; R171-E245 IonicContact CZ-OE2 3.81Å; R171-E245 IonicContact NH1-OE2 2.7Å; R171-E245 PolarHBondContact NH1-OE2 2.9Å; R171-E245 IonicContact NH2-OE2 3.06Å; E245-H247 VanDerWaalsContact C-N 3.3Å |
| 246 | G | 82.3 | Confident | 88.9 | Confident | 68 Ų | 68 | 40.5 Ų | 40.5 | 70% | 0.701 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 85.1 | -5.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | I244 | I244-G246 PolarHBondContact O-N 3.22Š|
| 247 | H | 84.6 | Confident | 88.8 | Confident | 71 Ų | 71 | 42.3 Ų | 42.3 | 33% | 0.329 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 68.1 | 178.9 | -66.7 | -74.4 | 0 | 0 | 0 | 110.5 | I244 E245 D249 Y250 W269 | I244-H247 HydrophobicContact CB-CB 4.12Å; I244-H247 HydrophobicContact CG2-CB 4.06Å; I244-H247 CarbonylContact O-C 3.12Å; I244-H247 WeakPolarHBondContact O-CA 3.25Å; I244-H247 PolarHBondContact O-N 3.08Å; E245-H247 VanDerWaalsContact C-N 3.3Å; H247-D249 PolarHBondContact O-N 2.94Å; H247-D249 VanDerWaalsContact O-N 3.09Å; H247-Y250 HydrophobicContact CB-CD2 4.45Å; H247-Y250 PolarHBondContact O-N 3.37Å; H247-W269 HydrophobicContact CB-CH2 4.47Å; H247-W269 HydrophobicContact CB-CZ3 3.86Å; H247-W269 AromaticContact CD2-CH2 3.42Å; H247-W269 VanDerWaalsContact CD2-CH2 3.42Å; H247-W269 WeakPolarHBondContact CD2-CH2 3.17Å; H247-W269 AromaticContact CD2-CZ3 3.64Å; H247-W269 AromaticContact CG-CH2 3.88Å; H247-W269 AromaticContact CG-CZ3 3.58Å; H247-W269 AromaticContact NE2-CH2 3.72Å |
| 248 | D | 83.1 | Confident | 88.8 | Confident | 102 Ų | 102 | 36.1 Ų | 36.1 | 55% | 0.545 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | -16.4 | -178.5 | -54.7 | -23.5 | 0 | 0 | 0 | 113.5 | ||
| 249 | D | 87.3 | Confident | 88.5 | Confident | 42 Ų | 42 | 37.8 Ų | 37.8 | 23% | 0.225 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | -9.5 | 174.5 | 60.4 | -32.3 | 0 | 0 | 0 | 112.6 | A185 H247 A272 | A185-D249 HydrophobicContact CB-CB 3.75Å; A185-D249 WeakPolarHBondContact CB-O 3.46Å; H247-D249 PolarHBondContact O-N 2.94Å; H247-D249 VanDerWaalsContact O-N 3.09Å; D249-A272 VanDerWaalsContact O-CB 3.27Å; D249-A272 WeakPolarHBondContact O-CB 3.24Å; D249-A272 PolarHBondContact O-N 3.38Å |
| 250 | Y | 90.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 147.9 | 177.9 | -66.5 | -82.9 | 0 | 0 | 0 | 112.7 | K178 I182 M183 A185 I244 H247 W269 V270 P271 | K178-Y250 HydrophobicContact CD-CE2 4.17Å; K178-Y250 VanDerWaalsContact CE-CE2 3.49Å; K178-Y250 VanDerWaalsContact CE-CZ 3.48Å; K178-Y250 WeakPolarHBondContact CE-OH 3.14Å; K178-Y250 VanDerWaalsContact NZ-CE2 3.33Å; K178-Y250 PolarHBondContact NZ-OH 3.08Å; I182-Y250 HydrophobicContact CG1-CD1 4.49Å; I182-Y250 HydrophobicContact CG1-CE1 3.77Å; I182-Y250 HydrophobicContact CG2-CE1 4.22Å; M183-Y250 PolarHBondContact O-OH 3.38Å; M183-Y250 VanDerWaalsContact O-OH 3.11Å; A185-Y250 HydrophobicContact CB-CD1 4.32Å; A185-Y250 HydrophobicContact CB-CD2 4.38Å; A185-Y250 HydrophobicContact CB-CE1 3.85Å; A185-Y250 HydrophobicContact CB-CE2 3.89Å; A185-Y250 PolarHBondContact N-OH 2.88Å; I244-Y250 PolarHBondContact N-O 3.26Å; H247-Y250 HydrophobicContact CB-CD2 4.45Å; H247-Y250 PolarHBondContact O-N 3.37Å; Y250-W269 HydrophobicContact CD1-CB 4.39Å; Y250-W269 HydrophobicContact CD1-CE3 4.41Å; Y250-W269 WeakPolarHBondContact CD1-O 3.31Å; Y250-W269 HydrophobicContact CD2-CE3 4.09Å; Y250-W269 HydrophobicContact CD2-CZ3 4.33Å; Y250-W269 AromaticContact CG-CE3 3.86Å; Y250-W269 HydrophobicContact CG-CE3 3.86Å; Y250-W269 HydrophobicContact CG-CZ3 4.48Å; Y250-V270 CarbonylContact C-O 3.59Å; Y250-V270 WeakPolarHBondContact CA-O 3.26Å; Y250-P271 HydrophobicContact CE1-CB 4.37Å; Y250-P271 HydrophobicContact CE1-CG 4.2Å |
| 251 | H | 91.8 | Very high | 87.8 | Confident | 36 Ų | 36 | 45.9 Ų | 45.9 | 17% | 0.167 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 152.7 | 176.9 | -74 | -118.9 | 0 | 0 | 0 | 110.9 | E242 W269 V270 V275 | E242-H251 CarbonylContact O-C 3.54Å; E242-H251 WeakPolarHBondContact O-CA 3.05Å; E242-H251 WeakPolarHBondContact O-CB 3.37Å; H251-W269 PolarHBondContact O-N 3.31Å; H251-V270 PolarHBondContact N-O 2.79Å; H251-V270 WeakPolarHBondContact O-CB 3.16Å; H251-V270 PolarHBondContact O-N 2.89Å; H251-V275 HydrophobicContact CB-CG2 3.83Å |
| 252 | M | 91.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 144.9 | 153 | 58.5 | -179.1 | 67.3 | 0 | 0 | 109.4 | L164 C165 H170 L174 S241 E242 I244 W266 V267 Y268 | L164-M252 HydrophobicContact CB-SD 3.86Å; C165-M252 HydrophobicContact CB-CE 3.56Å; H170-M252 HydrophobicContact CB-CE 4.28Å; H170-M252 HydrophobicContact CB-SD 4.46Å; L174-M252 HydrophobicContact CD1-CE 3.62Å; L174-M252 HydrophobicContact CD2-CE 4.46Å; L174-M252 HydrophobicContact CG-CE 4.36Å; S241-M252 CarbonylContact C-O 3.58Å; S241-M252 WeakPolarHBondContact CA-O 3.31Å; E242-M252 HydrophobicContact CB-CG 4.04Å; E242-M252 PolarHBondContact N-O 3.15Å; E242-M252 WeakPolarHBondContact O-CG 3.47Å; E242-M252 PolarHBondContact O-N 3.34Å; I244-M252 HydrophobicContact CG1-CE 4.37Å; M252-W266 HydrophobicContact CB-CZ3 4.46Å; M252-W266 HydrophobicContact CG-CZ3 4.31Å; M252-W266 HydrophobicContact SD-CZ3 4.36Å; M252-V267 WeakPolarHBondContact CA-O 3.5Å; M252-Y268 HydrophobicContact CB-CD1 3.93Å; M252-Y268 HydrophobicContact CB-CE1 4.39Å; M252-Y268 HydrophobicContact CE-CD1 4.3Å; M252-Y268 HydrophobicContact CE-CE1 4.37Å |
| 253 | M | 93.6 | Very high | 87.2 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 142.8 | -176.2 | -171.7 | 172 | 50.9 | 0 | 0 | 110.3 | L211 V239 V240 F255 V267 V270 I278 | L211-M253 HydrophobicContact CD1-CE 4.38Å; V239-M253 HydrophobicContact CG1-CG 3.67Å; V239-M253 HydrophobicContact CG1-SD 3.75Å; V240-M253 CarbonylContact O-C 3.53Å; V240-M253 WeakPolarHBondContact O-CA 3.44Å; V240-M253 WeakPolarHBondContact O-CG 3.32Å; M253-F255 HydrophobicContact CE-CE1 4.29Å; M253-F255 HydrophobicContact CE-CE2 3.88Å; M253-F255 HydrophobicContact CE-CZ 3.43Å; M253-F255 VanDerWaalsContact CE-CZ 3.43Å; M253-F255 HydrophobicContact SD-CE1 4.41Å; M253-F255 HydrophobicContact SD-CZ 4.1Å; M253-V267 PolarHBondContact N-O 3.33Å; M253-V267 PolarHBondContact O-N 3.01Å; M253-V267 VanDerWaalsContact O-O 3.08Å; M253-V270 HydrophobicContact CB-CG2 3.96Å; M253-V270 HydrophobicContact CE-CB 4.35Å; M253-V270 HydrophobicContact CE-CG1 3.8Å; M253-V270 HydrophobicContact CE-CG2 3.76Å; M253-I278 HydrophobicContact CE-CD1 3.59Å; M253-I278 HydrophobicContact CE-CG2 3.95Å; M253-I278 HydrophobicContact SD-CB 4.26Å; M253-I278 HydrophobicContact SD-CD1 4.25Å; M253-I278 HydrophobicContact SD-CG2 3.75Å |
| 254 | A | 93.3 | Very high | 87.4 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.008 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 132.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | V239 V240 Q264 Y265 W266 | V239-A254 VanDerWaalsContact CA-O 3.31Å; V239-A254 WeakPolarHBondContact CA-O 3.12Å; V240-A254 HydrophobicContact CB-CB 4.35Å; V240-A254 PolarHBondContact N-O 2.98Å; V240-A254 PolarHBondContact O-N 3.14Å; A254-Q264 HydrophobicContact CB-CB 4.09Å; A254-Q264 HydrophobicContact CB-CG 4.26Å; A254-Y265 VanDerWaalsContact CA-O 3.3Å; A254-Y265 WeakPolarHBondContact CA-O 3.5Å; A254-W266 HydrophobicContact CB-CD2 3.7Å; A254-W266 HydrophobicContact CB-CE3 3.72Å; A254-W266 HydrophobicContact CB-CG 4.38Å; A254-W266 HydrophobicContact CB-CH2 3.52Å; A254-W266 HydrophobicContact CB-CZ2 3.59Å; A254-W266 HydrophobicContact CB-CZ3 3.64Å |
| 255 | F | 93.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 122.5 | 170 | -58 | -80.1 | 0 | 0 | 0 | 109.7 | L211 L220 I236 V239 M253 L257 Q264 Y265 V267 I278 V282 | L211-F255 HydrophobicContact CD1-CE2 3.97Å; L211-F255 HydrophobicContact CD1-CZ 4.06Å; L211-F255 HydrophobicContact CD2-CE2 4.38Å; L220-F255 HydrophobicContact CD2-CD1 3.9Å; L220-F255 HydrophobicContact CD2-CD2 4.33Å; L220-F255 HydrophobicContact CD2-CE1 3.73Å; L220-F255 HydrophobicContact CD2-CE2 4.17Å; L220-F255 HydrophobicContact CD2-CG 4.19Å; L220-F255 HydrophobicContact CD2-CZ 3.86Å; I236-F255 HydrophobicContact CD1-CD1 4.21Å; I236-F255 HydrophobicContact CG2-CB 4.29Å; I236-F255 HydrophobicContact CG2-CD1 4.36Å; V239-F255 HydrophobicContact CG1-CD1 4.36Å; V239-F255 HydrophobicContact CG1-CE1 4.29Å; V239-F255 HydrophobicContact CG2-CD1 3.9Å; V239-F255 HydrophobicContact CG2-CE1 4.26Å; M253-F255 HydrophobicContact CE-CE1 4.29Å; M253-F255 HydrophobicContact CE-CE2 3.88Å; M253-F255 HydrophobicContact CE-CZ 3.43Å; M253-F255 VanDerWaalsContact CE-CZ 3.43Å; M253-F255 HydrophobicContact SD-CE1 4.41Å; M253-F255 HydrophobicContact SD-CZ 4.1Å; F255-L257 HydrophobicContact CB-CD2 3.89Å; F255-L257 HydrophobicContact CB-CG 4.46Å; F255-L257 PolarHBondContact O-N 3.11Å; F255-L257 VanDerWaalsContact O-N 3.12Å; F255-Q264 WeakPolarHBondContact O-CA 3.11Å; F255-Y265 PolarHBondContact N-O 3.31Å; F255-Y265 PolarHBondContact O-N 2.85Å; F255-V267 HydrophobicContact CD2-CG2 4.26Å; F255-V267 HydrophobicContact CE2-CG2 3.93Å; F255-I278 HydrophobicContact CE1-CG2 3.74Å; F255-I278 HydrophobicContact CZ-CG2 3.9Å; F255-V282 HydrophobicContact CE1-CG2 4.3Å |
| 256 | Q | 91.6 | Very high | 88.2 | Confident | 15 Ų | 15 | 45.7 Ų | 45.7 | 7% | 0.07 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 89.7 | 178.2 | -175.9 | 60.1 | 64 | 0 | 0 | 110.3 | K237 N238 G258 T260 | K237-Q256 HydrophobicContact CB-CG 4.14Å; K237-Q256 PolarHBondContact N-O 3.39Å; K237-Q256 VanDerWaalsContact N-O 3.17Å; N238-Q256 HydrophobicContact CB-CB 3.84Å; N238-Q256 HydrophobicContact CB-CG 4.3Å; N238-Q256 VanDerWaalsContact O-CB 3.23Å; N238-Q256 WeakPolarHBondContact O-CB 3.45Å; N238-Q256 PolarHBondContact O-N 3.11Å; Q256-G258 PolarHBondContact NE2-O 3.23Å; Q256-T260 VanDerWaalsContact NE2-C 3.35Å; Q256-T260 PolarHBondContact NE2-O 3.38Å |
| 257 | L | 89.6 | Confident | 88.8 | Confident | 47 Ų | 47 | 42.5 Ų | 42.5 | 25% | 0.246 | 24% | 0.242 | C | C | . | . | trans | -83.3 | -10.9 | -175 | -55.5 | -171.9 | 0 | 0 | 0 | 114.1 | I222 V231 I236 F255 S263 Y265 | I222-L257 HydrophobicContact CD1-CD1 4.5Å; V231-L257 HydrophobicContact CG1-CD2 3.64Å; V231-L257 HydrophobicContact CG2-CD1 4.29Å; V231-L257 HydrophobicContact CG2-CD2 4.2Å; I236-L257 HydrophobicContact CG1-CD2 4.01Å; F255-L257 HydrophobicContact CB-CD2 3.89Å; F255-L257 HydrophobicContact CB-CG 4.46Å; F255-L257 PolarHBondContact O-N 3.11Å; F255-L257 VanDerWaalsContact O-N 3.12Å; L257-S263 PolarHBondContact N-O 2.63Å; L257-Y265 HydrophobicContact CD1-CD2 4.44Å; L257-Y265 HydrophobicContact CD1-CG 4.39Å | ||
| 258 | G | 87.1 | Confident | 89.1 | Confident | 11 Ų | 11 | 39.2 Ų | 39.2 | 11% | 0.113 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -136.2 | -175.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q256 T260 | Q256-G258 PolarHBondContact NE2-O 3.23Å; G258-T260 VanDerWaalsContact C-N 3.31Å; G258-T260 PolarHBondContact O-N 3.42Å |
| 259 | P | 80.7 | Confident | 89.6 | Confident | 110 Ų | 110 | 34.6 Ų | 34.6 | 71% | 0.714 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -73.7 | -19.5 | -178.7 | 28.9 | -33.5 | 0 | 0 | 0 | 114.1 | ||
| 260 | T | 84.8 | Confident | 89.8 | Confident | 78 Ų | 78 | 32.6 Ų | 32.6 | 48% | 0.479 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -118.1 | 149.9 | -173.2 | 55.7 | 0 | 0 | 0 | 0 | 112.1 | Q256 G258 A262 S263 | Q256-T260 VanDerWaalsContact NE2-C 3.35Å; Q256-T260 PolarHBondContact NE2-O 3.38Å; G258-T260 VanDerWaalsContact C-N 3.31Å; G258-T260 PolarHBondContact O-N 3.42Å; T260-A262 PolarHBondContact O-N 3.44Å; T260-S263 VanDerWaalsContact O-CB 3.31Å; T260-S263 WeakPolarHBondContact O-CB 3.45Å; T260-S263 PolarHBondContact O-N 3.02Å; T260-S263 PolarHBondContact O-OG 3.3Å; T260-S263 PolarHBondContact OG1-OG 3.43Å |
| 261 | E | 79.9 | Confident | 89.9 | Confident | 141 Ų | 141 | 32.7 Ų | 32.7 | 66% | 0.659 | 19% | 0.192 | S | C | * | . | G | 310 helix | trans | -54.2 | -28.2 | 177.4 | -65.9 | 178 | -179.7 | 0 | 0 | 113.8 | S263 Q264 | E261-S263 PolarHBondContact O-N 3.42Å; E261-S263 VanDerWaalsContact O-N 3.15Å; E261-Q264 VanDerWaalsContact O-CB 3.27Å; E261-Q264 WeakPolarHBondContact O-CB 3.12Å; E261-Q264 WeakPolarHBondContact O-CG 3.49Å; E261-Q264 PolarHBondContact O-N 2.77Å; E261-Q264 VanDerWaalsContact O-N 3.1Å |
| 262 | A | 80.7 | Confident | 89.8 | Confident | 99 Ų | 99 | 32.1 Ų | 32.1 | 82% | 0.818 | 19% | 0.193 | S | C | * | . | G | 310 helix | trans | -63.1 | -18.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114 | T260 Q264 | T260-A262 PolarHBondContact O-N 3.44Å; A262-Q264 VanDerWaalsContact C-N 3.25Å; A262-Q264 PolarHBondContact O-N 2.98Å |
| 263 | S | 87.9 | Confident | 89.7 | Confident | 45 Ų | 45 | 32.3 Ų | 32.3 | 32% | 0.315 | 19% | 0.194 | S | C | . | . | G | 310 helix | trans | -88.6 | 12.6 | 177 | -47.5 | 0 | 0 | 0 | 0 | 112.9 | L257 T260 E261 Y265 | L257-S263 PolarHBondContact N-O 2.63Å; T260-S263 VanDerWaalsContact O-CB 3.31Å; T260-S263 WeakPolarHBondContact O-CB 3.45Å; T260-S263 PolarHBondContact O-N 3.02Å; T260-S263 PolarHBondContact O-OG 3.3Å; T260-S263 PolarHBondContact OG1-OG 3.43Å; E261-S263 PolarHBondContact O-N 3.42Å; E261-S263 VanDerWaalsContact O-N 3.15Å; S263-Y265 PolarHBondContact O-N 2.79Å |
| 264 | Q | 91.4 | Very high | 89.6 | Confident | 37 Ų | 37 | 32.6 Ų | 32.6 | 17% | 0.173 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 126.4 | 175.1 | -76.4 | 172.3 | -1.9 | 0 | 0 | 111.2 | A254 F255 E261 A262 W266 | A254-Q264 HydrophobicContact CB-CB 4.09Å; A254-Q264 HydrophobicContact CB-CG 4.26Å; F255-Q264 WeakPolarHBondContact O-CA 3.11Å; E261-Q264 VanDerWaalsContact O-CB 3.27Å; E261-Q264 WeakPolarHBondContact O-CB 3.12Å; E261-Q264 WeakPolarHBondContact O-CG 3.49Å; E261-Q264 PolarHBondContact O-N 2.77Å; E261-Q264 VanDerWaalsContact O-N 3.1Å; A262-Q264 VanDerWaalsContact C-N 3.25Å; A262-Q264 PolarHBondContact O-N 2.98Å; Q264-W266 VanDerWaalsContact OE1-CZ2 3.29Å |
| 265 | Y | 93.1 | Very high | 89.5 | Confident | 37 Ų | 37 | 32.7 Ų | 32.7 | 15% | 0.145 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 108.1 | 168.6 | -167.5 | -79.6 | 0 | 0 | 0 | 109.6 | V209 I222 A254 F255 L257 S263 V267 | V209-Y265 HydrophobicContact CG2-CE1 4.39Å; I222-Y265 HydrophobicContact CD1-CD1 4.03Å; I222-Y265 HydrophobicContact CD1-CD2 4.49Å; I222-Y265 HydrophobicContact CD1-CE1 4.35Å; I222-Y265 HydrophobicContact CD1-CG 4.11Å; I222-Y265 HydrophobicContact CG2-CD1 4.28Å; I222-Y265 HydrophobicContact CG2-CE1 3.56Å; I222-Y265 HydrophobicContact CG2-CE2 4.16Å; I222-Y265 VanDerWaalsContact CG2-CZ 3.48Å; I222-Y265 WeakPolarHBondContact CG2-OH 3.43Å; A254-Y265 VanDerWaalsContact CA-O 3.3Å; A254-Y265 WeakPolarHBondContact CA-O 3.5Å; F255-Y265 PolarHBondContact N-O 3.31Å; F255-Y265 PolarHBondContact O-N 2.85Å; L257-Y265 HydrophobicContact CD1-CD2 4.44Å; L257-Y265 HydrophobicContact CD1-CG 4.39Å; S263-Y265 PolarHBondContact O-N 2.79Å; Y265-V267 HydrophobicContact CD1-CG2 3.81Å; Y265-V267 HydrophobicContact CE1-CG2 3.8Å |
| 266 | W | 93.1 | Very high | 89.2 | Confident | 20 Ų | 20 | 35.5 Ų | 35.5 | 8% | 0.076 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 130.5 | -179.9 | -74.2 | 93.9 | 0 | 0 | 0 | 112.6 | L164 H170 N203 V240 M252 A254 Q264 Y268 | L164-W266 HydrophobicContact CD2-CH2 3.12Å; L164-W266 HydrophobicContact CD2-CZ2 3.49Å; L164-W266 VanDerWaalsContact CD2-CZ2 3.49Å; L164-W266 HydrophobicContact CD2-CZ3 4.02Å; H170-W266 AromaticContact CE1-CD2 3.44Å; H170-W266 VanDerWaalsContact CE1-CD2 3.44Å; H170-W266 AromaticContact CE1-CE2 3.42Å; H170-W266 VanDerWaalsContact CE1-CE2 3.42Å; H170-W266 AromaticContact CE1-CE3 3.85Å; H170-W266 AromaticContact CE1-CG 3.9Å; H170-W266 AromaticContact CE1-CZ2 3.88Å; H170-W266 AromaticContact CE1-NE1 3.75Å; H170-W266 AromaticContact NE2-CE2 4Å; N203-W266 WeakPolarHBondContact CA-O 3.44Å; V240-W266 HydrophobicContact CG1-CH2 4.47Å; M252-W266 HydrophobicContact CB-CZ3 4.46Å; M252-W266 HydrophobicContact CG-CZ3 4.31Å; M252-W266 HydrophobicContact SD-CZ3 4.36Å; A254-W266 HydrophobicContact CB-CD2 3.7Å; A254-W266 HydrophobicContact CB-CE3 3.72Å; A254-W266 HydrophobicContact CB-CG 4.38Å; A254-W266 HydrophobicContact CB-CH2 3.52Å; A254-W266 HydrophobicContact CB-CZ2 3.59Å; A254-W266 HydrophobicContact CB-CZ3 3.64Å; Q264-W266 VanDerWaalsContact OE1-CZ2 3.29Å; W266-Y268 HydrophobicContact CB-CE2 3.85Å |
| 267 | V | 94.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 132.1 | 171.7 | -174.1 | 0 | 0 | 0 | 0 | 108.7 | M201 F202 V209 L211 M252 M253 F255 Y265 V270 | M201-V267 HydrophobicContact CB-CG1 3.67Å; M201-V267 HydrophobicContact CE-CG1 4.47Å; M201-V267 HydrophobicContact CG-CG1 4.05Å; M201-V267 HydrophobicContact SD-CG1 3.56Å; M201-V267 VanDerWaalsContact SD-CG1 3.56Å; F202-V267 CarbonylContact O-C 3.53Å; F202-V267 VanDerWaalsContact O-CA 3.31Å; F202-V267 WeakPolarHBondContact O-CA 3.01Å; V209-V267 HydrophobicContact CG1-CG1 3.9Å; L211-V267 HydrophobicContact CD1-CG1 4.33Å; L211-V267 HydrophobicContact CD1-CG2 4.43Å; L211-V267 HydrophobicContact CD2-CG2 4.4Å; M252-V267 WeakPolarHBondContact CA-O 3.5Å; M253-V267 PolarHBondContact N-O 3.33Å; M253-V267 PolarHBondContact O-N 3.01Å; M253-V267 VanDerWaalsContact O-O 3.08Å; F255-V267 HydrophobicContact CD2-CG2 4.26Å; F255-V267 HydrophobicContact CE2-CG2 3.93Å; Y265-V267 HydrophobicContact CD1-CG2 3.81Å; Y265-V267 HydrophobicContact CE1-CG2 3.8Å; V267-V270 HydrophobicContact CB-CG2 4.21Å; V267-V270 HydrophobicContact CG1-CG2 3.77Å |
| 268 | Y | 92.6 | Very high | 89.2 | Confident | 3 Ų | 3 | 33.2 Ų | 33.2 | 1% | 0.012 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 157.3 | -179.5 | -54.3 | -97.1 | 0 | 0 | 0 | 110.4 | H170 V173 L174 M201 F202 M252 W266 V270 | H170-Y268 HydrophobicContact CB-CE1 3.96Å; H170-Y268 AromaticContact ND1-CE1 3.52Å; H170-Y268 AromaticContact ND1-CZ 3.51Å; H170-Y268 PolarHBondContact ND1-OH 3.11Å; V173-Y268 HydrophobicContact CB-CD2 4.31Å; V173-Y268 HydrophobicContact CB-CE1 4.45Å; V173-Y268 HydrophobicContact CB-CE2 4.2Å; V173-Y268 HydrophobicContact CB-CG 4.49Å; V173-Y268 HydrophobicContact CG1-CD2 3.72Å; V173-Y268 HydrophobicContact CG1-CE2 4.04Å; V173-Y268 HydrophobicContact CG1-CG 3.98Å; V173-Y268 HydrophobicContact CG2-CE2 4.16Å; L174-Y268 HydrophobicContact CD2-CD1 4.15Å; L174-Y268 HydrophobicContact CG-CD1 4.49Å; M201-Y268 WeakPolarHBondContact CB-O 3.34Å; F202-Y268 HydrophobicContact CB-CD2 4.48Å; F202-Y268 PolarHBondContact N-O 2.8Å; F202-Y268 WeakPolarHBondContact O-CD2 3.47Å; F202-Y268 PolarHBondContact O-N 2.78Å; M252-Y268 HydrophobicContact CB-CD1 3.93Å; M252-Y268 HydrophobicContact CB-CE1 4.39Å; M252-Y268 HydrophobicContact CE-CD1 4.3Å; M252-Y268 HydrophobicContact CE-CE1 4.37Å; W266-Y268 HydrophobicContact CB-CE2 3.85Å; Y268-V270 VanDerWaalsContact C-N 3.35Å |
| 269 | W | 92.6 | Very high | 89.4 | Confident | 4 Ų | 4 | 35.5 Ų | 35.5 | 2% | 0.015 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 64.2 | 36.8 | -179.8 | -55.9 | 104.4 | 0 | 0 | 0 | 113.4 | L174 G177 K178 P179 I182 F202 I244 H247 Y250 H251 P271 | L174-W269 HydrophobicContact CD2-CZ2 4.1Å; G177-W269 VanDerWaalsContact C-CZ2 3.47Å; G177-W269 PolarHBondContact O-NE1 3.45Å; K178-W269 HydrophobicContact CB-CE3 4.24Å; K178-W269 HydrophobicContact CB-CH2 3.93Å; K178-W269 HydrophobicContact CB-CZ2 4.28Å; K178-W269 HydrophobicContact CB-CZ3 3.91Å; K178-W269 HydrophobicContact CG-CE3 4.14Å; K178-W269 HydrophobicContact CG-CZ3 4.17Å; P179-W269 VanDerWaalsContact CD-CD1 3.42Å; P179-W269 VanDerWaalsContact CD-CG 3.42Å; P179-W269 HydrophobicContact CG-CB 4.13Å; P179-W269 HydrophobicContact CG-CG 3.96Å; I182-W269 HydrophobicContact CD1-CB 4.15Å; I182-W269 WeakPolarHBondContact CD1-O 3.33Å; I182-W269 HydrophobicContact CG1-CB 4.28Å; I182-W269 WeakPolarHBondContact CG1-O 3.49Å; F202-W269 AromaticContact CD2-CD1 3.73Å; F202-W269 AromaticContact CD2-NE1 3.88Å; I244-W269 HydrophobicContact CD1-CD2 3.91Å; I244-W269 HydrophobicContact CD1-CE3 3.82Å; I244-W269 HydrophobicContact CD1-CG 4.36Å; I244-W269 HydrophobicContact CD1-CZ3 4.23Å; I244-W269 HydrophobicContact CG2-CH2 4.43Å; H247-W269 HydrophobicContact CB-CH2 4.47Å; H247-W269 HydrophobicContact CB-CZ3 3.86Å; H247-W269 AromaticContact CD2-CH2 3.42Å; H247-W269 VanDerWaalsContact CD2-CH2 3.42Å; H247-W269 WeakPolarHBondContact CD2-CH2 3.17Å; H247-W269 AromaticContact CD2-CZ3 3.64Å; H247-W269 AromaticContact CG-CH2 3.88Å; H247-W269 AromaticContact CG-CZ3 3.58Å; H247-W269 AromaticContact NE2-CH2 3.72Å; Y250-W269 HydrophobicContact CD1-CB 4.39Å; Y250-W269 HydrophobicContact CD1-CE3 4.41Å; Y250-W269 WeakPolarHBondContact CD1-O 3.31Å; Y250-W269 HydrophobicContact CD2-CE3 4.09Å; Y250-W269 HydrophobicContact CD2-CZ3 4.33Å; Y250-W269 AromaticContact CG-CE3 3.86Å; Y250-W269 HydrophobicContact CG-CE3 3.86Å; Y250-W269 HydrophobicContact CG-CZ3 4.48Å; H251-W269 PolarHBondContact O-N 3.31Å; W269-P271 WeakPolarHBondContact O-CD 3.47Å |
| 270 | V | 92.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 124.4 | 175.2 | -177.3 | 0 | 0 | 0 | 0 | 108.1 | M201 Y250 H251 M253 V267 Y268 A272 V275 I278 | M201-V270 HydrophobicContact SD-CB 4.42Å; M201-V270 HydrophobicContact SD-CG2 3.86Å; Y250-V270 CarbonylContact C-O 3.59Å; Y250-V270 WeakPolarHBondContact CA-O 3.26Å; H251-V270 PolarHBondContact N-O 2.79Å; H251-V270 WeakPolarHBondContact O-CB 3.16Å; H251-V270 PolarHBondContact O-N 2.89Å; M253-V270 HydrophobicContact CB-CG2 3.96Å; M253-V270 HydrophobicContact CE-CB 4.35Å; M253-V270 HydrophobicContact CE-CG1 3.8Å; M253-V270 HydrophobicContact CE-CG2 3.76Å; V267-V270 HydrophobicContact CB-CG2 4.21Å; V267-V270 HydrophobicContact CG1-CG2 3.77Å; Y268-V270 VanDerWaalsContact C-N 3.35Å; V270-A272 PolarHBondContact O-N 3.25Å; V270-V275 HydrophobicContact CG1-CG2 4.04Å; V270-I278 HydrophobicContact CG1-CD1 3.97Å |
| 271 | P | 91.8 | Very high | 89.9 | Confident | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.013 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 129.6 | 178.2 | -20.3 | 30.8 | 0 | 0 | 0 | 111.2 | M183 A185 Y250 W269 Q273 F274 | M183-P271 HydrophobicContact CB-CG 4.19Å; A185-P271 HydrophobicContact CB-CB 4.08Å; Y250-P271 HydrophobicContact CE1-CB 4.37Å; Y250-P271 HydrophobicContact CE1-CG 4.2Å; W269-P271 WeakPolarHBondContact O-CD 3.47Å; P271-Q273 PolarHBondContact O-N 3.22Å; P271-Q273 VanDerWaalsContact O-N 3.11Å; P271-F274 HydrophobicContact CB-CD2 3.94Å; P271-F274 HydrophobicContact CB-CE2 4.33Å; P271-F274 HydrophobicContact CG-CD2 4.15Å; P271-F274 HydrophobicContact CG-CE2 4.46Å; P271-F274 PolarHBondContact O-N 2.78Å; P271-F274 VanDerWaalsContact O-N 3.13Å |
| 272 | A | 89.6 | Confident | 90.2 | Very high | 24 Ų | 24 | 25.8 Ų | 25.8 | 20% | 0.198 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -55 | -34.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | D249 V270 F274 V275 | D249-A272 VanDerWaalsContact O-CB 3.27Å; D249-A272 WeakPolarHBondContact O-CB 3.24Å; D249-A272 PolarHBondContact O-N 3.38Å; V270-A272 PolarHBondContact O-N 3.25Å; A272-F274 PolarHBondContact O-N 2.79Å; A272-F274 VanDerWaalsContact O-N 3.15Å; A272-V275 WeakPolarHBondContact O-CB 3.43Å; A272-V275 PolarHBondContact O-N 2.79Å; A272-V275 VanDerWaalsContact O-N 3.15Å |
| 273 | Q | 90.4 | Very high | 90.5 | Very high | 4 Ų | 4 | 25 Ų | 25 | 2% | 0.019 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.8 | -23.1 | -176.6 | 72.8 | -86.7 | 24.2 | 0 | 0 | 114.6 | P184 A185 I186 A189 E191 P271 | P184-Q273 PolarHBondContact O-NE2 2.9Å; A185-Q273 VanDerWaalsContact CA-OE1 3.28Å; I186-Q273 VanDerWaalsContact N-OE1 3.12Å; A189-Q273 HydrophobicContact CB-CB 4.2Å; A189-Q273 WeakPolarHBondContact O-CA 3.44Å; A189-Q273 VanDerWaalsContact O-CB 3.25Å; A189-Q273 WeakPolarHBondContact O-CB 3.19Å; E191-Q273 HydrophobicContact CB-CB 4.46Å; E191-Q273 HydrophobicContact CB-CG 4.27Å; E191-Q273 PolarHBondContact N-O 2.81Å; P271-Q273 PolarHBondContact O-N 3.22Å; P271-Q273 VanDerWaalsContact O-N 3.11Å |
| 274 | F | 91.3 | Very high | 89.9 | Confident | 6 Ų | 6 | 24.8 Ų | 24.8 | 3% | 0.026 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -97.2 | -14.2 | 179.2 | -59.6 | -55.8 | 0 | 0 | 0 | 113 | M183 E191 R192 L193 P194 L198 P271 A272 D276 A277 I278 | M183-F274 HydrophobicContact SD-CE2 3.57Å; M183-F274 VanDerWaalsContact SD-CE2 3.57Å; M183-F274 HydrophobicContact SD-CZ 4.04Å; E191-F274 HydrophobicContact CB-CD1 4.1Å; E191-F274 HydrophobicContact CB-CE1 3.68Å; R192-F274 WeakPolarHBondContact O-CE1 3.33Å; L193-F274 HydrophobicContact CD2-CB 4.37Å; P194-F274 HydrophobicContact CG-CE1 4.25Å; P194-F274 HydrophobicContact CG-CZ 4.26Å; L198-F274 HydrophobicContact CD1-CB 4.25Å; L198-F274 HydrophobicContact CD1-CD2 4.19Å; L198-F274 HydrophobicContact CD1-CG 4.34Å; L198-F274 HydrophobicContact CD2-CD2 3.76Å; L198-F274 HydrophobicContact CD2-CE2 3.81Å; L198-F274 HydrophobicContact CD2-CG 4.38Å; L198-F274 HydrophobicContact CD2-CZ 4.45Å; P271-F274 HydrophobicContact CB-CD2 3.94Å; P271-F274 HydrophobicContact CB-CE2 4.33Å; P271-F274 HydrophobicContact CG-CD2 4.15Å; P271-F274 HydrophobicContact CG-CE2 4.46Å; P271-F274 PolarHBondContact O-N 2.78Å; P271-F274 VanDerWaalsContact O-N 3.13Å; A272-F274 PolarHBondContact O-N 2.79Å; A272-F274 VanDerWaalsContact O-N 3.15Å; F274-D276 VanDerWaalsContact C-N 3.32Å; F274-D276 PolarHBondContact O-N 3.23Å; F274-A277 PolarHBondContact O-N 2.94Å; F274-A277 VanDerWaalsContact O-N 3.09Å; F274-I278 HydrophobicContact CB-CD1 4.21Å; F274-I278 HydrophobicContact CB-CG1 4.38Å; F274-I278 VanDerWaalsContact O-CG1 3.24Å; F274-I278 WeakPolarHBondContact O-CG1 3.48Å; F274-I278 PolarHBondContact O-N 2.68Å |
| 275 | V | 89.9 | Confident | 88.4 | Confident | 4 Ų | 4 | 30.3 Ų | 30.3 | 2% | 0.024 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -55.1 | -47.2 | -172.5 | 172.4 | 0 | 0 | 0 | 0 | 111.8 | S241 H251 V270 A272 I278 K279 | S241-V275 VanDerWaalsContact OG-CG1 3.3Å; S241-V275 WeakPolarHBondContact OG-CG1 3.16Å; H251-V275 HydrophobicContact CB-CG2 3.83Å; V270-V275 HydrophobicContact CG1-CG2 4.04Å; A272-V275 WeakPolarHBondContact O-CB 3.43Å; A272-V275 PolarHBondContact O-N 2.79Å; A272-V275 VanDerWaalsContact O-N 3.15Å; V275-I278 PolarHBondContact O-N 2.85Å; V275-K279 WeakPolarHBondContact O-CG 3.35Å; V275-K279 PolarHBondContact O-N 2.84Å; V275-K279 VanDerWaalsContact O-N 3.08Å |
| 276 | D | 88.7 | Confident | 86.3 | Confident | 58 Ų | 58 | 39.5 Ų | 39.5 | 31% | 0.31 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -65.7 | -44.2 | 179.2 | -71.1 | -15.2 | 0 | 0 | 0 | 111.4 | K190 F274 I278 K279 D280 | K190-D276 WeakPolarHBondContact CD-OD2 3.42Å; K190-D276 WeakPolarHBondContact CE-OD2 3.47Å; K190-D276 IonicContact NZ-OD2 2.93Å; K190-D276 PolarHBondContact NZ-OD2 2.9Å; F274-D276 VanDerWaalsContact C-N 3.32Å; F274-D276 PolarHBondContact O-N 3.23Å; D276-I278 VanDerWaalsContact C-N 3.3Å; D276-I278 PolarHBondContact O-N 2.81Å; D276-K279 PolarHBondContact O-N 2.92Å; D276-D280 WeakPolarHBondContact O-CB 3.44Å; D276-D280 PolarHBondContact O-N 2.84Å |
| 277 | A | 90.2 | Very high | 83.7 | Confident | 14 Ų | 14 | 45.8 Ų | 45.8 | 12% | 0.116 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.5 | -33.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | E191 L193 F274 T281 | E191-A277 WeakPolarHBondContact O-CB 3.31Å; L193-A277 HydrophobicContact CD2-CB 3.86Å; L193-A277 HydrophobicContact CG-CB 3.88Å; F274-A277 PolarHBondContact O-N 2.94Å; F274-A277 VanDerWaalsContact O-N 3.09Å; A277-T281 WeakPolarHBondContact O-CB 3.16Å; A277-T281 PolarHBondContact O-N 3.11Å; A277-T281 PolarHBondContact O-OG1 3.43Å |
| 278 | I | 91.4 | Very high | 80.8 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.2 | -47.5 | 174.2 | -65.9 | 173.4 | 0 | 0 | 0 | 109.5 | L193 L198 F213 M253 F255 V270 F274 V275 D276 T281 V282 | L193-I278 HydrophobicContact CD2-CB 4.3Å; L193-I278 HydrophobicContact CD2-CD1 4.45Å; L193-I278 HydrophobicContact CD2-CG1 3.38Å; L198-I278 HydrophobicContact CD1-CD1 3.96Å; F213-I278 HydrophobicContact CE1-CG1 4.26Å; F213-I278 HydrophobicContact CE1-CG2 4.02Å; F213-I278 HydrophobicContact CE2-CD1 4.5Å; F213-I278 HydrophobicContact CE2-CG1 4.29Å; F213-I278 HydrophobicContact CZ-CB 4.34Å; F213-I278 HydrophobicContact CZ-CD1 4Å; F213-I278 HydrophobicContact CZ-CG1 3.65Å; F213-I278 HydrophobicContact CZ-CG2 3.94Å; M253-I278 HydrophobicContact CE-CD1 3.59Å; M253-I278 HydrophobicContact CE-CG2 3.95Å; M253-I278 HydrophobicContact SD-CB 4.26Å; M253-I278 HydrophobicContact SD-CD1 4.25Å; M253-I278 HydrophobicContact SD-CG2 3.75Å; F255-I278 HydrophobicContact CE1-CG2 3.74Å; F255-I278 HydrophobicContact CZ-CG2 3.9Å; V270-I278 HydrophobicContact CG1-CD1 3.97Å; F274-I278 HydrophobicContact CB-CD1 4.21Å; F274-I278 HydrophobicContact CB-CG1 4.38Å; F274-I278 VanDerWaalsContact O-CG1 3.24Å; F274-I278 WeakPolarHBondContact O-CG1 3.48Å; F274-I278 PolarHBondContact O-N 2.68Å; V275-I278 PolarHBondContact O-N 2.85Å; D276-I278 VanDerWaalsContact C-N 3.3Å; D276-I278 PolarHBondContact O-N 2.81Å; I278-T281 PolarHBondContact O-N 3.46Å; I278-V282 HydrophobicContact CG2-CG2 4.26Å; I278-V282 VanDerWaalsContact O-CB 3.31Å; I278-V282 WeakPolarHBondContact O-CB 3.2Å; I278-V282 VanDerWaalsContact O-CG2 3.26Å; I278-V282 WeakPolarHBondContact O-CG2 3.39Å; I278-V282 PolarHBondContact O-N 3.29Å |
| 279 | K | 89.7 | Confident | 78.1 | Confident | 60 Ų | 60 | 65 Ų | 65 | 26% | 0.261 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.4 | -50.3 | 178 | -73.2 | 179.4 | 178.1 | 177.7 | 0 | 111.7 | V239 S241 V275 D276 T281 V282 L283 | V239-K279 HydrophobicContact CB-CG 4.21Å; V239-K279 HydrophobicContact CG1-CG 3.98Å; S241-K279 WeakPolarHBondContact OG-CE 3.38Å; S241-K279 PolarHBondContact OG-NZ 3.15Å; V275-K279 WeakPolarHBondContact O-CG 3.35Å; V275-K279 PolarHBondContact O-N 2.84Å; V275-K279 VanDerWaalsContact O-N 3.08Å; D276-K279 PolarHBondContact O-N 2.92Å; K279-T281 VanDerWaalsContact C-N 3.26Å; K279-T281 PolarHBondContact O-N 2.63Å; K279-V282 PolarHBondContact O-N 3.35Å; K279-L283 WeakPolarHBondContact O-CB 3.48Å; K279-L283 PolarHBondContact O-N 3.45Å |
| 280 | D | 89.1 | Confident | 77.4 | Confident | 74 Ų | 74 | 68.1 Ų | 68.1 | 40% | 0.396 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59.3 | -38.8 | 179.6 | -78.6 | 3.5 | 0 | 0 | 0 | 112.3 | D276 G284 K285 | D276-D280 WeakPolarHBondContact O-CB 3.44Å; D276-D280 PolarHBondContact O-N 2.84Å; D280-G284 CarbonylContact O-C 3.5Å; D280-G284 WeakPolarHBondContact O-CA 3.28Å; D280-G284 PolarHBondContact O-N 3.32Å; D280-G284 VanDerWaalsContact O-N 3.14Å; D280-K285 HydrophobicContact CB-CG 4.23Å; D280-K285 PolarHBondContact O-N 3.29Å |
| 281 | T | 87.3 | Confident | 76.6 | Confident | 43 Ų | 43 | 71.6 Ų | 71.6 | 26% | 0.264 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -73.7 | -42.4 | -179.2 | -61 | 0 | 0 | 0 | 0 | 111.4 | L193 L215 M233 A277 I278 K279 | L193-T281 HydrophobicContact CD1-CG2 3.71Å; L193-T281 WeakPolarHBondContact CD1-OG1 3.43Å; L215-T281 HydrophobicContact CD2-CG2 3.34Å; M233-T281 HydrophobicContact CE-CG2 3.9Å; M233-T281 HydrophobicContact SD-CG2 3.79Å; A277-T281 WeakPolarHBondContact O-CB 3.16Å; A277-T281 PolarHBondContact O-N 3.11Å; A277-T281 PolarHBondContact O-OG1 3.43Å; I278-T281 PolarHBondContact O-N 3.46Å; K279-T281 VanDerWaalsContact C-N 3.26Å; K279-T281 PolarHBondContact O-N 2.63Å |
| 282 | V | 87.2 | Confident | 75.8 | Confident | 7 Ų | 7 | 75.5 Ų | 75.5 | 4% | 0.042 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -80.1 | -40.6 | -173.6 | 169.9 | 0 | 0 | 0 | 0 | 112.5 | F213 I236 V239 F255 I278 K279 | F213-V282 HydrophobicContact CE1-CG2 4.23Å; I236-V282 HydrophobicContact CB-CG1 3.58Å; I236-V282 HydrophobicContact CD1-CG1 3.49Å; I236-V282 VanDerWaalsContact CD1-CG1 3.49Å; I236-V282 HydrophobicContact CD1-CG2 4.41Å; I236-V282 HydrophobicContact CG1-CG1 4.09Å; I236-V282 HydrophobicContact CG2-CG1 3.55Å; V239-V282 HydrophobicContact CG2-CB 4.17Å; V239-V282 HydrophobicContact CG2-CG1 3.69Å; F255-V282 HydrophobicContact CE1-CG2 4.3Å; I278-V282 HydrophobicContact CG2-CG2 4.26Å; I278-V282 VanDerWaalsContact O-CB 3.31Å; I278-V282 WeakPolarHBondContact O-CB 3.2Å; I278-V282 VanDerWaalsContact O-CG2 3.26Å; I278-V282 WeakPolarHBondContact O-CG2 3.39Å; I278-V282 PolarHBondContact O-N 3.29Å; K279-V282 PolarHBondContact O-N 3.35Å |
| 283 | L | 85.7 | Confident | 75 | Confident | 82 Ų | 82 | 78.5 Ų | 78.5 | 43% | 0.429 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -92.5 | -7.6 | -178.8 | -59.3 | 176.5 | 0 | 0 | 0 | 112.6 | V239 K279 | V239-L283 HydrophobicContact CB-CD1 4.28Å; V239-L283 HydrophobicContact CG2-CD1 4.34Å; V239-L283 HydrophobicContact CG2-CD2 4.2Å; V239-L283 HydrophobicContact CG2-CG 4.13Å; K279-L283 WeakPolarHBondContact O-CB 3.48Å; K279-L283 PolarHBondContact O-N 3.45Å |
| 284 | G | 75.5 | Confident | 74 | Confident | 41 Ų | 41 | 83.2 Ų | 83.2 | 42% | 0.423 | 39% | 0.391 | S | S | . | . | trans | 77.7 | 151.7 | -169.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | D280 W286 | D280-G284 CarbonylContact O-C 3.5Å; D280-G284 WeakPolarHBondContact O-CA 3.28Å; D280-G284 PolarHBondContact O-N 3.32Å; D280-G284 VanDerWaalsContact O-N 3.14Å; G284-W286 PolarHBondContact O-N 3.22Å | ||
| 285 | K | 61.2 | Low | 72.8 | Confident | 154 Ų | 154 | 88.3 Ų | 88.3 | 67% | 0.67 | 42% | 0.415 | S | S | * | . | trans | -71.4 | 123 | 168.9 | -71.1 | -171.1 | 174.3 | -169.1 | 0 | 108.8 | D280 Q287 | D280-K285 HydrophobicContact CB-CG 4.23Å; D280-K285 PolarHBondContact O-N 3.29Å; K285-Q287 PolarHBondContact O-N 3.05Å | ||
| 286 | W | 48.3 | Very low | 71.6 | Confident | 229 Ų | 229 | 94.4 Ų | 94.4 | 87% | 0.867 | 44% | 0.443 | S | S | * | . | trans | -60.2 | 100.4 | 163.7 | -108.8 | 12.3 | 0 | 0 | 0 | 108.5 | G284 | G284-W286 PolarHBondContact O-N 3.22Š| ||
| 287 | Q | 38.4 | Very low | 70.3 | Confident | 153 Ų | 153 | 97.2 Ų | 97.2 | 72% | 0.715 | 45% | 0.453 | S | S | * | . | trans | -83.1 | 111.9 | 163.1 | -73.4 | -168.6 | -44.6 | 0 | 0 | 107.1 | K285 F289 | K285-Q287 PolarHBondContact O-N 3.05Å; Q287-F289 PolarHBondContact O-N 3.08Å | ||
| 288 | Y | 34.3 | Very low | 68.7 | Low | 148 Ų | 148 | 104.1 Ų | 104.1 | 58% | 0.58 | 48% | 0.482 | S | S | * | . | trans | -62.1 | 114.1 | 160.4 | -79 | -77.5 | 0 | 0 | 0 | 107.3 | V149 | V149-Y288 HydrophobicContact CB-CE1 4.13Å; V149-Y288 HydrophobicContact CG1-CD1 3.96Å; V149-Y288 HydrophobicContact CG1-CE1 3.08Å; V149-Y288 HydrophobicContact CG1-CE2 4.42Å; V149-Y288 VanDerWaalsContact CG1-OH 3.32Å; V149-Y288 WeakPolarHBondContact CG1-OH 3.39Å; V149-Y288 HydrophobicContact CG2-CE1 3.91Å | ||
| 289 | F | 35.7 | Very low | 66.6 | Low | 258 Ų | 258 | 113.5 Ų | 113.5 | 100% | 1.132 | 53% | 0.525 | S | S | * | . | trans | -80.7 | 0 | 162 | -78.3 | -81.3 | 0 | 0 | 0 | 109.4 | Q287 | Q287-F289 PolarHBondContact O-N 3.08Š|
Retrieved 289 of 289 residues in 761.4 ms
(Link to these results)