| 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 | 41.1 | Very low | 41.9 | Very low | 238 Ų | 238 | 140.1 Ų | 140.1 | 100% | 1.172 | 77% | 0.773 | S | S | * | * | 0 | 72.1 | 0 | -68.2 | 173.9 | 175.2 | 0 | 0 | 104.5 | |||||
| 2 | E | 40.3 | Very low | 41.5 | Very low | 188 Ų | 188 | 141 Ų | 141 | 88% | 0.879 | 78% | 0.776 | S | S | * | * | 61.9 | 100.7 | 91.4 | -69.4 | -169.4 | 175.5 | 0 | 0 | 109.1 | |||||
| 3 | A | 44.9 | Very low | 41.1 | Very low | 84 Ų | 84 | 136.3 Ų | 136.3 | 69% | 0.694 | 76% | 0.759 | S | S | * | * | 97.2 | 136.2 | 89.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | |||||
| 4 | E | 47.4 | Very low | 40.8 | Very low | 163 Ų | 163 | 135.4 Ų | 135.4 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | cis | -169.7 | 136.6 | 18.9 | -104.7 | 158.6 | -164.9 | 0 | 0 | 105.5 | ||||
| 5 | N | 44.6 | Very low | 40.5 | Very low | 140 Ų | 140 | 135 Ų | 135 | 75% | 0.749 | 76% | 0.761 | S | S | * | * | 65.4 | 142.3 | 103.4 | -61.8 | -9.7 | 0 | 0 | 0 | 114.3 | |||||
| 6 | D | 41.7 | Very low | 40.2 | Very low | 130 Ų | 130 | 136.9 Ų | 136.9 | 70% | 0.695 | 76% | 0.762 | S | S | * | * | cis | -167.6 | 137.5 | 9.9 | -135.9 | -10.3 | 0 | 0 | 0 | 106.6 | ||||
| 7 | S | 45.3 | Very low | 39.8 | Very low | 84 Ų | 84 | 138.6 Ų | 138.6 | 59% | 0.587 | 77% | 0.769 | S | S | * | * | 73.2 | 112 | 101.4 | -82.3 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 8 | T | 40.4 | Very low | 39.5 | Very low | 133 Ų | 133 | 138.7 Ų | 138.7 | 82% | 0.816 | 77% | 0.768 | S | S | * | * | 74.1 | 147 | 90.1 | 60.7 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 9 | A | 40.5 | Very low | 39.3 | Very low | 76 Ų | 76 | 137.3 Ų | 137.3 | 63% | 0.628 | 77% | 0.769 | S | S | * | * | cis | -171.7 | 156.8 | -0.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 10 | E | 37 | Very low | 39.1 | Very low | 166 Ų | 166 | 136.6 Ų | 136.6 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | trans | 52.2 | 139.5 | 133.5 | -60.9 | -175.7 | 168 | 0 | 0 | 124.5 | ||||
| 11 | N | 38.3 | Very low | 39 | Very low | 139 Ų | 139 | 136.5 Ų | 136.5 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | trans | 130.1 | 106.1 | 133.6 | -66.3 | -43.4 | 0 | 0 | 0 | 111.3 | ||||
| 12 | D | 36.2 | Very low | 38.8 | Very low | 151 Ų | 151 | 133.4 Ų | 133.4 | 81% | 0.807 | 75% | 0.753 | S | S | * | * | 86.9 | 136.3 | 66.6 | -157.4 | 18.2 | 0 | 0 | 0 | 113.6 | |||||
| 13 | S | 36.8 | Very low | 38.4 | Very low | 80 Ų | 80 | 132.3 Ų | 132.3 | 56% | 0.559 | 75% | 0.753 | S | S | * | * | trans | -32.1 | 153.3 | -173.5 | 57.6 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 14 | T | 36.3 | Very low | 37.8 | Very low | 124 Ų | 124 | 134.9 Ų | 134.9 | 76% | 0.761 | 76% | 0.755 | S | S | * | * | 168.9 | 136 | 101.4 | 34.8 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 15 | V | 36.8 | Very low | 37.2 | Very low | 129 Ų | 129 | 133 Ų | 133 | 78% | 0.782 | 76% | 0.761 | S | S | * | * | trans | 73.6 | 113.9 | 133.6 | -178.9 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 16 | E | 36.3 | Very low | 36.8 | Very low | 166 Ų | 166 | 132.5 Ų | 132.5 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | trans | 28.9 | 137.2 | 136 | -48.7 | -150 | 170.8 | 0 | 0 | 124 | ||||
| 17 | N | 33.6 | Very low | 36.5 | Very low | 166 Ų | 166 | 131 Ų | 131 | 89% | 0.888 | 77% | 0.768 | S | S | * | * | -167.9 | 148 | 117.7 | -94.4 | -38.2 | 0 | 0 | 0 | 114 | |||||
| 18 | D | 33.8 | Very low | 35.9 | Very low | 139 Ų | 139 | 133 Ų | 133 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | trans | -78.9 | 153 | -172.2 | -170.6 | 15.8 | 0 | 0 | 0 | 114.4 | ||||
| 19 | S | 35.8 | Very low | 35.7 | Very low | 113 Ų | 113 | 130.6 Ų | 130.6 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | trans | 178.3 | 118.8 | 138.1 | 40.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 20 | T | 35.1 | Very low | 35.8 | Very low | 122 Ų | 122 | 133 Ų | 133 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | trans | -76.6 | 140.9 | 165.3 | 37.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 21 | V | 37.3 | Very low | 35.7 | Very low | 136 Ų | 136 | 133.2 Ų | 133.2 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | trans | -139.6 | 115.9 | 159.8 | 176.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 22 | E | 35.5 | Very low | 35.6 | Very low | 172 Ų | 172 | 129.5 Ų | 129.5 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | -65.8 | 149 | 168.4 | -62.6 | -115.6 | 143 | 0 | 0 | 111.4 | ||||
| 23 | N | 33.4 | Very low | 35.9 | Very low | 165 Ų | 165 | 130.6 Ų | 130.6 | 88% | 0.882 | 78% | 0.784 | S | S | * | * | trans | -153.4 | 117.2 | 150.1 | -90.5 | -33.8 | 0 | 0 | 0 | 110.2 | ||||
| 24 | D | 32.8 | Very low | 36.1 | Very low | 138 Ų | 138 | 136.2 Ų | 136.2 | 74% | 0.738 | 80% | 0.798 | S | S | * | * | trans | -95.1 | 138.7 | 176.8 | -159.8 | 9.1 | 0 | 0 | 0 | 108.8 | ||||
| 25 | S | 34.8 | Very low | 36.3 | Very low | 125 Ų | 125 | 138.8 Ų | 138.8 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | trans | -167 | 118.2 | 161.8 | -81.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 26 | T | 35 | Very low | 36.5 | Very low | 129 Ų | 129 | 139.7 Ų | 139.7 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | trans | -100 | 151.7 | 176.8 | 37.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 27 | A | 34.9 | Very low | 36.9 | Very low | 97 Ų | 97 | 137.6 Ų | 137.6 | 80% | 0.802 | 79% | 0.791 | S | S | * | * | trans | 74.6 | 120.1 | 153.1 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 28 | S | 34.3 | Very low | 37.4 | Very low | 127 Ų | 127 | 137.6 Ų | 137.6 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | 173.6 | 154.4 | 100.2 | 50.6 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 29 | A | 36.2 | Very low | 37.9 | Very low | 83 Ų | 83 | 135.3 Ų | 135.3 | 69% | 0.686 | 78% | 0.777 | S | S | * | * | trans | -115.6 | 178 | -164.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 30 | T | 40.7 | Very low | 38.4 | Very low | 126 Ų | 126 | 133.5 Ų | 133.5 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | trans | 77.7 | 115 | 152.9 | 67.9 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 31 | D | 36.1 | Very low | 39 | Very low | 170 Ų | 170 | 134.4 Ų | 134.4 | 91% | 0.909 | 76% | 0.757 | S | S | * | * | S | Bend | 172.9 | 69.3 | 116.6 | -104.2 | -24.8 | 0 | 0 | 0 | 112.1 | |||
| 32 | G | 36.3 | Very low | 39.2 | Very low | 62 Ų | 62 | 130.1 Ų | 130.1 | 64% | 0.639 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -149 | -7.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||
| 33 | E | 41.2 | Very low | 39.7 | Very low | 174 Ų | 174 | 128.3 Ų | 128.3 | 81% | 0.813 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -106.7 | 6.7 | -168.1 | -73.6 | -174.3 | 138.2 | 0 | 0 | 115.1 | ||
| 34 | K | 41.7 | Very low | 40.5 | Very low | 197 Ų | 197 | 127.1 Ų | 127.1 | 86% | 0.857 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -92.5 | -13.9 | -175 | -129.4 | 179.9 | -177.8 | -174.6 | 0 | 115.4 | ||
| 35 | E | 40.7 | Very low | 41.3 | Very low | 179 Ų | 179 | 127.7 Ų | 127.7 | 84% | 0.836 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -95.2 | -9.7 | -175.4 | -129.6 | 177.2 | -177.1 | 0 | 0 | 113.8 | ||
| 36 | Q | 41.4 | Very low | 41.7 | Very low | 148 Ų | 148 | 128.6 Ų | 128.6 | 69% | 0.692 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -99.8 | -7.1 | -178 | -66.5 | -173.1 | 54.7 | 0 | 0 | 114.3 | V40 | Q36-V40 WeakPolarHBondContact O-CG2 3.46Š|
| 37 | L | 43.9 | Very low | 42.6 | Very low | 122 Ų | 122 | 127.6 Ų | 127.6 | 64% | 0.639 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -87.8 | -27.1 | -178.9 | -86.9 | 156.6 | 0 | 0 | 0 | 113.2 | ||
| 38 | E | 44.1 | Very low | 43.1 | Very low | 166 Ų | 166 | 128.6 Ų | 128.6 | 78% | 0.776 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -81.4 | -25.7 | -176.3 | -156.5 | 169.3 | -169.1 | 0 | 0 | 112.6 | ||
| 39 | T | 44.5 | Very low | 43.8 | Very low | 91 Ų | 91 | 129.7 Ų | 129.7 | 56% | 0.558 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -77.9 | -23.8 | 176.8 | 46.9 | 0 | 0 | 0 | 0 | 113.7 | ||
| 40 | V | 47.1 | Very low | 44.2 | Very low | 75 Ų | 75 | 131.9 Ų | 131.9 | 46% | 0.455 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -88.4 | -25.2 | -176.2 | 178.8 | 0 | 0 | 0 | 0 | 112.3 | Q36 | Q36-V40 WeakPolarHBondContact O-CG2 3.46Å |
| 41 | E | 47.5 | Very low | 44.5 | Very low | 141 Ų | 141 | 129.5 Ų | 129.5 | 66% | 0.659 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -75.2 | -38.3 | 174 | -74.8 | -173.3 | 154.7 | 0 | 0 | 111.9 | E43 K44 E45 | E41-E43 VanDerWaalsContact C-N 3.3Å; E41-E43 PolarHBondContact O-N 3.36Å; E41-K44 PolarHBondContact O-N 3.16Å; E41-K44 VanDerWaalsContact O-N 3.16Å; E41-E45 PolarHBondContact O-N 3.37Å |
| 42 | G | 40.4 | Very low | 45 | Very low | 46 Ų | 46 | 128.1 Ų | 128.1 | 47% | 0.474 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -66.5 | -27.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 43 | E | 47.8 | Very low | 45.4 | Very low | 133 Ų | 133 | 132 Ų | 132 | 62% | 0.621 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -78.5 | -21.7 | 174.6 | -73.2 | -175.9 | 160.4 | 0 | 0 | 112.9 | E41 I47 | E41-E43 VanDerWaalsContact C-N 3.3Å; E41-E43 PolarHBondContact O-N 3.36Å; E43-I47 VanDerWaalsContact O-CD1 3.3Å; E43-I47 WeakPolarHBondContact O-CD1 3.3Å; E43-I47 VanDerWaalsContact O-CG1 3.28Å; E43-I47 WeakPolarHBondContact O-CG1 3.5Å |
| 44 | K | 49.4 | Very low | 45.4 | Very low | 140 Ų | 140 | 131.6 Ų | 131.6 | 61% | 0.609 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -79.3 | -37.6 | 177 | -80.9 | -179.9 | 174.7 | -179.8 | 0 | 113.2 | E41 L48 | E41-K44 PolarHBondContact O-N 3.16Å; E41-K44 VanDerWaalsContact O-N 3.16Å; K44-L48 PolarHBondContact O-N 3.26Å |
| 45 | E | 50 | Low | 45.4 | Very low | 150 Ų | 150 | 129 Ų | 129 | 70% | 0.701 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -67.9 | -37.8 | 177.3 | -76 | -175.7 | 157.8 | 0 | 0 | 111.6 | E41 I47 L48 E49 | E41-E45 PolarHBondContact O-N 3.37Å; E45-I47 VanDerWaalsContact C-N 3.33Å; E45-I47 PolarHBondContact O-N 3.37Å; E45-L48 PolarHBondContact O-N 3.23Å; E45-E49 PolarHBondContact O-N 3.25Å |
| 46 | K | 42.8 | Very low | 45.5 | Very low | 145 Ų | 145 | 128.4 Ų | 128.4 | 63% | 0.63 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -66 | -32.3 | 178.9 | -165.9 | 178.5 | 179.4 | -170.3 | 0 | 113.8 | E50 | K46-E50 WeakPolarHBondContact O-CB 3.28Å; K46-E50 PolarHBondContact O-N 3.38Å |
| 47 | I | 53.5 | Low | 45.2 | Very low | 108 Ų | 108 | 128.1 Ų | 128.1 | 55% | 0.554 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -78.1 | -28.3 | 178.9 | -64.7 | 168.5 | 0 | 0 | 0 | 111.2 | E43 E45 T51 | E43-I47 VanDerWaalsContact O-CD1 3.3Å; E43-I47 WeakPolarHBondContact O-CD1 3.3Å; E43-I47 VanDerWaalsContact O-CG1 3.28Å; E43-I47 WeakPolarHBondContact O-CG1 3.5Å; E45-I47 VanDerWaalsContact C-N 3.33Å; E45-I47 PolarHBondContact O-N 3.37Å; I47-T51 VanDerWaalsContact O-CG2 3.26Å; I47-T51 WeakPolarHBondContact O-CG2 3.26Å; I47-T51 PolarHBondContact O-N 2.82Å; I47-T51 PolarHBondContact O-OG1 3.37Å; I47-T51 VanDerWaalsContact O-OG1 3.1Å |
| 48 | L | 45.6 | Very low | 45.1 | Very low | 118 Ų | 118 | 130.8 Ų | 130.8 | 62% | 0.618 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -72.1 | -42.2 | 176.5 | -90.9 | 152.8 | 0 | 0 | 0 | 111.9 | K44 E45 T51 E52 | K44-L48 PolarHBondContact O-N 3.26Å; E45-L48 PolarHBondContact O-N 3.23Å; L48-T51 PolarHBondContact O-N 3.22Å; L48-T51 PolarHBondContact O-OG1 3.23Å; L48-E52 PolarHBondContact O-N 3.26Å |
| 49 | E | 48.7 | Very low | 44.9 | Very low | 149 Ų | 149 | 131.6 Ų | 131.6 | 70% | 0.696 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -65 | -42.5 | 176.9 | -119.6 | 175.1 | 179.2 | 0 | 0 | 112.1 | E45 T51 E52 E53 | E45-E49 PolarHBondContact O-N 3.25Å; E49-T51 PolarHBondContact O-N 3.24Å; E49-E52 PolarHBondContact O-N 3.31Å; E49-E53 PolarHBondContact O-N 3.37Å |
| 50 | E | 45.6 | Very low | 45 | Very low | 130 Ų | 130 | 136.2 Ų | 136.2 | 61% | 0.607 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -70.7 | -15.4 | 179.7 | -160.6 | 174 | -177.3 | 0 | 0 | 112.9 | K46 | K46-E50 WeakPolarHBondContact O-CB 3.28Å; K46-E50 PolarHBondContact O-N 3.38Å |
| 51 | T | 45.7 | Very low | 44.4 | Very low | 76 Ų | 76 | 141 Ų | 141 | 47% | 0.466 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -92.6 | -23.1 | 174.1 | 53.1 | 0 | 0 | 0 | 0 | 114.2 | I47 L48 E49 | I47-T51 VanDerWaalsContact O-CG2 3.26Å; I47-T51 WeakPolarHBondContact O-CG2 3.26Å; I47-T51 PolarHBondContact O-N 2.82Å; I47-T51 PolarHBondContact O-OG1 3.37Å; I47-T51 VanDerWaalsContact O-OG1 3.1Å; L48-T51 PolarHBondContact O-N 3.22Å; L48-T51 PolarHBondContact O-OG1 3.23Å; E49-T51 PolarHBondContact O-N 3.24Å |
| 52 | E | 47.8 | Very low | 43.6 | Very low | 140 Ų | 140 | 142.6 Ų | 142.6 | 65% | 0.654 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -80.8 | -40.6 | 177.4 | -134.4 | 168.6 | -174.5 | 0 | 0 | 110.4 | L48 E49 K54 L55 | L48-E52 PolarHBondContact O-N 3.26Å; E49-E52 PolarHBondContact O-N 3.31Å; E52-K54 PolarHBondContact O-N 3.1Å; E52-L55 PolarHBondContact O-N 3.23Å |
| 53 | E | 43.4 | Very low | 43.3 | Very low | 145 Ų | 145 | 147.2 Ų | 147.2 | 68% | 0.678 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | -25.5 | 175.6 | -164.6 | 175.2 | -166.3 | 0 | 0 | 112.5 | E49 | E49-E53 PolarHBondContact O-N 3.37Š|
| 54 | K | 42.9 | Very low | 42.7 | Very low | 164 Ų | 164 | 149.1 Ų | 149.1 | 71% | 0.713 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -6.5 | -178.5 | -153.3 | 170.2 | -174.1 | 177.6 | 0 | 114.5 | E52 | E52-K54 PolarHBondContact O-N 3.1Š|
| 55 | L | 39.9 | Very low | 41.7 | Very low | 143 Ų | 143 | 151.8 Ų | 151.8 | 75% | 0.749 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.2 | -11.2 | 177.5 | -78.3 | 166.8 | 0 | 0 | 0 | 112.9 | E52 | E52-L55 PolarHBondContact O-N 3.23Š|
| 56 | E | 43 | Very low | 40.8 | Very low | 166 Ų | 166 | 153.9 Ų | 153.9 | 78% | 0.776 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -89.9 | -15 | 176.3 | -67.3 | -173.2 | 163.9 | 0 | 0 | 113.2 | ||
| 57 | D | 35.2 | Very low | 40.4 | Very low | 142 Ų | 142 | 155.6 Ų | 155.6 | 76% | 0.759 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | -0.6 | -175.8 | -83.1 | -15.2 | 0 | 0 | 0 | 115.3 | ||
| 58 | E | 41.3 | Very low | 39.3 | Very low | 179 Ų | 179 | 158.2 Ų | 158.2 | 84% | 0.836 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.2 | 8.7 | -177 | -73.9 | -162 | 173.4 | 0 | 0 | 115.6 | ||
| 59 | E | 40.3 | Very low | 38.6 | Very low | 183 Ų | 183 | 162.5 Ų | 162.5 | 86% | 0.855 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -124.4 | 55.1 | 175 | -67.1 | -162.4 | -177.1 | 0 | 0 | 113.1 | ||
| 60 | E | 47.8 | Very low | 37.8 | Very low | 187 Ų | 187 | 162.7 Ų | 162.7 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | trans | -135.8 | 150.3 | 155.1 | -79.7 | -148.4 | 177.8 | 0 | 0 | 111 | ||||
| 61 | E | 34.3 | Very low | 37 | Very low | 177 Ų | 177 | 160 Ų | 160 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | trans | 89.6 | 91 | -176.6 | -56.7 | -167 | 178.6 | 0 | 0 | 116.6 | ||||
| 62 | D | 29.9 | Very low | 36.2 | Very low | 174 Ų | 174 | 165.2 Ų | 165.2 | 93% | 0.93 | 81% | 0.807 | S | S | * | * | -154.4 | 102.9 | 119.9 | -94.2 | -24.6 | 0 | 0 | 0 | 108.9 | |||||
| 63 | D | 33.8 | Very low | 35.3 | Very low | 142 Ų | 142 | 165.8 Ų | 165.8 | 76% | 0.759 | 81% | 0.814 | S | S | * | * | trans | -89.6 | 150.8 | -178.3 | -97.3 | -32 | 0 | 0 | 0 | 112.9 | ||||
| 64 | E | 34.8 | Very low | 34.9 | Very low | 174 Ų | 174 | 167.2 Ų | 167.2 | 81% | 0.813 | 82% | 0.821 | S | S | * | * | trans | 69.7 | 116.9 | 145 | -67.7 | 179.2 | -173.8 | 0 | 0 | 121.4 | ||||
| 65 | E | 29.6 | Very low | 34.4 | Very low | 195 Ų | 195 | 168.3 Ų | 168.3 | 91% | 0.911 | 83% | 0.829 | S | S | * | * | -169.8 | 98.2 | 110.1 | -100 | -178.7 | -168.3 | 0 | 0 | 109.9 | |||||
| 66 | E | 31.8 | Very low | 34 | Very low | 194 Ų | 194 | 170.3 Ų | 170.3 | 91% | 0.907 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 118.1 | 162.6 | -82.4 | -87.2 | 174.2 | 0 | 0 | 107.6 | ||
| 67 | E | 33.4 | Very low | 33.3 | Very low | 181 Ų | 181 | 170 Ų | 170 | 85% | 0.846 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 120 | 166.1 | -85.9 | -144.2 | 166.7 | 0 | 0 | 110.9 | ||
| 68 | E | 30.8 | Very low | 33 | Very low | 163 Ų | 163 | 166.8 Ų | 166.8 | 76% | 0.762 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -50 | 141.5 | 166.7 | -68.7 | -169.9 | 152 | 0 | 0 | 113.6 | ||
| 69 | K | 31 | Very low | 32.6 | Very low | 208 Ų | 208 | 167.2 Ų | 167.2 | 90% | 0.904 | 84% | 0.841 | S | S | * | * | trans | -136.3 | 106.6 | 138.8 | -85.1 | -167.4 | 178 | 164.5 | 0 | 112.1 | ||||
| 70 | D | 30.5 | Very low | 32.4 | Very low | 153 Ų | 153 | 164.4 Ų | 164.4 | 82% | 0.818 | 84% | 0.836 | S | S | * | * | trans | -46 | 145.9 | 160.1 | -90 | -34 | 0 | 0 | 0 | 114.2 | ||||
| 71 | G | 30.1 | Very low | 31.6 | Very low | 74 Ų | 74 | 162.4 Ų | 162.4 | 76% | 0.763 | 83% | 0.831 | S | S | * | * | trans | -171.1 | 36.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 72 | K | 28.4 | Very low | 31.6 | Very low | 185 Ų | 185 | 161.1 Ų | 161.1 | 80% | 0.804 | 84% | 0.836 | S | S | * | * | trans | 66.6 | 116.7 | 139.4 | -144.3 | 178.3 | -174.8 | -170 | 0 | 120.1 | ||||
| 73 | D | 29.4 | Very low | 32.3 | Very low | 152 Ų | 152 | 162.6 Ų | 162.6 | 81% | 0.813 | 83% | 0.834 | S | S | * | * | trans | -56.4 | 136.6 | 158.5 | -58.2 | -56.5 | 0 | 0 | 0 | 112.3 | ||||
| 74 | E | 34.5 | Very low | 32.8 | Very low | 175 Ų | 175 | 164.6 Ų | 164.6 | 82% | 0.818 | 84% | 0.836 | S | S | * | * | trans | -136.3 | 111.5 | 144.8 | -71.9 | -162.2 | 174.4 | 0 | 0 | 108.9 | ||||
| 75 | E | 33.2 | Very low | 32.9 | Very low | 187 Ų | 187 | 163.6 Ų | 163.6 | 87% | 0.874 | 84% | 0.836 | S | S | * | * | trans | -67.7 | 130.8 | 156 | -71.5 | -171.8 | 153.3 | 0 | 0 | 108.7 | ||||
| 76 | E | 30.7 | Very low | 33.3 | Very low | 185 Ų | 185 | 162.3 Ų | 162.3 | 86% | 0.864 | 84% | 0.835 | S | S | * | * | trans | -153.1 | 105 | 148.3 | -130 | -176 | -170.3 | 0 | 0 | 110.6 | ||||
| 77 | D | 29.3 | Very low | 33.4 | Very low | 159 Ų | 159 | 156.4 Ų | 156.4 | 85% | 0.85 | 83% | 0.826 | S | S | * | * | trans | 10.7 | 130.7 | 142.9 | -51.9 | -29.4 | 0 | 0 | 0 | 119.7 | ||||
| 78 | G | 29.1 | Very low | 33.3 | Very low | 76 Ų | 76 | 155.8 Ų | 155.8 | 78% | 0.784 | 83% | 0.828 | S | S | * | * | trans | -172 | 58.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | T80 | G78-T80 PolarHBondContact O-N 3.19Š| ||
| 79 | E | 32.8 | Very low | 33.2 | Very low | 188 Ų | 188 | 159.2 Ų | 159.2 | 88% | 0.879 | 83% | 0.834 | S | S | * | * | trans | -50.6 | 131.9 | 160.2 | -72.5 | -179.1 | 136.5 | 0 | 0 | 110.1 | ||||
| 80 | T | 34.3 | Very low | 33.3 | Very low | 123 Ų | 123 | 158.3 Ų | 158.3 | 76% | 0.755 | 83% | 0.833 | S | S | * | * | trans | -177.2 | 127.4 | 130.9 | 29.5 | 0 | 0 | 0 | 0 | 112.6 | G78 | G78-T80 PolarHBondContact O-N 3.19Š| ||
| 81 | N | 32.9 | Very low | 33.7 | Very low | 145 Ų | 145 | 156.4 Ų | 156.4 | 78% | 0.775 | 83% | 0.832 | S | S | * | * | trans | 73.9 | 81.1 | 144.1 | -61.7 | -32.3 | 0 | 0 | 0 | 120.8 | ||||
| 82 | T | 34.1 | Very low | 33.9 | Very low | 151 Ų | 151 | 162.6 Ų | 162.6 | 93% | 0.926 | 84% | 0.84 | S | S | * | * | trans | -138.5 | 59 | 143.9 | 52.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 83 | K | 43 | Very low | 34.2 | Very low | 204 Ų | 204 | 158.2 Ų | 158.2 | 89% | 0.887 | 84% | 0.839 | S | S | * | * | trans | -118.7 | 81.4 | 168.3 | -153.5 | 168.5 | -168.2 | 161.8 | 0 | 109.3 | ||||
| 84 | K | 45.4 | Very low | 34.5 | Very low | 184 Ų | 184 | 156.4 Ų | 156.4 | 80% | 0.8 | 85% | 0.845 | S | S | * | * | trans | 170.9 | 92.8 | 171.2 | -93.1 | 159 | -166.7 | 179 | 0 | 102.3 | ||||
| 85 | D | 36.8 | Very low | 34.7 | Very low | 154 Ų | 154 | 152.1 Ų | 152.1 | 82% | 0.824 | 84% | 0.839 | S | S | * | * | S | Bend | -176.9 | 67.7 | 98.4 | -76.1 | -29.7 | 0 | 0 | 0 | 110.6 | |||
| 86 | L | 37.7 | Very low | 35.4 | Very low | 167 Ų | 167 | 151 Ų | 151 | 87% | 0.874 | 84% | 0.84 | S | S | * | * | trans | -139.6 | 82.6 | 169.1 | -89.4 | 164.2 | 0 | 0 | 0 | 108.9 | ||||
| 87 | G | 34.2 | Very low | 35.9 | Very low | 71 Ų | 71 | 149.8 Ų | 149.8 | 73% | 0.732 | 84% | 0.838 | S | S | * | * | trans | -179.5 | 63.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 88 | L | 31 | Very low | 36.6 | Very low | 167 Ų | 167 | 151.2 Ų | 151.2 | 87% | 0.874 | 84% | 0.837 | S | S | * | * | S | Bend | trans | -160.5 | 58.9 | 170.3 | -153.7 | 79.2 | 0 | 0 | 0 | 113 | ||
| 89 | W | 29.3 | Very low | 37.6 | Very low | 235 Ų | 235 | 153.2 Ų | 153.2 | 89% | 0.89 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -157.7 | 4.7 | 166.4 | 40.5 | -51.3 | 0 | 0 | 0 | 114.9 | ||
| 90 | E | 33.2 | Very low | 38.5 | Very low | 190 Ų | 190 | 152 Ų | 152 | 89% | 0.888 | 84% | 0.835 | S | S | * | * | trans | -103.6 | 78.9 | 168.9 | -68.7 | -172.9 | 157.2 | 0 | 0 | 110.1 | ||||
| 91 | S | 38.7 | Very low | 39.8 | Very low | 113 Ų | 113 | 153.9 Ų | 153.9 | 79% | 0.79 | 84% | 0.839 | S | S | * | * | trans | -170.2 | 70.3 | 162.8 | -75.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 92 | E | 33.9 | Very low | 41.2 | Very low | 203 Ų | 203 | 150.6 Ų | 150.6 | 95% | 0.949 | 83% | 0.826 | S | S | * | * | S | Bend | trans | -162.9 | 138.3 | 142.2 | -120 | 160.6 | 160.7 | 0 | 0 | 113.1 | ||
| 93 | A | 35.1 | Very low | 42.6 | Very low | 94 Ų | 94 | 147.6 Ų | 147.6 | 78% | 0.777 | 80% | 0.804 | S | S | * | * | trans | 76.3 | 69 | 168.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | A95 | A93-A95 PolarHBondContact O-N 3.43Š| ||
| 94 | A | 35.9 | Very low | 44 | Very low | 113 Ų | 113 | 142 Ų | 142 | 93% | 0.934 | 79% | 0.789 | S | S | * | * | trans | -70 | 109.9 | 137.5 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 95 | A | 38.1 | Very low | 45.1 | Very low | 85 Ų | 85 | 139.1 Ų | 139.1 | 70% | 0.702 | 78% | 0.778 | S | S | * | * | trans | -150.7 | 95.7 | 162 | 0 | 0 | 0 | 0 | 0 | 109.9 | A93 L97 | A93-A95 PolarHBondContact O-N 3.43Å; A95-L97 PolarHBondContact O-N 3.02Å | ||
| 96 | D | 48.4 | Very low | 46.9 | Very low | 165 Ų | 165 | 137.6 Ų | 137.6 | 88% | 0.882 | 76% | 0.764 | S | S | * | * | trans | 42.2 | 70.8 | 140.8 | -142.4 | 13 | 0 | 0 | 0 | 118 | ||||
| 97 | L | 40.3 | Very low | 48.6 | Very low | 159 Ų | 159 | 134.2 Ų | 134.2 | 83% | 0.832 | 75% | 0.747 | S | S | * | * | trans | -138.3 | 119.5 | 154.5 | -73.8 | 174.2 | 0 | 0 | 0 | 109.1 | A95 | A95-L97 PolarHBondContact O-N 3.02Š| ||
| 98 | K | 45.2 | Very low | 50.5 | Low | 188 Ų | 188 | 139.7 Ų | 139.7 | 82% | 0.817 | 75% | 0.746 | S | S | * | * | trans | -28.7 | 128.9 | 167.4 | -170.9 | 161 | -178.2 | 171.8 | 0 | 111.2 | L100 | K98-L100 PolarHBondContact O-N 3.41Š| ||
| 99 | P | 48.5 | Very low | 52.5 | Low | 118 Ų | 118 | 139.9 Ų | 139.9 | 77% | 0.766 | 74% | 0.735 | S | S | * | * | trans | -57 | 111.3 | -177.3 | 21.6 | -30.8 | 0 | 0 | 0 | 108.3 | L101 | P99-L101 PolarHBondContact O-N 2.98Š| ||
| 100 | L | 52.4 | Low | 54.3 | Low | 164 Ų | 164 | 130.9 Ų | 130.9 | 86% | 0.859 | 71% | 0.707 | S | S | * | * | trans | -61 | 114.2 | 174.2 | -73.8 | 165.7 | 0 | 0 | 0 | 105.3 | K98 P102 | K98-L100 PolarHBondContact O-N 3.41Å; L100-P102 VanDerWaalsContact O-N 3.16Å | ||
| 101 | L | 61 | Low | 56 | Low | 162 Ų | 162 | 125.6 Ų | 125.6 | 85% | 0.848 | 69% | 0.691 | S | S | * | * | trans | -48.3 | 126 | 173.2 | -70.2 | 166.5 | 0 | 0 | 0 | 107.3 | P99 D103 | P99-L101 PolarHBondContact O-N 2.98Å; L101-D103 PolarHBondContact O-N 2.9Å | ||
| 102 | P | 62.5 | Low | 57.3 | Low | 75 Ų | 75 | 124.7 Ų | 124.7 | 49% | 0.487 | 68% | 0.677 | S | S | . | * | trans | -54.2 | 130.8 | -179.1 | 19.2 | -29.6 | 0 | 0 | 0 | 108.5 | L100 F106 | L100-P102 VanDerWaalsContact O-N 3.16Å; P102-F106 HydrophobicContact CB-CD1 4.38Å | ||
| 103 | D | 64.3 | Low | 58.8 | Low | 88 Ų | 88 | 121.5 Ų | 121.5 | 47% | 0.471 | 67% | 0.665 | S | S | . | * | trans | -44.4 | 126 | -176 | -178.8 | -9.2 | 0 | 0 | 0 | 109.3 | L101 Q105 F106 N107 | L101-D103 PolarHBondContact O-N 2.9Å; D103-Q105 PolarHBondContact O-N 3.31Å; D103-Q105 PolarHBondContact OD1-N 3.35Å; D103-F106 HydrophobicContact CB-CB 4.09Å; D103-F106 WeakPolarHBondContact O-CA 3.38Å; D103-F106 WeakPolarHBondContact O-CB 3.35Å; D103-F106 PolarHBondContact O-N 3.37Å; D103-N107 PolarHBondContact O-N 2.94Å | ||
| 104 | P | 72.1 | Confident | 60 | Low | 87 Ų | 87 | 124.3 Ų | 124.3 | 57% | 0.565 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -49.5 | -28.2 | 175.9 | -28.3 | 34.1 | 0 | 0 | 0 | 113.1 | R108 | P104-R108 WeakPolarHBondContact O-CB 3.41Å; P104-R108 WeakPolarHBondContact O-CG 3.4Å; P104-R108 PolarHBondContact O-N 3.38Å |
| 105 | Q | 69.3 | Low | 61.4 | Low | 123 Ų | 123 | 120.8 Ų | 120.8 | 58% | 0.575 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -71.6 | -40.4 | 173.4 | -59.8 | -165.3 | 3.9 | 0 | 0 | 113.1 | D103 R108 R109 | D103-Q105 PolarHBondContact O-N 3.31Å; D103-Q105 PolarHBondContact OD1-N 3.35Å; Q105-R108 PolarHBondContact O-N 3.41Å; Q105-R109 WeakPolarHBondContact O-CG 3.38Å; Q105-R109 PolarHBondContact O-N 2.91Å |
| 106 | F | 73.6 | Confident | 62.2 | Low | 123 Ų | 123 | 121.9 Ų | 121.9 | 54% | 0.539 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -64.1 | -44.3 | 174.6 | -179.6 | -100.8 | 0 | 0 | 0 | 110.8 | P102 D103 R108 R109 C110 | P102-F106 HydrophobicContact CB-CD1 4.38Å; D103-F106 HydrophobicContact CB-CB 4.09Å; D103-F106 WeakPolarHBondContact O-CA 3.38Å; D103-F106 WeakPolarHBondContact O-CB 3.35Å; D103-F106 PolarHBondContact O-N 3.37Å; F106-R108 VanDerWaalsContact C-N 3.31Å; F106-R108 PolarHBondContact O-N 2.98Å; F106-R109 WeakPolarHBondContact O-CB 3.26Å; F106-R109 PolarHBondContact O-N 3.16Å; F106-R109 VanDerWaalsContact O-N 3.12Å; F106-C110 VanDerWaalsContact CE1-SG 3.55Å; F106-C110 VanDerWaalsContact CZ-SG 3.53Å; F106-C110 PolarHBondContact O-N 3.08Å; F106-C110 PolarHBondContact O-SG 3.45Å; F106-C110 VanDerWaalsContact O-SG 3.39Å |
| 107 | N | 74.2 | Confident | 63 | Low | 95 Ų | 95 | 119.5 Ų | 119.5 | 51% | 0.508 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -65.9 | -35.4 | 179 | -139.3 | -5.7 | 0 | 0 | 0 | 112 | D103 S111 | D103-N107 PolarHBondContact O-N 2.94Å; N107-S111 VanDerWaalsContact O-CB 3.3Å; N107-S111 WeakPolarHBondContact O-CB 3.38Å; N107-S111 PolarHBondContact O-N 3.14Å |
| 108 | R | 73.4 | Confident | 63.9 | Low | 187 Ų | 187 | 116.3 Ų | 116.3 | 71% | 0.706 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -64.5 | -42.3 | 170.3 | -77.1 | 172.3 | -171.4 | -160.8 | 2.7 | 112.5 | P104 Q105 F106 S111 L112 | P104-R108 WeakPolarHBondContact O-CB 3.41Å; P104-R108 WeakPolarHBondContact O-CG 3.4Å; P104-R108 PolarHBondContact O-N 3.38Å; Q105-R108 PolarHBondContact O-N 3.41Å; F106-R108 VanDerWaalsContact C-N 3.31Å; F106-R108 PolarHBondContact O-N 2.98Å; R108-S111 PolarHBondContact O-N 3.03Å; R108-L112 WeakPolarHBondContact O-CB 3.44Å; R108-L112 PolarHBondContact O-N 3.33Å |
| 109 | R | 73.3 | Confident | 64.5 | Low | 170 Ų | 170 | 116.2 Ų | 116.2 | 64% | 0.642 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -63.9 | -46.3 | 176.7 | -74.1 | 174.9 | -179.3 | -159.8 | 1 | 111.6 | Q105 F106 S111 L112 I113 | Q105-R109 WeakPolarHBondContact O-CG 3.38Å; Q105-R109 PolarHBondContact O-N 2.91Å; F106-R109 WeakPolarHBondContact O-CB 3.26Å; F106-R109 PolarHBondContact O-N 3.16Å; F106-R109 VanDerWaalsContact O-N 3.12Å; R109-S111 VanDerWaalsContact C-N 3.34Å; R109-S111 PolarHBondContact O-N 3.26Å; R109-L112 WeakPolarHBondContact O-CB 3.29Å; R109-L112 PolarHBondContact O-N 2.93Å; R109-L112 VanDerWaalsContact O-N 3.15Å; R109-I113 WeakPolarHBondContact O-CD1 3.19Å; R109-I113 VanDerWaalsContact O-CG1 3.26Å; R109-I113 WeakPolarHBondContact O-CG1 3.3Å; R109-I113 PolarHBondContact O-N 3.33Å |
| 110 | C | 67.3 | Low | 65.3 | Low | 46 Ų | 46 | 115.6 Ų | 115.6 | 31% | 0.311 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -61.6 | -42 | 175 | -66.8 | 0 | 0 | 0 | 0 | 111.5 | F106 L112 I113 L114 | F106-C110 VanDerWaalsContact CE1-SG 3.55Å; F106-C110 VanDerWaalsContact CZ-SG 3.53Å; F106-C110 PolarHBondContact O-N 3.08Å; F106-C110 PolarHBondContact O-SG 3.45Å; F106-C110 VanDerWaalsContact O-SG 3.39Å; C110-L112 VanDerWaalsContact C-N 3.29Å; C110-L112 PolarHBondContact O-N 3.49Å; C110-I113 PolarHBondContact O-N 2.99Å; C110-L114 WeakPolarHBondContact O-CB 3.31Å; C110-L114 PolarHBondContact O-N 3.41Å |
| 111 | S | 67.8 | Low | 66.3 | Low | 80 Ų | 80 | 111 Ų | 111 | 56% | 0.559 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.3 | -31.4 | 174.4 | -176.6 | 0 | 0 | 0 | 0 | 113.3 | N107 R108 R109 S115 | N107-S111 VanDerWaalsContact O-CB 3.3Å; N107-S111 WeakPolarHBondContact O-CB 3.38Å; N107-S111 PolarHBondContact O-N 3.14Å; R108-S111 PolarHBondContact O-N 3.03Å; R109-S111 VanDerWaalsContact C-N 3.34Å; R109-S111 PolarHBondContact O-N 3.26Å; S111-S115 WeakPolarHBondContact O-CB 3.4Å; S111-S115 PolarHBondContact O-N 2.76Å; S111-S115 VanDerWaalsContact O-N 3.16Å |
| 112 | L | 66.7 | Low | 66.3 | Low | 93 Ų | 93 | 108 Ų | 108 | 49% | 0.487 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -70.6 | -43.8 | 176.3 | -137.3 | 110.8 | 0 | 0 | 0 | 110.7 | R108 R109 C110 L114 S115 H118 | R108-L112 WeakPolarHBondContact O-CB 3.44Å; R108-L112 PolarHBondContact O-N 3.33Å; R109-L112 WeakPolarHBondContact O-CB 3.29Å; R109-L112 PolarHBondContact O-N 2.93Å; R109-L112 VanDerWaalsContact O-N 3.15Å; C110-L112 VanDerWaalsContact C-N 3.29Å; C110-L112 PolarHBondContact O-N 3.49Å; L112-L114 VanDerWaalsContact C-N 3.33Å; L112-L114 PolarHBondContact O-N 3.15Å; L112-S115 PolarHBondContact O-N 3.39Å; L112-S115 PolarHBondContact O-OG 3.08Å; L112-H118 WeakPolarHBondContact CD2-NE2 3.27Å |
| 113 | I | 64.9 | Low | 66.2 | Low | 137 Ų | 137 | 110.7 Ų | 110.7 | 70% | 0.703 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66.8 | -34.8 | 178 | -64.1 | 162.7 | 0 | 0 | 0 | 111.2 | R109 C110 S115 | R109-I113 WeakPolarHBondContact O-CD1 3.19Å; R109-I113 VanDerWaalsContact O-CG1 3.26Å; R109-I113 WeakPolarHBondContact O-CG1 3.3Å; R109-I113 PolarHBondContact O-N 3.33Å; C110-I113 PolarHBondContact O-N 2.99Å; I113-S115 VanDerWaalsContact C-N 3.33Å |
| 114 | L | 60.2 | Low | 66.4 | Low | 153 Ų | 153 | 112.9 Ų | 112.9 | 80% | 0.801 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -3.2 | 178 | -135.9 | 75.7 | 0 | 0 | 0 | 113.6 | C110 L112 D116 | C110-L114 WeakPolarHBondContact O-CB 3.31Å; C110-L114 PolarHBondContact O-N 3.41Å; L112-L114 VanDerWaalsContact C-N 3.33Å; L112-L114 PolarHBondContact O-N 3.15Å; L114-D116 PolarHBondContact O-N 3.47Å |
| 115 | S | 65.2 | Low | 66.2 | Low | 38 Ų | 38 | 114.5 Ų | 114.5 | 27% | 0.266 | 55% | 0.55 | S | S | . | * | trans | -79.5 | 117.7 | 178.9 | 71.9 | 0 | 0 | 0 | 0 | 110.3 | S111 L112 I113 V117 H118 Y119 | S111-S115 WeakPolarHBondContact O-CB 3.4Å; S111-S115 PolarHBondContact O-N 2.76Å; S111-S115 VanDerWaalsContact O-N 3.16Å; L112-S115 PolarHBondContact O-N 3.39Å; L112-S115 PolarHBondContact O-OG 3.08Å; I113-S115 VanDerWaalsContact C-N 3.33Å; S115-V117 PolarHBondContact O-N 2.86Å; S115-H118 PolarHBondContact O-N 3.45Å; S115-H118 VanDerWaalsContact O-N 3.08Å; S115-Y119 PolarHBondContact O-N 3.47Å | ||
| 116 | D | 56.4 | Low | 65.8 | Low | 109 Ų | 109 | 114 Ų | 114 | 58% | 0.583 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -54 | -24.8 | 176.4 | -88 | -1.7 | 0 | 0 | 0 | 113.3 | L114 K120 | L114-D116 PolarHBondContact O-N 3.47Å; D116-K120 WeakPolarHBondContact O-CB 3.5Å; D116-K120 WeakPolarHBondContact O-CG 3.43Å; D116-K120 PolarHBondContact O-N 3.33Å |
| 117 | V | 64.2 | Low | 65 | Low | 114 Ų | 114 | 116 Ų | 116 | 69% | 0.691 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.6 | -46.6 | 178 | 179.6 | 0 | 0 | 0 | 0 | 110.8 | S115 K120 E121 | S115-V117 PolarHBondContact O-N 2.86Å; V117-K120 PolarHBondContact O-N 2.91Å; V117-E121 VanDerWaalsContact O-CB 3.27Å; V117-E121 WeakPolarHBondContact O-CB 3.47Å; V117-E121 PolarHBondContact O-N 3.47Å |
| 118 | H | 60.2 | Low | 64 | Low | 92 Ų | 92 | 114.9 Ų | 114.9 | 43% | 0.426 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -72.2 | -34.6 | 179 | -119.9 | 30.5 | 0 | 0 | 0 | 112.1 | L112 S115 K120 E121 | L112-H118 WeakPolarHBondContact CD2-NE2 3.27Å; S115-H118 PolarHBondContact O-N 3.45Å; S115-H118 VanDerWaalsContact O-N 3.08Å; H118-K120 VanDerWaalsContact C-N 3.35Å; H118-E121 IonicContact CE1-OE2 2.72Å; H118-E121 PolarHBondContact CE1-OE2 2.87Å; H118-E121 IonicContact CG-OE2 2.58Å; H118-E121 IonicContact ND1-OE2 2.76Å; H118-E121 PolarHBondContact ND1-OE2 3.5Å; H118-E121 PolarHBondContact O-N 3.42Å |
| 119 | Y | 57.8 | Low | 62.8 | Low | 186 Ų | 186 | 112.9 Ų | 112.9 | 73% | 0.729 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -65 | -38.5 | 175.6 | 179.4 | -101 | 0 | 0 | 0 | 112.3 | S115 | S115-Y119 PolarHBondContact O-N 3.47Å |
| 120 | K | 65.1 | Low | 61.3 | Low | 106 Ų | 106 | 110 Ų | 110 | 46% | 0.461 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -85.3 | -19.3 | 178.3 | -70.1 | 177 | -178.4 | 172.5 | 0 | 113.5 | D116 V117 H118 D122 F123 E124 | D116-K120 WeakPolarHBondContact O-CB 3.5Å; D116-K120 WeakPolarHBondContact O-CG 3.43Å; D116-K120 PolarHBondContact O-N 3.33Å; V117-K120 PolarHBondContact O-N 2.91Å; H118-K120 VanDerWaalsContact C-N 3.35Å; K120-D122 VanDerWaalsContact C-N 3.33Å; K120-D122 PolarHBondContact O-N 3.42Å; K120-F123 CarbonylContact O-C 3.59Å; K120-F123 WeakPolarHBondContact O-CB 3.4Å; K120-F123 PolarHBondContact O-N 2.87Å; K120-E124 WeakPolarHBondContact O-CB 3.43Å; K120-E124 WeakPolarHBondContact O-CG 3.21Å; K120-E124 PolarHBondContact O-N 2.78Å |
| 121 | E | 72.4 | Confident | 60.4 | Low | 67 Ų | 67 | 114.3 Ų | 114.3 | 31% | 0.313 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -60 | -42.5 | 178.4 | -171.2 | -180 | 166.7 | 0 | 0 | 111.8 | V117 H118 E124 K125 | V117-E121 VanDerWaalsContact O-CB 3.27Å; V117-E121 WeakPolarHBondContact O-CB 3.47Å; V117-E121 PolarHBondContact O-N 3.47Å; H118-E121 IonicContact CE1-OE2 2.72Å; H118-E121 PolarHBondContact CE1-OE2 2.87Å; H118-E121 IonicContact CG-OE2 2.58Å; H118-E121 IonicContact ND1-OE2 2.76Å; H118-E121 PolarHBondContact ND1-OE2 3.5Å; H118-E121 PolarHBondContact O-N 3.42Å; E121-E124 PolarHBondContact O-N 3.19Å; E121-K125 HydrophobicContact CG-CD 4.27Å; E121-K125 VanDerWaalsContact O-CB 3.31Å; E121-K125 WeakPolarHBondContact O-CB 3.41Å; E121-K125 WeakPolarHBondContact O-CG 3.33Å; E121-K125 PolarHBondContact O-N 3.33Å; E121-K125 VanDerWaalsContact OE1-CE 3.32Å; E121-K125 WeakPolarHBondContact OE1-CE 3.27Å; E121-K125 IonicContact OE1-NZ 2.78Å; E121-K125 PolarHBondContact OE1-NZ 3Å |
| 122 | D | 61.1 | Low | 59.3 | Low | 100 Ų | 100 | 117.2 Ų | 117.2 | 54% | 0.535 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -70.7 | -34.3 | 176.9 | -71.1 | -18.4 | 0 | 0 | 0 | 112.1 | K120 M126 | K120-D122 VanDerWaalsContact C-N 3.33Å; K120-D122 PolarHBondContact O-N 3.42Å; D122-M126 WeakPolarHBondContact O-CB 3.42Å; D122-M126 PolarHBondContact O-N 3.37Å |
| 123 | F | 61.8 | Low | 58.6 | Low | 130 Ų | 130 | 117.5 Ų | 117.5 | 57% | 0.57 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -67.3 | -43.3 | 173.5 | 179.4 | -98.9 | 0 | 0 | 0 | 111.9 | K120 M126 K127 | K120-F123 CarbonylContact O-C 3.59Å; K120-F123 WeakPolarHBondContact O-CB 3.4Å; K120-F123 PolarHBondContact O-N 2.87Å; F123-M126 PolarHBondContact O-N 2.94Å; F123-K127 HydrophobicContact CE1-CD 4.33Å; F123-K127 WeakPolarHBondContact O-CB 3.38Å; F123-K127 PolarHBondContact O-N 3.29Å |
| 124 | E | 67.3 | Low | 58.1 | Low | 135 Ų | 135 | 113.3 Ų | 113.3 | 63% | 0.631 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -69.5 | -36.5 | 176.8 | -72.6 | -171.1 | 175.2 | 0 | 0 | 112 | K120 E121 M126 K127 G128 | K120-E124 WeakPolarHBondContact O-CB 3.43Å; K120-E124 WeakPolarHBondContact O-CG 3.21Å; K120-E124 PolarHBondContact O-N 2.78Å; E121-E124 PolarHBondContact O-N 3.19Å; E124-M126 VanDerWaalsContact C-N 3.34Å; E124-M126 PolarHBondContact O-N 2.88Å; E124-K127 PolarHBondContact O-N 3.22Å; E124-G128 PolarHBondContact O-N 3.33Å |
| 125 | K | 68.3 | Low | 58.1 | Low | 120 Ų | 120 | 108 Ų | 108 | 52% | 0.522 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62 | -39.5 | 170.7 | -77.8 | 170.3 | -174.8 | 164 | 0 | 112.1 | E121 | E121-K125 HydrophobicContact CG-CD 4.27Å; E121-K125 VanDerWaalsContact O-CB 3.31Å; E121-K125 WeakPolarHBondContact O-CB 3.41Å; E121-K125 WeakPolarHBondContact O-CG 3.33Å; E121-K125 PolarHBondContact O-N 3.33Å; E121-K125 VanDerWaalsContact OE1-CE 3.32Å; E121-K125 WeakPolarHBondContact OE1-CE 3.27Å; E121-K125 IonicContact OE1-NZ 2.78Å; E121-K125 PolarHBondContact OE1-NZ 3Å |
| 126 | M | 60.1 | Low | 58.3 | Low | 112 Ų | 112 | 110.2 Ų | 110.2 | 55% | 0.552 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -74.8 | -29.8 | 175.2 | -80.5 | -166.6 | -76.8 | 0 | 0 | 113.2 | D122 F123 E124 G128 Q129 | D122-M126 WeakPolarHBondContact O-CB 3.42Å; D122-M126 PolarHBondContact O-N 3.37Å; F123-M126 PolarHBondContact O-N 2.94Å; E124-M126 VanDerWaalsContact C-N 3.34Å; E124-M126 PolarHBondContact O-N 2.88Å; M126-G128 VanDerWaalsContact C-N 3.26Å; M126-G128 PolarHBondContact O-N 2.84Å; M126-Q129 PolarHBondContact O-N 3.3Å |
| 127 | K | 58.2 | Low | 58.7 | Low | 166 Ų | 166 | 112.9 Ų | 112.9 | 72% | 0.722 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -66.2 | -27.3 | 179.2 | -159.6 | 178.2 | -177.7 | -174.8 | 0 | 113 | F123 E124 | F123-K127 HydrophobicContact CE1-CD 4.33Å; F123-K127 WeakPolarHBondContact O-CB 3.38Å; F123-K127 PolarHBondContact O-N 3.29Å; E124-K127 PolarHBondContact O-N 3.22Å |
| 128 | G | 51.4 | Low | 59.3 | Low | 71 Ų | 71 | 111.6 Ų | 111.6 | 73% | 0.732 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | -14.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | E124 M126 | E124-G128 PolarHBondContact O-N 3.33Å; M126-G128 VanDerWaalsContact C-N 3.26Å; M126-G128 PolarHBondContact O-N 2.84Å |
| 129 | Q | 49.7 | Very low | 60 | Low | 146 Ų | 146 | 110.9 Ų | 110.9 | 68% | 0.682 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -95.5 | 97.2 | 170.7 | -82.8 | 179.2 | -8.3 | 0 | 0 | 108.2 | M126 L131 | M126-Q129 PolarHBondContact O-N 3.3Å; Q129-L131 PolarHBondContact O-N 3.12Å |
| 130 | S | 41.9 | Very low | 60.6 | Low | 108 Ų | 108 | 107.7 Ų | 107.7 | 76% | 0.755 | 57% | 0.573 | S | S | * | * | trans | -44 | 105.8 | 162.6 | 168.6 | 0 | 0 | 0 | 0 | 108.9 | F132 | S130-F132 PolarHBondContact O-N 2.85Š| ||
| 131 | L | 47.9 | Very low | 61.1 | Low | 137 Ų | 137 | 105.4 Ų | 105.4 | 72% | 0.717 | 57% | 0.571 | S | S | * | * | trans | -71 | 66.3 | 164.5 | -94.8 | 146.8 | 0 | 0 | 0 | 106.9 | Q129 V133 | Q129-L131 PolarHBondContact O-N 3.12Å; L131-V133 HydrophobicContact CB-CG2 4.44Å; L131-V133 HydrophobicContact CD2-CG2 3.63Å; L131-V133 PolarHBondContact O-N 3.03Å | ||
| 132 | F | 45.1 | Very low | 61.3 | Low | 141 Ų | 141 | 109.1 Ų | 109.1 | 62% | 0.618 | 58% | 0.582 | S | S | * | * | trans | -68.2 | 78.9 | 152 | -173.1 | -97.5 | 0 | 0 | 0 | 106 | S130 P134 L138 | S130-F132 PolarHBondContact O-N 2.85Å; F132-P134 HydrophobicContact CD1-CB 4.31Å; F132-P134 HydrophobicContact CD1-CG 3.93Å; F132-P134 HydrophobicContact CE1-CB 3.8Å; F132-P134 HydrophobicContact CE1-CG 3.85Å; F132-P134 WeakPolarHBondContact O-CD 3.42Å; F132-L138 HydrophobicContact CE1-CD2 4.09Å; F132-L138 HydrophobicContact CZ-CD2 4.02Å | ||
| 133 | V | 52.5 | Low | 62.1 | Low | 100 Ų | 100 | 108.7 Ų | 108.7 | 61% | 0.606 | 58% | 0.58 | S | S | * | * | trans | -67.8 | 107.7 | 158.1 | 179.8 | 0 | 0 | 0 | 0 | 103.3 | L131 G135 | L131-V133 HydrophobicContact CB-CG2 4.44Å; L131-V133 HydrophobicContact CD2-CG2 3.63Å; L131-V133 PolarHBondContact O-N 3.03Å; V133-G135 PolarHBondContact O-N 3.46Å | ||
| 134 | P | 53.8 | Low | 62.8 | Low | 48 Ų | 48 | 105.8 Ų | 105.8 | 31% | 0.312 | 57% | 0.569 | S | S | . | * | trans | -57.3 | 120.3 | 176.7 | -16.1 | 30.6 | 0 | 0 | 0 | 105.6 | F132 L138 I139 | F132-P134 HydrophobicContact CD1-CB 4.31Å; F132-P134 HydrophobicContact CD1-CG 3.93Å; F132-P134 HydrophobicContact CE1-CB 3.8Å; F132-P134 HydrophobicContact CE1-CG 3.85Å; F132-P134 WeakPolarHBondContact O-CD 3.42Å; P134-L138 HydrophobicContact CB-CB 4.19Å; P134-L138 HydrophobicContact CB-CD2 3.85Å; P134-I139 HydrophobicContact CB-CD1 4.47Å; P134-I139 HydrophobicContact CB-CG1 3.92Å; P134-I139 VanDerWaalsContact O-CD1 3.3Å; P134-I139 WeakPolarHBondContact O-CD1 3.47Å; P134-I139 WeakPolarHBondContact O-CG1 3.39Å | ||
| 135 | G | 60 | Low | 63 | Low | 43 Ų | 43 | 103 Ų | 103 | 44% | 0.443 | 57% | 0.565 | S | S | . | * | trans | -48.8 | 148.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | V133 E137 L138 I139 | V133-G135 PolarHBondContact O-N 3.46Å; G135-E137 CarbonylContact O-C 3.53Å; G135-E137 PolarHBondContact O-N 3.44Å; G135-L138 WeakPolarHBondContact O-CA 3.17Å; G135-L138 WeakPolarHBondContact O-CB 3.46Å; G135-L138 PolarHBondContact O-N 2.9Å; G135-I139 PolarHBondContact O-N 2.92Å; G135-I139 VanDerWaalsContact O-N 3.09Å | ||
| 136 | A | 68.9 | Low | 63.2 | Low | 84 Ų | 84 | 99.2 Ų | 99.2 | 69% | 0.694 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -49.3 | -32.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I139 H140 | A136-I139 PolarHBondContact O-N 2.85Å; A136-H140 WeakPolarHBondContact O-CB 3.49Å; A136-H140 PolarHBondContact O-N 2.92Å |
| 137 | E | 66.1 | Low | 63.8 | Low | 165 Ų | 165 | 99.7 Ų | 99.7 | 77% | 0.771 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -66.6 | -38.7 | 173.4 | -58 | -172.3 | 175.7 | 0 | 0 | 114.4 | G135 H140 S141 | G135-E137 CarbonylContact O-C 3.53Å; G135-E137 PolarHBondContact O-N 3.44Å; E137-H140 PolarHBondContact O-N 3.47Å; E137-S141 VanDerWaalsContact O-CB 3.3Å; E137-S141 WeakPolarHBondContact O-CB 3.33Å; E137-S141 PolarHBondContact O-N 3.44Å; E137-S141 PolarHBondContact O-OG 2.95Å |
| 138 | L | 75 | Confident | 64.5 | Low | 87 Ų | 87 | 97.9 Ų | 97.9 | 46% | 0.455 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -71.2 | -35.5 | 176.3 | -149.1 | 104.5 | 0 | 0 | 0 | 111.3 | F132 P134 G135 S141 R142 | F132-L138 HydrophobicContact CE1-CD2 4.09Å; F132-L138 HydrophobicContact CZ-CD2 4.02Å; P134-L138 HydrophobicContact CB-CB 4.19Å; P134-L138 HydrophobicContact CB-CD2 3.85Å; G135-L138 WeakPolarHBondContact O-CA 3.17Å; G135-L138 WeakPolarHBondContact O-CB 3.46Å; G135-L138 PolarHBondContact O-N 2.9Å; L138-S141 WeakPolarHBondContact CA-OG 3.47Å; L138-S141 PolarHBondContact O-OG 3.3Å; L138-S141 VanDerWaalsContact O-OG 3.1Å; L138-R142 WeakPolarHBondContact O-CB 3.26Å; L138-R142 PolarHBondContact O-N 3.01Å; L138-R142 VanDerWaalsContact O-N 3.09Å |
| 139 | I | 76 | Confident | 65.5 | Low | 77 Ų | 77 | 96 Ų | 96 | 40% | 0.395 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.7 | -45.5 | 172.4 | -60.3 | 177.8 | 0 | 0 | 0 | 109.6 | P134 G135 A136 R142 N143 | P134-I139 HydrophobicContact CB-CD1 4.47Å; P134-I139 HydrophobicContact CB-CG1 3.92Å; P134-I139 VanDerWaalsContact O-CD1 3.3Å; P134-I139 WeakPolarHBondContact O-CD1 3.47Å; P134-I139 WeakPolarHBondContact O-CG1 3.39Å; G135-I139 PolarHBondContact O-N 2.92Å; G135-I139 VanDerWaalsContact O-N 3.09Å; A136-I139 PolarHBondContact O-N 2.85Å; I139-R142 PolarHBondContact O-N 3.05Å; I139-N143 WeakPolarHBondContact O-CB 3.42Å; I139-N143 PolarHBondContact O-N 3.22Å; I139-N143 PolarHBondContact O-ND2 2.97Å |
| 140 | H | 69.3 | Low | 66.3 | Low | 119 Ų | 119 | 94.8 Ų | 94.8 | 55% | 0.551 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.6 | -48.7 | -180 | -172.9 | 58 | 0 | 0 | 0 | 112 | A136 E137 R142 N143 I144 | A136-H140 WeakPolarHBondContact O-CB 3.49Å; A136-H140 PolarHBondContact O-N 2.92Å; E137-H140 PolarHBondContact O-N 3.47Å; H140-R142 VanDerWaalsContact C-N 3.32Å; H140-R142 PolarHBondContact O-N 3.05Å; H140-N143 PolarHBondContact O-N 3.12Å; H140-I144 VanDerWaalsContact CD2-CD1 3.45Å; H140-I144 WeakPolarHBondContact CD2-CD1 3.25Å; H140-I144 WeakPolarHBondContact NE2-CD1 3.42Å; H140-I144 WeakPolarHBondContact O-CB 3.32Å; H140-I144 VanDerWaalsContact O-CG1 3.27Å; H140-I144 WeakPolarHBondContact O-CG1 3.13Å; H140-I144 PolarHBondContact O-N 2.81Å |
| 141 | S | 76.3 | Confident | 67.7 | Low | 58 Ų | 58 | 94.5 Ų | 94.5 | 41% | 0.406 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.6 | -37 | 176.3 | 57.3 | 0 | 0 | 0 | 0 | 112.6 | E137 L138 S145 | E137-S141 VanDerWaalsContact O-CB 3.3Å; E137-S141 WeakPolarHBondContact O-CB 3.33Å; E137-S141 PolarHBondContact O-N 3.44Å; E137-S141 PolarHBondContact O-OG 2.95Å; L138-S141 WeakPolarHBondContact CA-OG 3.47Å; L138-S141 PolarHBondContact O-OG 3.3Å; L138-S141 VanDerWaalsContact O-OG 3.1Å; S141-S145 VanDerWaalsContact O-CB 3.27Å; S141-S145 WeakPolarHBondContact O-CB 3.48Å; S141-S145 PolarHBondContact O-N 2.97Å; S141-S145 PolarHBondContact O-OG 2.71Å |
| 142 | R | 77.7 | Confident | 68.6 | Low | 144 Ų | 144 | 95 Ų | 95 | 54% | 0.543 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.6 | -40.3 | 174.3 | -171.7 | 174 | -175.5 | 148.7 | -2.5 | 112.1 | L138 I139 H140 S145 A146 | L138-R142 WeakPolarHBondContact O-CB 3.26Å; L138-R142 PolarHBondContact O-N 3.01Å; L138-R142 VanDerWaalsContact O-N 3.09Å; I139-R142 PolarHBondContact O-N 3.05Å; H140-R142 VanDerWaalsContact C-N 3.32Å; H140-R142 PolarHBondContact O-N 3.05Å; R142-S145 PolarHBondContact O-N 3.42Å; R142-A146 WeakPolarHBondContact O-CB 3.29Å; R142-A146 PolarHBondContact O-N 2.82Å |
| 143 | N | 77.8 | Confident | 69.6 | Low | 92 Ų | 92 | 97.1 Ų | 97.1 | 49% | 0.492 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68.5 | -44 | 176.4 | -72.5 | -16.9 | 0 | 0 | 0 | 111.4 | I139 H140 S145 A146 V147 | I139-N143 WeakPolarHBondContact O-CB 3.42Å; I139-N143 PolarHBondContact O-N 3.22Å; I139-N143 PolarHBondContact O-ND2 2.97Å; H140-N143 PolarHBondContact O-N 3.12Å; N143-S145 VanDerWaalsContact C-N 3.35Å; N143-S145 PolarHBondContact O-N 2.97Å; N143-A146 PolarHBondContact O-N 2.91Å; N143-V147 VanDerWaalsContact O-CG2 3.3Å; N143-V147 WeakPolarHBondContact O-CG2 3.48Å; N143-V147 PolarHBondContact O-N 3.37Å |
| 144 | I | 76.1 | Confident | 70.6 | Confident | 69 Ų | 69 | 97.9 Ų | 97.9 | 35% | 0.354 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -58.7 | -48.3 | 173.1 | -71.5 | 167.5 | 0 | 0 | 0 | 110.1 | H140 A146 V147 I148 | H140-I144 VanDerWaalsContact CD2-CD1 3.45Å; H140-I144 WeakPolarHBondContact CD2-CD1 3.25Å; H140-I144 WeakPolarHBondContact NE2-CD1 3.42Å; H140-I144 WeakPolarHBondContact O-CB 3.32Å; H140-I144 VanDerWaalsContact O-CG1 3.27Å; H140-I144 WeakPolarHBondContact O-CG1 3.13Å; H140-I144 PolarHBondContact O-N 2.81Å; I144-A146 VanDerWaalsContact C-N 3.27Å; I144-A146 PolarHBondContact O-N 2.83Å; I144-V147 PolarHBondContact O-N 2.85Å; I144-I148 HydrophobicContact CG2-CD1 3.4Å; I144-I148 HydrophobicContact CG2-CG1 4.14Å; I144-I148 WeakPolarHBondContact O-CB 3.14Å; I144-I148 VanDerWaalsContact O-CG1 3.3Å; I144-I148 WeakPolarHBondContact O-CG1 3.24Å; I144-I148 PolarHBondContact O-N 3.39Å |
| 145 | S | 71.6 | Confident | 71.6 | Confident | 77 Ų | 77 | 99.1 Ų | 99.1 | 54% | 0.538 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61 | -37.3 | 177.6 | -61.2 | 0 | 0 | 0 | 0 | 112 | S141 R142 N143 S149 | S141-S145 VanDerWaalsContact O-CB 3.27Å; S141-S145 WeakPolarHBondContact O-CB 3.48Å; S141-S145 PolarHBondContact O-N 2.97Å; S141-S145 PolarHBondContact O-OG 2.71Å; R142-S145 PolarHBondContact O-N 3.42Å; N143-S145 VanDerWaalsContact C-N 3.35Å; N143-S145 PolarHBondContact O-N 2.97Å; S145-S149 WeakPolarHBondContact O-CB 3.27Å; S145-S149 PolarHBondContact O-N 2.88Å; S145-S149 PolarHBondContact O-OG 3.39Å |
| 146 | A | 72.3 | Confident | 71.6 | Confident | 40 Ų | 40 | 100.8 Ų | 100.8 | 33% | 0.331 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -68 | -40.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | R142 N143 I144 S149 | R142-A146 WeakPolarHBondContact O-CB 3.29Å; R142-A146 PolarHBondContact O-N 2.82Å; N143-A146 PolarHBondContact O-N 2.91Å; I144-A146 VanDerWaalsContact C-N 3.27Å; I144-A146 PolarHBondContact O-N 2.83Å; A146-S149 PolarHBondContact O-OG 3.45Å |
| 147 | V | 72.6 | Confident | 71.4 | Confident | 121 Ų | 121 | 98.9 Ų | 98.9 | 73% | 0.733 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -70.5 | -39.9 | 178 | 171.8 | 0 | 0 | 0 | 0 | 111.7 | N143 I144 | N143-V147 VanDerWaalsContact O-CG2 3.3Å; N143-V147 WeakPolarHBondContact O-CG2 3.48Å; N143-V147 PolarHBondContact O-N 3.37Å; I144-V147 PolarHBondContact O-N 2.85Å |
| 148 | I | 72.1 | Confident | 71.4 | Confident | 128 Ų | 128 | 99.1 Ų | 99.1 | 66% | 0.656 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -81.4 | -20.4 | -178.8 | -63 | 178.5 | 0 | 0 | 0 | 111.8 | I144 E150 | I144-I148 HydrophobicContact CG2-CD1 3.4Å; I144-I148 HydrophobicContact CG2-CG1 4.14Å; I144-I148 WeakPolarHBondContact O-CB 3.14Å; I144-I148 VanDerWaalsContact O-CG1 3.3Å; I144-I148 WeakPolarHBondContact O-CG1 3.24Å; I144-I148 PolarHBondContact O-N 3.39Å; I148-E150 PolarHBondContact O-N 2.97Å |
| 149 | S | 72.1 | Confident | 71 | Confident | 33 Ų | 33 | 100.6 Ų | 100.6 | 23% | 0.231 | 51% | 0.509 | C | S | . | . | trans | -62.1 | 109.4 | -178.7 | 63.4 | 0 | 0 | 0 | 0 | 112 | S145 A146 T151 R152 Y153 | S145-S149 WeakPolarHBondContact O-CB 3.27Å; S145-S149 PolarHBondContact O-N 2.88Å; S145-S149 PolarHBondContact O-OG 3.39Å; A146-S149 PolarHBondContact O-OG 3.45Å; S149-T151 PolarHBondContact O-N 3.18Å; S149-T151 VanDerWaalsContact O-N 3.13Å; S149-R152 PolarHBondContact O-N 2.69Å; S149-R152 VanDerWaalsContact O-N 3.07Å; S149-R152 VanDerWaalsContact OG-CB 3.29Å; S149-R152 WeakPolarHBondContact OG-CB 3.44Å; S149-R152 WeakPolarHBondContact OG-CG 3.43Å; S149-Y153 PolarHBondContact O-N 2.66Å; S149-Y153 VanDerWaalsContact O-N 3.15Å | ||
| 150 | E | 66.5 | Low | 70.2 | Confident | 119 Ų | 119 | 99 Ų | 99 | 56% | 0.556 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -57.2 | -30.5 | 179.5 | -168.7 | -174.9 | 165.2 | 0 | 0 | 112.2 | I148 Y153 K154 | I148-E150 PolarHBondContact O-N 2.97Å; E150-Y153 PolarHBondContact O-N 3.05Å; E150-K154 HydrophobicContact CG-CD 4.16Å; E150-K154 WeakPolarHBondContact O-CB 3.46Å; E150-K154 WeakPolarHBondContact O-CG 3.38Å; E150-K154 PolarHBondContact O-N 2.81Å; E150-K154 WeakPolarHBondContact OE1-CE 3.3Å; E150-K154 IonicContact OE1-NZ 2.67Å; E150-K154 PolarHBondContact OE1-NZ 3.36Å |
| 151 | T | 72.2 | Confident | 69.7 | Low | 103 Ų | 103 | 98.2 Ų | 98.2 | 63% | 0.632 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.1 | -44.6 | 176.8 | 53.4 | 0 | 0 | 0 | 0 | 112.1 | S149 E155 | S149-T151 PolarHBondContact O-N 3.18Å; S149-T151 VanDerWaalsContact O-N 3.13Å; T151-E155 VanDerWaalsContact O-CB 3.25Å; T151-E155 WeakPolarHBondContact O-CB 3.41Å; T151-E155 PolarHBondContact O-N 3.3Å |
| 152 | R | 67.1 | Low | 68.8 | Low | 148 Ų | 148 | 98.9 Ų | 98.9 | 56% | 0.558 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.8 | -37.7 | 175.4 | -69 | -80.4 | -143.7 | 165 | 9.3 | 111.3 | S149 E155 S156 | S149-R152 PolarHBondContact O-N 2.69Å; S149-R152 VanDerWaalsContact O-N 3.07Å; S149-R152 VanDerWaalsContact OG-CB 3.29Å; S149-R152 WeakPolarHBondContact OG-CB 3.44Å; S149-R152 WeakPolarHBondContact OG-CG 3.43Å; R152-E155 PolarHBondContact O-N 2.98Å; R152-S156 VanDerWaalsContact O-CB 3.26Å; R152-S156 WeakPolarHBondContact O-CB 3.17Å; R152-S156 PolarHBondContact O-N 2.71Å; R152-S156 PolarHBondContact O-OG 3.46Å |
| 153 | Y | 66.3 | Low | 67.7 | Low | 185 Ų | 185 | 97 Ų | 97 | 73% | 0.725 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.2 | -49.2 | 175.7 | 179.8 | -100.4 | 0 | 0 | 0 | 111.5 | S149 E150 E155 S156 G157 | S149-Y153 PolarHBondContact O-N 2.66Å; S149-Y153 VanDerWaalsContact O-N 3.15Å; E150-Y153 PolarHBondContact O-N 3.05Å; Y153-E155 PolarHBondContact O-N 3.35Å; Y153-S156 PolarHBondContact O-N 3.22Å; Y153-G157 PolarHBondContact O-N 2.66Å |
| 154 | K | 73.6 | Confident | 66.7 | Low | 115 Ų | 115 | 94.6 Ų | 94.6 | 50% | 0.5 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.7 | -36.8 | 176 | -74.8 | 175.4 | 169.6 | 170.7 | 0 | 112.7 | E150 R158 | E150-K154 HydrophobicContact CG-CD 4.16Å; E150-K154 WeakPolarHBondContact O-CB 3.46Å; E150-K154 WeakPolarHBondContact O-CG 3.38Å; E150-K154 PolarHBondContact O-N 2.81Å; E150-K154 WeakPolarHBondContact OE1-CE 3.3Å; E150-K154 IonicContact OE1-NZ 2.67Å; E150-K154 PolarHBondContact OE1-NZ 3.36Å; K154-R158 WeakPolarHBondContact O-CB 3.42Å; K154-R158 VanDerWaalsContact O-CG 3.31Å; K154-R158 WeakPolarHBondContact O-CG 3.17Å; K154-R158 PolarHBondContact O-N 3.38Å; K154-R158 PolarHBondContact O-NE 2.81Å |
| 155 | E | 73.3 | Confident | 65.8 | Low | 75 Ų | 75 | 98.6 Ų | 98.6 | 35% | 0.35 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -68.1 | -43.8 | 174.8 | -170.2 | -173.7 | 165.9 | 0 | 0 | 112.1 | T151 R152 Y153 G157 R158 K159 | T151-E155 VanDerWaalsContact O-CB 3.25Å; T151-E155 WeakPolarHBondContact O-CB 3.41Å; T151-E155 PolarHBondContact O-N 3.3Å; R152-E155 PolarHBondContact O-N 2.98Å; Y153-E155 PolarHBondContact O-N 3.35Å; E155-G157 VanDerWaalsContact C-N 3.35Å; E155-R158 PolarHBondContact O-N 3.39Å; E155-K159 WeakPolarHBondContact O-CG 3.35Å; E155-K159 PolarHBondContact O-N 3.36Å; E155-K159 WeakPolarHBondContact OE1-CE 3.18Å; E155-K159 IonicContact OE1-NZ 2.69Å; E155-K159 PolarHBondContact OE1-NZ 2.81Å |
| 156 | S | 61.5 | Low | 65.2 | Low | 78 Ų | 78 | 103 Ų | 103 | 55% | 0.545 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.4 | -38.9 | 177.5 | -55.9 | 0 | 0 | 0 | 0 | 111.4 | R152 Y153 K159 G160 | R152-S156 VanDerWaalsContact O-CB 3.26Å; R152-S156 WeakPolarHBondContact O-CB 3.17Å; R152-S156 PolarHBondContact O-N 2.71Å; R152-S156 PolarHBondContact O-OG 3.46Å; Y153-S156 PolarHBondContact O-N 3.22Å; S156-K159 PolarHBondContact O-N 2.87Å; S156-G160 PolarHBondContact O-N 2.92Å |
| 157 | G | 64.4 | Low | 64.6 | Low | 43 Ų | 43 | 103.9 Ų | 103.9 | 44% | 0.443 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -61.7 | -43.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y153 E155 K159 G160 V161 | Y153-G157 PolarHBondContact O-N 2.66Å; E155-G157 VanDerWaalsContact C-N 3.35Å; G157-K159 PolarHBondContact O-N 2.99Å; G157-G160 PolarHBondContact O-N 2.74Å; G157-V161 WeakPolarHBondContact O-CG2 3.24Å; G157-V161 PolarHBondContact O-N 3.48Å |
| 158 | R | 64.8 | Low | 64.1 | Low | 171 Ų | 171 | 104.5 Ų | 104.5 | 65% | 0.645 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -63.4 | -40.5 | 175.7 | -76.8 | -178.7 | -70.3 | -169 | 3.5 | 112.8 | K154 E155 V161 S162 | K154-R158 WeakPolarHBondContact O-CB 3.42Å; K154-R158 VanDerWaalsContact O-CG 3.31Å; K154-R158 WeakPolarHBondContact O-CG 3.17Å; K154-R158 PolarHBondContact O-N 3.38Å; K154-R158 PolarHBondContact O-NE 2.81Å; E155-R158 PolarHBondContact O-N 3.39Å; R158-V161 PolarHBondContact O-N 3.09Å; R158-S162 PolarHBondContact O-N 3.1Å; R158-S162 VanDerWaalsContact O-N 3.14Å; R158-S162 PolarHBondContact O-OG 2.93Å |
| 159 | K | 67.3 | Low | 63.9 | Low | 117 Ų | 117 | 103.8 Ų | 103.8 | 51% | 0.509 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.2 | -36.9 | 174.5 | -70.9 | 176.7 | -175.2 | 171 | 0 | 112.2 | E155 S156 G157 V161 S162 C163 | E155-K159 WeakPolarHBondContact O-CG 3.35Å; E155-K159 PolarHBondContact O-N 3.36Å; E155-K159 WeakPolarHBondContact OE1-CE 3.18Å; E155-K159 IonicContact OE1-NZ 2.69Å; E155-K159 PolarHBondContact OE1-NZ 2.81Å; S156-K159 PolarHBondContact O-N 2.87Å; G157-K159 PolarHBondContact O-N 2.99Å; K159-V161 VanDerWaalsContact C-N 3.31Å; K159-V161 PolarHBondContact O-N 3.34Å; K159-S162 WeakPolarHBondContact CA-OG 3.3Å; K159-S162 PolarHBondContact O-N 3.4Å; K159-S162 PolarHBondContact O-OG 3.24Å; K159-C163 PolarHBondContact O-N 3Å |
| 160 | G | 60 | Low | 63.8 | Low | 45 Ų | 45 | 107.1 Ų | 107.1 | 46% | 0.464 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -63.2 | -35.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | S156 G157 C163 S164 | S156-G160 PolarHBondContact O-N 2.92Å; G157-G160 PolarHBondContact O-N 2.74Å; G160-C163 PolarHBondContact O-N 3.09Å; G160-S164 PolarHBondContact O-N 3.09Å; G160-S164 VanDerWaalsContact O-N 3.13Å |
| 161 | V | 58.6 | Low | 63.7 | Low | 102 Ų | 102 | 107.4 Ų | 107.4 | 62% | 0.618 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -69.9 | -38.8 | 175.3 | 174.9 | 0 | 0 | 0 | 0 | 111.7 | G157 R158 K159 C163 S164 S167 | G157-V161 WeakPolarHBondContact O-CG2 3.24Å; G157-V161 PolarHBondContact O-N 3.48Å; R158-V161 PolarHBondContact O-N 3.09Å; K159-V161 VanDerWaalsContact C-N 3.31Å; K159-V161 PolarHBondContact O-N 3.34Å; V161-C163 VanDerWaalsContact C-N 3.31Å; V161-C163 PolarHBondContact O-N 3.01Å; V161-S164 WeakPolarHBondContact O-CB 3.33Å; V161-S164 PolarHBondContact O-N 2.84Å; V161-S164 PolarHBondContact O-OG 2.69Å; V161-S167 PolarHBondContact O-OG 3.47Å; V161-S167 VanDerWaalsContact O-OG 3.07Å |
| 162 | S | 57.6 | Low | 64 | Low | 72 Ų | 72 | 106 Ų | 106 | 50% | 0.503 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -74.5 | -16 | 175.9 | 58 | 0 | 0 | 0 | 0 | 114.8 | R158 K159 S167 | R158-S162 PolarHBondContact O-N 3.1Å; R158-S162 VanDerWaalsContact O-N 3.14Å; R158-S162 PolarHBondContact O-OG 2.93Å; K159-S162 WeakPolarHBondContact CA-OG 3.3Å; K159-S162 PolarHBondContact O-N 3.4Å; K159-S162 PolarHBondContact O-OG 3.24Å; S162-S167 VanDerWaalsContact C-OG 3.25Å; S162-S167 PolarHBondContact O-OG 3.27Å; S162-S167 VanDerWaalsContact O-OG 3.06Å |
| 163 | C | 53.4 | Low | 64.7 | Low | 103 Ų | 103 | 105.6 Ų | 105.6 | 70% | 0.696 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.8 | 5.7 | 171.9 | -67.8 | 0 | 0 | 0 | 0 | 112.3 | K159 G160 V161 | K159-C163 PolarHBondContact O-N 3Å; G160-C163 PolarHBondContact O-N 3.09Å; V161-C163 VanDerWaalsContact C-N 3.31Å; V161-C163 PolarHBondContact O-N 3.01Å |
| 164 | S | 57.6 | Low | 65 | Low | 42 Ų | 42 | 104.2 Ų | 104.2 | 29% | 0.294 | 57% | 0.566 | S | S | . | * | S | Bend | trans | -69.4 | 142.9 | 176.2 | 75.5 | 0 | 0 | 0 | 0 | 109.8 | G160 V161 Y166 S167 | G160-S164 PolarHBondContact O-N 3.09Å; G160-S164 VanDerWaalsContact O-N 3.13Å; V161-S164 WeakPolarHBondContact O-CB 3.33Å; V161-S164 PolarHBondContact O-N 2.84Å; V161-S164 PolarHBondContact O-OG 2.69Å; S164-Y166 PolarHBondContact O-N 2.82Å; S164-S167 PolarHBondContact N-OG 2.85Å; S164-S167 PolarHBondContact O-N 3.42Å; S164-S167 PolarHBondContact O-OG 2.69Å; S164-S167 PolarHBondContact OG-OG 2.92Å |
| 165 | L | 56.9 | Low | 65.3 | Low | 153 Ų | 153 | 100.2 Ų | 100.2 | 80% | 0.801 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -51.9 | -28.1 | 176.2 | -78.5 | 169.8 | 0 | 0 | 0 | 112.5 | L168 L169 | L165-L168 PolarHBondContact O-N 3.12Å; L165-L169 WeakPolarHBondContact O-CD1 3.49Å |
| 166 | Y | 58.6 | Low | 65.6 | Low | 170 Ų | 170 | 99.1 Ų | 99.1 | 67% | 0.667 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -67 | -31.6 | 176.8 | -164.5 | -104.9 | 0 | 0 | 0 | 114.1 | S164 L169 | S164-Y166 PolarHBondContact O-N 2.82Å; Y166-L169 HydrophobicContact CD2-CD1 4.45Å |
| 167 | S | 60.1 | Low | 66.5 | Low | 59 Ų | 59 | 103.3 Ų | 103.3 | 41% | 0.413 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -82.1 | -15.2 | 178.5 | 49 | 0 | 0 | 0 | 0 | 114.8 | V161 S162 S164 | V161-S167 PolarHBondContact O-OG 3.47Å; V161-S167 VanDerWaalsContact O-OG 3.07Å; S162-S167 VanDerWaalsContact C-OG 3.25Å; S162-S167 PolarHBondContact O-OG 3.27Å; S162-S167 VanDerWaalsContact O-OG 3.06Å; S164-S167 PolarHBondContact N-OG 2.85Å; S164-S167 PolarHBondContact O-N 3.42Å; S164-S167 PolarHBondContact O-OG 2.69Å; S164-S167 PolarHBondContact OG-OG 2.92Å |
| 168 | L | 63.1 | Low | 67.2 | Low | 134 Ų | 134 | 104 Ų | 104 | 70% | 0.702 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -93.6 | -11.1 | 175.9 | -96.6 | 78.9 | 0 | 0 | 0 | 113.6 | L165 | L165-L168 PolarHBondContact O-N 3.12Å |
| 169 | L | 67.8 | Low | 67.9 | Low | 112 Ų | 112 | 100.6 Ų | 100.6 | 59% | 0.586 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -67.8 | 139.4 | 178.3 | -86.9 | 147.3 | 0 | 0 | 0 | 110.5 | L165 Y166 E171 | L165-L169 WeakPolarHBondContact O-CD1 3.49Å; Y166-L169 HydrophobicContact CD2-CD1 4.45Å; L169-E171 PolarHBondContact O-N 3.38Å |
| 170 | P | 68.4 | Low | 68.6 | Low | 104 Ų | 104 | 100.3 Ų | 100.3 | 68% | 0.675 | 55% | 0.545 | S | S | * | . | trans | -54 | 135.2 | 173.8 | -23.3 | 32.4 | 0 | 0 | 0 | 110.4 | T172 | P170-T172 PolarHBondContact O-N 3.04Š| ||
| 171 | E | 64.8 | Low | 69.7 | Low | 124 Ų | 124 | 101.9 Ų | 101.9 | 58% | 0.579 | 55% | 0.546 | S | S | * | . | trans | -59.3 | 102.8 | 176.6 | -89 | 176.6 | 165.4 | 0 | 0 | 110.1 | L169 T175 V176 K179 | L169-E171 PolarHBondContact O-N 3.38Å; E171-T175 WeakPolarHBondContact CA-OG1 3.48Å; E171-V176 HydrophobicContact CB-CG2 3.92Å; E171-V176 HydrophobicContact CG-CG2 4.34Å; E171-K179 IonicContact OE1-NZ 2.69Å; E171-K179 PolarHBondContact OE1-NZ 2.82Å | ||
| 172 | T | 80 | Confident | 70.6 | Confident | 74 Ų | 74 | 100.4 Ų | 100.4 | 45% | 0.454 | 54% | 0.54 | S | S | . | . | trans | -75.8 | 153.7 | 170 | 68.7 | 0 | 0 | 0 | 0 | 108.8 | P170 E174 T175 V176 | P170-T172 PolarHBondContact O-N 3.04Å; T172-E174 PolarHBondContact O-N 3.13Å; T172-T175 PolarHBondContact N-OG1 3.42Å; T172-T175 PolarHBondContact O-N 3.43Å; T172-T175 PolarHBondContact O-OG1 2.84Å; T172-T175 WeakPolarHBondContact OG1-CG2 3.41Å; T172-T175 PolarHBondContact OG1-N 3.09Å; T172-T175 PolarHBondContact OG1-OG1 3.44Å; T172-V176 PolarHBondContact O-N 2.89Å | ||
| 173 | I | 79.8 | Confident | 71.6 | Confident | 139 Ų | 139 | 101.5 Ų | 101.5 | 71% | 0.713 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -52.9 | -31.5 | 178.8 | -64 | 163.8 | 0 | 0 | 0 | 111.7 | R177 | I173-R177 WeakPolarHBondContact O-CB 3.43Å; I173-R177 PolarHBondContact O-N 3.15Å |
| 174 | E | 74.6 | Confident | 72.5 | Confident | 157 Ų | 157 | 103.2 Ų | 103.2 | 73% | 0.734 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -71.6 | -41.5 | 176.5 | -63.5 | -179.8 | 174.3 | 0 | 0 | 112.5 | T172 R177 A178 | T172-E174 PolarHBondContact O-N 3.13Å; E174-R177 PolarHBondContact O-N 2.95Å; E174-A178 WeakPolarHBondContact O-CB 3.28Å; E174-A178 PolarHBondContact O-N 2.82Å |
| 175 | T | 78.7 | Confident | 72.9 | Confident | 31 Ų | 31 | 106 Ų | 106 | 19% | 0.19 | 56% | 0.557 | C | S | . | * | H | α-helix | trans | -67.5 | -36.3 | 175.4 | 61.5 | 0 | 0 | 0 | 0 | 112.1 | E171 T172 A178 K179 | E171-T175 WeakPolarHBondContact CA-OG1 3.48Å; T172-T175 PolarHBondContact N-OG1 3.42Å; T172-T175 PolarHBondContact O-N 3.43Å; T172-T175 PolarHBondContact O-OG1 2.84Å; T172-T175 WeakPolarHBondContact OG1-CG2 3.41Å; T172-T175 PolarHBondContact OG1-N 3.09Å; T172-T175 PolarHBondContact OG1-OG1 3.44Å; T175-A178 PolarHBondContact O-N 2.81Å; T175-K179 VanDerWaalsContact O-CG 3.31Å; T175-K179 WeakPolarHBondContact O-CG 3.33Å; T175-K179 PolarHBondContact O-N 3.29Å |
| 176 | V | 80.6 | Confident | 73.9 | Confident | 51 Ų | 51 | 100.5 Ų | 100.5 | 31% | 0.309 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.8 | -48.8 | 173.6 | 176.6 | 0 | 0 | 0 | 0 | 110 | E171 T172 A178 K179 E180 | E171-V176 HydrophobicContact CB-CG2 3.92Å; E171-V176 HydrophobicContact CG-CG2 4.34Å; T172-V176 PolarHBondContact O-N 2.89Å; V176-A178 VanDerWaalsContact C-N 3.31Å; V176-A178 PolarHBondContact O-N 3.47Å; V176-K179 WeakPolarHBondContact O-CB 3.46Å; V176-K179 PolarHBondContact O-N 3.38Å; V176-K179 VanDerWaalsContact O-N 3.14Å; V176-E180 WeakPolarHBondContact O-CG 3.31Å; V176-E180 PolarHBondContact O-N 2.91Å |
| 177 | R | 79.6 | Confident | 74.6 | Confident | 167 Ų | 167 | 100 Ų | 100 | 63% | 0.63 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -60.7 | -40 | 176.8 | -169.3 | -171.9 | -63.1 | -131.8 | 0.5 | 112.1 | I173 E174 E180 V181 | I173-R177 WeakPolarHBondContact O-CB 3.43Å; I173-R177 PolarHBondContact O-N 3.15Å; E174-R177 PolarHBondContact O-N 2.95Å; R177-E180 PolarHBondContact O-N 2.92Å; R177-V181 WeakPolarHBondContact O-CB 3.49Å; R177-V181 VanDerWaalsContact O-CG2 3.25Å; R177-V181 WeakPolarHBondContact O-CG2 3.37Å; R177-V181 PolarHBondContact O-N 3.41Å |
| 178 | A | 78.4 | Confident | 75.3 | Confident | 57 Ų | 57 | 103.7 Ų | 103.7 | 47% | 0.471 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.5 | -38.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | E174 T175 V176 S182 | E174-A178 WeakPolarHBondContact O-CB 3.28Å; E174-A178 PolarHBondContact O-N 2.82Å; T175-A178 PolarHBondContact O-N 2.81Å; V176-A178 VanDerWaalsContact C-N 3.31Å; V176-A178 PolarHBondContact O-N 3.47Å; A178-S182 WeakPolarHBondContact O-CB 3.25Å; A178-S182 PolarHBondContact O-N 3.26Å; A178-S182 PolarHBondContact O-OG 2.86Å |
| 179 | K | 79.9 | Confident | 76 | Confident | 100 Ų | 100 | 101.7 Ų | 101.7 | 44% | 0.435 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.3 | -48.5 | 172.7 | -75.1 | 178.5 | -176.4 | -174.7 | 0 | 111.3 | E171 T175 V176 V181 S182 E183 | E171-K179 IonicContact OE1-NZ 2.69Å; E171-K179 PolarHBondContact OE1-NZ 2.82Å; T175-K179 VanDerWaalsContact O-CG 3.31Å; T175-K179 WeakPolarHBondContact O-CG 3.33Å; T175-K179 PolarHBondContact O-N 3.29Å; V176-K179 WeakPolarHBondContact O-CB 3.46Å; V176-K179 PolarHBondContact O-N 3.38Å; V176-K179 VanDerWaalsContact O-N 3.14Å; K179-V181 PolarHBondContact O-N 3.18Å; K179-S182 WeakPolarHBondContact CA-OG 3.37Å; K179-S182 CarbonylContact O-C 3.55Å; K179-S182 PolarHBondContact O-N 2.75Å; K179-S182 VanDerWaalsContact O-N 3.11Å; K179-S182 PolarHBondContact O-OG 3.27Å; K179-E183 WeakPolarHBondContact O-CG 3.41Å; K179-E183 PolarHBondContact O-N 3.12Å |
| 180 | E | 82.6 | Confident | 76.3 | Confident | 110 Ų | 110 | 104.3 Ų | 104.3 | 51% | 0.514 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -57.8 | -45.6 | 176.1 | -70.8 | 174.4 | 169.3 | 0 | 0 | 112 | V176 R177 S182 E183 L184 | V176-E180 WeakPolarHBondContact O-CG 3.31Å; V176-E180 PolarHBondContact O-N 2.91Å; R177-E180 PolarHBondContact O-N 2.92Å; E180-S182 VanDerWaalsContact C-N 3.35Å; E180-S182 PolarHBondContact O-N 2.75Å; E180-E183 PolarHBondContact O-N 2.81Å; E180-L184 WeakPolarHBondContact O-CB 3.17Å; E180-L184 VanDerWaalsContact O-CG 3.27Å; E180-L184 WeakPolarHBondContact O-CG 3.31Å; E180-L184 PolarHBondContact O-N 3.37Å |
| 181 | V | 81.7 | Confident | 76.9 | Confident | 79 Ų | 79 | 104.6 Ų | 104.6 | 48% | 0.479 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.7 | -41.9 | 175.4 | 172.1 | 0 | 0 | 0 | 0 | 111 | R177 K179 E183 L184 C185 | R177-V181 WeakPolarHBondContact O-CB 3.49Å; R177-V181 VanDerWaalsContact O-CG2 3.25Å; R177-V181 WeakPolarHBondContact O-CG2 3.37Å; R177-V181 PolarHBondContact O-N 3.41Å; K179-V181 PolarHBondContact O-N 3.18Å; V181-E183 VanDerWaalsContact C-N 3.32Å; V181-E183 PolarHBondContact O-N 2.94Å; V181-L184 PolarHBondContact O-N 2.93Å; V181-C185 WeakPolarHBondContact O-CB 3.44Å; V181-C185 PolarHBondContact O-N 3.21Å; V181-C185 PolarHBondContact O-SG 3.4Å |
| 182 | S | 77.8 | Confident | 77.7 | Confident | 70 Ų | 70 | 103 Ų | 103 | 49% | 0.49 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.1 | -35.3 | 176.9 | 78 | 0 | 0 | 0 | 0 | 112.8 | A178 K179 E180 S186 | A178-S182 WeakPolarHBondContact O-CB 3.25Å; A178-S182 PolarHBondContact O-N 3.26Å; A178-S182 PolarHBondContact O-OG 2.86Å; K179-S182 WeakPolarHBondContact CA-OG 3.37Å; K179-S182 CarbonylContact O-C 3.55Å; K179-S182 PolarHBondContact O-N 2.75Å; K179-S182 VanDerWaalsContact O-N 3.11Å; K179-S182 PolarHBondContact O-OG 3.27Å; E180-S182 VanDerWaalsContact C-N 3.35Å; E180-S182 PolarHBondContact O-N 2.75Å; S182-S186 WeakPolarHBondContact O-CB 3.47Å; S182-S186 PolarHBondContact O-N 2.81Å |
| 183 | E | 78.4 | Confident | 77.4 | Confident | 95 Ų | 95 | 102 Ų | 102 | 44% | 0.444 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -70.3 | -41.7 | 175.1 | -74.6 | -171.3 | -166.8 | 0 | 0 | 111.5 | K179 E180 V181 C185 S186 K189 | K179-E183 WeakPolarHBondContact O-CG 3.41Å; K179-E183 PolarHBondContact O-N 3.12Å; E180-E183 PolarHBondContact O-N 2.81Å; V181-E183 VanDerWaalsContact C-N 3.32Å; V181-E183 PolarHBondContact O-N 2.94Å; E183-C185 VanDerWaalsContact C-N 3.32Å; E183-S186 WeakPolarHBondContact O-CB 3.43Å; E183-S186 PolarHBondContact O-N 3.07Å; E183-S186 VanDerWaalsContact O-N 3.17Å; E183-S186 PolarHBondContact O-OG 2.88Å; E183-K189 HydrophobicContact CB-CD 4.43Å; E183-K189 IonicContact OE2-NZ 3.79Å; E183-K189 PolarHBondContact OE2-NZ 3.37Å |
| 184 | L | 72.9 | Confident | 77.1 | Confident | 139 Ų | 139 | 97.7 Ų | 97.7 | 73% | 0.728 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.9 | -37.5 | 174.7 | -72.3 | 172.5 | 0 | 0 | 0 | 112 | E180 V181 S186 | E180-L184 WeakPolarHBondContact O-CB 3.17Å; E180-L184 VanDerWaalsContact O-CG 3.27Å; E180-L184 WeakPolarHBondContact O-CG 3.31Å; E180-L184 PolarHBondContact O-N 3.37Å; V181-L184 PolarHBondContact O-N 2.93Å; L184-S186 VanDerWaalsContact C-N 3.3Å |
| 185 | C | 66.2 | Low | 77.3 | Confident | 101 Ų | 101 | 98.5 Ų | 98.5 | 68% | 0.682 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -6.9 | 175.5 | -67.5 | 0 | 0 | 0 | 0 | 113.3 | V181 E183 E187 | V181-C185 WeakPolarHBondContact O-CB 3.44Å; V181-C185 PolarHBondContact O-N 3.21Å; V181-C185 PolarHBondContact O-SG 3.4Å; E183-C185 VanDerWaalsContact C-N 3.32Å; C185-E187 PolarHBondContact O-N 2.87Å |
| 186 | S | 77.9 | Confident | 77.4 | Confident | 37 Ų | 37 | 102.3 Ų | 102.3 | 26% | 0.259 | 51% | 0.512 | S | S | . | . | trans | -70.5 | 121.7 | 179.9 | 74.7 | 0 | 0 | 0 | 0 | 110 | S182 E183 L184 L188 K189 Y190 | S182-S186 WeakPolarHBondContact O-CB 3.47Å; S182-S186 PolarHBondContact O-N 2.81Å; E183-S186 WeakPolarHBondContact O-CB 3.43Å; E183-S186 PolarHBondContact O-N 3.07Å; E183-S186 VanDerWaalsContact O-N 3.17Å; E183-S186 PolarHBondContact O-OG 2.88Å; L184-S186 VanDerWaalsContact C-N 3.3Å; S186-L188 PolarHBondContact O-N 3.49Å; S186-K189 PolarHBondContact O-N 3.24Å; S186-K189 VanDerWaalsContact O-N 3.11Å; S186-K189 VanDerWaalsContact OG-CB 3.28Å; S186-K189 WeakPolarHBondContact OG-CB 3.36Å; S186-K189 WeakPolarHBondContact OG-CG 3.42Å; S186-K189 PolarHBondContact OG-N 3.34Å; S186-Y190 PolarHBondContact O-N 2.76Å | ||
| 187 | E | 73.4 | Confident | 77.2 | Confident | 159 Ų | 159 | 106.3 Ų | 106.3 | 74% | 0.743 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -58.8 | -32.3 | -178.2 | -175.6 | 163.2 | -159.2 | 0 | 0 | 112.2 | C185 Y190 Q191 | C185-E187 PolarHBondContact O-N 2.87Å; E187-Y190 PolarHBondContact O-N 2.79Å; E187-Q191 VanDerWaalsContact O-CB 3.3Å; E187-Q191 WeakPolarHBondContact O-CB 3.04Å; E187-Q191 PolarHBondContact O-N 3.44Å |
| 188 | L | 74.9 | Confident | 76.8 | Confident | 138 Ų | 138 | 104.7 Ų | 104.7 | 72% | 0.723 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66.1 | -46.6 | 175.5 | -66.3 | -179.5 | 0 | 0 | 0 | 112.6 | S186 Y190 Q191 E192 | S186-L188 PolarHBondContact O-N 3.49Å; L188-Y190 VanDerWaalsContact C-N 3.31Å; L188-Q191 PolarHBondContact O-N 2.97Å; L188-E192 VanDerWaalsContact O-CB 3.25Å; L188-E192 WeakPolarHBondContact O-CB 3.36Å; L188-E192 PolarHBondContact O-N 2.94Å |
| 189 | K | 77.1 | Confident | 76.4 | Confident | 91 Ų | 91 | 105.7 Ų | 105.7 | 40% | 0.396 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -69.7 | -32.4 | 175.6 | -73.4 | -149 | 179.8 | 177.1 | 0 | 111.7 | E183 S186 E192 S193 | E183-K189 HydrophobicContact CB-CD 4.43Å; E183-K189 IonicContact OE2-NZ 3.79Å; E183-K189 PolarHBondContact OE2-NZ 3.37Å; S186-K189 PolarHBondContact O-N 3.24Å; S186-K189 VanDerWaalsContact O-N 3.11Å; S186-K189 VanDerWaalsContact OG-CB 3.28Å; S186-K189 WeakPolarHBondContact OG-CB 3.36Å; S186-K189 WeakPolarHBondContact OG-CG 3.42Å; S186-K189 PolarHBondContact OG-N 3.34Å; K189-E192 PolarHBondContact O-N 3.01Å; K189-S193 WeakPolarHBondContact O-CB 3.27Å; K189-S193 PolarHBondContact O-N 2.87Å; K189-S193 PolarHBondContact O-OG 2.91Å |
| 190 | Y | 74.7 | Confident | 76.2 | Confident | 167 Ų | 167 | 105.1 Ų | 105.1 | 66% | 0.655 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64 | -47.4 | 174.1 | -179.1 | -101.4 | 0 | 0 | 0 | 111.6 | S186 E187 L188 S193 S194 | S186-Y190 PolarHBondContact O-N 2.76Å; E187-Y190 PolarHBondContact O-N 2.79Å; L188-Y190 VanDerWaalsContact C-N 3.31Å; Y190-S193 PolarHBondContact O-N 3.41Å; Y190-S194 VanDerWaalsContact O-CB 3.29Å; Y190-S194 WeakPolarHBondContact O-CB 3.27Å; Y190-S194 PolarHBondContact O-N 3.19Å |
| 191 | Q | 80.4 | Confident | 75.8 | Confident | 110 Ų | 110 | 101.5 Ų | 101.5 | 51% | 0.514 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66 | -38.4 | 176.6 | -167.1 | -175.5 | 24.8 | 0 | 0 | 111.9 | E187 L188 R195 | E187-Q191 VanDerWaalsContact O-CB 3.3Å; E187-Q191 WeakPolarHBondContact O-CB 3.04Å; E187-Q191 PolarHBondContact O-N 3.44Å; L188-Q191 PolarHBondContact O-N 2.97Å; Q191-R195 VanDerWaalsContact O-CB 3.3Å; Q191-R195 WeakPolarHBondContact O-CB 3.32Å; Q191-R195 PolarHBondContact O-N 2.92Å |
| 192 | E | 82.2 | Confident | 75.2 | Confident | 90 Ų | 90 | 105.4 Ų | 105.4 | 42% | 0.421 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.1 | -43.9 | 174.7 | -172.1 | -172.5 | -173.6 | 0 | 0 | 111.4 | L188 K189 R195 K196 | L188-E192 VanDerWaalsContact O-CB 3.25Å; L188-E192 WeakPolarHBondContact O-CB 3.36Å; L188-E192 PolarHBondContact O-N 2.94Å; K189-E192 PolarHBondContact O-N 3.01Å; E192-R195 PolarHBondContact O-N 3.33Å; E192-K196 HydrophobicContact CG-CD 4.26Å; E192-K196 WeakPolarHBondContact O-CB 3.5Å; E192-K196 WeakPolarHBondContact O-CG 3.15Å; E192-K196 PolarHBondContact O-N 2.83Å; E192-K196 WeakPolarHBondContact OE1-CE 3.35Å; E192-K196 IonicContact OE1-NZ 3.5Å; E192-K196 PolarHBondContact OE1-NZ 3.33Å; E192-K196 IonicContact OE2-NZ 2.66Å |
| 193 | S | 74.5 | Confident | 74.8 | Confident | 54 Ų | 54 | 111.9 Ų | 111.9 | 38% | 0.378 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.8 | -43.3 | 177.5 | -57.1 | 0 | 0 | 0 | 0 | 110.6 | K189 Y190 R195 K196 E197 | K189-S193 WeakPolarHBondContact O-CB 3.27Å; K189-S193 PolarHBondContact O-N 2.87Å; K189-S193 PolarHBondContact O-OG 2.91Å; Y190-S193 PolarHBondContact O-N 3.41Å; S193-R195 VanDerWaalsContact C-N 3.34Å; S193-R195 PolarHBondContact O-N 3.34Å; S193-K196 PolarHBondContact O-N 2.71Å; S193-E197 WeakPolarHBondContact O-CB 3.21Å; S193-E197 WeakPolarHBondContact O-CG 3.45Å; S193-E197 PolarHBondContact O-N 2.8Å |
| 194 | S | 72.8 | Confident | 74.4 | Confident | 49 Ų | 49 | 110.2 Ų | 110.2 | 34% | 0.343 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -60.5 | -41.4 | 172.9 | 177.7 | 0 | 0 | 0 | 0 | 112.1 | Y190 M198 | Y190-S194 VanDerWaalsContact O-CB 3.29Å; Y190-S194 WeakPolarHBondContact O-CB 3.27Å; Y190-S194 PolarHBondContact O-N 3.19Å; S194-M198 WeakPolarHBondContact O-CB 3.5Å; S194-M198 PolarHBondContact O-N 3.48Å |
| 195 | R | 78 | Confident | 74.4 | Confident | 173 Ų | 173 | 108.4 Ų | 108.4 | 65% | 0.653 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -65.3 | -42.7 | 174.7 | -171.2 | -174.4 | -59.9 | -154.4 | 0.9 | 111.7 | Q191 E192 S193 M198 S199 | Q191-R195 VanDerWaalsContact O-CB 3.3Å; Q191-R195 WeakPolarHBondContact O-CB 3.32Å; Q191-R195 PolarHBondContact O-N 2.92Å; E192-R195 PolarHBondContact O-N 3.33Å; S193-R195 VanDerWaalsContact C-N 3.34Å; S193-R195 PolarHBondContact O-N 3.34Å; R195-M198 PolarHBondContact O-N 2.91Å; R195-S199 WeakPolarHBondContact O-CB 3.12Å; R195-S199 PolarHBondContact O-N 3.49Å; R195-S199 PolarHBondContact O-OG 3.31Å |
| 196 | K | 80.9 | Confident | 75 | Confident | 111 Ų | 111 | 109.5 Ų | 109.5 | 48% | 0.483 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.2 | -44.2 | 176.6 | -77.7 | 174.2 | -175.7 | 166.6 | 0 | 111.3 | E192 S193 S199 S200 | E192-K196 HydrophobicContact CG-CD 4.26Å; E192-K196 WeakPolarHBondContact O-CB 3.5Å; E192-K196 WeakPolarHBondContact O-CG 3.15Å; E192-K196 PolarHBondContact O-N 2.83Å; E192-K196 WeakPolarHBondContact OE1-CE 3.35Å; E192-K196 IonicContact OE1-NZ 3.5Å; E192-K196 PolarHBondContact OE1-NZ 3.33Å; E192-K196 IonicContact OE2-NZ 2.66Å; S193-K196 PolarHBondContact O-N 2.71Å; K196-S199 WeakPolarHBondContact CA-OG 3.38Å; K196-S199 CarbonylContact O-C 3.58Å; K196-S199 PolarHBondContact O-N 3.23Å; K196-S199 PolarHBondContact O-OG 3.43Å; K196-S200 WeakPolarHBondContact O-CB 3.34Å; K196-S200 PolarHBondContact O-N 2.83Å |
| 197 | E | 76.4 | Confident | 75 | Confident | 135 Ų | 135 | 112.8 Ų | 112.8 | 63% | 0.631 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -64.1 | -39.9 | 174.5 | -76.4 | -179 | -176.4 | 0 | 0 | 111.9 | S193 S199 S200 S201 | S193-E197 WeakPolarHBondContact O-CB 3.21Å; S193-E197 WeakPolarHBondContact O-CG 3.45Å; S193-E197 PolarHBondContact O-N 2.8Å; E197-S199 VanDerWaalsContact C-N 3.28Å; E197-S199 PolarHBondContact O-N 3.02Å; E197-S200 CarbonylContact O-C 3.6Å; E197-S200 PolarHBondContact O-N 3.33Å; E197-S201 WeakPolarHBondContact O-CA 3.14Å; E197-S201 WeakPolarHBondContact O-CB 3.3Å; E197-S201 PolarHBondContact O-N 3.13Å |
| 198 | M | 71.1 | Confident | 75.2 | Confident | 134 Ų | 134 | 111 Ų | 111 | 66% | 0.66 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -61.8 | -40.1 | 173.5 | -153.4 | 80.6 | 85.3 | 0 | 0 | 110.8 | S194 R195 S201 A204 | S194-M198 WeakPolarHBondContact O-CB 3.5Å; S194-M198 PolarHBondContact O-N 3.48Å; R195-M198 PolarHBondContact O-N 2.91Å; M198-S201 WeakPolarHBondContact O-CB 3.38Å; M198-S201 PolarHBondContact O-N 2.64Å; M198-S201 PolarHBondContact O-OG 3.22Å; M198-A204 WeakPolarHBondContact O-CB 3.37Å |
| 199 | S | 71.7 | Confident | 75.7 | Confident | 77 Ų | 77 | 107.9 Ų | 107.9 | 54% | 0.538 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -75.3 | -24.8 | 176.5 | 71.3 | 0 | 0 | 0 | 0 | 114.6 | R195 K196 E197 A204 | R195-S199 WeakPolarHBondContact O-CB 3.12Å; R195-S199 PolarHBondContact O-N 3.49Å; R195-S199 PolarHBondContact O-OG 3.31Å; K196-S199 WeakPolarHBondContact CA-OG 3.38Å; K196-S199 CarbonylContact O-C 3.58Å; K196-S199 PolarHBondContact O-N 3.23Å; K196-S199 PolarHBondContact O-OG 3.43Å; E197-S199 VanDerWaalsContact C-N 3.28Å; E197-S199 PolarHBondContact O-N 3.02Å; S199-A204 WeakPolarHBondContact O-CB 3.3Å |
| 200 | S | 73.7 | Confident | 76.1 | Confident | 88 Ų | 88 | 108.2 Ų | 108.2 | 62% | 0.615 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -94.6 | -3.8 | 174.9 | 87.8 | 0 | 0 | 0 | 0 | 112.6 | K196 E197 | K196-S200 WeakPolarHBondContact O-CB 3.34Å; K196-S200 PolarHBondContact O-N 2.83Å; E197-S200 CarbonylContact O-C 3.6Å; E197-S200 PolarHBondContact O-N 3.33Å |
| 201 | S | 76.2 | Confident | 76.5 | Confident | 34 Ų | 34 | 107.7 Ų | 107.7 | 24% | 0.238 | 57% | 0.565 | C | S | . | * | S | Bend | trans | -61.6 | 143.6 | 178 | 74.4 | 0 | 0 | 0 | 0 | 109.1 | E197 M198 Y203 A204 | E197-S201 WeakPolarHBondContact O-CA 3.14Å; E197-S201 WeakPolarHBondContact O-CB 3.3Å; E197-S201 PolarHBondContact O-N 3.13Å; M198-S201 WeakPolarHBondContact O-CB 3.38Å; M198-S201 PolarHBondContact O-N 2.64Å; M198-S201 PolarHBondContact O-OG 3.22Å; S201-Y203 PolarHBondContact O-N 3Å; S201-A204 WeakPolarHBondContact O-CB 3.43Å; S201-A204 PolarHBondContact O-N 2.68Å; S201-A204 PolarHBondContact OG-N 3.1Å |
| 202 | H | 69.1 | Low | 76.7 | Confident | 161 Ų | 161 | 105.7 Ų | 105.7 | 75% | 0.745 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.3 | -30.2 | 176.9 | -73.3 | -64.5 | 0 | 0 | 0 | 112.1 | T205 M206 | H202-T205 PolarHBondContact O-N 2.94Å; H202-T205 PolarHBondContact O-OG1 3.4Å; H202-M206 WeakPolarHBondContact O-CG 3.23Å; H202-M206 PolarHBondContact O-N 2.86Å |
| 203 | Y | 68.8 | Low | 76.8 | Confident | 207 Ų | 207 | 103 Ų | 103 | 81% | 0.812 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | -34.8 | 174.9 | -66.9 | -79.7 | 0 | 0 | 0 | 114 | S201 T205 M206 | S201-Y203 PolarHBondContact O-N 3Å; Y203-T205 VanDerWaalsContact C-N 3.3Å; Y203-M206 PolarHBondContact O-N 3.36Å |
| 204 | A | 69.4 | Low | 77.4 | Confident | 59 Ų | 59 | 106.9 Ų | 106.9 | 49% | 0.488 | 56% | 0.562 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.8 | -25.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | M198 S199 S201 | M198-A204 WeakPolarHBondContact O-CB 3.37Å; S199-A204 WeakPolarHBondContact O-CB 3.3Å; S201-A204 WeakPolarHBondContact O-CB 3.43Å; S201-A204 PolarHBondContact O-N 2.68Å; S201-A204 PolarHBondContact OG-N 3.1Å |
| 205 | T | 73.6 | Confident | 78 | Confident | 101 Ų | 101 | 107.2 Ų | 107.2 | 62% | 0.62 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | -6.4 | 177.2 | 56.2 | 0 | 0 | 0 | 0 | 114.1 | H202 Y203 | H202-T205 PolarHBondContact O-N 2.94Å; H202-T205 PolarHBondContact O-OG1 3.4Å; Y203-T205 VanDerWaalsContact C-N 3.3Å |
| 206 | M | 78.8 | Confident | 78.3 | Confident | 125 Ų | 125 | 104.9 Ų | 104.9 | 62% | 0.616 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -67.5 | 144 | 176.4 | -73.9 | -63.2 | -72 | 0 | 0 | 110.2 | H202 Y203 E208 | H202-M206 WeakPolarHBondContact O-CG 3.23Å; H202-M206 PolarHBondContact O-N 2.86Å; Y203-M206 PolarHBondContact O-N 3.36Å; M206-E208 PolarHBondContact O-N 3.32Å |
| 207 | P | 77.5 | Confident | 78.6 | Confident | 106 Ų | 106 | 105.3 Ų | 105.3 | 69% | 0.688 | 56% | 0.563 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 132.6 | 170.7 | -21.4 | 31.6 | 0 | 0 | 0 | 110.2 | T209 | P207-T209 PolarHBondContact O-N 2.88Å; P207-T209 VanDerWaalsContact O-N 3.16Å |
| 208 | E | 77.1 | Confident | 79.1 | Confident | 120 Ų | 120 | 103 Ų | 103 | 56% | 0.561 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 119.9 | 177.5 | -88 | 167 | -155.2 | 0 | 0 | 110.7 | M206 R216 | M206-E208 PolarHBondContact O-N 3.32Å; E208-R216 VanDerWaalsContact CD-NH1 3.25Å; E208-R216 IonicContact OE1-CZ 2.71Å; E208-R216 IonicContact OE1-NH1 3.23Å; E208-R216 PolarHBondContact OE1-NH1 3.11Å; E208-R216 IonicContact OE1-NH2 2.61Å; E208-R216 PolarHBondContact OE1-NH2 3.45Å; E208-R216 IonicContact OE2-NH1 3.94Å; E208-R216 PolarHBondContact OE2-NH1 2.79Å |
| 209 | T | 85.8 | Confident | 79.7 | Confident | 73 Ų | 73 | 99.9 Ų | 99.9 | 45% | 0.448 | 55% | 0.545 | S | S | . | . | P | Polyproline II helix | trans | -82.8 | 158.8 | 168.9 | 68.4 | 0 | 0 | 0 | 0 | 109.5 | P207 E211 T212 S213 | P207-T209 PolarHBondContact O-N 2.88Å; P207-T209 VanDerWaalsContact O-N 3.16Å; T209-E211 PolarHBondContact O-N 3.41Å; T209-E211 VanDerWaalsContact O-N 3.17Å; T209-T212 PolarHBondContact N-OG1 3.28Å; T209-T212 PolarHBondContact O-N 3.48Å; T209-T212 VanDerWaalsContact O-N 3.11Å; T209-T212 PolarHBondContact O-OG1 3.01Å; T209-T212 WeakPolarHBondContact OG1-CG2 3.26Å; T209-T212 PolarHBondContact OG1-N 2.86Å; T209-T212 PolarHBondContact OG1-OG1 2.62Å; T209-S213 PolarHBondContact O-N 2.87Å; T209-S213 PolarHBondContact O-OG 3.07Å |
| 210 | S | 85.3 | Confident | 80.4 | Confident | 99 Ų | 99 | 98.6 Ų | 98.6 | 69% | 0.692 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -55.7 | -30.9 | 175.7 | 50.3 | 0 | 0 | 0 | 0 | 113.1 | S213 F214 | S210-S213 VanDerWaalsContact CA-OG 3.29Å; S210-S213 WeakPolarHBondContact CA-OG 3.41Å; S210-S213 PolarHBondContact O-OG 3.13Å; S210-F214 VanDerWaalsContact O-CB 3.32Å; S210-F214 WeakPolarHBondContact O-CB 3.37Å; S210-F214 PolarHBondContact O-N 3.15Å; S210-F214 VanDerWaalsContact O-N 3.13Å |
| 211 | E | 84.1 | Confident | 80.8 | Confident | 155 Ų | 155 | 100.6 Ų | 100.6 | 72% | 0.724 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -74.5 | -41 | 176.8 | -67.1 | 178.3 | 175.6 | 0 | 0 | 112.2 | T209 F214 A215 | T209-E211 PolarHBondContact O-N 3.41Å; T209-E211 VanDerWaalsContact O-N 3.17Å; E211-F214 PolarHBondContact O-N 2.94Å; E211-A215 WeakPolarHBondContact O-CB 3.33Å; E211-A215 PolarHBondContact O-N 2.7Å |
| 212 | T | 84.4 | Confident | 80.8 | Confident | 69 Ų | 69 | 105.7 Ų | 105.7 | 42% | 0.423 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -70.3 | -34.8 | 178.5 | 56.5 | 0 | 0 | 0 | 0 | 112.8 | T209 R216 | T209-T212 PolarHBondContact N-OG1 3.28Å; T209-T212 PolarHBondContact O-N 3.48Å; T209-T212 VanDerWaalsContact O-N 3.11Å; T209-T212 PolarHBondContact O-OG1 3.01Å; T209-T212 WeakPolarHBondContact OG1-CG2 3.26Å; T209-T212 PolarHBondContact OG1-N 2.86Å; T209-T212 PolarHBondContact OG1-OG1 2.62Å; T212-R216 WeakPolarHBondContact O-CB 3.27Å; T212-R216 PolarHBondContact O-N 2.76Å; T212-R216 VanDerWaalsContact O-N 3.08Å |
| 213 | S | 83.8 | Confident | 81.6 | Confident | 34 Ų | 34 | 99.7 Ų | 99.7 | 24% | 0.238 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -67.2 | -47 | 173 | 45.3 | 0 | 0 | 0 | 0 | 110.9 | T209 S210 A215 R216 E217 | T209-S213 PolarHBondContact O-N 2.87Å; T209-S213 PolarHBondContact O-OG 3.07Å; S210-S213 VanDerWaalsContact CA-OG 3.29Å; S210-S213 WeakPolarHBondContact CA-OG 3.41Å; S210-S213 PolarHBondContact O-OG 3.13Å; S213-A215 PolarHBondContact O-N 3.19Å; S213-R216 PolarHBondContact O-N 2.71Å; S213-R216 VanDerWaalsContact O-N 3.15Å; S213-E217 WeakPolarHBondContact O-CG 3.29Å; S213-E217 PolarHBondContact O-N 3.49Å |
| 214 | F | 87.6 | Confident | 82.2 | Confident | 134 Ų | 134 | 96 Ų | 96 | 59% | 0.588 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -58.9 | -43.5 | 174.4 | 179.7 | -102 | 0 | 0 | 0 | 112.8 | S210 E211 R216 E217 M218 | S210-F214 VanDerWaalsContact O-CB 3.32Å; S210-F214 WeakPolarHBondContact O-CB 3.37Å; S210-F214 PolarHBondContact O-N 3.15Å; S210-F214 VanDerWaalsContact O-N 3.13Å; E211-F214 PolarHBondContact O-N 2.94Å; F214-R216 VanDerWaalsContact C-N 3.3Å; F214-R216 PolarHBondContact O-N 3.46Å; F214-E217 PolarHBondContact O-N 3.25Å; F214-M218 WeakPolarHBondContact O-CB 3.34Å; F214-M218 PolarHBondContact O-N 3.21Å |
| 215 | A | 85.4 | Confident | 82.8 | Confident | 57 Ų | 57 | 98.5 Ų | 98.5 | 47% | 0.471 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.8 | -37.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | E211 S213 S219 | E211-A215 WeakPolarHBondContact O-CB 3.33Å; E211-A215 PolarHBondContact O-N 2.7Å; S213-A215 PolarHBondContact O-N 3.19Å; A215-S219 WeakPolarHBondContact O-CB 3.47Å; A215-S219 PolarHBondContact O-N 3.43Å |
| 216 | R | 84.1 | Confident | 83.3 | Confident | 123 Ų | 123 | 97.4 Ų | 97.4 | 46% | 0.464 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.8 | -45.6 | 175.2 | -167.6 | -174.8 | -62 | 154.6 | 0.5 | 111.6 | E208 T212 S213 F214 M218 S219 D220 | E208-R216 VanDerWaalsContact CD-NH1 3.25Å; E208-R216 IonicContact OE1-CZ 2.71Å; E208-R216 IonicContact OE1-NH1 3.23Å; E208-R216 PolarHBondContact OE1-NH1 3.11Å; E208-R216 IonicContact OE1-NH2 2.61Å; E208-R216 PolarHBondContact OE1-NH2 3.45Å; E208-R216 IonicContact OE2-NH1 3.94Å; E208-R216 PolarHBondContact OE2-NH1 2.79Å; T212-R216 WeakPolarHBondContact O-CB 3.27Å; T212-R216 PolarHBondContact O-N 2.76Å; T212-R216 VanDerWaalsContact O-N 3.08Å; S213-R216 PolarHBondContact O-N 2.71Å; S213-R216 VanDerWaalsContact O-N 3.15Å; F214-R216 VanDerWaalsContact C-N 3.3Å; F214-R216 PolarHBondContact O-N 3.46Å; R216-M218 VanDerWaalsContact C-N 3.31Å; R216-M218 PolarHBondContact O-N 2.85Å; R216-S219 WeakPolarHBondContact O-CB 3.4Å; R216-S219 PolarHBondContact O-N 3.43Å; R216-D220 VanDerWaalsContact O-CB 3.3Å; R216-D220 WeakPolarHBondContact O-CB 3.49Å; R216-D220 PolarHBondContact O-N 2.88Å |
| 217 | E | 87.4 | Confident | 83.4 | Confident | 121 Ų | 121 | 99.8 Ų | 99.8 | 57% | 0.565 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -59.4 | -42.4 | 175.4 | -73.4 | 176.9 | -170.6 | 0 | 0 | 111.6 | S213 F214 D220 L221 | S213-E217 WeakPolarHBondContact O-CG 3.29Å; S213-E217 PolarHBondContact O-N 3.49Å; F214-E217 PolarHBondContact O-N 3.25Å; E217-D220 WeakPolarHBondContact O-CB 3.45Å; E217-D220 PolarHBondContact O-N 3.34Å; E217-L221 WeakPolarHBondContact O-CB 3.23Å; E217-L221 VanDerWaalsContact O-CG 3.29Å; E217-L221 WeakPolarHBondContact O-CG 3.02Å; E217-L221 PolarHBondContact O-N 2.97Å |
| 218 | M | 85.8 | Confident | 83.7 | Confident | 85 Ų | 85 | 100.3 Ų | 100.3 | 42% | 0.419 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.6 | -42.2 | 176 | -167.3 | 68.9 | -171.4 | 0 | 0 | 111.8 | F214 R216 D220 L221 Q222 | F214-M218 WeakPolarHBondContact O-CB 3.34Å; F214-M218 PolarHBondContact O-N 3.21Å; R216-M218 VanDerWaalsContact C-N 3.31Å; R216-M218 PolarHBondContact O-N 2.85Å; M218-D220 VanDerWaalsContact C-N 3.3Å; M218-D220 PolarHBondContact O-N 3.03Å; M218-L221 PolarHBondContact O-N 2.86Å; M218-Q222 WeakPolarHBondContact O-CB 3.3Å; M218-Q222 VanDerWaalsContact O-CG 3.29Å; M218-Q222 WeakPolarHBondContact O-CG 3.48Å; M218-Q222 PolarHBondContact O-N 3.32Å |
| 219 | S | 85 | Confident | 84.1 | Confident | 70 Ų | 70 | 98.9 Ų | 98.9 | 49% | 0.49 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.1 | -36.9 | 174.1 | -178.2 | 0 | 0 | 0 | 0 | 111.9 | A215 R216 Q222 S223 | A215-S219 WeakPolarHBondContact O-CB 3.47Å; A215-S219 PolarHBondContact O-N 3.43Å; R216-S219 WeakPolarHBondContact O-CB 3.4Å; R216-S219 PolarHBondContact O-N 3.43Å; S219-Q222 PolarHBondContact O-N 3.46Å; S219-S223 WeakPolarHBondContact O-CB 3.5Å; S219-S223 PolarHBondContact O-N 3.49Å |
| 220 | D | 85.6 | Confident | 83.9 | Confident | 49 Ų | 49 | 99.4 Ų | 99.4 | 26% | 0.262 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.2 | -44.4 | 178.2 | -76.5 | -22.3 | 0 | 0 | 0 | 111 | R216 E217 M218 Q222 S223 K226 | R216-D220 VanDerWaalsContact O-CB 3.3Å; R216-D220 WeakPolarHBondContact O-CB 3.49Å; R216-D220 PolarHBondContact O-N 2.88Å; E217-D220 WeakPolarHBondContact O-CB 3.45Å; E217-D220 PolarHBondContact O-N 3.34Å; M218-D220 VanDerWaalsContact C-N 3.3Å; M218-D220 PolarHBondContact O-N 3.03Å; D220-Q222 VanDerWaalsContact C-N 3.3Å; D220-Q222 PolarHBondContact O-N 3.46Å; D220-S223 WeakPolarHBondContact O-CB 3.44Å; D220-S223 PolarHBondContact O-N 3.01Å; D220-S223 VanDerWaalsContact O-N 3.11Å; D220-S223 PolarHBondContact O-OG 2.92Å; D220-K226 HydrophobicContact CB-CD 3.66Å; D220-K226 WeakPolarHBondContact OD1-CE 3.29Å; D220-K226 IonicContact OD1-NZ 2.66Å; D220-K226 PolarHBondContact OD1-NZ 2.93Å; D220-K226 IonicContact OD2-NZ 2.71Å; D220-K226 PolarHBondContact OD2-NZ 3.41Å |
| 221 | L | 82.2 | Confident | 83.7 | Confident | 130 Ų | 130 | 96.1 Ų | 96.1 | 68% | 0.681 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.3 | -35.3 | 174.3 | -75.5 | 169.4 | 0 | 0 | 0 | 112.6 | E217 M218 S223 | E217-L221 WeakPolarHBondContact O-CB 3.23Å; E217-L221 VanDerWaalsContact O-CG 3.29Å; E217-L221 WeakPolarHBondContact O-CG 3.02Å; E217-L221 PolarHBondContact O-N 2.97Å; M218-L221 PolarHBondContact O-N 2.86Å; L221-S223 VanDerWaalsContact C-N 3.32Å |
| 222 | Q | 77 | Confident | 83.4 | Confident | 142 Ų | 142 | 95.7 Ų | 95.7 | 66% | 0.664 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -78.6 | -16.5 | 175.7 | -72.9 | 179.5 | -10.1 | 0 | 0 | 113.2 | M218 S219 D220 E224 | M218-Q222 WeakPolarHBondContact O-CB 3.3Å; M218-Q222 VanDerWaalsContact O-CG 3.29Å; M218-Q222 WeakPolarHBondContact O-CG 3.48Å; M218-Q222 PolarHBondContact O-N 3.32Å; S219-Q222 PolarHBondContact O-N 3.46Å; D220-Q222 VanDerWaalsContact C-N 3.3Å; D220-Q222 PolarHBondContact O-N 3.46Å; Q222-E224 PolarHBondContact O-N 2.95Å |
| 223 | S | 85.4 | Confident | 83.2 | Confident | 35 Ų | 35 | 96.4 Ų | 96.4 | 25% | 0.245 | 48% | 0.484 | C | S | . | . | trans | -73.7 | 121 | -179.7 | 78.8 | 0 | 0 | 0 | 0 | 110.5 | S219 D220 L221 V225 K226 Y227 | S219-S223 WeakPolarHBondContact O-CB 3.5Å; S219-S223 PolarHBondContact O-N 3.49Å; D220-S223 WeakPolarHBondContact O-CB 3.44Å; D220-S223 PolarHBondContact O-N 3.01Å; D220-S223 VanDerWaalsContact O-N 3.11Å; D220-S223 PolarHBondContact O-OG 2.92Å; L221-S223 VanDerWaalsContact C-N 3.32Å; S223-V225 PolarHBondContact O-N 3.15Å; S223-K226 PolarHBondContact O-N 3.45Å; S223-K226 VanDerWaalsContact OG-CB 3.23Å; S223-K226 WeakPolarHBondContact OG-CB 3.29Å; S223-K226 WeakPolarHBondContact OG-CG 3.41Å; S223-K226 PolarHBondContact OG-N 3.26Å; S223-Y227 PolarHBondContact O-N 3.24Å | ||
| 224 | E | 80.8 | Confident | 82.8 | Confident | 128 Ų | 128 | 98 Ų | 98 | 60% | 0.598 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -59.9 | -32.3 | 179.5 | -171.6 | -175.5 | 166.2 | 0 | 0 | 112 | Q222 K228 | Q222-E224 PolarHBondContact O-N 2.95Å; E224-K228 HydrophobicContact CG-CD 4.39Å; E224-K228 WeakPolarHBondContact O-CB 3.45Å; E224-K228 WeakPolarHBondContact O-CG 3.36Å; E224-K228 PolarHBondContact O-N 2.86Å; E224-K228 WeakPolarHBondContact OE1-CE 3.29Å; E224-K228 IonicContact OE1-NZ 3.99Å; E224-K228 PolarHBondContact OE1-NZ 3.42Å |
| 225 | V | 81.6 | Confident | 82.2 | Confident | 113 Ų | 113 | 96.2 Ų | 96.2 | 69% | 0.685 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -66.3 | -50.2 | 179.6 | 179 | 0 | 0 | 0 | 0 | 111 | S223 Y227 K228 E229 | S223-V225 PolarHBondContact O-N 3.15Å; V225-Y227 VanDerWaalsContact C-N 3.33Å; V225-K228 PolarHBondContact O-N 2.88Å; V225-E229 WeakPolarHBondContact O-CB 3.4Å; V225-E229 PolarHBondContact O-N 3.03Å |
| 226 | K | 84.3 | Confident | 81.4 | Confident | 78 Ų | 78 | 97 Ų | 97 | 34% | 0.339 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.2 | -35.4 | 177.7 | -68.6 | -172.1 | 165.8 | 179.2 | 0 | 111.6 | D220 S223 K228 E229 D230 | D220-K226 HydrophobicContact CB-CD 3.66Å; D220-K226 WeakPolarHBondContact OD1-CE 3.29Å; D220-K226 IonicContact OD1-NZ 2.66Å; D220-K226 PolarHBondContact OD1-NZ 2.93Å; D220-K226 IonicContact OD2-NZ 2.71Å; D220-K226 PolarHBondContact OD2-NZ 3.41Å; S223-K226 PolarHBondContact O-N 3.45Å; S223-K226 VanDerWaalsContact OG-CB 3.23Å; S223-K226 WeakPolarHBondContact OG-CB 3.29Å; S223-K226 WeakPolarHBondContact OG-CG 3.41Å; S223-K226 PolarHBondContact OG-N 3.26Å; K226-K228 PolarHBondContact O-N 3.5Å; K226-E229 PolarHBondContact O-N 2.74Å; K226-D230 WeakPolarHBondContact O-CB 3.32Å; K226-D230 PolarHBondContact O-N 2.69Å |
| 227 | Y | 81.3 | Confident | 80.9 | Confident | 174 Ų | 174 | 99 Ų | 99 | 68% | 0.682 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -58.5 | -45.9 | 173.4 | 177.8 | -99 | 0 | 0 | 0 | 112.3 | S223 V225 G231 | S223-Y227 PolarHBondContact O-N 3.24Å; V225-Y227 VanDerWaalsContact C-N 3.33Å; Y227-G231 PolarHBondContact O-N 2.71Å |
| 228 | K | 84.7 | Confident | 80.4 | Confident | 117 Ų | 117 | 95 Ų | 95 | 51% | 0.509 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.7 | -41.8 | 175.8 | -73.6 | 178 | -176.5 | 172.1 | 0 | 111.7 | E224 V225 K226 G231 M232 | E224-K228 HydrophobicContact CG-CD 4.39Å; E224-K228 WeakPolarHBondContact O-CB 3.45Å; E224-K228 WeakPolarHBondContact O-CG 3.36Å; E224-K228 PolarHBondContact O-N 2.86Å; E224-K228 WeakPolarHBondContact OE1-CE 3.29Å; E224-K228 IonicContact OE1-NZ 3.99Å; E224-K228 PolarHBondContact OE1-NZ 3.42Å; V225-K228 PolarHBondContact O-N 2.88Å; K226-K228 PolarHBondContact O-N 3.5Å; K228-G231 PolarHBondContact O-N 2.81Å; K228-M232 VanDerWaalsContact O-CG 3.32Å; K228-M232 WeakPolarHBondContact O-CG 3.46Å; K228-M232 PolarHBondContact O-N 2.91Å |
| 229 | E | 84.9 | Confident | 79.6 | Confident | 90 Ų | 90 | 97.9 Ų | 97.9 | 42% | 0.421 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.8 | -46.9 | 178 | -167.3 | -169.3 | 159.5 | 0 | 0 | 112 | V225 K226 G231 M232 K233 | V225-E229 WeakPolarHBondContact O-CB 3.4Å; V225-E229 PolarHBondContact O-N 3.03Å; K226-E229 PolarHBondContact O-N 2.74Å; E229-G231 VanDerWaalsContact C-N 3.31Å; E229-G231 PolarHBondContact O-N 2.66Å; E229-M232 WeakPolarHBondContact O-CB 3.46Å; E229-M232 PolarHBondContact O-N 3.47Å; E229-M232 VanDerWaalsContact O-N 3.13Å; E229-K233 WeakPolarHBondContact O-CG 3.24Å; E229-K233 PolarHBondContact O-N 3.42Å; E229-K233 WeakPolarHBondContact OE1-CE 3.44Å; E229-K233 IonicContact OE1-NZ 2.66Å; E229-K233 PolarHBondContact OE1-NZ 3.39Å; E229-K233 IonicContact OE2-NZ 2.86Å |
| 230 | D | 82 | Confident | 78.7 | Confident | 85 Ų | 85 | 103.5 Ų | 103.5 | 46% | 0.455 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -69.1 | -31.4 | 176.9 | -71.3 | -12.2 | 0 | 0 | 0 | 111.7 | K226 K233 S234 | K226-D230 WeakPolarHBondContact O-CB 3.32Å; K226-D230 PolarHBondContact O-N 2.69Å; D230-K233 PolarHBondContact O-N 3.47Å; D230-K233 IonicContact OD1-NZ 3.33Å; D230-K233 PolarHBondContact OD1-NZ 2.89Å; D230-S234 VanDerWaalsContact O-CB 3.31Å; D230-S234 WeakPolarHBondContact O-CB 3.43Å; D230-S234 PolarHBondContact O-N 2.62Å; D230-S234 PolarHBondContact O-OG 2.62Å; D230-S234 VanDerWaalsContact O-OG 3.09Å |
| 231 | G | 80.3 | Confident | 77.9 | Confident | 30 Ų | 30 | 104.3 Ų | 104.3 | 31% | 0.309 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -58.3 | -47.7 | 165.6 | 0 | 0 | 0 | 0 | 0 | 112 | Y227 K228 E229 S234 V235 | Y227-G231 PolarHBondContact O-N 2.71Å; K228-G231 PolarHBondContact O-N 2.81Å; E229-G231 VanDerWaalsContact C-N 3.31Å; E229-G231 PolarHBondContact O-N 2.66Å; G231-S234 PolarHBondContact O-N 3.36Å; G231-S234 PolarHBondContact O-OG 2.85Å; G231-V235 VanDerWaalsContact O-CG2 3.27Å; G231-V235 WeakPolarHBondContact O-CG2 3.31Å; G231-V235 PolarHBondContact O-N 3.45Å |
| 232 | M | 77.9 | Confident | 77.2 | Confident | 145 Ų | 145 | 108.7 Ų | 108.7 | 71% | 0.714 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66.9 | -39.5 | 176.6 | -66.8 | -178.2 | 77.3 | 0 | 0 | 112.3 | K228 E229 V235 S236 | K228-M232 VanDerWaalsContact O-CG 3.32Å; K228-M232 WeakPolarHBondContact O-CG 3.46Å; K228-M232 PolarHBondContact O-N 2.91Å; E229-M232 WeakPolarHBondContact O-CB 3.46Å; E229-M232 PolarHBondContact O-N 3.47Å; E229-M232 VanDerWaalsContact O-N 3.13Å; M232-V235 PolarHBondContact O-N 2.72Å; M232-S236 WeakPolarHBondContact O-CB 3.08Å; M232-S236 PolarHBondContact O-N 3.08Å |
| 233 | K | 80.6 | Confident | 77.2 | Confident | 85 Ų | 85 | 106.9 Ų | 106.9 | 37% | 0.37 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.7 | -43.6 | 175.1 | -71.6 | 169.6 | -172.3 | 155.7 | 0 | 111.7 | E229 D230 V235 S236 Q237 | E229-K233 WeakPolarHBondContact O-CG 3.24Å; E229-K233 PolarHBondContact O-N 3.42Å; E229-K233 WeakPolarHBondContact OE1-CE 3.44Å; E229-K233 IonicContact OE1-NZ 2.66Å; E229-K233 PolarHBondContact OE1-NZ 3.39Å; E229-K233 IonicContact OE2-NZ 2.86Å; D230-K233 PolarHBondContact O-N 3.47Å; D230-K233 IonicContact OD1-NZ 3.33Å; D230-K233 PolarHBondContact OD1-NZ 2.89Å; K233-V235 VanDerWaalsContact C-N 3.33Å; K233-V235 PolarHBondContact O-N 2.89Å; K233-S236 WeakPolarHBondContact CA-OG 3.22Å; K233-S236 CarbonylContact O-C 3.58Å; K233-S236 WeakPolarHBondContact O-CA 3.5Å; K233-S236 PolarHBondContact O-N 3.41Å; K233-S236 VanDerWaalsContact O-N 3.12Å; K233-S236 PolarHBondContact O-OG 3.41Å; K233-Q237 WeakPolarHBondContact O-CB 3.26Å; K233-Q237 WeakPolarHBondContact O-CG 3.25Å; K233-Q237 PolarHBondContact O-N 3.13Å |
| 234 | S | 74.7 | Confident | 76.6 | Confident | 66 Ų | 66 | 110.4 Ų | 110.4 | 46% | 0.462 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.5 | -35.6 | 177.3 | 65.1 | 0 | 0 | 0 | 0 | 112.1 | D230 G231 Q237 S238 | D230-S234 VanDerWaalsContact O-CB 3.31Å; D230-S234 WeakPolarHBondContact O-CB 3.43Å; D230-S234 PolarHBondContact O-N 2.62Å; D230-S234 PolarHBondContact O-OG 2.62Å; D230-S234 VanDerWaalsContact O-OG 3.09Å; G231-S234 PolarHBondContact O-N 3.36Å; G231-S234 PolarHBondContact O-OG 2.85Å; S234-Q237 CarbonylContact O-C 3.59Å; S234-Q237 PolarHBondContact O-N 3.48Å; S234-S238 PolarHBondContact O-N 2.97Å |
| 235 | V | 74.9 | Confident | 76.2 | Confident | 98 Ų | 98 | 108.2 Ų | 108.2 | 59% | 0.594 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64 | -42.8 | 170 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | G231 M232 K233 Q237 S238 | G231-V235 VanDerWaalsContact O-CG2 3.27Å; G231-V235 WeakPolarHBondContact O-CG2 3.31Å; G231-V235 PolarHBondContact O-N 3.45Å; M232-V235 PolarHBondContact O-N 2.72Å; K233-V235 VanDerWaalsContact C-N 3.33Å; K233-V235 PolarHBondContact O-N 2.89Å; V235-Q237 VanDerWaalsContact C-N 3.27Å; V235-Q237 PolarHBondContact O-N 2.99Å; V235-S238 VanDerWaalsContact O-CB 3.29Å; V235-S238 WeakPolarHBondContact O-CB 3.34Å; V235-S238 PolarHBondContact O-N 3.15Å; V235-S238 PolarHBondContact O-OG 3Å |
| 236 | S | 68.5 | Low | 76.3 | Confident | 74 Ų | 74 | 106.8 Ų | 106.8 | 52% | 0.517 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -72.3 | -15.3 | 176.2 | 77.7 | 0 | 0 | 0 | 0 | 114.8 | M232 K233 S241 | M232-S236 WeakPolarHBondContact O-CB 3.08Å; M232-S236 PolarHBondContact O-N 3.08Å; K233-S236 WeakPolarHBondContact CA-OG 3.22Å; K233-S236 CarbonylContact O-C 3.58Å; K233-S236 WeakPolarHBondContact O-CA 3.5Å; K233-S236 PolarHBondContact O-N 3.41Å; K233-S236 VanDerWaalsContact O-N 3.12Å; K233-S236 PolarHBondContact O-OG 3.41Å; S236-S241 WeakPolarHBondContact O-CB 3.36Å; S236-S241 PolarHBondContact O-OG 3.07Å |
| 237 | Q | 74.7 | Confident | 76.3 | Confident | 163 Ų | 163 | 107.1 Ų | 107.1 | 76% | 0.762 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -100.9 | -6.5 | 173 | -75.3 | -178.6 | -14.4 | 0 | 0 | 112.3 | K233 S234 V235 | K233-Q237 WeakPolarHBondContact O-CB 3.26Å; K233-Q237 WeakPolarHBondContact O-CG 3.25Å; K233-Q237 PolarHBondContact O-N 3.13Å; S234-Q237 CarbonylContact O-C 3.59Å; S234-Q237 PolarHBondContact O-N 3.48Å; V235-Q237 VanDerWaalsContact C-N 3.27Å; V235-Q237 PolarHBondContact O-N 2.99Å |
| 238 | S | 76 | Confident | 76.3 | Confident | 37 Ų | 37 | 106.3 Ų | 106.3 | 26% | 0.259 | 56% | 0.56 | S | S | . | * | S | Bend | trans | -61.6 | 147.6 | 178.3 | 75.9 | 0 | 0 | 0 | 0 | 109.9 | S234 V235 Y240 S241 | S234-S238 PolarHBondContact O-N 2.97Å; V235-S238 VanDerWaalsContact O-CB 3.29Å; V235-S238 WeakPolarHBondContact O-CB 3.34Å; V235-S238 PolarHBondContact O-N 3.15Å; V235-S238 PolarHBondContact O-OG 3Å; S238-Y240 PolarHBondContact O-N 2.86Å; S238-S241 WeakPolarHBondContact O-CB 3.36Å; S238-S241 PolarHBondContact O-N 3.17Å; S238-S241 PolarHBondContact O-OG 3Å |
| 239 | L | 68.4 | Low | 76.2 | Confident | 146 Ų | 146 | 104.7 Ų | 104.7 | 76% | 0.764 | 56% | 0.555 | S | S | * | * | G | 310 helix | trans | -52.7 | -30.1 | 177.9 | -66.9 | 173.4 | 0 | 0 | 0 | 112.1 | S241 R242 L243 | L239-S241 PolarHBondContact O-N 2.91Å; L239-R242 PolarHBondContact O-N 3.41Å; L239-L243 PolarHBondContact O-N 2.81Å |
| 240 | Y | 66.9 | Low | 76.1 | Confident | 189 Ų | 189 | 105.5 Ų | 105.5 | 74% | 0.741 | 56% | 0.557 | S | S | * | * | G | 310 helix | trans | -63.8 | -34.4 | 176.7 | -64.5 | -79.4 | 0 | 0 | 0 | 113.8 | S238 R242 L243 | S238-Y240 PolarHBondContact O-N 2.86Å; Y240-R242 VanDerWaalsContact C-N 3.29Å; Y240-R242 PolarHBondContact O-N 3.11Å; Y240-L243 HydrophobicContact CD1-CD1 4.25Å; Y240-L243 PolarHBondContact O-N 3.4Å |
| 241 | S | 68.1 | Low | 76.2 | Confident | 66 Ų | 66 | 108.5 Ų | 108.5 | 46% | 0.462 | 57% | 0.566 | S | S | . | * | G | 310 helix | trans | -71.2 | -23 | 177.6 | 69.1 | 0 | 0 | 0 | 0 | 113.9 | S236 S238 L239 | S236-S241 WeakPolarHBondContact O-CB 3.36Å; S236-S241 PolarHBondContact O-OG 3.07Å; S238-S241 WeakPolarHBondContact O-CB 3.36Å; S238-S241 PolarHBondContact O-N 3.17Å; S238-S241 PolarHBondContact O-OG 3Å; L239-S241 PolarHBondContact O-N 2.91Å |
| 242 | R | 69.4 | Low | 76.5 | Confident | 222 Ų | 222 | 111.6 Ų | 111.6 | 84% | 0.838 | 58% | 0.579 | S | S | * | * | G | 310 helix | trans | -90.9 | -10.1 | -179.4 | -171.3 | 173.2 | -73.7 | -176.3 | -2.1 | 112.3 | L239 Y240 | L239-R242 PolarHBondContact O-N 3.41Å; Y240-R242 VanDerWaalsContact C-N 3.29Å; Y240-R242 PolarHBondContact O-N 3.11Å |
| 243 | L | 76.3 | Confident | 76.8 | Confident | 104 Ų | 104 | 110 Ų | 110 | 55% | 0.545 | 57% | 0.568 | S | S | . | * | S | Bend | trans | -68.5 | 143.5 | 175.2 | -69.5 | 173.2 | 0 | 0 | 0 | 110.2 | L239 Y240 E245 | L239-L243 PolarHBondContact O-N 2.81Å; Y240-L243 HydrophobicContact CD1-CD1 4.25Å; Y240-L243 PolarHBondContact O-N 3.4Å; L243-E245 PolarHBondContact O-N 3.24Å |
| 244 | P | 73.5 | Confident | 76.9 | Confident | 108 Ų | 108 | 110.7 Ų | 110.7 | 70% | 0.701 | 58% | 0.576 | S | S | * | * | trans | -55.6 | 131.6 | 174 | -20.6 | 30.9 | 0 | 0 | 0 | 110.5 | T246 | P244-T246 PolarHBondContact O-N 3.33Š| ||
| 245 | E | 72.4 | Confident | 77.4 | Confident | 83 Ų | 83 | 109.8 Ų | 109.8 | 39% | 0.388 | 57% | 0.567 | S | S | . | * | trans | -62.2 | 109.5 | 177.8 | -132.5 | 177.4 | -159.8 | 0 | 0 | 108.9 | L243 M249 K250 K253 | L243-E245 PolarHBondContact O-N 3.24Å; E245-M249 HydrophobicContact CB-CE 4.35Å; E245-M249 HydrophobicContact CG-CB 4.26Å; E245-M249 HydrophobicContact CG-CE 3.8Å; E245-M249 HydrophobicContact CG-CG 4.06Å; E245-K250 HydrophobicContact CB-CG 4.35Å; E245-K250 HydrophobicContact CG-CG 4.14Å; E245-K250 WeakPolarHBondContact OE2-CE 3.5Å; E245-K253 IonicContact OE1-NZ 3.18Å; E245-K253 PolarHBondContact OE1-NZ 2.9Å | ||
| 246 | T | 83.7 | Confident | 77.8 | Confident | 83 Ų | 83 | 108.4 Ų | 108.4 | 51% | 0.509 | 56% | 0.562 | S | S | . | * | trans | -69.4 | 156.7 | 175.9 | 61.9 | 0 | 0 | 0 | 0 | 110 | P244 Q248 M249 K250 | P244-T246 PolarHBondContact O-N 3.33Å; T246-Q248 PolarHBondContact O-N 2.73Å; T246-M249 PolarHBondContact O-N 3.11Å; T246-M249 PolarHBondContact OG1-N 3.02Å; T246-K250 PolarHBondContact O-N 3.09Å; T246-K250 VanDerWaalsContact O-N 3.14Å | ||
| 247 | A | 83.5 | Confident | 78.5 | Confident | 84 Ų | 84 | 109 Ų | 109 | 69% | 0.694 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -55.9 | -35.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | K250 F251 | A247-K250 PolarHBondContact O-N 2.81Å; A247-F251 PolarHBondContact O-N 3.13Å; A247-F251 VanDerWaalsContact O-N 3.08Å |
| 248 | Q | 80.6 | Confident | 78.6 | Confident | 158 Ų | 158 | 108.2 Ų | 108.2 | 74% | 0.738 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66.9 | -37.9 | 175.4 | -66.7 | 175.4 | 7.4 | 0 | 0 | 112.3 | T246 K250 F251 V252 | T246-Q248 PolarHBondContact O-N 2.73Å; Q248-K250 VanDerWaalsContact C-N 3.35Å; Q248-F251 PolarHBondContact O-N 3.4Å; Q248-V252 VanDerWaalsContact O-CG2 3.29Å; Q248-V252 WeakPolarHBondContact O-CG2 3.16Å; Q248-V252 PolarHBondContact O-N 3.28Å |
| 249 | M | 82.9 | Confident | 78.3 | Confident | 83 Ų | 83 | 113.5 Ų | 113.5 | 41% | 0.409 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -68.1 | -36.1 | 178.4 | -170.9 | 146.9 | 66.6 | 0 | 0 | 111.9 | E245 T246 K253 | E245-M249 HydrophobicContact CB-CE 4.35Å; E245-M249 HydrophobicContact CG-CB 4.26Å; E245-M249 HydrophobicContact CG-CE 3.8Å; E245-M249 HydrophobicContact CG-CG 4.06Å; T246-M249 PolarHBondContact O-N 3.11Å; T246-M249 PolarHBondContact OG1-N 3.02Å; M249-K253 WeakPolarHBondContact O-CB 3.38Å; M249-K253 PolarHBondContact O-N 3.49Å |
| 250 | K | 83.2 | Confident | 78.8 | Confident | 107 Ų | 107 | 108.5 Ų | 108.5 | 47% | 0.465 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.7 | -47.9 | 171.5 | -67.7 | -171.5 | 178.3 | -176.4 | 0 | 111.7 | E245 T246 A247 Q248 V252 K253 D254 | E245-K250 HydrophobicContact CB-CG 4.35Å; E245-K250 HydrophobicContact CG-CG 4.14Å; E245-K250 WeakPolarHBondContact OE2-CE 3.5Å; T246-K250 PolarHBondContact O-N 3.09Å; T246-K250 VanDerWaalsContact O-N 3.14Å; A247-K250 PolarHBondContact O-N 2.81Å; Q248-K250 VanDerWaalsContact C-N 3.35Å; K250-V252 PolarHBondContact O-N 3.38Å; K250-K253 WeakPolarHBondContact O-CB 3.37Å; K250-K253 PolarHBondContact O-N 3.12Å; K250-K253 VanDerWaalsContact O-N 3.12Å; K250-D254 VanDerWaalsContact O-CG 3.22Å; K250-D254 PolarHBondContact O-N 3.42Å |
| 251 | F | 84.9 | Confident | 78.7 | Confident | 147 Ų | 147 | 105.6 Ų | 105.6 | 65% | 0.645 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -57.1 | -46.7 | 176.2 | 178.3 | -100.6 | 0 | 0 | 0 | 112.4 | A247 Q248 K253 D254 V255 | A247-F251 PolarHBondContact O-N 3.13Å; A247-F251 VanDerWaalsContact O-N 3.08Å; Q248-F251 PolarHBondContact O-N 3.4Å; F251-K253 VanDerWaalsContact C-N 3.29Å; F251-K253 PolarHBondContact O-N 3.08Å; F251-D254 PolarHBondContact O-N 2.95Å; F251-V255 HydrophobicContact CD1-CG2 4.21Å; F251-V255 HydrophobicContact CD2-CG2 4.32Å; F251-V255 HydrophobicContact CE1-CG2 3.82Å; F251-V255 HydrophobicContact CE2-CG2 3.93Å; F251-V255 HydrophobicContact CG-CG2 4.46Å; F251-V255 HydrophobicContact CZ-CG2 3.67Å; F251-V255 WeakPolarHBondContact O-CB 3.29Å; F251-V255 VanDerWaalsContact O-CG2 3.26Å; F251-V255 WeakPolarHBondContact O-CG2 3.33Å; F251-V255 PolarHBondContact O-N 3.43Å |
| 252 | V | 85 | Confident | 78.7 | Confident | 96 Ų | 96 | 110.1 Ų | 110.1 | 58% | 0.582 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -61.6 | -38.2 | 177.3 | 170.4 | 0 | 0 | 0 | 0 | 111.8 | Q248 K250 S256 | Q248-V252 VanDerWaalsContact O-CG2 3.29Å; Q248-V252 WeakPolarHBondContact O-CG2 3.16Å; Q248-V252 PolarHBondContact O-N 3.28Å; K250-V252 PolarHBondContact O-N 3.38Å; V252-S256 WeakPolarHBondContact O-CB 3.32Å; V252-S256 PolarHBondContact O-N 3.44Å |
| 253 | K | 84.9 | Confident | 78.6 | Confident | 111 Ų | 111 | 103.7 Ų | 103.7 | 48% | 0.483 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67.6 | -44 | 177.4 | -172 | -179.1 | -174.8 | -179.7 | 0 | 111.9 | E245 M249 K250 F251 S256 E257 | E245-K253 IonicContact OE1-NZ 3.18Å; E245-K253 PolarHBondContact OE1-NZ 2.9Å; M249-K253 WeakPolarHBondContact O-CB 3.38Å; M249-K253 PolarHBondContact O-N 3.49Å; K250-K253 WeakPolarHBondContact O-CB 3.37Å; K250-K253 PolarHBondContact O-N 3.12Å; K250-K253 VanDerWaalsContact O-N 3.12Å; F251-K253 VanDerWaalsContact C-N 3.29Å; F251-K253 PolarHBondContact O-N 3.08Å; K253-S256 PolarHBondContact O-N 3.35Å; K253-E257 WeakPolarHBondContact O-CB 3.23Å; K253-E257 PolarHBondContact O-N 2.89Å |
| 254 | D | 83 | Confident | 77.9 | Confident | 99 Ų | 99 | 106.1 Ų | 106.1 | 53% | 0.529 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.9 | -41.7 | 178 | -63.8 | -18.1 | 0 | 0 | 0 | 111.1 | K250 F251 E257 L258 | K250-D254 VanDerWaalsContact O-CG 3.22Å; K250-D254 PolarHBondContact O-N 3.42Å; F251-D254 PolarHBondContact O-N 2.95Å; D254-E257 PolarHBondContact O-N 2.89Å; D254-L258 WeakPolarHBondContact O-CB 3.44Å; D254-L258 PolarHBondContact O-N 3.42Å |
| 255 | V | 84.9 | Confident | 77.7 | Confident | 48 Ų | 48 | 106 Ų | 106 | 29% | 0.291 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.4 | -42.4 | 173.7 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | F251 L258 Q259 | F251-V255 HydrophobicContact CD1-CG2 4.21Å; F251-V255 HydrophobicContact CD2-CG2 4.32Å; F251-V255 HydrophobicContact CE1-CG2 3.82Å; F251-V255 HydrophobicContact CE2-CG2 3.93Å; F251-V255 HydrophobicContact CG-CG2 4.46Å; F251-V255 HydrophobicContact CZ-CG2 3.67Å; F251-V255 WeakPolarHBondContact O-CB 3.29Å; F251-V255 VanDerWaalsContact O-CG2 3.26Å; F251-V255 WeakPolarHBondContact O-CG2 3.33Å; F251-V255 PolarHBondContact O-N 3.43Å; V255-L258 PolarHBondContact O-N 2.88Å; V255-Q259 HydrophobicContact CG1-CG 4.46Å; V255-Q259 WeakPolarHBondContact O-CB 3.38Å; V255-Q259 VanDerWaalsContact O-CG 3.27Å; V255-Q259 WeakPolarHBondContact O-CG 3.49Å; V255-Q259 PolarHBondContact O-N 3.26Å |
| 256 | S | 83.9 | Confident | 77.6 | Confident | 69 Ų | 69 | 106.6 Ų | 106.6 | 48% | 0.483 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.2 | -39.8 | 176.6 | -177.2 | 0 | 0 | 0 | 0 | 112.2 | V252 K253 Q259 S260 | V252-S256 WeakPolarHBondContact O-CB 3.32Å; V252-S256 PolarHBondContact O-N 3.44Å; K253-S256 PolarHBondContact O-N 3.35Å; S256-Q259 PolarHBondContact O-N 2.77Å; S256-S260 PolarHBondContact O-N 3.15Å |
| 257 | E | 81.8 | Confident | 76.7 | Confident | 86 Ų | 86 | 107 Ų | 107 | 40% | 0.402 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.5 | -43.2 | 174.9 | -176.3 | 167.6 | -177.2 | 0 | 0 | 111.3 | K253 D254 S260 K263 | K253-E257 WeakPolarHBondContact O-CB 3.23Å; K253-E257 PolarHBondContact O-N 2.89Å; D254-E257 PolarHBondContact O-N 2.89Å; E257-S260 WeakPolarHBondContact O-CB 3.36Å; E257-S260 PolarHBondContact O-N 3.45Å; E257-S260 PolarHBondContact O-OG 2.86Å; E257-K263 HydrophobicContact CG-CD 4.33Å; E257-K263 HydrophobicContact CG-CG 4.19Å; E257-K263 VanDerWaalsContact OE1-CE 3.25Å; E257-K263 WeakPolarHBondContact OE1-CE 3.48Å; E257-K263 IonicContact OE1-NZ 3.82Å; E257-K263 PolarHBondContact OE1-NZ 3.27Å |
| 258 | L | 77.1 | Confident | 75.8 | Confident | 147 Ų | 147 | 109 Ų | 109 | 77% | 0.77 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.5 | -38.5 | 175.7 | -168.6 | 72.7 | 0 | 0 | 0 | 112.5 | D254 V255 S260 | D254-L258 WeakPolarHBondContact O-CB 3.44Å; D254-L258 PolarHBondContact O-N 3.42Å; V255-L258 PolarHBondContact O-N 2.88Å; L258-S260 VanDerWaalsContact C-N 3.26Å; L258-S260 PolarHBondContact O-N 2.92Å |
| 259 | Q | 70.9 | Confident | 75 | Confident | 147 Ų | 147 | 108.3 Ų | 108.3 | 69% | 0.687 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -71.7 | -19.8 | 175.2 | -74.6 | 178.5 | -1.2 | 0 | 0 | 113.1 | V255 S256 E261 | V255-Q259 HydrophobicContact CG1-CG 4.46Å; V255-Q259 WeakPolarHBondContact O-CB 3.38Å; V255-Q259 VanDerWaalsContact O-CG 3.27Å; V255-Q259 WeakPolarHBondContact O-CG 3.49Å; V255-Q259 PolarHBondContact O-N 3.26Å; S256-Q259 PolarHBondContact O-N 2.77Å; Q259-E261 PolarHBondContact O-N 3.11Å |
| 260 | S | 78.2 | Confident | 74 | Confident | 42 Ų | 42 | 109.3 Ų | 109.3 | 29% | 0.294 | 52% | 0.523 | S | S | . | . | trans | -68.8 | 109.3 | -179.3 | 79.9 | 0 | 0 | 0 | 0 | 110.6 | S256 E257 L258 M262 K263 Y264 | S256-S260 PolarHBondContact O-N 3.15Å; E257-S260 WeakPolarHBondContact O-CB 3.36Å; E257-S260 PolarHBondContact O-N 3.45Å; E257-S260 PolarHBondContact O-OG 2.86Å; L258-S260 VanDerWaalsContact C-N 3.26Å; L258-S260 PolarHBondContact O-N 2.92Å; S260-M262 PolarHBondContact O-N 3.05Å; S260-K263 PolarHBondContact O-N 3.45Å; S260-K263 VanDerWaalsContact O-N 3.09Å; S260-K263 WeakPolarHBondContact OG-CB 3.33Å; S260-K263 WeakPolarHBondContact OG-CG 3.18Å; S260-Y264 PolarHBondContact O-N 3.03Å | ||
| 261 | E | 65 | Low | 73 | Confident | 127 Ų | 127 | 108 Ų | 108 | 59% | 0.593 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -58 | -24.2 | -179 | -69.6 | -169.7 | -175 | 0 | 0 | 113.4 | Q259 K265 | Q259-E261 PolarHBondContact O-N 3.11Å; E261-K265 VanDerWaalsContact O-CB 3.24Å; E261-K265 WeakPolarHBondContact O-CB 3.47Å; E261-K265 WeakPolarHBondContact O-CD 3.48Å; E261-K265 WeakPolarHBondContact O-CG 3.28Å; E261-K265 PolarHBondContact O-N 3.17Å; E261-K265 IonicContact OE2-NZ 2.67Å; E261-K265 PolarHBondContact OE2-NZ 3.41Å |
| 262 | M | 67 | Low | 71.7 | Confident | 161 Ų | 161 | 104.8 Ų | 104.8 | 79% | 0.793 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66.5 | -44.1 | 178 | -72.2 | -167.8 | 64 | 0 | 0 | 112 | S260 Q266 | S260-M262 PolarHBondContact O-N 3.05Å; M262-Q266 VanDerWaalsContact O-CB 3.31Å; M262-Q266 WeakPolarHBondContact O-CB 3.45Å; M262-Q266 PolarHBondContact O-N 3.46Å |
| 263 | K | 67.5 | Low | 70.5 | Confident | 87 Ų | 87 | 108.4 Ų | 108.4 | 38% | 0.378 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -68.5 | -45.8 | 176.1 | -75.6 | -89.9 | -175.6 | 150.7 | 0 | 110.7 | E257 S260 K265 Q266 D267 | E257-K263 HydrophobicContact CG-CD 4.33Å; E257-K263 HydrophobicContact CG-CG 4.19Å; E257-K263 VanDerWaalsContact OE1-CE 3.25Å; E257-K263 WeakPolarHBondContact OE1-CE 3.48Å; E257-K263 IonicContact OE1-NZ 3.82Å; E257-K263 PolarHBondContact OE1-NZ 3.27Å; S260-K263 PolarHBondContact O-N 3.45Å; S260-K263 VanDerWaalsContact O-N 3.09Å; S260-K263 WeakPolarHBondContact OG-CB 3.33Å; S260-K263 WeakPolarHBondContact OG-CG 3.18Å; K263-K265 VanDerWaalsContact C-N 3.3Å; K263-K265 PolarHBondContact O-N 3.05Å; K263-Q266 CarbonylContact O-C 3.48Å; K263-Q266 WeakPolarHBondContact O-CA 3.39Å; K263-Q266 WeakPolarHBondContact O-CB 3.21Å; K263-Q266 PolarHBondContact O-N 3.12Å; K263-D267 PolarHBondContact O-N 2.98Å |
| 264 | Y | 61.4 | Low | 69.3 | Low | 156 Ų | 156 | 106.8 Ų | 106.8 | 61% | 0.612 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -56.8 | -42.1 | 175 | -178.9 | -108.7 | 0 | 0 | 0 | 113 | S260 R268 | S260-Y264 PolarHBondContact O-N 3.03Å; Y264-R268 VanDerWaalsContact O-CB 3.24Å; Y264-R268 WeakPolarHBondContact O-CB 3.5Å; Y264-R268 PolarHBondContact O-N 3.05Å |
| 265 | K | 69.8 | Low | 68.2 | Low | 104 Ų | 104 | 108.8 Ų | 108.8 | 45% | 0.452 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -72.9 | -29.6 | 176 | -72.7 | 168.2 | -175.9 | 160.1 | 0 | 112.5 | E261 K263 K269 | E261-K265 VanDerWaalsContact O-CB 3.24Å; E261-K265 WeakPolarHBondContact O-CB 3.47Å; E261-K265 WeakPolarHBondContact O-CD 3.48Å; E261-K265 WeakPolarHBondContact O-CG 3.28Å; E261-K265 PolarHBondContact O-N 3.17Å; E261-K265 IonicContact OE2-NZ 2.67Å; E261-K265 PolarHBondContact OE2-NZ 3.41Å; K263-K265 VanDerWaalsContact C-N 3.3Å; K263-K265 PolarHBondContact O-N 3.05Å; K265-K269 WeakPolarHBondContact O-CB 3.27Å; K265-K269 VanDerWaalsContact O-CG 3.25Å; K265-K269 WeakPolarHBondContact O-CG 3.42Å; K265-K269 PolarHBondContact O-N 3.45Å; K265-K269 VanDerWaalsContact O-N 3.07Å |
| 266 | Q | 70.9 | Confident | 67 | Low | 96 Ų | 96 | 111 Ų | 111 | 45% | 0.449 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -70.2 | -50.2 | 174.8 | 178.6 | 172.9 | -15.7 | 0 | 0 | 110.6 | M262 K263 R268 K269 E270 | M262-Q266 VanDerWaalsContact O-CB 3.31Å; M262-Q266 WeakPolarHBondContact O-CB 3.45Å; M262-Q266 PolarHBondContact O-N 3.46Å; K263-Q266 CarbonylContact O-C 3.48Å; K263-Q266 WeakPolarHBondContact O-CA 3.39Å; K263-Q266 WeakPolarHBondContact O-CB 3.21Å; K263-Q266 PolarHBondContact O-N 3.12Å; Q266-R268 VanDerWaalsContact C-N 3.29Å; Q266-R268 PolarHBondContact O-N 2.99Å; Q266-K269 CarbonylContact O-C 3.53Å; Q266-K269 WeakPolarHBondContact O-CA 3.46Å; Q266-K269 WeakPolarHBondContact O-CB 3.34Å; Q266-K269 PolarHBondContact O-N 2.91Å; Q266-E270 HydrophobicContact CG-CG 4.47Å; Q266-E270 VanDerWaalsContact CG-OE1 3.28Å; Q266-E270 WeakPolarHBondContact CG-OE1 3.36Å; Q266-E270 PolarHBondContact NE2-OE1 3.26Å; Q266-E270 WeakPolarHBondContact O-CG 3.49Å; Q266-E270 PolarHBondContact O-N 2.92Å |
| 267 | D | 63.7 | Low | 66 | Low | 93 Ų | 93 | 111.6 Ų | 111.6 | 50% | 0.497 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61.8 | -39.3 | 177.1 | -67.2 | -8.7 | 0 | 0 | 0 | 110.8 | K263 K269 E270 A271 | K263-D267 PolarHBondContact O-N 2.98Å; D267-K269 VanDerWaalsContact C-N 3.32Å; D267-K269 PolarHBondContact O-N 3.39Å; D267-E270 PolarHBondContact O-N 3.11Å; D267-A271 WeakPolarHBondContact O-CB 3.31Å; D267-A271 PolarHBondContact O-N 3.39Å |
| 268 | R | 65.9 | Low | 65.2 | Low | 125 Ų | 125 | 112.7 Ų | 112.7 | 47% | 0.472 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.5 | -36.3 | 171.5 | -176.5 | 179.2 | 174.8 | -168.5 | 2.2 | 112.8 | Y264 Q266 S272 | Y264-R268 VanDerWaalsContact O-CB 3.24Å; Y264-R268 WeakPolarHBondContact O-CB 3.5Å; Y264-R268 PolarHBondContact O-N 3.05Å; Q266-R268 VanDerWaalsContact C-N 3.29Å; Q266-R268 PolarHBondContact O-N 2.99Å; R268-S272 WeakPolarHBondContact O-CB 3.28Å; R268-S272 PolarHBondContact O-N 2.94Å; R268-S272 PolarHBondContact O-OG 3.05Å |
| 269 | K | 62.4 | Low | 64.8 | Low | 144 Ų | 144 | 110.6 Ų | 110.6 | 63% | 0.626 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -72 | -40.6 | 176.6 | -81.1 | 173 | -177.7 | 177.3 | 0 | 111.3 | K265 Q266 D267 S272 R273 | K265-K269 WeakPolarHBondContact O-CB 3.27Å; K265-K269 VanDerWaalsContact O-CG 3.25Å; K265-K269 WeakPolarHBondContact O-CG 3.42Å; K265-K269 PolarHBondContact O-N 3.45Å; K265-K269 VanDerWaalsContact O-N 3.07Å; Q266-K269 CarbonylContact O-C 3.53Å; Q266-K269 WeakPolarHBondContact O-CA 3.46Å; Q266-K269 WeakPolarHBondContact O-CB 3.34Å; Q266-K269 PolarHBondContact O-N 2.91Å; D267-K269 VanDerWaalsContact C-N 3.32Å; D267-K269 PolarHBondContact O-N 3.39Å; K269-S272 WeakPolarHBondContact CA-OG 3.42Å; K269-S272 PolarHBondContact O-N 3.5Å; K269-S272 PolarHBondContact O-OG 3.02Å; K269-R273 PolarHBondContact O-N 3.27Å; K269-R273 VanDerWaalsContact O-N 3.12Å |
| 270 | E | 63.3 | Low | 64.9 | Low | 103 Ų | 103 | 108.4 Ų | 108.4 | 48% | 0.481 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -68.1 | -41.7 | 176.4 | -70.4 | 179 | -162.2 | 0 | 0 | 111.1 | Q266 D267 S272 R273 | Q266-E270 HydrophobicContact CG-CG 4.47Å; Q266-E270 VanDerWaalsContact CG-OE1 3.28Å; Q266-E270 WeakPolarHBondContact CG-OE1 3.36Å; Q266-E270 PolarHBondContact NE2-OE1 3.26Å; Q266-E270 WeakPolarHBondContact O-CG 3.49Å; Q266-E270 PolarHBondContact O-N 2.92Å; D267-E270 PolarHBondContact O-N 3.11Å; E270-S272 VanDerWaalsContact C-N 3.29Å; E270-S272 PolarHBondContact O-N 3.24Å; E270-R273 WeakPolarHBondContact O-CB 3.44Å; E270-R273 PolarHBondContact O-N 3.34Å |
| 271 | A | 61.6 | Low | 64.4 | Low | 81 Ų | 81 | 112.7 Ų | 112.7 | 67% | 0.669 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -68 | -25.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | D267 R273 | D267-A271 WeakPolarHBondContact O-CB 3.31Å; D267-A271 PolarHBondContact O-N 3.39Å; A271-R273 VanDerWaalsContact C-N 3.34Å |
| 272 | S | 58.2 | Low | 65.3 | Low | 79 Ų | 79 | 110.1 Ų | 110.1 | 55% | 0.552 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -10.7 | 173.8 | 75.6 | 0 | 0 | 0 | 0 | 114 | R268 K269 E270 S274 | R268-S272 WeakPolarHBondContact O-CB 3.28Å; R268-S272 PolarHBondContact O-N 2.94Å; R268-S272 PolarHBondContact O-OG 3.05Å; K269-S272 WeakPolarHBondContact CA-OG 3.42Å; K269-S272 PolarHBondContact O-N 3.5Å; K269-S272 PolarHBondContact O-OG 3.02Å; E270-S272 VanDerWaalsContact C-N 3.29Å; E270-S272 PolarHBondContact O-N 3.24Å; S272-S274 VanDerWaalsContact C-N 3.28Å; S272-S274 PolarHBondContact O-N 3.16Å |
| 273 | R | 59.2 | Low | 65.9 | Low | 172 Ų | 172 | 109 Ų | 109 | 65% | 0.649 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -67.1 | 101.8 | 159.4 | -74.8 | -177.4 | 145.8 | 91.7 | -1.3 | 105.1 | K269 E270 A271 L275 | K269-R273 PolarHBondContact O-N 3.27Å; K269-R273 VanDerWaalsContact O-N 3.12Å; E270-R273 WeakPolarHBondContact O-CB 3.44Å; E270-R273 PolarHBondContact O-N 3.34Å; A271-R273 VanDerWaalsContact C-N 3.34Å; R273-L275 PolarHBondContact O-N 3.22Å; R273-L275 VanDerWaalsContact O-N 3.15Å |
| 274 | S | 59.2 | Low | 66.4 | Low | 76 Ų | 76 | 112.2 Ų | 112.2 | 53% | 0.531 | 58% | 0.576 | S | S | . | * | trans | -40.6 | 126.1 | 174.7 | 171.4 | 0 | 0 | 0 | 0 | 108.6 | S272 F276 S277 | S272-S274 VanDerWaalsContact C-N 3.28Å; S272-S274 PolarHBondContact O-N 3.16Å; S274-F276 PolarHBondContact O-N 2.58Å; S274-F276 WeakPolarHBondContact OG-CB 3.42Å; S274-F276 PolarHBondContact OG-N 2.98Å; S274-S277 PolarHBondContact O-N 2.88Å | ||
| 275 | L | 60.3 | Low | 67.3 | Low | 141 Ų | 141 | 105.8 Ų | 105.8 | 74% | 0.738 | 55% | 0.553 | S | S | * | * | G | 310 helix | trans | -50.9 | -17.5 | 175.3 | -62.2 | 172 | 0 | 0 | 0 | 111.7 | R273 S277 T278 L279 | R273-L275 PolarHBondContact O-N 3.22Å; R273-L275 VanDerWaalsContact O-N 3.15Å; L275-S277 VanDerWaalsContact C-N 3.32Å; L275-S277 PolarHBondContact O-N 2.93Å; L275-T278 PolarHBondContact O-N 3.32Å; L275-T278 PolarHBondContact O-OG1 2.92Å; L275-L279 WeakPolarHBondContact O-CG 3.39Å; L275-L279 PolarHBondContact O-N 2.76Å |
| 276 | F | 59.8 | Low | 67.8 | Low | 95 Ų | 95 | 103.8 Ų | 103.8 | 42% | 0.417 | 55% | 0.546 | S | S | . | . | G | 310 helix | trans | -61.4 | -29.2 | 170.2 | -165.9 | -104.8 | 0 | 0 | 0 | 115 | S274 T278 L279 T285 K289 | S274-F276 PolarHBondContact O-N 2.58Å; S274-F276 WeakPolarHBondContact OG-CB 3.42Å; S274-F276 PolarHBondContact OG-N 2.98Å; F276-T278 VanDerWaalsContact C-N 3.31Å; F276-L279 HydrophobicContact CD2-CD1 4.41Å; F276-T285 HydrophobicContact CE2-CG2 3.92Å; F276-T285 HydrophobicContact CZ-CG2 4.03Å; F276-K289 HydrophobicContact CE1-CG 4.48Å |
| 277 | S | 63.3 | Low | 68.4 | Low | 82 Ų | 82 | 104.9 Ų | 104.9 | 57% | 0.573 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -78.6 | -16.3 | 179.3 | 94.2 | 0 | 0 | 0 | 0 | 113.4 | S274 L275 | S274-S277 PolarHBondContact O-N 2.88Å; L275-S277 VanDerWaalsContact C-N 3.32Å; L275-S277 PolarHBondContact O-N 2.93Å |
| 278 | T | 64.6 | Low | 69.2 | Low | 109 Ų | 109 | 103 Ų | 103 | 67% | 0.669 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | -9.5 | 178.8 | 56.4 | 0 | 0 | 0 | 0 | 112.2 | L275 F276 | L275-T278 PolarHBondContact O-N 3.32Å; L275-T278 PolarHBondContact O-OG1 2.92Å; F276-T278 VanDerWaalsContact C-N 3.31Å |
| 279 | L | 69.1 | Low | 70 | Confident | 102 Ų | 102 | 100.9 Ų | 100.9 | 53% | 0.534 | 54% | 0.543 | S | S | . | . | S | Bend | trans | -72 | 139.9 | 172.9 | -71.5 | 172.8 | 0 | 0 | 0 | 110.6 | L275 F276 E281 | L275-L279 WeakPolarHBondContact O-CG 3.39Å; L275-L279 PolarHBondContact O-N 2.76Å; F276-L279 HydrophobicContact CD2-CD1 4.41Å; L279-E281 PolarHBondContact O-N 2.86Å |
| 280 | P | 72.6 | Confident | 70.9 | Confident | 102 Ų | 102 | 99.7 Ų | 99.7 | 66% | 0.662 | 54% | 0.539 | S | S | * | . | trans | -54.9 | 134.6 | 171.4 | -21.9 | 31.6 | 0 | 0 | 0 | 110.6 | T282 | P280-T282 VanDerWaalsContact C-N 3.33Å; P280-T282 PolarHBondContact O-N 3.34Å | ||
| 281 | E | 68.4 | Low | 71.9 | Confident | 131 Ų | 131 | 98.5 Ų | 98.5 | 61% | 0.612 | 54% | 0.539 | S | S | * | . | trans | -66.9 | 93 | 175.7 | -72.8 | -171.8 | 150.4 | 0 | 0 | 110 | L279 T285 I286 K289 | L279-E281 PolarHBondContact O-N 2.86Å; E281-T285 WeakPolarHBondContact CA-OG1 3.44Å; E281-I286 HydrophobicContact CB-CG1 4.47Å; E281-K289 IonicContact OE1-NZ 2.85Å; E281-K289 PolarHBondContact OE1-NZ 3.11Å | ||
| 282 | T | 82.8 | Confident | 72.7 | Confident | 73 Ų | 73 | 98.2 Ų | 98.2 | 45% | 0.448 | 53% | 0.532 | S | S | . | . | trans | -80.8 | 158.4 | 169.3 | 61.3 | 0 | 0 | 0 | 0 | 109.6 | P280 E284 T285 I286 | P280-T282 VanDerWaalsContact C-N 3.33Å; P280-T282 PolarHBondContact O-N 3.34Å; T282-E284 PolarHBondContact O-N 3.09Å; T282-E284 VanDerWaalsContact O-N 3.13Å; T282-T285 PolarHBondContact N-OG1 3.18Å; T282-T285 PolarHBondContact O-N 2.72Å; T282-T285 PolarHBondContact O-OG1 2.87Å; T282-T285 WeakPolarHBondContact OG1-CG2 3.25Å; T282-I286 PolarHBondContact O-N 3.44Å; T282-I286 VanDerWaalsContact O-N 3.1Å | ||
| 283 | L | 80.1 | Confident | 73.5 | Confident | 139 Ų | 139 | 98.2 Ų | 98.2 | 73% | 0.728 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -53 | -36.1 | 177.9 | -73.4 | 168.6 | 0 | 0 | 0 | 112.7 | I286 Q287 | L283-I286 PolarHBondContact O-N 3.04Å; L283-Q287 WeakPolarHBondContact O-CG 3.5Å; L283-Q287 PolarHBondContact O-N 2.63Å |
| 284 | E | 77.8 | Confident | 74.4 | Confident | 154 Ų | 154 | 96.6 Ų | 96.6 | 72% | 0.72 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -66.6 | -39 | 176.4 | -67.9 | -179.9 | 176.1 | 0 | 0 | 112.4 | T282 I286 Q287 A288 | T282-E284 PolarHBondContact O-N 3.09Å; T282-E284 VanDerWaalsContact O-N 3.13Å; E284-I286 VanDerWaalsContact C-N 3.32Å; E284-I286 PolarHBondContact O-N 3.06Å; E284-Q287 PolarHBondContact O-N 3.43Å; E284-A288 WeakPolarHBondContact O-CB 3.38Å; E284-A288 PolarHBondContact O-N 3.47Å |
| 285 | T | 80.3 | Confident | 75.1 | Confident | 21 Ų | 21 | 99 Ų | 99 | 13% | 0.129 | 54% | 0.535 | C | S | . | . | H | α-helix | trans | -68.5 | -32.5 | 176.2 | 63.3 | 0 | 0 | 0 | 0 | 112.4 | F276 E281 T282 K289 | F276-T285 HydrophobicContact CE2-CG2 3.92Å; F276-T285 HydrophobicContact CZ-CG2 4.03Å; E281-T285 WeakPolarHBondContact CA-OG1 3.44Å; T282-T285 PolarHBondContact N-OG1 3.18Å; T282-T285 PolarHBondContact O-N 2.72Å; T282-T285 PolarHBondContact O-OG1 2.87Å; T282-T285 WeakPolarHBondContact OG1-CG2 3.25Å; T285-K289 VanDerWaalsContact O-CG 3.27Å; T285-K289 WeakPolarHBondContact O-CG 3.47Å; T285-K289 PolarHBondContact O-N 3.17Å |
| 286 | I | 80.9 | Confident | 76.1 | Confident | 62 Ų | 62 | 95.2 Ų | 95.2 | 32% | 0.318 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.8 | -48.1 | 174.5 | -63.3 | 170.7 | 0 | 0 | 0 | 109.6 | E281 T282 L283 E284 A288 K289 E290 | E281-I286 HydrophobicContact CB-CG1 4.47Å; T282-I286 PolarHBondContact O-N 3.44Å; T282-I286 VanDerWaalsContact O-N 3.1Å; L283-I286 PolarHBondContact O-N 3.04Å; E284-I286 VanDerWaalsContact C-N 3.32Å; E284-I286 PolarHBondContact O-N 3.06Å; I286-A288 VanDerWaalsContact C-N 3.33Å; I286-A288 PolarHBondContact O-N 2.92Å; I286-K289 WeakPolarHBondContact O-CB 3.43Å; I286-K289 PolarHBondContact O-N 3.37Å; I286-K289 VanDerWaalsContact O-N 3.15Å; I286-E290 PolarHBondContact O-N 2.99Å |
| 287 | Q | 83.3 | Confident | 76.7 | Confident | 119 Ų | 119 | 96.4 Ų | 96.4 | 56% | 0.556 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60 | -42.1 | 175.9 | -72.3 | 178.1 | -1.7 | 0 | 0 | 112 | L283 E284 K289 E290 V291 | L283-Q287 WeakPolarHBondContact O-CG 3.5Å; L283-Q287 PolarHBondContact O-N 2.63Å; E284-Q287 PolarHBondContact O-N 3.43Å; Q287-K289 VanDerWaalsContact C-N 3.33Å; Q287-K289 PolarHBondContact O-N 2.73Å; Q287-E290 PolarHBondContact O-N 2.95Å; Q287-V291 WeakPolarHBondContact O-CB 3.36Å; Q287-V291 VanDerWaalsContact O-CG2 3.26Å; Q287-V291 WeakPolarHBondContact O-CG2 3.39Å; Q287-V291 PolarHBondContact O-N 3.46Å |
| 288 | A | 81.1 | Confident | 77.2 | Confident | 52 Ų | 52 | 97.4 Ų | 97.4 | 43% | 0.43 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.9 | -37.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | E284 I286 S292 | E284-A288 WeakPolarHBondContact O-CB 3.38Å; E284-A288 PolarHBondContact O-N 3.47Å; I286-A288 VanDerWaalsContact C-N 3.33Å; I286-A288 PolarHBondContact O-N 2.92Å; A288-S292 VanDerWaalsContact O-CB 3.23Å; A288-S292 WeakPolarHBondContact O-CB 3.45Å; A288-S292 PolarHBondContact O-N 2.88Å |
| 289 | K | 80.9 | Confident | 77.5 | Confident | 81 Ų | 81 | 96.4 Ų | 96.4 | 35% | 0.352 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.6 | -46.8 | 173.5 | -76 | 175.4 | -174.6 | -174.4 | 0 | 111.5 | F276 E281 T285 I286 Q287 S292 D293 | F276-K289 HydrophobicContact CE1-CG 4.48Å; E281-K289 IonicContact OE1-NZ 2.85Å; E281-K289 PolarHBondContact OE1-NZ 3.11Å; T285-K289 VanDerWaalsContact O-CG 3.27Å; T285-K289 WeakPolarHBondContact O-CG 3.47Å; T285-K289 PolarHBondContact O-N 3.17Å; I286-K289 WeakPolarHBondContact O-CB 3.43Å; I286-K289 PolarHBondContact O-N 3.37Å; I286-K289 VanDerWaalsContact O-N 3.15Å; Q287-K289 VanDerWaalsContact C-N 3.33Å; Q287-K289 PolarHBondContact O-N 2.73Å; K289-S292 PolarHBondContact O-N 2.66Å; K289-D293 WeakPolarHBondContact O-CB 3.35Å; K289-D293 PolarHBondContact O-N 2.86Å |
| 290 | E | 82.4 | Confident | 77.6 | Confident | 119 Ų | 119 | 99.7 Ų | 99.7 | 56% | 0.556 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.7 | -44.5 | 177.2 | -71.3 | 177 | 178.5 | 0 | 0 | 111.8 | I286 Q287 D293 L294 | I286-E290 PolarHBondContact O-N 2.99Å; Q287-E290 PolarHBondContact O-N 2.95Å; E290-D293 PolarHBondContact O-N 3.07Å; E290-L294 WeakPolarHBondContact O-CG 3.38Å; E290-L294 PolarHBondContact O-N 3.22Å |
| 291 | V | 83.2 | Confident | 77.8 | Confident | 79 Ų | 79 | 100.1 Ų | 100.1 | 48% | 0.479 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.9 | -42.6 | 175.6 | 170.8 | 0 | 0 | 0 | 0 | 111 | Q287 D293 L294 I295 | Q287-V291 WeakPolarHBondContact O-CB 3.36Å; Q287-V291 VanDerWaalsContact O-CG2 3.26Å; Q287-V291 WeakPolarHBondContact O-CG2 3.39Å; Q287-V291 PolarHBondContact O-N 3.46Å; V291-D293 VanDerWaalsContact C-N 3.28Å; V291-D293 PolarHBondContact O-N 3.23Å; V291-L294 PolarHBondContact O-N 3.42Å; V291-I295 HydrophobicContact CG1-CD1 3.57Å; V291-I295 HydrophobicContact CG1-CG1 4.33Å; V291-I295 WeakPolarHBondContact O-CB 3.27Å; V291-I295 VanDerWaalsContact O-CG1 3.24Å; V291-I295 WeakPolarHBondContact O-CG1 3.48Å; V291-I295 PolarHBondContact O-N 2.78Å |
| 292 | S | 79.8 | Confident | 78.2 | Confident | 74 Ų | 74 | 98.7 Ų | 98.7 | 52% | 0.517 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.1 | -35.9 | 175.4 | -176.4 | 0 | 0 | 0 | 0 | 112.2 | A288 K289 N296 | A288-S292 VanDerWaalsContact O-CB 3.23Å; A288-S292 WeakPolarHBondContact O-CB 3.45Å; A288-S292 PolarHBondContact O-N 2.88Å; K289-S292 PolarHBondContact O-N 2.66Å; S292-N296 WeakPolarHBondContact O-CB 3.46Å; S292-N296 PolarHBondContact O-N 3.02Å |
| 293 | D | 75.3 | Confident | 77.8 | Confident | 79 Ų | 79 | 99.1 Ų | 99.1 | 42% | 0.422 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -70.8 | -34.9 | 176.3 | -88.5 | -28.8 | 0 | 0 | 0 | 112.3 | K289 E290 V291 N296 K299 | K289-D293 WeakPolarHBondContact O-CB 3.35Å; K289-D293 PolarHBondContact O-N 2.86Å; E290-D293 PolarHBondContact O-N 3.07Å; V291-D293 VanDerWaalsContact C-N 3.28Å; V291-D293 PolarHBondContact O-N 3.23Å; D293-N296 VanDerWaalsContact O-CB 3.31Å; D293-N296 WeakPolarHBondContact O-CB 3.24Å; D293-N296 PolarHBondContact O-N 3.21Å; D293-K299 IonicContact OD1-NZ 2.68Å; D293-K299 PolarHBondContact OD1-NZ 2.9Å; D293-K299 IonicContact OD2-NZ 2.57Å; D293-K299 PolarHBondContact OD2-NZ 2.92Å |
| 294 | L | 76.6 | Confident | 77.5 | Confident | 138 Ų | 138 | 94.5 Ų | 94.5 | 72% | 0.723 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -70.7 | -37.4 | 172.8 | -71.6 | 171.4 | 0 | 0 | 0 | 112.5 | E290 V291 N296 | E290-L294 WeakPolarHBondContact O-CG 3.38Å; E290-L294 PolarHBondContact O-N 3.22Å; V291-L294 PolarHBondContact O-N 3.42Å; L294-N296 PolarHBondContact O-N 3.18Å |
| 295 | I | 75.7 | Confident | 77.2 | Confident | 127 Ų | 127 | 94 Ų | 94 | 65% | 0.651 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -74.7 | -16 | 176 | -66.5 | 168.6 | 0 | 0 | 0 | 111.3 | V291 E297 | V291-I295 HydrophobicContact CG1-CD1 3.57Å; V291-I295 HydrophobicContact CG1-CG1 4.33Å; V291-I295 WeakPolarHBondContact O-CB 3.27Å; V291-I295 VanDerWaalsContact O-CG1 3.24Å; V291-I295 WeakPolarHBondContact O-CG1 3.48Å; V291-I295 PolarHBondContact O-N 2.78Å; I295-E297 PolarHBondContact O-N 3.48Å |
| 296 | N | 80.6 | Confident | 76.8 | Confident | 62 Ų | 62 | 97.7 Ų | 97.7 | 33% | 0.332 | 50% | 0.497 | S | S | . | . | trans | -63.2 | 98.9 | 179.1 | -169.8 | -11 | 0 | 0 | 0 | 110.7 | S292 D293 L294 V298 K299 Y300 | S292-N296 WeakPolarHBondContact O-CB 3.46Å; S292-N296 PolarHBondContact O-N 3.02Å; D293-N296 VanDerWaalsContact O-CB 3.31Å; D293-N296 WeakPolarHBondContact O-CB 3.24Å; D293-N296 PolarHBondContact O-N 3.21Å; L294-N296 PolarHBondContact O-N 3.18Å; N296-V298 PolarHBondContact O-N 3.13Å; N296-V298 PolarHBondContact OD1-N 3.07Å; N296-K299 HydrophobicContact CB-CD 4.38Å; N296-K299 HydrophobicContact CB-CG 4.45Å; N296-K299 PolarHBondContact O-N 3.46Å; N296-Y300 PolarHBondContact O-N 3.34Å; N296-Y300 VanDerWaalsContact O-N 3.11Å | ||
| 297 | E | 72.7 | Confident | 76.1 | Confident | 120 Ų | 120 | 100.2 Ų | 100.2 | 56% | 0.561 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -56.6 | -28.2 | -173.7 | -170.1 | 178.5 | -176.3 | 0 | 0 | 112.9 | I295 K301 | I295-E297 PolarHBondContact O-N 3.48Å; E297-K301 VanDerWaalsContact CD-NZ 3.32Å; E297-K301 HydrophobicContact CG-CD 4.12Å; E297-K301 HydrophobicContact CG-CG 4.42Å; E297-K301 WeakPolarHBondContact O-CB 3.43Å; E297-K301 VanDerWaalsContact O-CG 3.27Å; E297-K301 WeakPolarHBondContact O-CG 3.25Å; E297-K301 PolarHBondContact O-N 3.47Å; E297-K301 WeakPolarHBondContact OE1-CE 3.39Å; E297-K301 IonicContact OE1-NZ 2.63Å; E297-K301 PolarHBondContact OE1-NZ 3.48Å |
| 298 | V | 72.9 | Confident | 75.1 | Confident | 103 Ų | 103 | 100.4 Ų | 100.4 | 62% | 0.624 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67.7 | -46.3 | 177.5 | 179.4 | 0 | 0 | 0 | 0 | 110.9 | N296 K301 E302 | N296-V298 PolarHBondContact O-N 3.13Å; N296-V298 PolarHBondContact OD1-N 3.07Å; V298-K301 PolarHBondContact O-N 3.14Å; V298-E302 WeakPolarHBondContact O-CB 3.27Å; V298-E302 PolarHBondContact O-N 2.87Å |
| 299 | K | 70.6 | Confident | 74.2 | Confident | 88 Ų | 88 | 104.2 Ų | 104.2 | 38% | 0.383 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65 | -43.7 | 176.6 | -69.4 | -178.5 | 175.8 | 175.9 | 0 | 110.3 | D293 N296 K301 E302 D303 | D293-K299 IonicContact OD1-NZ 2.68Å; D293-K299 PolarHBondContact OD1-NZ 2.9Å; D293-K299 IonicContact OD2-NZ 2.57Å; D293-K299 PolarHBondContact OD2-NZ 2.92Å; N296-K299 HydrophobicContact CB-CD 4.38Å; N296-K299 HydrophobicContact CB-CG 4.45Å; N296-K299 PolarHBondContact O-N 3.46Å; K299-K301 PolarHBondContact O-N 3.06Å; K299-E302 PolarHBondContact O-N 3.13Å; K299-D303 PolarHBondContact O-N 2.96Å |
| 300 | Y | 71.6 | Confident | 73.5 | Confident | 170 Ų | 170 | 105.9 Ų | 105.9 | 67% | 0.667 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -59.4 | -44.3 | 176.7 | -179 | -100.4 | 0 | 0 | 0 | 113.1 | N296 G304 | N296-Y300 PolarHBondContact O-N 3.34Å; N296-Y300 VanDerWaalsContact O-N 3.11Å; Y300-G304 PolarHBondContact O-N 3.04Å |
| 301 | K | 77.3 | Confident | 72.5 | Confident | 112 Ų | 112 | 105 Ų | 105 | 49% | 0.487 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -68.5 | -34.8 | 177.1 | -76.1 | 176 | -179.1 | 168 | 0 | 112.7 | E297 V298 K299 K305 | E297-K301 VanDerWaalsContact CD-NZ 3.32Å; E297-K301 HydrophobicContact CG-CD 4.12Å; E297-K301 HydrophobicContact CG-CG 4.42Å; E297-K301 WeakPolarHBondContact O-CB 3.43Å; E297-K301 VanDerWaalsContact O-CG 3.27Å; E297-K301 WeakPolarHBondContact O-CG 3.25Å; E297-K301 PolarHBondContact O-N 3.47Å; E297-K301 WeakPolarHBondContact OE1-CE 3.39Å; E297-K301 IonicContact OE1-NZ 2.63Å; E297-K301 PolarHBondContact OE1-NZ 3.48Å; V298-K301 PolarHBondContact O-N 3.14Å; K299-K301 PolarHBondContact O-N 3.06Å; K301-K305 VanDerWaalsContact O-CG 3.27Å; K301-K305 WeakPolarHBondContact O-CG 3.49Å; K301-K305 PolarHBondContact O-N 3.26Å; K301-K305 VanDerWaalsContact O-N 3.13Å |
| 302 | E | 77.5 | Confident | 71.3 | Confident | 100 Ų | 100 | 108.4 Ų | 108.4 | 47% | 0.467 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -68.3 | -46.3 | 176.9 | -168 | -171 | 150.5 | 0 | 0 | 111.3 | V298 K299 K305 K306 | V298-E302 WeakPolarHBondContact O-CB 3.27Å; V298-E302 PolarHBondContact O-N 2.87Å; K299-E302 PolarHBondContact O-N 3.13Å; E302-K305 WeakPolarHBondContact O-CB 3.18Å; E302-K305 PolarHBondContact O-N 3.03Å; E302-K306 WeakPolarHBondContact O-CG 3.35Å; E302-K306 PolarHBondContact O-N 3.31Å; E302-K306 VanDerWaalsContact OE1-CE 3.24Å; E302-K306 WeakPolarHBondContact OE1-CE 3.32Å; E302-K306 IonicContact OE1-NZ 2.76Å; E302-K306 PolarHBondContact OE1-NZ 3.25Å |
| 303 | D | 73.1 | Confident | 70.3 | Confident | 83 Ų | 83 | 114.8 Ų | 114.8 | 44% | 0.444 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -68.6 | -38.4 | 178.4 | -66.5 | -21.1 | 0 | 0 | 0 | 111.1 | K299 K305 K306 E307 | K299-D303 PolarHBondContact O-N 2.96Å; D303-K305 VanDerWaalsContact C-N 3.28Å; D303-K305 PolarHBondContact O-N 3.47Å; D303-K306 WeakPolarHBondContact O-CB 3.36Å; D303-K306 PolarHBondContact O-N 3.38Å; D303-K306 VanDerWaalsContact O-N 3.09Å; D303-K306 IonicContact OD1-NZ 2.7Å; D303-K306 PolarHBondContact OD1-NZ 3.04Å; D303-E307 WeakPolarHBondContact O-CG 3.3Å; D303-E307 PolarHBondContact O-N 2.67Å |
| 304 | G | 74.4 | Confident | 69.5 | Low | 41 Ų | 41 | 114.5 Ų | 114.5 | 42% | 0.423 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -58.8 | -36.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y300 M308 | Y300-G304 PolarHBondContact O-N 3.04Å; G304-M308 WeakPolarHBondContact O-CB 3.34Å; G304-M308 PolarHBondContact O-N 3.14Å |
| 305 | K | 71.4 | Confident | 68.7 | Low | 144 Ų | 144 | 111.7 Ų | 111.7 | 63% | 0.626 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -70.9 | -37.1 | 173.6 | -74.3 | 171.5 | -177.2 | -178.2 | 0 | 112.3 | K301 E302 D303 M308 N309 | K301-K305 VanDerWaalsContact O-CG 3.27Å; K301-K305 WeakPolarHBondContact O-CG 3.49Å; K301-K305 PolarHBondContact O-N 3.26Å; K301-K305 VanDerWaalsContact O-N 3.13Å; E302-K305 WeakPolarHBondContact O-CB 3.18Å; E302-K305 PolarHBondContact O-N 3.03Å; D303-K305 VanDerWaalsContact C-N 3.28Å; D303-K305 PolarHBondContact O-N 3.47Å; K305-M308 PolarHBondContact O-N 3.18Å; K305-N309 PolarHBondContact O-N 2.67Å; K305-N309 PolarHBondContact O-ND2 2.69Å |
| 306 | K | 71.4 | Confident | 68.2 | Low | 98 Ų | 98 | 111.4 Ų | 111.4 | 43% | 0.426 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64 | -45.9 | 174.9 | -70 | 170.5 | -169.8 | 152.7 | 0 | 110.9 | E302 D303 M308 N309 V310 | E302-K306 WeakPolarHBondContact O-CG 3.35Å; E302-K306 PolarHBondContact O-N 3.31Å; E302-K306 VanDerWaalsContact OE1-CE 3.24Å; E302-K306 WeakPolarHBondContact OE1-CE 3.32Å; E302-K306 IonicContact OE1-NZ 2.76Å; E302-K306 PolarHBondContact OE1-NZ 3.25Å; D303-K306 WeakPolarHBondContact O-CB 3.36Å; D303-K306 PolarHBondContact O-N 3.38Å; D303-K306 VanDerWaalsContact O-N 3.09Å; D303-K306 IonicContact OD1-NZ 2.7Å; D303-K306 PolarHBondContact OD1-NZ 3.04Å; K306-M308 VanDerWaalsContact C-N 3.32Å; K306-M308 PolarHBondContact O-N 3.47Å; K306-N309 WeakPolarHBondContact O-CB 3.3Å; K306-N309 PolarHBondContact O-N 3.36Å; K306-N309 VanDerWaalsContact O-N 3.16Å; K306-V310 PolarHBondContact O-N 2.83Å |
| 307 | E | 66.8 | Low | 67.6 | Low | 116 Ų | 116 | 113.4 Ų | 113.4 | 54% | 0.542 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -64.4 | -35 | 176.2 | -66.8 | -60.4 | 140.9 | 0 | 0 | 112.2 | D303 N309 V310 N311 | D303-E307 WeakPolarHBondContact O-CG 3.3Å; D303-E307 PolarHBondContact O-N 2.67Å; E307-N309 VanDerWaalsContact C-N 3.26Å; E307-N309 PolarHBondContact O-N 3.24Å; E307-V310 PolarHBondContact O-N 3.43Å; E307-V310 VanDerWaalsContact O-N 3.1Å; E307-N311 WeakPolarHBondContact O-CB 3.35Å; E307-N311 PolarHBondContact O-N 3.11Å |
| 308 | M | 62.6 | Low | 67.2 | Low | 123 Ų | 123 | 114.2 Ų | 114.2 | 61% | 0.606 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -65.2 | -27.5 | 174.7 | -174.5 | 158 | 151 | 0 | 0 | 113.3 | G304 K305 K306 S314 | G304-M308 WeakPolarHBondContact O-CB 3.34Å; G304-M308 PolarHBondContact O-N 3.14Å; K305-M308 PolarHBondContact O-N 3.18Å; K306-M308 VanDerWaalsContact C-N 3.32Å; K306-M308 PolarHBondContact O-N 3.47Å; M308-S314 WeakPolarHBondContact O-CB 3.48Å; M308-S314 PolarHBondContact O-OG 2.83Å |
| 309 | N | 61.3 | Low | 67.5 | Low | 132 Ų | 132 | 112.9 Ų | 112.9 | 71% | 0.706 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -79.1 | -18.7 | 173.5 | -66.5 | -43.7 | 0 | 0 | 0 | 113.2 | K305 K306 E307 | K305-N309 PolarHBondContact O-N 2.67Å; K305-N309 PolarHBondContact O-ND2 2.69Å; K306-N309 WeakPolarHBondContact O-CB 3.3Å; K306-N309 PolarHBondContact O-N 3.36Å; K306-N309 VanDerWaalsContact O-N 3.16Å; E307-N309 VanDerWaalsContact C-N 3.26Å; E307-N309 PolarHBondContact O-N 3.24Å |
| 310 | V | 65.3 | Low | 68 | Low | 115 Ų | 115 | 114.2 Ų | 114.2 | 70% | 0.697 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -96.4 | -26.5 | 179.2 | 179.5 | 0 | 0 | 0 | 0 | 111.4 | K306 E307 L312 | K306-V310 PolarHBondContact O-N 2.83Å; E307-V310 PolarHBondContact O-N 3.43Å; E307-V310 VanDerWaalsContact O-N 3.1Å; V310-L312 PolarHBondContact O-N 3.3Å |
| 311 | N | 62 | Low | 68.4 | Low | 100 Ų | 100 | 112.1 Ų | 112.1 | 54% | 0.535 | 59% | 0.589 | S | S | . | * | S | Bend | trans | -68.5 | 126.8 | -178.4 | -98.6 | -12.8 | 0 | 0 | 0 | 112.8 | E307 Y313 S314 | E307-N311 WeakPolarHBondContact O-CB 3.35Å; E307-N311 PolarHBondContact O-N 3.11Å; N311-Y313 PolarHBondContact O-N 2.88Å; N311-S314 WeakPolarHBondContact O-CB 3.46Å; N311-S314 PolarHBondContact O-N 3.41Å |
| 312 | L | 57.8 | Low | 68.5 | Low | 152 Ų | 152 | 110 Ų | 110 | 80% | 0.796 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.9 | -21.9 | -179.8 | -151.9 | 77 | 0 | 0 | 0 | 113.7 | V310 A315 | V310-L312 PolarHBondContact O-N 3.3Å; L312-A315 PolarHBondContact O-N 2.88Å |
| 313 | Y | 59.3 | Low | 68.6 | Low | 208 Ų | 208 | 109.7 Ų | 109.7 | 82% | 0.816 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | -28 | 177.5 | -154.4 | -97.3 | 0 | 0 | 0 | 113.2 | N311 A315 M316 | N311-Y313 PolarHBondContact O-N 2.88Å; Y313-A315 VanDerWaalsContact C-N 3.31Å; Y313-M316 PolarHBondContact O-N 3.43Å |
| 314 | S | 59.5 | Low | 69.1 | Low | 72 Ų | 72 | 110.8 Ų | 110.8 | 50% | 0.503 | 59% | 0.587 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.8 | -24.4 | 172.9 | -178.1 | 0 | 0 | 0 | 0 | 112.2 | M308 N311 M316 | M308-S314 WeakPolarHBondContact O-CB 3.48Å; M308-S314 PolarHBondContact O-OG 2.83Å; N311-S314 WeakPolarHBondContact O-CB 3.46Å; N311-S314 PolarHBondContact O-N 3.41Å; S314-M316 VanDerWaalsContact C-N 3.33Å |
| 315 | A | 59 | Low | 69.5 | Low | 79 Ų | 79 | 111.8 Ų | 111.8 | 65% | 0.653 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | 3.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | L312 Y313 | L312-A315 PolarHBondContact O-N 2.88Å; Y313-A315 VanDerWaalsContact C-N 3.31Å |
| 316 | M | 64.6 | Low | 69.9 | Low | 121 Ų | 121 | 108.9 Ų | 108.9 | 60% | 0.596 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -70.1 | 134.4 | 175.6 | -77.6 | -67.4 | -63.1 | 0 | 0 | 110 | Y313 S314 E318 | Y313-M316 PolarHBondContact O-N 3.43Å; S314-M316 VanDerWaalsContact C-N 3.33Å; M316-E318 PolarHBondContact O-N 3.48Å |
| 317 | P | 67.6 | Low | 70.4 | Confident | 105 Ų | 105 | 108.5 Ų | 108.5 | 68% | 0.682 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -55 | 130.5 | 173.3 | -22.7 | 32.2 | 0 | 0 | 0 | 110.3 | T319 | P317-T319 PolarHBondContact O-N 3.21Š|
| 318 | E | 65.9 | Low | 71.1 | Confident | 137 Ų | 137 | 105 Ų | 105 | 64% | 0.64 | 57% | 0.569 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 118.2 | 175.5 | -75.5 | -178.1 | 168.3 | 0 | 0 | 109.1 | M316 | M316-E318 PolarHBondContact O-N 3.48Š|
| 319 | T | 79.2 | Confident | 71.9 | Confident | 75 Ų | 75 | 102.8 Ų | 102.8 | 46% | 0.46 | 57% | 0.566 | S | S | . | * | P | Polyproline II helix | trans | -70.2 | 156.6 | 172.2 | 60.7 | 0 | 0 | 0 | 0 | 109.9 | P317 D321 T322 Q323 | P317-T319 PolarHBondContact O-N 3.21Å; T319-D321 PolarHBondContact O-N 2.94Å; T319-D321 VanDerWaalsContact O-N 3.14Å; T319-T322 PolarHBondContact N-OG1 3.25Å; T319-T322 PolarHBondContact O-N 2.77Å; T319-T322 PolarHBondContact O-OG1 2.89Å; T319-T322 PolarHBondContact OG1-N 3.5Å; T319-T322 PolarHBondContact OG1-OG1 3.38Å; T319-Q323 PolarHBondContact O-N 3.38Å |
| 320 | I | 80.6 | Confident | 72.6 | Confident | 115 Ų | 115 | 99.3 Ų | 99.3 | 59% | 0.59 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -55.2 | -35 | 177 | -63.7 | 173.4 | 0 | 0 | 0 | 110.9 | Q323 H324 | I320-Q323 PolarHBondContact O-N 3.45Å; I320-H324 WeakPolarHBondContact CG2-CE1 3.22Å; I320-H324 VanDerWaalsContact O-CG 3.31Å; I320-H324 PolarHBondContact O-N 3.44Å; I320-H324 PolarHBondContact O-ND1 2.94Å |
| 321 | D | 80.6 | Confident | 73 | Confident | 126 Ų | 126 | 100.8 Ų | 100.8 | 67% | 0.674 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -68.5 | -38.5 | 178.2 | -62.9 | -33.2 | 0 | 0 | 0 | 112.8 | T319 Q323 H324 A325 | T319-D321 PolarHBondContact O-N 2.94Å; T319-D321 VanDerWaalsContact O-N 3.14Å; D321-Q323 VanDerWaalsContact C-N 3.33Å; D321-H324 PolarHBondContact O-N 2.86Å; D321-A325 WeakPolarHBondContact O-CB 3.44Å; D321-A325 PolarHBondContact O-N 3.42Å |
| 322 | T | 79.3 | Confident | 73.5 | Confident | 69 Ų | 69 | 103.4 Ų | 103.4 | 42% | 0.423 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -68.4 | -34.5 | 174.6 | 44.4 | 0 | 0 | 0 | 0 | 111.9 | T319 A325 K326 | T319-T322 PolarHBondContact N-OG1 3.25Å; T319-T322 PolarHBondContact O-N 2.77Å; T319-T322 PolarHBondContact O-OG1 2.89Å; T319-T322 PolarHBondContact OG1-N 3.5Å; T319-T322 PolarHBondContact OG1-OG1 3.38Å; T322-A325 PolarHBondContact O-N 3.32Å; T322-K326 PolarHBondContact O-N 3.45Å |
| 323 | Q | 79.2 | Confident | 74.2 | Confident | 92 Ų | 92 | 98 Ų | 98 | 43% | 0.43 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.3 | -46.6 | 174.9 | -172 | 175.3 | -2.2 | 0 | 0 | 111.2 | T319 I320 D321 A325 K326 E327 | T319-Q323 PolarHBondContact O-N 3.38Å; I320-Q323 PolarHBondContact O-N 3.45Å; D321-Q323 VanDerWaalsContact C-N 3.33Å; Q323-A325 VanDerWaalsContact C-N 3.3Å; Q323-A325 PolarHBondContact O-N 2.85Å; Q323-K326 PolarHBondContact O-N 2.92Å; Q323-E327 PolarHBondContact NE2-OE1 2.81Å; Q323-E327 WeakPolarHBondContact O-CG 3.38Å; Q323-E327 PolarHBondContact O-N 3.2Å |
| 324 | H | 82.9 | Confident | 74.5 | Confident | 107 Ų | 107 | 93.6 Ų | 93.6 | 50% | 0.495 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.4 | -38.4 | 174.6 | -69.2 | 159.7 | 0 | 0 | 0 | 112.6 | I320 D321 E327 A328 | I320-H324 WeakPolarHBondContact CG2-CE1 3.22Å; I320-H324 VanDerWaalsContact O-CG 3.31Å; I320-H324 PolarHBondContact O-N 3.44Å; I320-H324 PolarHBondContact O-ND1 2.94Å; D321-H324 PolarHBondContact O-N 2.86Å; H324-E327 PolarHBondContact O-N 3.45Å; H324-A328 WeakPolarHBondContact O-CB 3.42Å; H324-A328 PolarHBondContact O-N 3.08Å |
| 325 | A | 82.2 | Confident | 74.9 | Confident | 61 Ų | 61 | 95.5 Ų | 95.5 | 50% | 0.504 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.8 | -38.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | D321 T322 Q323 S329 | D321-A325 WeakPolarHBondContact O-CB 3.44Å; D321-A325 PolarHBondContact O-N 3.42Å; T322-A325 PolarHBondContact O-N 3.32Å; Q323-A325 VanDerWaalsContact C-N 3.3Å; Q323-A325 PolarHBondContact O-N 2.85Å; A325-S329 WeakPolarHBondContact O-CB 3.48Å; A325-S329 PolarHBondContact O-N 3.38Å |
| 326 | K | 80.3 | Confident | 75.1 | Confident | 83 Ų | 83 | 96.8 Ų | 96.8 | 36% | 0.361 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.6 | -48.2 | 174.7 | -172.2 | -179.9 | 175.1 | -175.6 | 0 | 111.2 | T322 Q323 A328 S329 E330 S448 | T322-K326 PolarHBondContact O-N 3.45Å; Q323-K326 PolarHBondContact O-N 2.92Å; K326-A328 VanDerWaalsContact C-N 3.34Å; K326-A328 PolarHBondContact O-N 3.31Å; K326-S329 WeakPolarHBondContact O-CB 3.34Å; K326-S329 PolarHBondContact O-N 3.48Å; K326-S329 VanDerWaalsContact O-N 3.16Å; K326-E330 WeakPolarHBondContact CE-OE1 3.26Å; K326-E330 WeakPolarHBondContact O-CG 3.29Å; K326-E330 PolarHBondContact O-N 3.48Å; K326-S448 PolarHBondContact NZ-O 3.08Å |
| 327 | E | 81.6 | Confident | 75.2 | Confident | 90 Ų | 90 | 98.5 Ų | 98.5 | 42% | 0.421 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.5 | -41.9 | 176.9 | -71 | 175 | -168.3 | 0 | 0 | 111.9 | Q323 H324 E330 L331 | Q323-E327 PolarHBondContact NE2-OE1 2.81Å; Q323-E327 WeakPolarHBondContact O-CG 3.38Å; Q323-E327 PolarHBondContact O-N 3.2Å; H324-E327 PolarHBondContact O-N 3.45Å; E327-E330 PolarHBondContact O-N 3.1Å; E327-L331 WeakPolarHBondContact O-CB 3.38Å; E327-L331 VanDerWaalsContact O-CG 3.31Å; E327-L331 WeakPolarHBondContact O-CG 3.24Å; E327-L331 PolarHBondContact O-N 3.33Å |
| 328 | A | 82.9 | Confident | 75.2 | Confident | 44 Ų | 44 | 99.9 Ų | 99.9 | 36% | 0.364 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.5 | -41.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | H324 K326 L331 Q332 | H324-A328 WeakPolarHBondContact O-CB 3.42Å; H324-A328 PolarHBondContact O-N 3.08Å; K326-A328 VanDerWaalsContact C-N 3.34Å; K326-A328 PolarHBondContact O-N 3.31Å; A328-L331 PolarHBondContact O-N 2.86Å; A328-Q332 WeakPolarHBondContact O-CB 3.24Å; A328-Q332 VanDerWaalsContact O-CG 3.27Å; A328-Q332 WeakPolarHBondContact O-CG 3.3Å; A328-Q332 PolarHBondContact O-N 3.27Å |
| 329 | S | 80 | Confident | 75.4 | Confident | 76 Ų | 76 | 99 Ų | 99 | 53% | 0.531 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.2 | -37.2 | 175.9 | -173.2 | 0 | 0 | 0 | 0 | 112.3 | A325 K326 Q332 S333 | A325-S329 WeakPolarHBondContact O-CB 3.48Å; A325-S329 PolarHBondContact O-N 3.38Å; K326-S329 WeakPolarHBondContact O-CB 3.34Å; K326-S329 PolarHBondContact O-N 3.48Å; K326-S329 VanDerWaalsContact O-N 3.16Å; S329-Q332 PolarHBondContact O-N 3.24Å; S329-S333 PolarHBondContact O-N 3.01Å |
| 330 | E | 74.8 | Confident | 74.8 | Confident | 59 Ų | 59 | 97 Ų | 97 | 28% | 0.276 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.4 | -41 | 175.4 | -75.4 | -177.9 | -155.8 | 0 | 0 | 111.7 | K326 E327 Q332 S333 K336 | K326-E330 WeakPolarHBondContact CE-OE1 3.26Å; K326-E330 WeakPolarHBondContact O-CG 3.29Å; K326-E330 PolarHBondContact O-N 3.48Å; E327-E330 PolarHBondContact O-N 3.1Å; E330-Q332 VanDerWaalsContact C-N 3.29Å; E330-Q332 PolarHBondContact O-N 3.39Å; E330-S333 WeakPolarHBondContact O-CB 3.21Å; E330-S333 PolarHBondContact O-N 3.05Å; E330-S333 VanDerWaalsContact O-N 3.14Å; E330-S333 PolarHBondContact O-OG 3.22Å; E330-K336 IonicContact OE2-NZ 2.67Å; E330-K336 PolarHBondContact OE2-NZ 3.2Å |
| 331 | L | 73.9 | Confident | 74.2 | Confident | 145 Ų | 145 | 93.3 Ų | 93.3 | 76% | 0.759 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65.6 | -32.4 | 174.3 | -72.8 | 172 | 0 | 0 | 0 | 112.4 | E327 A328 S333 | E327-L331 WeakPolarHBondContact O-CB 3.38Å; E327-L331 VanDerWaalsContact O-CG 3.31Å; E327-L331 WeakPolarHBondContact O-CG 3.24Å; E327-L331 PolarHBondContact O-N 3.33Å; A328-L331 PolarHBondContact O-N 2.86Å; L331-S333 VanDerWaalsContact C-N 3.29Å |
| 332 | Q | 72.6 | Confident | 73.5 | Confident | 155 Ų | 155 | 94.8 Ų | 94.8 | 72% | 0.724 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -10.1 | 173.6 | -72.3 | 176.8 | 3.1 | 0 | 0 | 113.4 | A328 S329 E330 D334 | A328-Q332 WeakPolarHBondContact O-CB 3.24Å; A328-Q332 VanDerWaalsContact O-CG 3.27Å; A328-Q332 WeakPolarHBondContact O-CG 3.3Å; A328-Q332 PolarHBondContact O-N 3.27Å; S329-Q332 PolarHBondContact O-N 3.24Å; E330-Q332 VanDerWaalsContact C-N 3.29Å; E330-Q332 PolarHBondContact O-N 3.39Å; Q332-D334 PolarHBondContact O-N 3.15Å |
| 333 | S | 72.6 | Confident | 72.6 | Confident | 40 Ų | 40 | 97.7 Ų | 97.7 | 28% | 0.28 | 50% | 0.5 | S | S | . | . | trans | -70.3 | 123 | -178.9 | 75.5 | 0 | 0 | 0 | 0 | 111.2 | S329 E330 L331 V335 K336 Y337 | S329-S333 PolarHBondContact O-N 3.01Å; E330-S333 WeakPolarHBondContact O-CB 3.21Å; E330-S333 PolarHBondContact O-N 3.05Å; E330-S333 VanDerWaalsContact O-N 3.14Å; E330-S333 PolarHBondContact O-OG 3.22Å; L331-S333 VanDerWaalsContact C-N 3.29Å; S333-V335 PolarHBondContact O-N 2.86Å; S333-K336 PolarHBondContact O-N 3.39Å; S333-Y337 PolarHBondContact O-N 2.74Å | ||
| 334 | D | 65 | Low | 71.7 | Confident | 115 Ų | 115 | 99.8 Ų | 99.8 | 62% | 0.615 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -57.7 | -23 | -179.8 | -80.5 | -16.8 | 0 | 0 | 0 | 113.5 | Q332 K338 | Q332-D334 PolarHBondContact O-N 3.15Å; D334-K338 WeakPolarHBondContact O-CB 3.28Å; D334-K338 VanDerWaalsContact O-CG 3.28Å; D334-K338 WeakPolarHBondContact O-CG 3.22Å; D334-K338 PolarHBondContact O-N 3.32Å |
| 335 | V | 67.8 | Low | 70.6 | Confident | 112 Ų | 112 | 102 Ų | 102 | 68% | 0.679 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -69.4 | -51.2 | -179.9 | 179.4 | 0 | 0 | 0 | 0 | 110.8 | S333 Y337 K338 E339 | S333-V335 PolarHBondContact O-N 2.86Å; V335-Y337 VanDerWaalsContact C-N 3.29Å; V335-Y337 PolarHBondContact O-N 3.45Å; V335-K338 PolarHBondContact O-N 2.89Å; V335-E339 PolarHBondContact O-N 3.36Å; V335-E339 VanDerWaalsContact O-N 3.08Å |
| 336 | K | 64.8 | Low | 69.4 | Low | 106 Ų | 106 | 102.1 Ų | 102.1 | 46% | 0.461 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.5 | -35.2 | 175.8 | -72.5 | -171 | 179.7 | -177.2 | 0 | 111.3 | E330 S333 E339 G340 | E330-K336 IonicContact OE2-NZ 2.67Å; E330-K336 PolarHBondContact OE2-NZ 3.2Å; S333-K336 PolarHBondContact O-N 3.39Å; K336-E339 PolarHBondContact O-N 2.95Å; K336-G340 PolarHBondContact O-N 2.87Å |
| 337 | Y | 65.1 | Low | 68.4 | Low | 156 Ų | 156 | 101.5 Ų | 101.5 | 61% | 0.612 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.1 | -47.2 | 174.1 | 179.8 | -101.3 | 0 | 0 | 0 | 112.2 | S333 V335 E339 G340 V341 | S333-Y337 PolarHBondContact O-N 2.74Å; V335-Y337 VanDerWaalsContact C-N 3.29Å; V335-Y337 PolarHBondContact O-N 3.45Å; Y337-E339 VanDerWaalsContact C-N 3.33Å; Y337-E339 PolarHBondContact O-N 2.91Å; Y337-G340 PolarHBondContact O-N 3.43Å; Y337-V341 HydrophobicContact CD1-CG2 4.15Å; Y337-V341 HydrophobicContact CD2-CG2 4.43Å; Y337-V341 HydrophobicContact CE1-CG2 3.78Å; Y337-V341 HydrophobicContact CE2-CG2 4.09Å; Y337-V341 HydrophobicContact CG-CG2 4.46Å; Y337-V341 WeakPolarHBondContact O-CB 3.33Å; Y337-V341 WeakPolarHBondContact O-CG2 3.41Å; Y337-V341 PolarHBondContact O-N 2.82Å |
| 338 | K | 68.9 | Low | 67.3 | Low | 134 Ų | 134 | 103.8 Ų | 103.8 | 58% | 0.583 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -66.7 | -33.2 | 178.8 | -74.7 | -177.1 | -174.6 | -175.1 | 0 | 113 | D334 V335 K342 | D334-K338 WeakPolarHBondContact O-CB 3.28Å; D334-K338 VanDerWaalsContact O-CG 3.28Å; D334-K338 WeakPolarHBondContact O-CG 3.22Å; D334-K338 PolarHBondContact O-N 3.32Å; V335-K338 PolarHBondContact O-N 2.89Å; K338-K342 WeakPolarHBondContact O-CG 3.31Å; K338-K342 PolarHBondContact O-N 3.47Å; K338-K342 VanDerWaalsContact O-N 3.1Å |
| 339 | E | 69.3 | Low | 66 | Low | 120 Ų | 120 | 111 Ų | 111 | 56% | 0.561 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -67.3 | -49.6 | 173.5 | -170.9 | 168 | -157.3 | 0 | 0 | 111.3 | V335 K336 Y337 V341 K342 E343 | V335-E339 PolarHBondContact O-N 3.36Å; V335-E339 VanDerWaalsContact O-N 3.08Å; K336-E339 PolarHBondContact O-N 2.95Å; Y337-E339 VanDerWaalsContact C-N 3.33Å; Y337-E339 PolarHBondContact O-N 2.91Å; E339-V341 VanDerWaalsContact C-N 3.28Å; E339-V341 PolarHBondContact O-N 2.95Å; E339-K342 WeakPolarHBondContact O-CB 3.45Å; E339-K342 PolarHBondContact O-N 2.94Å; E339-K342 VanDerWaalsContact O-N 3.08Å; E339-E343 PolarHBondContact O-N 3.41Å |
| 340 | G | 67.1 | Low | 65.1 | Low | 33 Ų | 33 | 114.5 Ų | 114.5 | 34% | 0.34 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -61 | -34.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | K336 Y337 E343 M344 | K336-G340 PolarHBondContact O-N 2.87Å; Y337-G340 PolarHBondContact O-N 3.43Å; G340-E343 PolarHBondContact O-N 3.32Å; G340-M344 VanDerWaalsContact O-CB 3.24Å; G340-M344 WeakPolarHBondContact O-CB 3.38Å; G340-M344 PolarHBondContact O-N 2.91Å |
| 341 | V | 68.3 | Low | 64.4 | Low | 37 Ų | 37 | 122.4 Ų | 122.4 | 22% | 0.224 | 59% | 0.594 | C | S | . | * | H | α-helix | trans | -67.6 | -39.6 | 173.5 | 168.6 | 0 | 0 | 0 | 0 | 111.5 | Y337 E339 M344 Q345 | Y337-V341 HydrophobicContact CD1-CG2 4.15Å; Y337-V341 HydrophobicContact CD2-CG2 4.43Å; Y337-V341 HydrophobicContact CE1-CG2 3.78Å; Y337-V341 HydrophobicContact CE2-CG2 4.09Å; Y337-V341 HydrophobicContact CG-CG2 4.46Å; Y337-V341 WeakPolarHBondContact O-CB 3.33Å; Y337-V341 WeakPolarHBondContact O-CG2 3.41Å; Y337-V341 PolarHBondContact O-N 2.82Å; E339-V341 VanDerWaalsContact C-N 3.28Å; E339-V341 PolarHBondContact O-N 2.95Å; V341-M344 PolarHBondContact O-N 3.35Å; V341-Q345 HydrophobicContact CG1-CG 4.33Å; V341-Q345 WeakPolarHBondContact O-CB 3.34Å; V341-Q345 VanDerWaalsContact O-CG 3.26Å; V341-Q345 WeakPolarHBondContact O-CG 3.38Å; V341-Q345 PolarHBondContact O-N 3.28Å |
| 342 | K | 64.5 | Low | 64.2 | Low | 157 Ų | 157 | 120.8 Ų | 120.8 | 68% | 0.683 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -64.8 | -41.2 | 175.1 | -74.4 | 172.4 | -177.9 | 178.6 | 0 | 111.7 | K338 E339 Q345 S346 | K338-K342 WeakPolarHBondContact O-CG 3.31Å; K338-K342 PolarHBondContact O-N 3.47Å; K338-K342 VanDerWaalsContact O-N 3.1Å; E339-K342 WeakPolarHBondContact O-CB 3.45Å; E339-K342 PolarHBondContact O-N 2.94Å; E339-K342 VanDerWaalsContact O-N 3.08Å; K342-Q345 PolarHBondContact O-N 3.3Å; K342-S346 PolarHBondContact O-N 2.66Å |
| 343 | E | 61.8 | Low | 63.9 | Low | 129 Ų | 129 | 118.4 Ų | 118.4 | 60% | 0.603 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -65 | -40.7 | 174.1 | -69.5 | -173.2 | 162 | 0 | 0 | 111.6 | E339 G340 S346 | E339-E343 PolarHBondContact O-N 3.41Å; G340-E343 PolarHBondContact O-N 3.32Å; E343-S346 WeakPolarHBondContact O-CB 3.4Å; E343-S346 PolarHBondContact O-N 2.57Å; E343-S346 VanDerWaalsContact O-N 3.15Å; E343-S346 PolarHBondContact O-OG 2.98Å |
| 344 | M | 60.4 | Low | 63.6 | Low | 137 Ų | 137 | 121.3 Ų | 121.3 | 68% | 0.675 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -72.3 | -31.9 | 178.7 | -165.7 | 155.4 | 65.7 | 0 | 0 | 112.9 | G340 V341 S346 S347 | G340-M344 VanDerWaalsContact O-CB 3.24Å; G340-M344 WeakPolarHBondContact O-CB 3.38Å; G340-M344 PolarHBondContact O-N 2.91Å; V341-M344 PolarHBondContact O-N 3.35Å; M344-S346 PolarHBondContact O-N 3.27Å; M344-S347 PolarHBondContact O-N 3Å; M344-S347 PolarHBondContact O-OG 3.03Å |
| 345 | Q | 59 | Low | 64.3 | Low | 152 Ų | 152 | 119.3 Ų | 119.3 | 71% | 0.71 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -64.1 | -19.8 | 170.6 | -77.1 | -171.7 | 2.9 | 0 | 0 | 112.7 | V341 K342 | V341-Q345 HydrophobicContact CG1-CG 4.33Å; V341-Q345 WeakPolarHBondContact O-CB 3.34Å; V341-Q345 VanDerWaalsContact O-CG 3.26Å; V341-Q345 WeakPolarHBondContact O-CG 3.38Å; V341-Q345 PolarHBondContact O-N 3.28Å; K342-Q345 PolarHBondContact O-N 3.3Å |
| 346 | S | 57.5 | Low | 64.8 | Low | 65 Ų | 65 | 119.2 Ų | 119.2 | 46% | 0.455 | 59% | 0.585 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.7 | -12.4 | 177.3 | 80.5 | 0 | 0 | 0 | 0 | 114.9 | K342 E343 M344 H350 | K342-S346 PolarHBondContact O-N 2.66Å; E343-S346 WeakPolarHBondContact O-CB 3.4Å; E343-S346 PolarHBondContact O-N 2.57Å; E343-S346 VanDerWaalsContact O-N 3.15Å; E343-S346 PolarHBondContact O-OG 2.98Å; M344-S346 PolarHBondContact O-N 3.27Å; S346-H350 WeakPolarHBondContact O-CB 3.41Å |
| 347 | S | 59.2 | Low | 65.5 | Low | 69 Ų | 69 | 121.5 Ų | 121.5 | 48% | 0.483 | 60% | 0.597 | S | S | . | * | S | Bend | trans | -107.9 | -7.2 | -156.1 | 69.9 | 0 | 0 | 0 | 0 | 118.6 | M344 | M344-S347 PolarHBondContact O-N 3Å; M344-S347 PolarHBondContact O-OG 3.03Å |
| 348 | L | 57.1 | Low | 66.1 | Low | 138 Ų | 138 | 117.1 Ų | 117.1 | 72% | 0.723 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -107.1 | -44.6 | 176.8 | -99.3 | 164.1 | 0 | 0 | 0 | 114.4 | ||
| 349 | Y | 56.2 | Low | 66.5 | Low | 197 Ų | 197 | 115.4 Ų | 115.4 | 77% | 0.773 | 58% | 0.581 | S | S | * | * | G | 310 helix | trans | -78.9 | -21 | -177.5 | -70.5 | -83.7 | 0 | 0 | 0 | 113.8 | R351 L352 | Y349-R351 VanDerWaalsContact C-N 3.29Å; Y349-R351 PolarHBondContact O-N 3.49Å; Y349-L352 HydrophobicContact CD1-CD1 4.24Å |
| 350 | H | 62.2 | Low | 67.2 | Low | 148 Ų | 148 | 116.1 Ų | 116.1 | 69% | 0.685 | 59% | 0.586 | S | S | * | * | G | 310 helix | trans | -71.9 | -18.4 | 177 | -105.8 | 77.4 | 0 | 0 | 0 | 114.2 | S346 | S346-H350 WeakPolarHBondContact O-CB 3.41Š|
| 351 | R | 60.2 | Low | 67.8 | Low | 225 Ų | 225 | 117.3 Ų | 117.3 | 85% | 0.849 | 59% | 0.592 | S | S | * | * | G | 310 helix | trans | -93.4 | -12.1 | -176.1 | -172.2 | 174.5 | -71.6 | -167 | 0 | 113.3 | Y349 | Y349-R351 VanDerWaalsContact C-N 3.29Å; Y349-R351 PolarHBondContact O-N 3.49Å |
| 352 | L | 68.1 | Low | 68.2 | Low | 111 Ų | 111 | 120.4 Ų | 120.4 | 58% | 0.581 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -74.1 | 142.1 | 177.6 | -76.1 | 157.8 | 0 | 0 | 0 | 110.3 | Y349 E354 | Y349-L352 HydrophobicContact CD1-CD1 4.24Å; L352-E354 PolarHBondContact O-N 3.02Å |
| 353 | P | 67.3 | Low | 69 | Low | 106 Ų | 106 | 118.7 Ų | 118.7 | 69% | 0.688 | 60% | 0.597 | S | S | * | * | trans | -60.4 | 128.3 | 172.7 | 23.8 | -30.3 | 0 | 0 | 0 | 109.2 | T355 | P353-T355 PolarHBondContact O-N 3.04Š| ||
| 354 | E | 65.8 | Low | 69.8 | Low | 100 Ų | 100 | 117.4 Ų | 117.4 | 47% | 0.467 | 59% | 0.593 | S | S | . | * | trans | -61.3 | 112 | 178.8 | -74.8 | -165.8 | 164.3 | 0 | 0 | 110.1 | L352 Q359 K362 | L352-E354 PolarHBondContact O-N 3.02Å; E354-Q359 HydrophobicContact CB-CG 4.04Å; E354-Q359 WeakPolarHBondContact OE2-CG 3.32Å; E354-Q359 PolarHBondContact OE2-NE2 2.83Å; E354-K362 IonicContact OE1-NZ 2.74Å; E354-K362 PolarHBondContact OE1-NZ 3.28Å | ||
| 355 | T | 81 | Confident | 70.7 | Confident | 73 Ų | 73 | 114.4 Ų | 114.4 | 45% | 0.448 | 59% | 0.586 | S | S | . | * | trans | -83.2 | 158.8 | 168.3 | 64 | 0 | 0 | 0 | 0 | 109.4 | P353 E357 T358 Q359 | P353-T355 PolarHBondContact O-N 3.04Å; T355-E357 PolarHBondContact O-N 3.41Å; T355-E357 VanDerWaalsContact O-N 3.17Å; T355-T358 PolarHBondContact N-OG1 3.26Å; T355-T358 PolarHBondContact O-N 3.31Å; T355-T358 PolarHBondContact O-OG1 2.95Å; T355-T358 WeakPolarHBondContact OG1-CG2 3.46Å; T355-T358 PolarHBondContact OG1-N 3.03Å; T355-T358 PolarHBondContact OG1-OG1 3.36Å; T355-Q359 PolarHBondContact O-N 2.99Å | ||
| 356 | T | 78 | Confident | 71.6 | Confident | 111 Ų | 111 | 111.2 Ų | 111.2 | 68% | 0.681 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -56.1 | -34.1 | 179.9 | 50.4 | 0 | 0 | 0 | 0 | 112.7 | Q359 M360 | T356-Q359 PolarHBondContact O-N 3.44Å; T356-M360 WeakPolarHBondContact O-CG 3.35Å; T356-M360 PolarHBondContact O-N 2.99Å |
| 357 | E | 77.9 | Confident | 72.6 | Confident | 154 Ų | 154 | 114 Ų | 114 | 72% | 0.72 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -69.1 | -42.6 | 176.2 | -171.5 | 172.2 | -170.3 | 0 | 0 | 112.1 | T355 Q359 M360 A361 | T355-E357 PolarHBondContact O-N 3.41Å; T355-E357 VanDerWaalsContact O-N 3.17Å; E357-Q359 VanDerWaalsContact C-N 3.3Å; E357-Q359 PolarHBondContact O-N 2.89Å; E357-M360 PolarHBondContact O-N 3.09Å; E357-A361 WeakPolarHBondContact O-CB 3.48Å; E357-A361 PolarHBondContact O-N 2.69Å |
| 358 | T | 78.9 | Confident | 73.2 | Confident | 63 Ų | 63 | 118.2 Ų | 118.2 | 39% | 0.387 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -67.2 | -30.9 | 175 | 54 | 0 | 0 | 0 | 0 | 112.9 | T355 K362 | T355-T358 PolarHBondContact N-OG1 3.26Å; T355-T358 PolarHBondContact O-N 3.31Å; T355-T358 PolarHBondContact O-OG1 2.95Å; T355-T358 WeakPolarHBondContact OG1-CG2 3.46Å; T355-T358 PolarHBondContact OG1-N 3.03Å; T355-T358 PolarHBondContact OG1-OG1 3.36Å; T358-K362 WeakPolarHBondContact O-CB 3.27Å; T358-K362 PolarHBondContact O-N 2.9Å |
| 359 | Q | 78 | Confident | 74.1 | Confident | 99 Ų | 99 | 113.4 Ų | 113.4 | 46% | 0.463 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -67.9 | -42.5 | 172.6 | -71 | -174.5 | -15.9 | 0 | 0 | 111.6 | E354 T355 T356 E357 K362 H363 | E354-Q359 HydrophobicContact CB-CG 4.04Å; E354-Q359 WeakPolarHBondContact OE2-CG 3.32Å; E354-Q359 PolarHBondContact OE2-NE2 2.83Å; T355-Q359 PolarHBondContact O-N 2.99Å; T356-Q359 PolarHBondContact O-N 3.44Å; E357-Q359 VanDerWaalsContact C-N 3.3Å; E357-Q359 PolarHBondContact O-N 2.89Å; Q359-K362 PolarHBondContact O-N 3.38Å; Q359-H363 WeakPolarHBondContact O-CB 3.5Å; Q359-H363 PolarHBondContact O-N 3.07Å |
| 360 | M | 82 | Confident | 74.8 | Confident | 135 Ų | 135 | 109.6 Ų | 109.6 | 67% | 0.665 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63 | -43.9 | 173.8 | -75.4 | -178.3 | 171.2 | 0 | 0 | 111.8 | T356 E357 H363 L364 | T356-M360 WeakPolarHBondContact O-CG 3.35Å; T356-M360 PolarHBondContact O-N 2.99Å; E357-M360 PolarHBondContact O-N 3.09Å; M360-H363 PolarHBondContact O-N 2.68Å; M360-L364 WeakPolarHBondContact O-CB 3.37Å; M360-L364 WeakPolarHBondContact O-CG 3.31Å; M360-L364 PolarHBondContact O-N 3.16Å |
| 361 | A | 79.6 | Confident | 75.4 | Confident | 58 Ų | 58 | 108.9 Ų | 108.9 | 48% | 0.479 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.8 | -41.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | E357 L364 S365 | E357-A361 WeakPolarHBondContact O-CB 3.48Å; E357-A361 PolarHBondContact O-N 2.69Å; A361-L364 PolarHBondContact O-N 3.4Å; A361-S365 WeakPolarHBondContact O-CB 3.48Å; A361-S365 PolarHBondContact O-N 3.34Å |
| 362 | K | 78.6 | Confident | 76.2 | Confident | 101 Ų | 101 | 101.8 Ų | 101.8 | 44% | 0.439 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -59.8 | -48.6 | 171.8 | -89.4 | -173.7 | 176.3 | -178.8 | 0 | 111.3 | E354 T358 Q359 L364 S365 E366 | E354-K362 IonicContact OE1-NZ 2.74Å; E354-K362 PolarHBondContact OE1-NZ 3.28Å; T358-K362 WeakPolarHBondContact O-CB 3.27Å; T358-K362 PolarHBondContact O-N 2.9Å; Q359-K362 PolarHBondContact O-N 3.38Å; K362-L364 VanDerWaalsContact C-N 3.35Å; K362-L364 PolarHBondContact O-N 3.42Å; K362-S365 PolarHBondContact O-N 2.87Å; K362-E366 WeakPolarHBondContact O-CB 3.41Å; K362-E366 PolarHBondContact O-N 2.69Å |
| 363 | H | 79.6 | Confident | 76.4 | Confident | 122 Ų | 122 | 104.7 Ų | 104.7 | 57% | 0.565 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -61.5 | -41.1 | 179.9 | -175.6 | -89 | 0 | 0 | 0 | 112.3 | Q359 M360 E366 L367 | Q359-H363 WeakPolarHBondContact O-CB 3.5Å; Q359-H363 PolarHBondContact O-N 3.07Å; M360-H363 PolarHBondContact O-N 2.68Å; H363-E366 PolarHBondContact O-N 3.17Å; H363-L367 WeakPolarHBondContact O-CB 3.42Å; H363-L367 PolarHBondContact O-N 3.18Å |
| 364 | L | 79 | Confident | 76.9 | Confident | 101 Ų | 101 | 105.9 Ų | 105.9 | 53% | 0.529 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.9 | -43.9 | 174.6 | -72.2 | 171.9 | 0 | 0 | 0 | 111.9 | M360 A361 K362 E366 L367 Q368 | M360-L364 WeakPolarHBondContact O-CB 3.37Å; M360-L364 WeakPolarHBondContact O-CG 3.31Å; M360-L364 PolarHBondContact O-N 3.16Å; A361-L364 PolarHBondContact O-N 3.4Å; K362-L364 VanDerWaalsContact C-N 3.35Å; K362-L364 PolarHBondContact O-N 3.42Å; L364-E366 VanDerWaalsContact C-N 3.27Å; L364-E366 PolarHBondContact O-N 2.67Å; L364-L367 PolarHBondContact O-N 2.95Å; L364-Q368 WeakPolarHBondContact O-CB 3.44Å; L364-Q368 VanDerWaalsContact O-CG 3.29Å; L364-Q368 WeakPolarHBondContact O-CG 3.41Å; L364-Q368 PolarHBondContact O-N 2.77Å |
| 365 | S | 78.9 | Confident | 77.6 | Confident | 74 Ų | 74 | 106.6 Ų | 106.6 | 52% | 0.517 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.9 | -34.4 | 175.6 | 179.4 | 0 | 0 | 0 | 0 | 112.3 | A361 K362 Q368 S369 | A361-S365 WeakPolarHBondContact O-CB 3.48Å; A361-S365 PolarHBondContact O-N 3.34Å; K362-S365 PolarHBondContact O-N 2.87Å; S365-Q368 PolarHBondContact O-N 3.27Å; S365-S369 WeakPolarHBondContact O-CB 3.43Å; S365-S369 PolarHBondContact O-N 2.93Å |
| 366 | E | 79.1 | Confident | 77.5 | Confident | 85 Ų | 85 | 107.7 Ų | 107.7 | 40% | 0.397 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -69.5 | -43.1 | 176.5 | 152.1 | 152 | -160.4 | 0 | 0 | 111.4 | K362 H363 L364 Q368 S369 K372 | K362-E366 WeakPolarHBondContact O-CB 3.41Å; K362-E366 PolarHBondContact O-N 2.69Å; H363-E366 PolarHBondContact O-N 3.17Å; L364-E366 VanDerWaalsContact C-N 3.27Å; L364-E366 PolarHBondContact O-N 2.67Å; E366-Q368 VanDerWaalsContact C-N 3.3Å; E366-Q368 PolarHBondContact O-N 2.8Å; E366-S369 WeakPolarHBondContact O-CB 3.28Å; E366-S369 PolarHBondContact O-N 2.96Å; E366-S369 VanDerWaalsContact O-N 3.11Å; E366-S369 PolarHBondContact O-OG 2.82Å; E366-K372 HydrophobicContact CB-CD 4.04Å; E366-K372 VanDerWaalsContact CD-CD 3.42Å; E366-K372 HydrophobicContact CG-CD 3.36Å; E366-K372 VanDerWaalsContact OE1-CD 3.25Å; E366-K372 WeakPolarHBondContact OE1-CD 3.29Å; E366-K372 WeakPolarHBondContact OE1-CE 3.38Å; E366-K372 IonicContact OE1-NZ 2.62Å; E366-K372 PolarHBondContact OE1-NZ 3.46Å; E366-K372 IonicContact OE2-NZ 2.64Å; E366-K372 PolarHBondContact OE2-NZ 2.62Å |
| 367 | L | 77.1 | Confident | 77.4 | Confident | 124 Ų | 124 | 103.8 Ų | 103.8 | 65% | 0.649 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65 | -34.3 | 173.3 | -169.4 | 66.7 | 0 | 0 | 0 | 112.4 | H363 L364 S369 | H363-L367 WeakPolarHBondContact O-CB 3.42Å; H363-L367 PolarHBondContact O-N 3.18Å; L364-L367 PolarHBondContact O-N 2.95Å; L367-S369 VanDerWaalsContact C-N 3.29Å |
| 368 | Q | 72.7 | Confident | 77.4 | Confident | 157 Ų | 157 | 103.5 Ų | 103.5 | 73% | 0.734 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -11.8 | 174.5 | -73.2 | 177.7 | -28.8 | 0 | 0 | 113.3 | L364 S365 E366 D370 | L364-Q368 WeakPolarHBondContact O-CB 3.44Å; L364-Q368 VanDerWaalsContact O-CG 3.29Å; L364-Q368 WeakPolarHBondContact O-CG 3.41Å; L364-Q368 PolarHBondContact O-N 2.77Å; S365-Q368 PolarHBondContact O-N 3.27Å; E366-Q368 VanDerWaalsContact C-N 3.3Å; E366-Q368 PolarHBondContact O-N 2.8Å; Q368-D370 PolarHBondContact O-N 3.27Å |
| 369 | S | 76.3 | Confident | 77.1 | Confident | 37 Ų | 37 | 108.3 Ų | 108.3 | 26% | 0.259 | 54% | 0.535 | S | S | . | . | trans | -79.4 | 114.4 | -179.7 | 76.6 | 0 | 0 | 0 | 0 | 110.5 | S365 E366 L367 N371 K372 Y373 | S365-S369 WeakPolarHBondContact O-CB 3.43Å; S365-S369 PolarHBondContact O-N 2.93Å; E366-S369 WeakPolarHBondContact O-CB 3.28Å; E366-S369 PolarHBondContact O-N 2.96Å; E366-S369 VanDerWaalsContact O-N 3.11Å; E366-S369 PolarHBondContact O-OG 2.82Å; L367-S369 VanDerWaalsContact C-N 3.29Å; S369-N371 PolarHBondContact O-N 3.35Å; S369-N371 VanDerWaalsContact O-N 3.07Å; S369-K372 PolarHBondContact O-N 2.8Å; S369-K372 VanDerWaalsContact O-N 3.08Å; S369-K372 WeakPolarHBondContact OG-CB 3.43Å; S369-Y373 PolarHBondContact O-N 2.96Å; S369-Y373 VanDerWaalsContact O-N 3.09Å | ||
| 370 | D | 71.4 | Confident | 76.8 | Confident | 117 Ų | 117 | 107.2 Ų | 107.2 | 63% | 0.626 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -56.4 | -27.9 | 178.6 | -73.9 | -20.1 | 0 | 0 | 0 | 113.2 | Q368 K374 | Q368-D370 PolarHBondContact O-N 3.27Å; D370-K374 WeakPolarHBondContact O-CB 3.4Å; D370-K374 VanDerWaalsContact O-CG 3.23Å; D370-K374 WeakPolarHBondContact O-CG 3.43Å; D370-K374 PolarHBondContact O-N 2.77Å |
| 371 | N | 74.5 | Confident | 76.1 | Confident | 134 Ų | 134 | 107.8 Ų | 107.8 | 72% | 0.717 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -68.1 | -45.8 | 177 | -89.2 | -53.4 | 0 | 0 | 0 | 112.2 | S369 K374 E375 | S369-N371 PolarHBondContact O-N 3.35Å; S369-N371 VanDerWaalsContact O-N 3.07Å; N371-K374 PolarHBondContact O-N 3.04Å; N371-E375 WeakPolarHBondContact O-CB 3.2Å; N371-E375 PolarHBondContact O-N 2.8Å |
| 372 | K | 76 | Confident | 75.4 | Confident | 75 Ų | 75 | 108.8 Ų | 108.8 | 33% | 0.326 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -69.8 | -36.8 | 176.7 | -74.7 | -169.7 | 168.3 | -170.7 | 0 | 111.7 | E366 S369 K374 E375 D376 | E366-K372 HydrophobicContact CB-CD 4.04Å; E366-K372 VanDerWaalsContact CD-CD 3.42Å; E366-K372 HydrophobicContact CG-CD 3.36Å; E366-K372 VanDerWaalsContact OE1-CD 3.25Å; E366-K372 WeakPolarHBondContact OE1-CD 3.29Å; E366-K372 WeakPolarHBondContact OE1-CE 3.38Å; E366-K372 IonicContact OE1-NZ 2.62Å; E366-K372 PolarHBondContact OE1-NZ 3.46Å; E366-K372 IonicContact OE2-NZ 2.64Å; E366-K372 PolarHBondContact OE2-NZ 2.62Å; S369-K372 PolarHBondContact O-N 2.8Å; S369-K372 VanDerWaalsContact O-N 3.08Å; S369-K372 WeakPolarHBondContact OG-CB 3.43Å; K372-K374 VanDerWaalsContact C-N 3.34Å; K372-K374 PolarHBondContact O-N 3.02Å; K372-E375 WeakPolarHBondContact O-CB 3.35Å; K372-E375 PolarHBondContact O-N 2.63Å; K372-E375 VanDerWaalsContact O-N 3.13Å; K372-D376 WeakPolarHBondContact O-CB 3.38Å; K372-D376 PolarHBondContact O-N 3.01Å |
| 373 | Y | 73.1 | Confident | 74.9 | Confident | 173 Ų | 173 | 110.4 Ų | 110.4 | 68% | 0.678 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -58 | -45 | 172.2 | 179.3 | -100.2 | 0 | 0 | 0 | 112.6 | S369 E375 G377 | S369-Y373 PolarHBondContact O-N 2.96Å; S369-Y373 VanDerWaalsContact O-N 3.09Å; Y373-E375 VanDerWaalsContact C-N 3.33Å; Y373-E375 PolarHBondContact O-N 3.23Å; Y373-G377 PolarHBondContact O-N 3.1Å |
| 374 | K | 78.1 | Confident | 74.6 | Confident | 130 Ų | 130 | 106.9 Ų | 106.9 | 57% | 0.565 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -67.1 | -33.1 | 175.9 | -74.6 | 173.6 | -176.1 | 177.2 | 0 | 112.6 | D370 N371 K372 K378 | D370-K374 WeakPolarHBondContact O-CB 3.4Å; D370-K374 VanDerWaalsContact O-CG 3.23Å; D370-K374 WeakPolarHBondContact O-CG 3.43Å; D370-K374 PolarHBondContact O-N 2.77Å; N371-K374 PolarHBondContact O-N 3.04Å; K372-K374 VanDerWaalsContact C-N 3.34Å; K372-K374 PolarHBondContact O-N 3.02Å; K374-K378 VanDerWaalsContact O-CG 3.28Å; K374-K378 WeakPolarHBondContact O-CG 3.48Å; K374-K378 PolarHBondContact O-N 3.07Å |
| 375 | E | 80.7 | Confident | 74 | Confident | 116 Ų | 116 | 109.5 Ų | 109.5 | 54% | 0.542 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -69.5 | -48.7 | 175.8 | -173.9 | 178 | -172.8 | 0 | 0 | 111.6 | N371 K372 Y373 G377 K378 R379 | N371-E375 WeakPolarHBondContact O-CB 3.2Å; N371-E375 PolarHBondContact O-N 2.8Å; K372-E375 WeakPolarHBondContact O-CB 3.35Å; K372-E375 PolarHBondContact O-N 2.63Å; K372-E375 VanDerWaalsContact O-N 3.13Å; Y373-E375 VanDerWaalsContact C-N 3.33Å; Y373-E375 PolarHBondContact O-N 3.23Å; E375-G377 VanDerWaalsContact C-N 3.32Å; E375-G377 PolarHBondContact O-N 3.4Å; E375-K378 WeakPolarHBondContact O-CB 3.28Å; E375-K378 PolarHBondContact O-N 3.35Å; E375-K378 VanDerWaalsContact O-N 3.12Å; E375-R379 PolarHBondContact O-N 2.67Å |
| 376 | D | 77.6 | Confident | 73.3 | Confident | 95 Ų | 95 | 115 Ų | 115 | 51% | 0.508 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62 | -40.3 | 176.7 | -80.1 | -22 | 0 | 0 | 0 | 111.3 | K372 K378 R379 S380 | K372-D376 WeakPolarHBondContact O-CB 3.38Å; K372-D376 PolarHBondContact O-N 3.01Å; D376-K378 VanDerWaalsContact C-N 3.31Å; D376-K378 PolarHBondContact O-N 3.16Å; D376-R379 CarbonylContact O-C 3.42Å; D376-R379 PolarHBondContact O-N 2.98Å; D376-R379 VanDerWaalsContact O-N 3.11Å; D376-S380 WeakPolarHBondContact O-CB 3.35Å; D376-S380 PolarHBondContact O-N 2.97Å; D376-S380 PolarHBondContact O-OG 2.88Å |
| 377 | G | 77 | Confident | 72.6 | Confident | 30 Ų | 30 | 114.3 Ų | 114.3 | 31% | 0.309 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -57.2 | -42.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y373 E375 Q381 | Y373-G377 PolarHBondContact O-N 3.1Å; E375-G377 VanDerWaalsContact C-N 3.32Å; E375-G377 PolarHBondContact O-N 3.4Å; G377-Q381 WeakPolarHBondContact O-CB 3.44Å; G377-Q381 WeakPolarHBondContact O-CG 3.43Å; G377-Q381 PolarHBondContact O-N 3.46Å |
| 378 | K | 76.5 | Confident | 72.3 | Confident | 147 Ų | 147 | 115 Ų | 115 | 64% | 0.639 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -68.7 | -38.6 | 174.8 | -68.3 | 168.8 | -173.9 | -179.6 | 0 | 111.7 | K374 E375 D376 Q381 S382 | K374-K378 VanDerWaalsContact O-CG 3.28Å; K374-K378 WeakPolarHBondContact O-CG 3.48Å; K374-K378 PolarHBondContact O-N 3.07Å; E375-K378 WeakPolarHBondContact O-CB 3.28Å; E375-K378 PolarHBondContact O-N 3.35Å; E375-K378 VanDerWaalsContact O-N 3.12Å; D376-K378 VanDerWaalsContact C-N 3.31Å; D376-K378 PolarHBondContact O-N 3.16Å; K378-Q381 PolarHBondContact O-N 3.38Å; K378-S382 PolarHBondContact O-N 3.49Å |
| 379 | R | 74.4 | Confident | 72.3 | Confident | 165 Ų | 165 | 111.8 Ų | 111.8 | 62% | 0.623 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66.5 | -43.9 | 178.4 | -164.3 | 171.3 | -176.1 | 92.5 | 2.4 | 111.4 | E375 D376 S382 Q383 | E375-R379 PolarHBondContact O-N 2.67Å; D376-R379 CarbonylContact O-C 3.42Å; D376-R379 PolarHBondContact O-N 2.98Å; D376-R379 VanDerWaalsContact O-N 3.11Å; R379-S382 PolarHBondContact O-N 3.32Å; R379-S382 VanDerWaalsContact O-N 3.17Å; R379-S382 PolarHBondContact O-OG 3.01Å; R379-Q383 PolarHBondContact O-N 3.38Å; R379-Q383 VanDerWaalsContact O-N 3.09Å |
| 380 | S | 71.1 | Confident | 72 | Confident | 76 Ų | 76 | 115.4 Ų | 115.4 | 53% | 0.531 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -65.5 | -36.7 | 174.6 | -61.9 | 0 | 0 | 0 | 0 | 112.5 | D376 S382 Q383 S384 | D376-S380 WeakPolarHBondContact O-CB 3.35Å; D376-S380 PolarHBondContact O-N 2.97Å; D376-S380 PolarHBondContact O-OG 2.88Å; S380-S382 VanDerWaalsContact C-N 3.3Å; S380-S382 PolarHBondContact O-N 3.04Å; S380-Q383 CarbonylContact O-C 3.58Å; S380-Q383 PolarHBondContact O-N 2.97Å; S380-Q383 VanDerWaalsContact O-N 3.12Å; S380-S384 PolarHBondContact O-N 3.49Å |
| 381 | Q | 67.6 | Low | 71.9 | Confident | 146 Ų | 146 | 114.3 Ų | 114.3 | 68% | 0.682 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -60.7 | -40.7 | 171.3 | -75.5 | 171.1 | 25.5 | 0 | 0 | 111.7 | G377 K378 Q383 S384 | G377-Q381 WeakPolarHBondContact O-CB 3.44Å; G377-Q381 WeakPolarHBondContact O-CG 3.43Å; G377-Q381 PolarHBondContact O-N 3.46Å; K378-Q381 PolarHBondContact O-N 3.38Å; Q381-Q383 PolarHBondContact O-N 2.61Å; Q381-S384 WeakPolarHBondContact O-CB 3.4Å; Q381-S384 PolarHBondContact O-N 3.18Å |
| 382 | S | 63.5 | Low | 72.2 | Confident | 80 Ų | 80 | 111.6 Ų | 111.6 | 56% | 0.559 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -69.1 | -21.1 | 175.7 | 76.5 | 0 | 0 | 0 | 0 | 113.8 | K378 R379 S380 S387 | K378-S382 PolarHBondContact O-N 3.49Å; R379-S382 PolarHBondContact O-N 3.32Å; R379-S382 VanDerWaalsContact O-N 3.17Å; R379-S382 PolarHBondContact O-OG 3.01Å; S380-S382 VanDerWaalsContact C-N 3.3Å; S380-S382 PolarHBondContact O-N 3.04Å; S382-S387 WeakPolarHBondContact O-CB 3.5Å; S382-S387 PolarHBondContact O-OG 2.92Å |
| 383 | Q | 69.8 | Low | 72.4 | Confident | 134 Ų | 134 | 112 Ų | 112 | 63% | 0.626 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -100.5 | -0.5 | -178.6 | -148 | 175.6 | 5.1 | 0 | 0 | 113.4 | R379 S380 Q381 | R379-Q383 PolarHBondContact O-N 3.38Å; R379-Q383 VanDerWaalsContact O-N 3.09Å; S380-Q383 CarbonylContact O-C 3.58Å; S380-Q383 PolarHBondContact O-N 2.97Å; S380-Q383 VanDerWaalsContact O-N 3.12Å; Q381-Q383 PolarHBondContact O-N 2.61Å |
| 384 | S | 72.3 | Confident | 72.6 | Confident | 49 Ų | 49 | 111.5 Ų | 111.5 | 34% | 0.343 | 57% | 0.574 | S | S | . | * | S | Bend | trans | -56.2 | 146.9 | 178.3 | 177.6 | 0 | 0 | 0 | 0 | 111.8 | S380 Q381 Y386 S387 | S380-S384 PolarHBondContact O-N 3.49Å; Q381-S384 WeakPolarHBondContact O-CB 3.4Å; Q381-S384 PolarHBondContact O-N 3.18Å; S384-Y386 PolarHBondContact O-N 3.48Å; S384-S387 PolarHBondContact O-N 3.37Å; S384-S387 PolarHBondContact O-OG 2.95Å |
| 385 | F | 67.5 | Low | 72.6 | Confident | 156 Ų | 156 | 108.1 Ų | 108.1 | 68% | 0.684 | 57% | 0.565 | S | S | * | * | G | 310 helix | trans | -50 | -30.6 | 176.9 | -171.5 | -95.9 | 0 | 0 | 0 | 112.9 | Q388 L389 | F385-Q388 PolarHBondContact O-N 3.44Å; F385-L389 HydrophobicContact CE1-CD2 4.43Å |
| 386 | Y | 64.3 | Low | 72.5 | Confident | 189 Ų | 189 | 107.4 Ų | 107.4 | 74% | 0.741 | 56% | 0.561 | S | S | * | * | G | 310 helix | trans | -69.8 | -26.6 | 176.9 | -72.1 | -87.5 | 0 | 0 | 0 | 114.6 | S384 Q388 L389 | S384-Y386 PolarHBondContact O-N 3.48Å; Y386-Q388 VanDerWaalsContact C-N 3.29Å; Y386-L389 HydrophobicContact CD1-CD1 4.14Å |
| 387 | S | 64.3 | Low | 72.8 | Confident | 70 Ų | 70 | 109.8 Ų | 109.8 | 49% | 0.49 | 57% | 0.567 | S | S | . | * | G | 310 helix | trans | -78.7 | -14.2 | 176.7 | 71.4 | 0 | 0 | 0 | 0 | 113.2 | S382 S384 | S382-S387 WeakPolarHBondContact O-CB 3.5Å; S382-S387 PolarHBondContact O-OG 2.92Å; S384-S387 PolarHBondContact O-N 3.37Å; S384-S387 PolarHBondContact O-OG 2.95Å |
| 388 | Q | 69.4 | Low | 73 | Confident | 140 Ų | 140 | 110.8 Ų | 110.8 | 65% | 0.654 | 57% | 0.573 | S | S | * | * | G | 310 helix | trans | -95.1 | -7.7 | 179.5 | -61.6 | 178.4 | 15.7 | 0 | 0 | 113.2 | F385 Y386 | F385-Q388 PolarHBondContact O-N 3.44Å; Y386-Q388 VanDerWaalsContact C-N 3.29Å |
| 389 | L | 73.6 | Confident | 73.2 | Confident | 88 Ų | 88 | 109.3 Ų | 109.3 | 46% | 0.461 | 57% | 0.566 | S | S | . | * | S | Bend | trans | -70 | 144.7 | 175.6 | -71 | 171.2 | 0 | 0 | 0 | 110.5 | F385 Y386 E391 | F385-L389 HydrophobicContact CE1-CD2 4.43Å; Y386-L389 HydrophobicContact CD1-CD1 4.14Å; L389-E391 PolarHBondContact O-N 2.94Å |
| 390 | P | 70 | Confident | 73.5 | Confident | 114 Ų | 114 | 104.9 Ų | 104.9 | 74% | 0.74 | 56% | 0.558 | S | S | * | * | trans | -56.6 | 126.5 | 173.4 | -19.7 | 30.4 | 0 | 0 | 0 | 109.6 | T392 | P390-T392 PolarHBondContact O-N 3.35Š| ||
| 391 | E | 69.2 | Low | 74.1 | Confident | 93 Ų | 93 | 103.3 Ų | 103.3 | 44% | 0.435 | 55% | 0.545 | S | S | . | . | trans | -59.2 | 115.3 | 176.9 | -76.4 | 178.9 | 164.1 | 0 | 0 | 110 | L389 T395 Q396 K399 | L389-E391 PolarHBondContact O-N 2.94Å; E391-T395 WeakPolarHBondContact CA-OG1 3.31Å; E391-Q396 HydrophobicContact CB-CG 3.72Å; E391-Q396 HydrophobicContact CG-CG 4.46Å; E391-Q396 WeakPolarHBondContact OE2-CG 3.39Å; E391-Q396 PolarHBondContact OE2-NE2 2.91Å; E391-K399 VanDerWaalsContact OE1-CD 3.27Å; E391-K399 WeakPolarHBondContact OE1-CD 3.48Å; E391-K399 WeakPolarHBondContact OE1-CE 3.32Å; E391-K399 IonicContact OE1-NZ 2.66Å; E391-K399 PolarHBondContact OE1-NZ 3.45Å | ||
| 392 | T | 80.7 | Confident | 74.7 | Confident | 77 Ų | 77 | 99.7 Ų | 99.7 | 47% | 0.472 | 54% | 0.536 | S | S | . | . | trans | -72 | 156.3 | 169.5 | 64.5 | 0 | 0 | 0 | 0 | 109.5 | P390 E394 T395 Q396 | P390-T392 PolarHBondContact O-N 3.35Å; T392-E394 PolarHBondContact O-N 2.66Å; T392-E394 VanDerWaalsContact O-N 3.11Å; T392-T395 PolarHBondContact N-OG1 3.11Å; T392-T395 PolarHBondContact O-N 3.03Å; T392-T395 PolarHBondContact O-OG1 2.88Å; T392-T395 WeakPolarHBondContact OG1-CG2 3.29Å; T392-T395 PolarHBondContact OG1-N 2.7Å; T392-T395 PolarHBondContact OG1-OG1 3.48Å; T392-Q396 PolarHBondContact O-N 3.41Å | ||
| 393 | A | 79.2 | Confident | 75.4 | Confident | 84 Ų | 84 | 100.4 Ų | 100.4 | 69% | 0.694 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -54 | -34.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113 | Q396 F397 | A393-Q396 PolarHBondContact O-N 2.84Å; A393-F397 WeakPolarHBondContact O-CB 3.39Å; A393-F397 PolarHBondContact O-N 3.41Å |
| 394 | E | 77.1 | Confident | 75.6 | Confident | 163 Ų | 163 | 100.8 Ų | 100.8 | 76% | 0.762 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -67.4 | -40.4 | 174 | -78.2 | 178.1 | 158.8 | 0 | 0 | 113.1 | T392 Q396 F397 A398 | T392-E394 PolarHBondContact O-N 2.66Å; T392-E394 VanDerWaalsContact O-N 3.11Å; E394-Q396 VanDerWaalsContact C-N 3.34Å; E394-F397 PolarHBondContact O-N 3.31Å; E394-A398 WeakPolarHBondContact O-CB 3.44Å; E394-A398 PolarHBondContact O-N 3.46Å |
| 395 | T | 79.2 | Confident | 75.6 | Confident | 59 Ų | 59 | 105.5 Ų | 105.5 | 36% | 0.362 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -68.8 | -34.2 | 176.5 | 61 | 0 | 0 | 0 | 0 | 112.2 | E391 T392 A398 K399 | E391-T395 WeakPolarHBondContact CA-OG1 3.31Å; T392-T395 PolarHBondContact N-OG1 3.11Å; T392-T395 PolarHBondContact O-N 3.03Å; T392-T395 PolarHBondContact O-OG1 2.88Å; T392-T395 WeakPolarHBondContact OG1-CG2 3.29Å; T392-T395 PolarHBondContact OG1-N 2.7Å; T392-T395 PolarHBondContact OG1-OG1 3.48Å; T395-A398 PolarHBondContact O-N 3.48Å; T395-K399 WeakPolarHBondContact O-CB 3.5Å; T395-K399 WeakPolarHBondContact O-CG 3.42Å; T395-K399 PolarHBondContact O-N 2.89Å |
| 396 | Q | 78.9 | Confident | 75.8 | Confident | 100 Ų | 100 | 100 Ų | 100 | 47% | 0.467 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.7 | -43.6 | 172.7 | -64.6 | -161.8 | -24.2 | 0 | 0 | 111.1 | E391 T392 A393 E394 K399 T400 | E391-Q396 HydrophobicContact CB-CG 3.72Å; E391-Q396 HydrophobicContact CG-CG 4.46Å; E391-Q396 WeakPolarHBondContact OE2-CG 3.39Å; E391-Q396 PolarHBondContact OE2-NE2 2.91Å; T392-Q396 PolarHBondContact O-N 3.41Å; A393-Q396 PolarHBondContact O-N 2.84Å; E394-Q396 VanDerWaalsContact C-N 3.34Å; Q396-K399 PolarHBondContact O-N 3.34Å; Q396-T400 WeakPolarHBondContact O-CG2 3.48Å; Q396-T400 PolarHBondContact O-N 2.91Å; Q396-T400 PolarHBondContact O-OG1 2.87Å |
| 397 | F | 82.4 | Confident | 75.8 | Confident | 145 Ų | 145 | 97 Ų | 97 | 64% | 0.636 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.2 | -46 | 174.5 | -179.7 | -100.9 | 0 | 0 | 0 | 112.1 | A393 E394 K399 T400 V401 | A393-F397 WeakPolarHBondContact O-CB 3.39Å; A393-F397 PolarHBondContact O-N 3.41Å; E394-F397 PolarHBondContact O-N 3.31Å; F397-K399 VanDerWaalsContact C-N 3.28Å; F397-K399 PolarHBondContact O-N 3.27Å; F397-T400 PolarHBondContact O-N 3.13Å; F397-T400 PolarHBondContact O-OG1 3.1Å; F397-V401 HydrophobicContact CD1-CG2 4.19Å; F397-V401 HydrophobicContact CD2-CG2 4.33Å; F397-V401 HydrophobicContact CE1-CG2 3.81Å; F397-V401 HydrophobicContact CE2-CG2 3.96Å; F397-V401 HydrophobicContact CG-CG2 4.44Å; F397-V401 HydrophobicContact CZ-CG2 3.68Å; F397-V401 WeakPolarHBondContact O-CB 3.45Å; F397-V401 VanDerWaalsContact O-CG2 3.22Å; F397-V401 WeakPolarHBondContact O-CG2 3.35Å; F397-V401 PolarHBondContact O-N 3.02Å |
| 398 | A | 81.7 | Confident | 75.8 | Confident | 52 Ų | 52 | 101.3 Ų | 101.3 | 43% | 0.43 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63 | -35 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | E394 T395 S402 | E394-A398 WeakPolarHBondContact O-CB 3.44Å; E394-A398 PolarHBondContact O-N 3.46Å; T395-A398 PolarHBondContact O-N 3.48Å; A398-S402 VanDerWaalsContact O-CB 3.28Å; A398-S402 WeakPolarHBondContact O-CB 3.31Å; A398-S402 PolarHBondContact O-N 2.87Å; A398-S402 PolarHBondContact O-OG 3.11Å |
| 399 | K | 80.3 | Confident | 75.8 | Confident | 115 Ų | 115 | 99.3 Ų | 99.3 | 50% | 0.5 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68.5 | -45.7 | 174.4 | -81.1 | 179.4 | 177.5 | -174.4 | 0 | 112.4 | E391 T395 Q396 F397 V401 S402 E403 | E391-K399 VanDerWaalsContact OE1-CD 3.27Å; E391-K399 WeakPolarHBondContact OE1-CD 3.48Å; E391-K399 WeakPolarHBondContact OE1-CE 3.32Å; E391-K399 IonicContact OE1-NZ 2.66Å; E391-K399 PolarHBondContact OE1-NZ 3.45Å; T395-K399 WeakPolarHBondContact O-CB 3.5Å; T395-K399 WeakPolarHBondContact O-CG 3.42Å; T395-K399 PolarHBondContact O-N 2.89Å; Q396-K399 PolarHBondContact O-N 3.34Å; F397-K399 VanDerWaalsContact C-N 3.28Å; F397-K399 PolarHBondContact O-N 3.27Å; K399-V401 VanDerWaalsContact C-N 3.34Å; K399-S402 PolarHBondContact O-N 3.19Å; K399-E403 VanDerWaalsContact O-CB 3.31Å; K399-E403 WeakPolarHBondContact O-CB 3.07Å; K399-E403 PolarHBondContact O-N 2.82Å |
| 400 | T | 81 | Confident | 75.3 | Confident | 72 Ų | 72 | 103.4 Ų | 103.4 | 44% | 0.442 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66 | -38.6 | 177.7 | 56.3 | 0 | 0 | 0 | 0 | 111.6 | Q396 F397 E403 L404 | Q396-T400 WeakPolarHBondContact O-CG2 3.48Å; Q396-T400 PolarHBondContact O-N 2.91Å; Q396-T400 PolarHBondContact O-OG1 2.87Å; F397-T400 PolarHBondContact O-N 3.13Å; F397-T400 PolarHBondContact O-OG1 3.1Å; T400-E403 PolarHBondContact O-N 2.69Å; T400-L404 WeakPolarHBondContact O-CB 3.45Å; T400-L404 VanDerWaalsContact O-CG 3.29Å; T400-L404 WeakPolarHBondContact O-CG 3.46Å; T400-L404 PolarHBondContact O-N 3.32Å |
| 401 | V | 83.6 | Confident | 75.3 | Confident | 43 Ų | 43 | 103.4 Ų | 103.4 | 26% | 0.261 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.3 | -45.8 | 173 | 172.6 | 0 | 0 | 0 | 0 | 111 | F397 K399 E403 L404 Q405 | F397-V401 HydrophobicContact CD1-CG2 4.19Å; F397-V401 HydrophobicContact CD2-CG2 4.33Å; F397-V401 HydrophobicContact CE1-CG2 3.81Å; F397-V401 HydrophobicContact CE2-CG2 3.96Å; F397-V401 HydrophobicContact CG-CG2 4.44Å; F397-V401 HydrophobicContact CZ-CG2 3.68Å; F397-V401 WeakPolarHBondContact O-CB 3.45Å; F397-V401 VanDerWaalsContact O-CG2 3.22Å; F397-V401 WeakPolarHBondContact O-CG2 3.35Å; F397-V401 PolarHBondContact O-N 3.02Å; K399-V401 VanDerWaalsContact C-N 3.34Å; V401-E403 VanDerWaalsContact C-N 3.33Å; V401-E403 PolarHBondContact O-N 3.29Å; V401-L404 PolarHBondContact O-N 2.97Å; V401-Q405 HydrophobicContact CG1-CG 4.37Å; V401-Q405 WeakPolarHBondContact O-CB 3.5Å; V401-Q405 WeakPolarHBondContact O-CG 3.48Å; V401-Q405 PolarHBondContact O-N 3.41Å |
| 402 | S | 80.4 | Confident | 75.6 | Confident | 70 Ų | 70 | 103.2 Ų | 103.2 | 49% | 0.49 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.4 | -37 | 176.6 | -68.3 | 0 | 0 | 0 | 0 | 112.6 | A398 K399 Q405 S406 | A398-S402 VanDerWaalsContact O-CB 3.28Å; A398-S402 WeakPolarHBondContact O-CB 3.31Å; A398-S402 PolarHBondContact O-N 2.87Å; A398-S402 PolarHBondContact O-OG 3.11Å; K399-S402 PolarHBondContact O-N 3.19Å; S402-Q405 CarbonylContact O-C 3.53Å; S402-Q405 PolarHBondContact O-N 3.06Å; S402-S406 VanDerWaalsContact O-CB 3.3Å; S402-S406 WeakPolarHBondContact O-CB 3.35Å; S402-S406 PolarHBondContact O-N 3.3Å |
| 403 | E | 78.6 | Confident | 74.7 | Confident | 95 Ų | 95 | 101.9 Ų | 101.9 | 44% | 0.444 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.9 | -41.8 | 177.2 | -172.9 | 165.7 | -157.6 | 0 | 0 | 111.4 | K399 T400 V401 Q405 S406 K409 | K399-E403 VanDerWaalsContact O-CB 3.31Å; K399-E403 WeakPolarHBondContact O-CB 3.07Å; K399-E403 PolarHBondContact O-N 2.82Å; T400-E403 PolarHBondContact O-N 2.69Å; V401-E403 VanDerWaalsContact C-N 3.33Å; V401-E403 PolarHBondContact O-N 3.29Å; E403-Q405 VanDerWaalsContact C-N 3.34Å; E403-S406 PolarHBondContact O-N 3.01Å; E403-S406 PolarHBondContact O-OG 2.69Å; E403-K409 HydrophobicContact CG-CD 4.11Å; E403-K409 HydrophobicContact CG-CG 4.22Å; E403-K409 WeakPolarHBondContact OE1-CD 3.5Å; E403-K409 VanDerWaalsContact OE1-CE 3.31Å; E403-K409 WeakPolarHBondContact OE1-CE 3.22Å; E403-K409 IonicContact OE1-NZ 2.62Å; E403-K409 PolarHBondContact OE1-NZ 2.99Å |
| 404 | L | 73.8 | Confident | 74.2 | Confident | 143 Ų | 143 | 99.6 Ų | 99.6 | 75% | 0.749 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.6 | -38.6 | 172.2 | -76.5 | 167.9 | 0 | 0 | 0 | 112.4 | T400 V401 S406 | T400-L404 WeakPolarHBondContact O-CB 3.45Å; T400-L404 VanDerWaalsContact O-CG 3.29Å; T400-L404 WeakPolarHBondContact O-CG 3.46Å; T400-L404 PolarHBondContact O-N 3.32Å; V401-L404 PolarHBondContact O-N 2.97Å; L404-S406 VanDerWaalsContact C-N 3.28Å |
| 405 | Q | 71.6 | Confident | 73.5 | Confident | 148 Ų | 148 | 98.7 Ų | 98.7 | 69% | 0.692 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -76 | -17.1 | 176.5 | -72.3 | 175.5 | -6.2 | 0 | 0 | 112.9 | V401 S402 E403 E407 | V401-Q405 HydrophobicContact CG1-CG 4.37Å; V401-Q405 WeakPolarHBondContact O-CB 3.5Å; V401-Q405 WeakPolarHBondContact O-CG 3.48Å; V401-Q405 PolarHBondContact O-N 3.41Å; S402-Q405 CarbonylContact O-C 3.53Å; S402-Q405 PolarHBondContact O-N 3.06Å; E403-Q405 VanDerWaalsContact C-N 3.34Å; Q405-E407 PolarHBondContact O-N 2.88Å |
| 406 | S | 72.8 | Confident | 73 | Confident | 40 Ų | 40 | 101.3 Ų | 101.3 | 28% | 0.28 | 51% | 0.506 | S | S | . | . | trans | -74.5 | 104 | -179.3 | 75.1 | 0 | 0 | 0 | 0 | 110.6 | S402 E403 L404 M408 K409 Y410 | S402-S406 VanDerWaalsContact O-CB 3.3Å; S402-S406 WeakPolarHBondContact O-CB 3.35Å; S402-S406 PolarHBondContact O-N 3.3Å; E403-S406 PolarHBondContact O-N 3.01Å; E403-S406 PolarHBondContact O-OG 2.69Å; L404-S406 VanDerWaalsContact C-N 3.28Å; S406-M408 PolarHBondContact O-N 3.14Å; S406-K409 PolarHBondContact O-N 2.86Å; S406-K409 VanDerWaalsContact OG-CB 3.29Å; S406-K409 WeakPolarHBondContact OG-CB 3.27Å; S406-K409 VanDerWaalsContact OG-CG 3.24Å; S406-K409 WeakPolarHBondContact OG-CG 3.45Å; S406-Y410 PolarHBondContact O-N 3.48Å | ||
| 407 | E | 64 | Low | 72.1 | Confident | 125 Ų | 125 | 102.9 Ų | 102.9 | 58% | 0.584 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -54.9 | -29.9 | -180 | -165.6 | -171.7 | 156.1 | 0 | 0 | 112.7 | Q405 K411 | Q405-E407 PolarHBondContact O-N 2.88Å; E407-K411 HydrophobicContact CG-CD 4.34Å; E407-K411 WeakPolarHBondContact O-CB 3.4Å; E407-K411 WeakPolarHBondContact O-CG 3.47Å; E407-K411 PolarHBondContact O-N 2.74Å; E407-K411 VanDerWaalsContact OE1-CE 3.28Å; E407-K411 WeakPolarHBondContact OE1-CE 3.39Å; E407-K411 IonicContact OE1-NZ 2.69Å; E407-K411 PolarHBondContact OE1-NZ 3.02Å |
| 408 | M | 64.8 | Low | 70.9 | Confident | 161 Ų | 161 | 99.5 Ų | 99.5 | 79% | 0.793 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.8 | -43.1 | 177 | -66.1 | -133.4 | -57.5 | 0 | 0 | 113 | S406 K411 E412 | S406-M408 PolarHBondContact O-N 3.14Å; M408-K411 PolarHBondContact O-N 3.36Å; M408-E412 WeakPolarHBondContact O-CB 3.35Å; M408-E412 PolarHBondContact O-N 3.05Å |
| 409 | K | 68.4 | Low | 69.9 | Low | 98 Ų | 98 | 101.3 Ų | 101.3 | 43% | 0.426 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69.3 | -38.6 | 177.9 | -73.9 | -101.1 | -172.6 | 159.7 | 0 | 110.9 | E403 S406 E412 S413 | E403-K409 HydrophobicContact CG-CD 4.11Å; E403-K409 HydrophobicContact CG-CG 4.22Å; E403-K409 WeakPolarHBondContact OE1-CD 3.5Å; E403-K409 VanDerWaalsContact OE1-CE 3.31Å; E403-K409 WeakPolarHBondContact OE1-CE 3.22Å; E403-K409 IonicContact OE1-NZ 2.62Å; E403-K409 PolarHBondContact OE1-NZ 2.99Å; S406-K409 PolarHBondContact O-N 2.86Å; S406-K409 VanDerWaalsContact OG-CB 3.29Å; S406-K409 WeakPolarHBondContact OG-CB 3.27Å; S406-K409 VanDerWaalsContact OG-CG 3.24Å; S406-K409 WeakPolarHBondContact OG-CG 3.45Å; K409-E412 PolarHBondContact O-N 3Å; K409-S413 PolarHBondContact O-N 3.4Å; K409-S413 PolarHBondContact O-OG 3.36Å; K409-S413 VanDerWaalsContact O-OG 3.11Å |
| 410 | Y | 64 | Low | 69 | Low | 175 Ų | 175 | 101 Ų | 101 | 69% | 0.686 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60.6 | -44.1 | 174.5 | -178.7 | -97.9 | 0 | 0 | 0 | 112.4 | S406 E412 S413 G414 | S406-Y410 PolarHBondContact O-N 3.48Å; Y410-E412 VanDerWaalsContact C-N 3.34Å; Y410-S413 WeakPolarHBondContact CA-OG 3.48Å; Y410-S413 PolarHBondContact O-OG 3.5Å; Y410-G414 PolarHBondContact O-N 2.89Å |
| 411 | K | 70.6 | Confident | 68.1 | Low | 113 Ų | 113 | 100.3 Ų | 100.3 | 49% | 0.491 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.6 | -33.6 | 174.5 | -75 | 174.9 | 170.5 | 170.8 | 0 | 112.4 | E407 M408 K415 | E407-K411 HydrophobicContact CG-CD 4.34Å; E407-K411 WeakPolarHBondContact O-CB 3.4Å; E407-K411 WeakPolarHBondContact O-CG 3.47Å; E407-K411 PolarHBondContact O-N 2.74Å; E407-K411 VanDerWaalsContact OE1-CE 3.28Å; E407-K411 WeakPolarHBondContact OE1-CE 3.39Å; E407-K411 IonicContact OE1-NZ 2.69Å; E407-K411 PolarHBondContact OE1-NZ 3.02Å; M408-K411 PolarHBondContact O-N 3.36Å; K411-K415 WeakPolarHBondContact O-CB 3.18Å; K411-K415 WeakPolarHBondContact O-CD 3.49Å; K411-K415 WeakPolarHBondContact O-CG 3.22Å; K411-K415 PolarHBondContact O-N 2.91Å; K411-K415 VanDerWaalsContact O-N 3.1Å |
| 412 | E | 74 | Confident | 66.9 | Low | 89 Ų | 89 | 105.3 Ų | 105.3 | 42% | 0.416 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -72 | -43.5 | 177 | -167.8 | -169.5 | 178.8 | 0 | 0 | 112.2 | M408 K409 Y410 K415 K416 | M408-E412 WeakPolarHBondContact O-CB 3.35Å; M408-E412 PolarHBondContact O-N 3.05Å; K409-E412 PolarHBondContact O-N 3Å; Y410-E412 VanDerWaalsContact C-N 3.34Å; E412-K415 PolarHBondContact O-N 3.42Å; E412-K416 HydrophobicContact CG-CD 4.44Å; E412-K416 WeakPolarHBondContact O-CG 3.4Å; E412-K416 PolarHBondContact O-N 3.02Å; E412-K416 WeakPolarHBondContact OE1-CE 3.43Å; E412-K416 IonicContact OE1-NZ 2.62Å; E412-K416 PolarHBondContact OE1-NZ 3.08Å; E412-K416 IonicContact OE2-NZ 3.09Å |
| 413 | S | 62.6 | Low | 65.9 | Low | 50 Ų | 50 | 111 Ų | 111 | 35% | 0.35 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.8 | -43 | 175.2 | 56.3 | 0 | 0 | 0 | 0 | 111.1 | K409 Y410 K415 K416 E417 | K409-S413 PolarHBondContact O-N 3.4Å; K409-S413 PolarHBondContact O-OG 3.36Å; K409-S413 VanDerWaalsContact O-OG 3.11Å; Y410-S413 WeakPolarHBondContact CA-OG 3.48Å; Y410-S413 PolarHBondContact O-OG 3.5Å; S413-K415 VanDerWaalsContact C-N 3.3Å; S413-K415 PolarHBondContact O-N 2.93Å; S413-K416 PolarHBondContact O-N 3.05Å; S413-K416 VanDerWaalsContact O-N 3.13Å; S413-E417 WeakPolarHBondContact O-CB 3.25Å; S413-E417 WeakPolarHBondContact O-CG 3.47Å; S413-E417 PolarHBondContact O-N 3.25Å |
| 414 | G | 67.7 | Low | 64.8 | Low | 36 Ų | 36 | 109.7 Ų | 109.7 | 37% | 0.371 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -60.7 | -36.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y410 S418 | Y410-G414 PolarHBondContact O-N 2.89Å; G414-S418 PolarHBondContact O-N 3.14Å |
| 415 | K | 62.9 | Low | 64.1 | Low | 143 Ų | 143 | 107.7 Ų | 107.7 | 62% | 0.622 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -68.3 | -42.4 | 172.4 | -74.9 | 170 | -175.5 | -177.7 | 0 | 112 | K411 E412 S413 E417 S418 V419 | K411-K415 WeakPolarHBondContact O-CB 3.18Å; K411-K415 WeakPolarHBondContact O-CD 3.49Å; K411-K415 WeakPolarHBondContact O-CG 3.22Å; K411-K415 PolarHBondContact O-N 2.91Å; K411-K415 VanDerWaalsContact O-N 3.1Å; E412-K415 PolarHBondContact O-N 3.42Å; S413-K415 VanDerWaalsContact C-N 3.3Å; S413-K415 PolarHBondContact O-N 2.93Å; K415-E417 VanDerWaalsContact C-N 3.33Å; K415-E417 PolarHBondContact O-N 3.44Å; K415-S418 WeakPolarHBondContact O-CB 3.36Å; K415-S418 PolarHBondContact O-N 2.72Å; K415-S418 PolarHBondContact O-OG 3.14Å; K415-V419 WeakPolarHBondContact O-CG2 3.47Å; K415-V419 PolarHBondContact O-N 3.41Å; K415-V419 VanDerWaalsContact O-N 3.09Å |
| 416 | K | 68.3 | Low | 63.8 | Low | 115 Ų | 115 | 105.8 Ų | 105.8 | 50% | 0.5 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.2 | -40.7 | 176.5 | -73.6 | 172.1 | -176.7 | 165.4 | 0 | 111.5 | E412 S413 S418 V419 T420 | E412-K416 HydrophobicContact CG-CD 4.44Å; E412-K416 WeakPolarHBondContact O-CG 3.4Å; E412-K416 PolarHBondContact O-N 3.02Å; E412-K416 WeakPolarHBondContact OE1-CE 3.43Å; E412-K416 IonicContact OE1-NZ 2.62Å; E412-K416 PolarHBondContact OE1-NZ 3.08Å; E412-K416 IonicContact OE2-NZ 3.09Å; S413-K416 PolarHBondContact O-N 3.05Å; S413-K416 VanDerWaalsContact O-N 3.13Å; K416-S418 VanDerWaalsContact C-N 3.32Å; K416-S418 PolarHBondContact O-N 2.86Å; K416-V419 PolarHBondContact O-N 3.15Å; K416-V419 VanDerWaalsContact O-N 3.11Å; K416-T420 PolarHBondContact O-N 2.61Å; K416-T420 PolarHBondContact O-OG1 3.09Å; K416-T420 VanDerWaalsContact O-OG1 3.12Å |
| 417 | E | 60.6 | Low | 63.2 | Low | 133 Ų | 133 | 109 Ų | 109 | 62% | 0.621 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -65.1 | -34.4 | 173.8 | -73.7 | 173.5 | -173.8 | 0 | 0 | 112.4 | S413 K415 V419 T420 S421 | S413-E417 WeakPolarHBondContact O-CB 3.25Å; S413-E417 WeakPolarHBondContact O-CG 3.47Å; S413-E417 PolarHBondContact O-N 3.25Å; K415-E417 VanDerWaalsContact C-N 3.33Å; K415-E417 PolarHBondContact O-N 3.44Å; E417-V419 VanDerWaalsContact C-N 3.28Å; E417-V419 PolarHBondContact O-N 2.87Å; E417-T420 WeakPolarHBondContact CA-OG1 3.34Å; E417-T420 PolarHBondContact O-OG1 3.48Å; E417-S421 PolarHBondContact O-N 3.19Å |
| 418 | S | 58.1 | Low | 63.1 | Low | 74 Ų | 74 | 108.3 Ų | 108.3 | 52% | 0.517 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.6 | -29.2 | 171.7 | 78.4 | 0 | 0 | 0 | 0 | 113.1 | G414 K415 K416 S421 | G414-S418 PolarHBondContact O-N 3.14Å; K415-S418 WeakPolarHBondContact O-CB 3.36Å; K415-S418 PolarHBondContact O-N 2.72Å; K415-S418 PolarHBondContact O-OG 3.14Å; K416-S418 VanDerWaalsContact C-N 3.32Å; K416-S418 PolarHBondContact O-N 2.86Å; S418-S421 WeakPolarHBondContact O-CB 3.5Å |
| 419 | V | 61 | Low | 63.5 | Low | 90 Ų | 90 | 104.2 Ų | 104.2 | 55% | 0.545 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -85.7 | -30.6 | 178.9 | 176.5 | 0 | 0 | 0 | 0 | 112 | K415 K416 E417 S424 | K415-V419 WeakPolarHBondContact O-CG2 3.47Å; K415-V419 PolarHBondContact O-N 3.41Å; K415-V419 VanDerWaalsContact O-N 3.09Å; K416-V419 PolarHBondContact O-N 3.15Å; K416-V419 VanDerWaalsContact O-N 3.11Å; E417-V419 VanDerWaalsContact C-N 3.28Å; E417-V419 PolarHBondContact O-N 2.87Å; V419-S424 WeakPolarHBondContact O-CB 3.35Å; V419-S424 PolarHBondContact O-OG 2.98Å |
| 420 | T | 59.7 | Low | 63.5 | Low | 109 Ų | 109 | 105.6 Ų | 105.6 | 67% | 0.669 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -84.5 | -10.3 | 173.8 | 55.3 | 0 | 0 | 0 | 0 | 113.5 | K416 E417 L422 | K416-T420 PolarHBondContact O-N 2.61Å; K416-T420 PolarHBondContact O-OG1 3.09Å; K416-T420 VanDerWaalsContact O-OG1 3.12Å; E417-T420 WeakPolarHBondContact CA-OG1 3.34Å; E417-T420 PolarHBondContact O-OG1 3.48Å; T420-L422 PolarHBondContact O-N 3.49Å |
| 421 | S | 62.5 | Low | 63.7 | Low | 57 Ų | 57 | 104.2 Ų | 104.2 | 40% | 0.399 | 56% | 0.557 | S | S | . | * | S | Bend | trans | -51.9 | 134.4 | 167.8 | 176 | 0 | 0 | 0 | 0 | 110.6 | E417 S418 Y423 S424 | E417-S421 PolarHBondContact O-N 3.19Å; S418-S421 WeakPolarHBondContact O-CB 3.5Å; S421-Y423 PolarHBondContact O-N 3.25Å; S421-S424 WeakPolarHBondContact O-CB 3.45Å; S421-S424 PolarHBondContact O-N 3.35Å |
| 422 | L | 58.5 | Low | 63.9 | Low | 148 Ų | 148 | 101.6 Ų | 101.6 | 78% | 0.775 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.7 | -18.7 | 179.5 | -74.9 | 165 | 0 | 0 | 0 | 113.9 | T420 T425 | T420-L422 PolarHBondContact O-N 3.49Å; L422-T425 PolarHBondContact O-OG1 3.13Å |
| 423 | Y | 58.8 | Low | 63.9 | Low | 190 Ų | 190 | 101.7 Ų | 101.7 | 75% | 0.745 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -27.9 | 179.4 | -146.4 | -95.9 | 0 | 0 | 0 | 113.6 | S421 L426 | S421-Y423 PolarHBondContact O-N 3.25Å; Y423-L426 HydrophobicContact CD2-CD1 4.32Å |
| 424 | S | 56.3 | Low | 64.5 | Low | 67 Ų | 67 | 107 Ų | 107 | 47% | 0.469 | 56% | 0.563 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.2 | -25.3 | -179 | 159.8 | 0 | 0 | 0 | 0 | 112.8 | V419 S421 | V419-S424 WeakPolarHBondContact O-CB 3.35Å; V419-S424 PolarHBondContact O-OG 2.98Å; S421-S424 WeakPolarHBondContact O-CB 3.45Å; S421-S424 PolarHBondContact O-N 3.35Å |
| 425 | T | 59.4 | Low | 64.7 | Low | 101 Ų | 101 | 107.9 Ų | 107.9 | 62% | 0.62 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -93.1 | -1 | -178.9 | 56.3 | 0 | 0 | 0 | 0 | 114 | L422 | L422-T425 PolarHBondContact O-OG1 3.13Š|
| 426 | L | 64.3 | Low | 65.3 | Low | 108 Ų | 108 | 107 Ų | 107 | 57% | 0.565 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -70.9 | 139.4 | 176.2 | -76.3 | 167.2 | 0 | 0 | 0 | 110.4 | Y423 E428 | Y423-L426 HydrophobicContact CD2-CD1 4.32Å; L426-E428 PolarHBondContact O-N 2.84Å |
| 427 | P | 61.8 | Low | 65.8 | Low | 108 Ų | 108 | 106.9 Ų | 106.9 | 70% | 0.701 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -61 | 131.6 | 176.9 | 9 | -6.3 | 0 | 0 | 0 | 109.6 | T429 | P427-T429 PolarHBondContact O-N 3.46Å; P427-T429 VanDerWaalsContact O-N 3.1Å |
| 428 | E | 60.7 | Low | 66.5 | Low | 109 Ų | 109 | 102.9 Ų | 102.9 | 51% | 0.509 | 56% | 0.555 | S | S | . | * | P | Polyproline II helix | trans | -53.9 | 118.2 | 179.5 | -105.5 | 176 | 169.6 | 0 | 0 | 110 | L426 K436 | L426-E428 PolarHBondContact O-N 2.84Å; E428-K436 WeakPolarHBondContact OE1-CD 3.41Å; E428-K436 WeakPolarHBondContact OE1-CE 3.47Å; E428-K436 IonicContact OE1-NZ 3.45Å; E428-K436 PolarHBondContact OE1-NZ 3.35Å |
| 429 | T | 72.4 | Confident | 67.3 | Low | 76 Ų | 76 | 103.1 Ų | 103.1 | 47% | 0.466 | 55% | 0.553 | S | S | . | * | P | Polyproline II helix | trans | -83.5 | 156.7 | 176.7 | 63.8 | 0 | 0 | 0 | 0 | 109.2 | P427 E431 T432 Q433 | P427-T429 PolarHBondContact O-N 3.46Å; P427-T429 VanDerWaalsContact O-N 3.1Å; T429-E431 PolarHBondContact O-N 3.5Å; T429-T432 PolarHBondContact N-OG1 2.84Å; T429-T432 PolarHBondContact O-N 2.9Å; T429-T432 PolarHBondContact O-OG1 2.98Å; T429-T432 PolarHBondContact OG1-N 3.37Å; T429-T432 PolarHBondContact OG1-OG1 3.33Å; T429-Q433 PolarHBondContact O-N 3.48Å |
| 430 | L | 69.5 | Low | 67.8 | Low | 126 Ų | 126 | 104.5 Ų | 104.5 | 66% | 0.66 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -55.8 | -23.8 | 177.3 | -84.4 | 167 | 0 | 0 | 0 | 113.2 | R434 | L430-R434 WeakPolarHBondContact O-CB 3.39Å; L430-R434 PolarHBondContact O-N 2.95Å |
| 431 | E | 67.8 | Low | 68.5 | Low | 146 Ų | 146 | 104.7 Ų | 104.7 | 68% | 0.682 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -75.5 | -44.6 | 175 | -125.6 | 118.7 | -154.7 | 0 | 0 | 111.9 | T429 Q433 R434 A435 | T429-E431 PolarHBondContact O-N 3.5Å; E431-Q433 VanDerWaalsContact C-N 3.29Å; E431-Q433 PolarHBondContact O-N 3.32Å; E431-R434 PolarHBondContact O-N 2.77Å; E431-A435 WeakPolarHBondContact O-CB 3.37Å; E431-A435 PolarHBondContact O-N 3.02Å |
| 432 | T | 74.4 | Confident | 68.1 | Low | 58 Ų | 58 | 108.4 Ų | 108.4 | 36% | 0.356 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -68.9 | -32.2 | 178.1 | 58.1 | 0 | 0 | 0 | 0 | 111.4 | T429 A435 K436 | T429-T432 PolarHBondContact N-OG1 2.84Å; T429-T432 PolarHBondContact O-N 2.9Å; T429-T432 PolarHBondContact O-OG1 2.98Å; T429-T432 PolarHBondContact OG1-N 3.37Å; T429-T432 PolarHBondContact OG1-OG1 3.33Å; T432-A435 PolarHBondContact O-N 3.11Å; T432-K436 PolarHBondContact O-N 2.97Å |
| 433 | Q | 74.9 | Confident | 68 | Low | 91 Ų | 91 | 104.1 Ų | 104.1 | 43% | 0.425 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68 | -45.4 | 174.6 | -157.1 | 170.8 | 25.4 | 0 | 0 | 111.7 | T429 E431 A435 K436 E437 | T429-Q433 PolarHBondContact O-N 3.48Å; E431-Q433 VanDerWaalsContact C-N 3.29Å; E431-Q433 PolarHBondContact O-N 3.32Å; Q433-A435 VanDerWaalsContact C-N 3.34Å; Q433-A435 PolarHBondContact O-N 3.42Å; Q433-K436 WeakPolarHBondContact O-CB 3.36Å; Q433-K436 PolarHBondContact O-N 3.49Å; Q433-E437 PolarHBondContact O-N 2.88Å |
| 434 | R | 74.3 | Confident | 67.7 | Low | 162 Ų | 162 | 100.4 Ų | 100.4 | 61% | 0.611 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.3 | -38.6 | 173.2 | -85.9 | -168.4 | -84.8 | -169.8 | -2.9 | 112.8 | L430 E431 K436 E437 A438 | L430-R434 WeakPolarHBondContact O-CB 3.39Å; L430-R434 PolarHBondContact O-N 2.95Å; E431-R434 PolarHBondContact O-N 2.77Å; R434-K436 VanDerWaalsContact C-N 3.35Å; R434-E437 PolarHBondContact O-N 3.12Å; R434-A438 VanDerWaalsContact O-CB 3.31Å; R434-A438 WeakPolarHBondContact O-CB 3.28Å; R434-A438 PolarHBondContact O-N 3.49Å |
| 435 | A | 71.8 | Confident | 67.7 | Low | 55 Ų | 55 | 102.3 Ų | 102.3 | 46% | 0.455 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.2 | -36.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | E431 T432 Q433 T439 | E431-A435 WeakPolarHBondContact O-CB 3.37Å; E431-A435 PolarHBondContact O-N 3.02Å; T432-A435 PolarHBondContact O-N 3.11Å; Q433-A435 VanDerWaalsContact C-N 3.34Å; Q433-A435 PolarHBondContact O-N 3.42Å; A435-T439 WeakPolarHBondContact O-CB 3.35Å; A435-T439 WeakPolarHBondContact O-CG2 3.4Å; A435-T439 PolarHBondContact O-N 2.94Å; A435-T439 PolarHBondContact O-OG1 3.48Å |
| 436 | K | 75.9 | Confident | 67.2 | Low | 123 Ų | 123 | 102.4 Ų | 102.4 | 54% | 0.535 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.6 | -45.5 | 172.6 | -108.3 | -178.8 | 179.4 | 173.8 | 0 | 112.4 | E428 T432 Q433 R434 A438 T439 Q440 | E428-K436 WeakPolarHBondContact OE1-CD 3.41Å; E428-K436 WeakPolarHBondContact OE1-CE 3.47Å; E428-K436 IonicContact OE1-NZ 3.45Å; E428-K436 PolarHBondContact OE1-NZ 3.35Å; T432-K436 PolarHBondContact O-N 2.97Å; Q433-K436 WeakPolarHBondContact O-CB 3.36Å; Q433-K436 PolarHBondContact O-N 3.49Å; R434-K436 VanDerWaalsContact C-N 3.35Å; K436-A438 VanDerWaalsContact C-N 3.34Å; K436-A438 PolarHBondContact O-N 2.92Å; K436-T439 WeakPolarHBondContact CA-OG1 3.45Å; K436-T439 PolarHBondContact O-N 2.98Å; K436-T439 PolarHBondContact O-OG1 2.94Å; K436-Q440 VanDerWaalsContact O-CB 3.28Å; K436-Q440 WeakPolarHBondContact O-CB 3.43Å; K436-Q440 PolarHBondContact O-N 3.44Å |
| 437 | E | 80.2 | Confident | 66.2 | Low | 113 Ų | 113 | 102.6 Ų | 102.6 | 53% | 0.528 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.6 | -42.8 | 176.4 | -73.3 | 177.3 | 175 | 0 | 0 | 111.2 | Q433 R434 T439 Q440 L441 | Q433-E437 PolarHBondContact O-N 2.88Å; R434-E437 PolarHBondContact O-N 3.12Å; E437-T439 PolarHBondContact O-N 3.21Å; E437-Q440 PolarHBondContact O-N 2.67Å; E437-L441 WeakPolarHBondContact O-CB 3.23Å; E437-L441 VanDerWaalsContact O-CG 3.23Å; E437-L441 WeakPolarHBondContact O-CG 3.31Å; E437-L441 PolarHBondContact O-N 2.85Å |
| 438 | A | 75 | Confident | 65.4 | Low | 50 Ų | 50 | 100.9 Ų | 100.9 | 41% | 0.413 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.2 | -40.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | R434 K436 L441 Q442 | R434-A438 VanDerWaalsContact O-CB 3.31Å; R434-A438 WeakPolarHBondContact O-CB 3.28Å; R434-A438 PolarHBondContact O-N 3.49Å; K436-A438 VanDerWaalsContact C-N 3.34Å; K436-A438 PolarHBondContact O-N 2.92Å; A438-L441 PolarHBondContact O-N 3.43Å; A438-Q442 WeakPolarHBondContact O-CG 3.43Å; A438-Q442 PolarHBondContact O-N 2.86Å |
| 439 | T | 73.4 | Confident | 64.5 | Low | 78 Ų | 78 | 102.9 Ų | 102.9 | 48% | 0.479 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -73.8 | -32.3 | 177.5 | 46 | 0 | 0 | 0 | 0 | 112.6 | A435 K436 E437 Q442 S443 | A435-T439 WeakPolarHBondContact O-CB 3.35Å; A435-T439 WeakPolarHBondContact O-CG2 3.4Å; A435-T439 PolarHBondContact O-N 2.94Å; A435-T439 PolarHBondContact O-OG1 3.48Å; K436-T439 WeakPolarHBondContact CA-OG1 3.45Å; K436-T439 PolarHBondContact O-N 2.98Å; K436-T439 PolarHBondContact O-OG1 2.94Å; E437-T439 PolarHBondContact O-N 3.21Å; T439-Q442 PolarHBondContact O-N 3.45Å; T439-S443 PolarHBondContact O-N 3.39Å |
| 440 | Q | 72.9 | Confident | 64.1 | Low | 120 Ų | 120 | 104.3 Ų | 104.3 | 56% | 0.561 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -71.6 | -32.6 | 173.3 | -171.2 | 168.9 | 16.4 | 0 | 0 | 112.4 | K436 E437 S443 Q444 | K436-Q440 VanDerWaalsContact O-CB 3.28Å; K436-Q440 WeakPolarHBondContact O-CB 3.43Å; K436-Q440 PolarHBondContact O-N 3.44Å; E437-Q440 PolarHBondContact O-N 2.67Å; Q440-S443 PolarHBondContact O-OG 3.2Å; Q440-Q444 WeakPolarHBondContact O-CG 3.49Å; Q440-Q444 PolarHBondContact O-N 3.46Å; Q440-Q444 VanDerWaalsContact O-N 3.14Å |
| 441 | L | 72.9 | Confident | 63.8 | Low | 113 Ų | 113 | 103.1 Ų | 103.1 | 59% | 0.592 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -67.2 | -41.4 | 168.7 | -72.6 | 169.2 | 0 | 0 | 0 | 110.8 | E437 A438 Q444 V445 | E437-L441 WeakPolarHBondContact O-CB 3.23Å; E437-L441 VanDerWaalsContact O-CG 3.23Å; E437-L441 WeakPolarHBondContact O-CG 3.31Å; E437-L441 PolarHBondContact O-N 2.85Å; A438-L441 PolarHBondContact O-N 3.43Å; L441-Q444 PolarHBondContact O-N 2.94Å; L441-V445 WeakPolarHBondContact O-CG2 3.2Å; L441-V445 PolarHBondContact O-N 3Å; L441-V445 VanDerWaalsContact O-N 3.08Å |
| 442 | Q | 55.8 | Low | 63.6 | Low | 134 Ų | 134 | 100.7 Ų | 100.7 | 63% | 0.626 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -64.6 | -38.7 | 174.6 | -79.7 | -178.4 | -17.6 | 0 | 0 | 113.1 | A438 T439 V445 T446 | A438-Q442 WeakPolarHBondContact O-CG 3.43Å; A438-Q442 PolarHBondContact O-N 2.86Å; T439-Q442 PolarHBondContact O-N 3.45Å; Q442-V445 WeakPolarHBondContact O-CB 3.44Å; Q442-V445 PolarHBondContact O-N 3.49Å; Q442-T446 WeakPolarHBondContact O-CG2 3.49Å; Q442-T446 PolarHBondContact O-N 3.44Å; Q442-T446 PolarHBondContact O-OG1 2.97Å |
| 443 | S | 55.2 | Low | 63 | Low | 59 Ų | 59 | 103.2 Ų | 103.2 | 41% | 0.413 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -72.3 | -30.8 | 179.2 | 70.3 | 0 | 0 | 0 | 0 | 113.1 | T439 Q440 V445 T446 C447 | T439-S443 PolarHBondContact O-N 3.39Å; Q440-S443 PolarHBondContact O-OG 3.2Å; S443-V445 VanDerWaalsContact C-N 3.34Å; S443-T446 WeakPolarHBondContact CA-OG1 3.48Å; S443-T446 PolarHBondContact O-N 2.88Å; S443-T446 PolarHBondContact O-OG1 3.1Å; S443-C447 PolarHBondContact O-N 3.33Å; S443-C447 VanDerWaalsContact O-N 3.13Å |
| 444 | Q | 53.2 | Low | 62.2 | Low | 111 Ų | 111 | 104 Ų | 104 | 52% | 0.519 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -68.2 | -34.8 | 169.8 | -74.9 | 178.8 | 52.8 | 0 | 0 | 111.9 | Q440 L441 T446 C447 S448 | Q440-Q444 WeakPolarHBondContact O-CG 3.49Å; Q440-Q444 PolarHBondContact O-N 3.46Å; Q440-Q444 VanDerWaalsContact O-N 3.14Å; L441-Q444 PolarHBondContact O-N 2.94Å; Q444-T446 VanDerWaalsContact C-N 3.34Å; Q444-C447 PolarHBondContact O-N 2.99Å; Q444-S448 WeakPolarHBondContact O-CB 3.47Å; Q444-S448 PolarHBondContact O-N 3.37Å; Q444-S448 PolarHBondContact O-OG 3.01Å |
| 445 | V | 56.3 | Low | 61.4 | Low | 108 Ų | 108 | 100.1 Ų | 100.1 | 66% | 0.655 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -67.3 | -34.4 | 174.5 | 171.1 | 0 | 0 | 0 | 0 | 111.6 | L441 Q442 S443 | L441-V445 WeakPolarHBondContact O-CG2 3.2Å; L441-V445 PolarHBondContact O-N 3Å; L441-V445 VanDerWaalsContact O-N 3.08Å; Q442-V445 WeakPolarHBondContact O-CB 3.44Å; Q442-V445 PolarHBondContact O-N 3.49Å; S443-V445 VanDerWaalsContact C-N 3.34Å |
| 446 | T | 48.7 | Very low | 60.7 | Low | 103 Ų | 103 | 103.4 Ų | 103.4 | 63% | 0.632 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -81.8 | -20.2 | 177.7 | 58 | 0 | 0 | 0 | 0 | 114.7 | Q442 S443 Q444 | Q442-T446 WeakPolarHBondContact O-CG2 3.49Å; Q442-T446 PolarHBondContact O-N 3.44Å; Q442-T446 PolarHBondContact O-OG1 2.97Å; S443-T446 WeakPolarHBondContact CA-OG1 3.48Å; S443-T446 PolarHBondContact O-N 2.88Å; S443-T446 PolarHBondContact O-OG1 3.1Å; Q444-T446 VanDerWaalsContact C-N 3.34Å |
| 447 | C | 43.5 | Very low | 59.5 | Low | 112 Ų | 112 | 101.8 Ų | 101.8 | 76% | 0.757 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -88.8 | -7.5 | 173.9 | -80.1 | 0 | 0 | 0 | 0 | 113.9 | S443 Q444 | S443-C447 PolarHBondContact O-N 3.33Å; S443-C447 VanDerWaalsContact O-N 3.13Å; Q444-C447 PolarHBondContact O-N 2.99Å |
| 448 | S | 44.4 | Very low | 57.8 | Low | 71 Ų | 71 | 100.9 Ų | 100.9 | 50% | 0.497 | 60% | 0.6 | S | S | . | * | trans | -104.4 | 17.1 | 179.9 | -47.9 | 0 | 0 | 0 | 0 | 113.2 | K326 Q444 | K326-S448 PolarHBondContact NZ-O 3.08Å; Q444-S448 WeakPolarHBondContact O-CB 3.47Å; Q444-S448 PolarHBondContact O-N 3.37Å; Q444-S448 PolarHBondContact O-OG 3.01Å | ||
| 449 | S | 42.3 | Very low | 56.3 | Low | 152 Ų | 152 | 105.5 Ų | 105.5 | 100% | 1.063 | 62% | 0.617 | S | S | * | * | trans | -124.3 | 0 | 171.9 | -169.9 | 0 | 0 | 0 | 0 | 109.4 |
Retrieved 449 of 449 residues in 87.6 ms
(Link to these results)