| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38.1 | Very low | 40.8 | Very low | 243 Ų | 243 | 143.4 Ų | 143.4 | 100% | 1.197 | 80% | 0.801 | S | S | * | * | 0 | 122.2 | 0 | -91.9 | 171.5 | 179.5 | 0 | 0 | 108.2 | |||||
| 2 | A | 38.9 | Very low | 40.8 | Very low | 107 Ų | 107 | 137.1 Ų | 137.1 | 88% | 0.884 | 79% | 0.793 | S | S | * | * | trans | 56.5 | 139.3 | 151 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 3 | A | 42.9 | Very low | 41.4 | Very low | 96 Ų | 96 | 134.8 Ų | 134.8 | 79% | 0.793 | 79% | 0.785 | S | S | * | * | cis | -159.3 | 140.5 | 4.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 4 | T | 54.4 | Low | 42 | Very low | 140 Ų | 140 | 132.1 Ų | 132.1 | 86% | 0.859 | 79% | 0.787 | S | S | * | * | trans | -60.5 | 138.3 | 152.7 | -56.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 5 | S | 41.7 | Very low | 42.4 | Very low | 91 Ų | 91 | 130 Ų | 130 | 64% | 0.636 | 78% | 0.781 | S | S | * | * | trans | -162.9 | 123.5 | 141.9 | -144.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 6 | Q | 37.3 | Very low | 42.8 | Very low | 177 Ų | 177 | 129.4 Ų | 129.4 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | trans | 48.7 | 121.3 | 131.9 | -63 | 174 | -8 | 0 | 0 | 117.6 | ||||
| 7 | G | 37 | Very low | 42.8 | Very low | 65 Ų | 65 | 130.8 Ų | 130.8 | 67% | 0.67 | 77% | 0.767 | S | S | * | * | cis | 82 | 117.6 | 33.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 8 | E | 34.8 | Very low | 42.8 | Very low | 156 Ų | 156 | 130.5 Ų | 130.5 | 73% | 0.729 | 76% | 0.757 | S | S | * | * | trans | 80.5 | 134.5 | 153.4 | -82.6 | 173.6 | 21.8 | 0 | 0 | 118.6 | ||||
| 9 | W | 36.1 | Very low | 42.8 | Very low | 171 Ų | 171 | 132.2 Ų | 132.2 | 65% | 0.648 | 76% | 0.757 | S | S | * | * | cis | -156.2 | 159.3 | 9.2 | -84.4 | 111.5 | 0 | 0 | 0 | 110.9 | ||||
| 10 | R | 41 | Very low | 42.8 | Very low | 195 Ų | 195 | 132.8 Ų | 132.8 | 74% | 0.736 | 75% | 0.75 | S | S | * | * | trans | 18.5 | 143.6 | 137.8 | -74.7 | -170.6 | -120.3 | -144 | 0.6 | 118.9 | ||||
| 11 | T | 46.9 | Very low | 42.9 | Very low | 136 Ų | 136 | 134.5 Ų | 134.5 | 83% | 0.834 | 75% | 0.745 | S | S | * | * | cis | -175.8 | 140.5 | 22 | 21.1 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 12 | G | 40.8 | Very low | 43 | Very low | 68 Ų | 68 | 130 Ų | 130 | 70% | 0.701 | 72% | 0.721 | S | S | * | * | trans | -158.5 | 154.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 13 | P | 48.3 | Very low | 43.3 | Very low | 107 Ų | 107 | 128.3 Ų | 128.3 | 70% | 0.695 | 70% | 0.702 | S | S | * | * | trans | -71.3 | 142.1 | -141.1 | 25.7 | -34.4 | 0 | 0 | 0 | 116.4 | S15 | P13-S15 PolarHBondContact O-N 2.83Š| ||
| 14 | A | 49.5 | Very low | 43.1 | Very low | 97 Ų | 97 | 130.4 Ų | 130.4 | 80% | 0.802 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | 23.5 | -172.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 15 | S | 48.3 | Very low | 42.5 | Very low | 101 Ų | 101 | 127.9 Ų | 127.9 | 71% | 0.706 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | -8.6 | 171.9 | 41.4 | 0 | 0 | 0 | 0 | 113.3 | P13 | P13-S15 PolarHBondContact O-N 2.83Š|
| 16 | D | 48.1 | Very low | 42.6 | Very low | 120 Ų | 120 | 133.1 Ų | 133.1 | 64% | 0.642 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -86.6 | -5.9 | 174.8 | -109.8 | -28.9 | 0 | 0 | 0 | 114.1 | ||
| 17 | F | 43.6 | Very low | 43.1 | Very low | 154 Ų | 154 | 130.3 Ų | 130.3 | 68% | 0.675 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | -12.2 | -170.6 | -151.1 | -98.6 | 0 | 0 | 0 | 114.5 | ||
| 18 | Q | 42 | Very low | 43.6 | Very low | 125 Ų | 125 | 133.4 Ų | 133.4 | 58% | 0.584 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | -35.4 | 175.1 | -93.8 | -72.3 | -23 | 0 | 0 | 112.7 | K20 R21 | Q18-K20 VanDerWaalsContact C-N 3.31Å; Q18-K20 PolarHBondContact O-N 3.39Å; Q18-R21 PolarHBondContact O-N 3.18Å |
| 19 | E | 43.4 | Very low | 43.9 | Very low | 162 Ų | 162 | 134.3 Ų | 134.3 | 76% | 0.757 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -69.2 | -31.3 | 178.1 | -163.3 | 160 | 145.4 | 0 | 0 | 112.2 | R21 H22 S23 | E19-R21 VanDerWaalsContact C-N 3.35Å; E19-R21 PolarHBondContact O-N 3.05Å; E19-H22 PolarHBondContact O-N 3.38Å; E19-S23 PolarHBondContact O-N 3.18Å |
| 20 | K | 42.7 | Very low | 44.5 | Very low | 144 Ų | 144 | 133.6 Ų | 133.6 | 63% | 0.626 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -73.8 | -16 | 174 | -81.1 | -178.6 | -179.3 | 174.4 | 0 | 115 | Q18 F24 | Q18-K20 VanDerWaalsContact C-N 3.31Å; Q18-K20 PolarHBondContact O-N 3.39Å; K20-F24 WeakPolarHBondContact O-CB 3.43Å; K20-F24 PolarHBondContact O-N 3.14Å; K20-F24 VanDerWaalsContact O-N 3.14Å |
| 21 | R | 46.3 | Very low | 44.8 | Very low | 169 Ų | 169 | 132 Ų | 132 | 64% | 0.638 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -73 | -34.1 | 171.6 | -94.6 | -167.4 | -173.3 | -172.3 | 4.4 | 112.5 | Q18 E19 S25 | Q18-R21 PolarHBondContact O-N 3.18Å; E19-R21 VanDerWaalsContact C-N 3.35Å; E19-R21 PolarHBondContact O-N 3.05Å; R21-S25 PolarHBondContact O-N 2.78Å |
| 22 | H | 39.5 | Very low | 44.4 | Very low | 149 Ų | 149 | 128.2 Ų | 128.2 | 69% | 0.69 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -74.8 | -31.1 | 177 | -87.2 | -104.9 | 0 | 0 | 0 | 112.4 | E19 | E19-H22 PolarHBondContact O-N 3.38Å |
| 23 | S | 44.2 | Very low | 44.5 | Very low | 72 Ų | 72 | 130.9 Ų | 130.9 | 50% | 0.503 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -74.9 | -34.4 | 174.2 | -133.9 | 0 | 0 | 0 | 0 | 113.2 | E19 S25 W26 L27 | E19-S23 PolarHBondContact O-N 3.18Å; S23-S25 PolarHBondContact O-N 2.77Å; S23-W26 PolarHBondContact O-N 3.16Å; S23-L27 PolarHBondContact O-N 2.86Å |
| 24 | F | 39.4 | Very low | 44.2 | Very low | 139 Ų | 139 | 135.1 Ų | 135.1 | 61% | 0.61 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -72.9 | -23.9 | 176.4 | -105.2 | -96.2 | 0 | 0 | 0 | 114.3 | K20 W26 L27 L28 | K20-F24 WeakPolarHBondContact O-CB 3.43Å; K20-F24 PolarHBondContact O-N 3.14Å; K20-F24 VanDerWaalsContact O-N 3.14Å; F24-W26 VanDerWaalsContact C-N 3.35Å; F24-L27 PolarHBondContact O-N 3.04Å; F24-L28 HydrophobicContact CD1-CD1 4.29Å; F24-L28 PolarHBondContact O-N 2.8Å; F24-L28 VanDerWaalsContact O-N 3.15Å |
| 25 | S | 42.7 | Very low | 44 | Very low | 88 Ų | 88 | 139.9 Ų | 139.9 | 62% | 0.615 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -68.7 | -34.1 | 170 | -167.7 | 0 | 0 | 0 | 0 | 112 | R21 S23 | R21-S25 PolarHBondContact O-N 2.78Å; S23-S25 PolarHBondContact O-N 2.77Å |
| 26 | W | 42.8 | Very low | 43.8 | Very low | 200 Ų | 200 | 141.1 Ų | 141.1 | 76% | 0.758 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -77.4 | -22.3 | 175.8 | -117.6 | 89.7 | 0 | 0 | 0 | 114 | S23 F24 | S23-W26 PolarHBondContact O-N 3.16Å; F24-W26 VanDerWaalsContact C-N 3.35Å |
| 27 | L | 46.9 | Very low | 43.5 | Very low | 118 Ų | 118 | 141.9 Ų | 141.9 | 62% | 0.618 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -93.6 | -21.3 | 178.3 | -104.7 | 115.3 | 0 | 0 | 0 | 114.8 | S23 F24 | S23-L27 PolarHBondContact O-N 2.86Å; F24-L27 PolarHBondContact O-N 3.04Å |
| 28 | L | 48.6 | Very low | 43.7 | Very low | 131 Ų | 131 | 138.3 Ų | 138.3 | 69% | 0.686 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -90.5 | -3.4 | 173.4 | -75.8 | 169 | 0 | 0 | 0 | 114.3 | F24 | F24-L28 HydrophobicContact CD1-CD1 4.29Å; F24-L28 PolarHBondContact O-N 2.8Å; F24-L28 VanDerWaalsContact O-N 3.15Å |
| 29 | H | 41.8 | Very low | 44 | Very low | 175 Ų | 175 | 135.8 Ų | 135.8 | 81% | 0.81 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -88.1 | -12.2 | 163.3 | -156.2 | 91.6 | 0 | 0 | 0 | 112.6 | ||
| 30 | K | 47.2 | Very low | 44.2 | Very low | 155 Ų | 155 | 133.8 Ų | 133.8 | 67% | 0.674 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -87.8 | -13.8 | -176.3 | -129.7 | -173.9 | -170.2 | -176.8 | 0 | 114.3 | ||
| 31 | H | 47.9 | Very low | 44.5 | Very low | 161 Ų | 161 | 130.7 Ų | 130.7 | 75% | 0.745 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -150.4 | 79.7 | -179.3 | -94.8 | -91.9 | 0 | 0 | 0 | 111.5 | ||
| 32 | G | 38.7 | Very low | 44.7 | Very low | 57 Ų | 57 | 127.9 Ų | 127.9 | 59% | 0.588 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -144.2 | 110.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 33 | T | 43.8 | Very low | 44.9 | Very low | 124 Ų | 124 | 123.7 Ų | 123.7 | 76% | 0.761 | 64% | 0.643 | S | S | * | * | trans | 74.4 | 69.1 | 172.8 | 70.1 | 0 | 0 | 0 | 0 | 116.6 | R35 | T33-R35 PolarHBondContact O-N 3.37Š| ||
| 34 | K | 41.9 | Very low | 45 | Very low | 196 Ų | 196 | 126 Ų | 126 | 85% | 0.852 | 64% | 0.644 | S | S | * | * | trans | -53.8 | 92.5 | 145.4 | -82.6 | -176.8 | 176.9 | 179.7 | 0 | 108.4 | ||||
| 35 | R | 44.5 | Very low | 45.3 | Very low | 198 Ų | 198 | 127.4 Ų | 127.4 | 75% | 0.747 | 65% | 0.645 | S | S | * | * | trans | -70.5 | 142.6 | 163 | -78.5 | -165.3 | -91.8 | -146.9 | -3.1 | 108.6 | T33 H37 | T33-R35 PolarHBondContact O-N 3.37Å; R35-H37 PolarHBondContact O-N 2.8Å | ||
| 36 | P | 43.6 | Very low | 45.3 | Very low | 127 Ų | 127 | 131 Ų | 131 | 83% | 0.825 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | 40.3 | -172.2 | 34.2 | -37 | 0 | 0 | 0 | 112.6 | ||
| 37 | H | 42.4 | Very low | 45.6 | Very low | 136 Ų | 136 | 130 Ų | 130 | 63% | 0.63 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | -14.1 | 178.1 | -145.8 | -87.4 | 0 | 0 | 0 | 112.1 | R35 E41 | R35-H37 PolarHBondContact O-N 2.8Å; H37-E41 WeakPolarHBondContact O-CB 3.38Å; H37-E41 WeakPolarHBondContact O-CG 3.41Å; H37-E41 PolarHBondContact O-N 2.77Å |
| 38 | S | 47.8 | Very low | 45.4 | Very low | 79 Ų | 79 | 130.2 Ų | 130.2 | 55% | 0.552 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -82.7 | -28.6 | -175.8 | -37.8 | 0 | 0 | 0 | 0 | 113.6 | E42 | S38-E42 WeakPolarHBondContact O-CB 3.12Å; S38-E42 WeakPolarHBondContact O-CG 3.12Å; S38-E42 PolarHBondContact O-N 2.75Å |
| 39 | A | 48.8 | Very low | 44.8 | Very low | 71 Ų | 71 | 132.8 Ų | 132.8 | 59% | 0.587 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -77.1 | -34.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | S43 | A39-S43 VanDerWaalsContact O-CB 3.29Å; A39-S43 WeakPolarHBondContact O-CB 3.48Å; A39-S43 PolarHBondContact O-N 3.22Å |
| 40 | L | 47.8 | Very low | 44.5 | Very low | 120 Ų | 120 | 131.9 Ų | 131.9 | 63% | 0.628 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -73.3 | -38.2 | 175 | -168.1 | 66.7 | 0 | 0 | 0 | 111.3 | S43 K44 | L40-S43 PolarHBondContact O-N 3.09Å; L40-K44 PolarHBondContact O-N 3.09Å |
| 41 | E | 48.3 | Very low | 43.8 | Very low | 80 Ų | 80 | 129.6 Ų | 129.6 | 37% | 0.374 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -69.4 | -36.5 | 174.6 | -81.5 | -67.4 | 110.5 | 0 | 0 | 112.8 | H37 K44 R45 | H37-E41 WeakPolarHBondContact O-CB 3.38Å; H37-E41 WeakPolarHBondContact O-CG 3.41Å; H37-E41 PolarHBondContact O-N 2.77Å; E41-K44 PolarHBondContact O-N 2.87Å; E41-R45 WeakPolarHBondContact O-CB 3.49Å; E41-R45 PolarHBondContact O-N 3.38Å |
| 42 | E | 49.4 | Very low | 43.1 | Very low | 109 Ų | 109 | 126.3 Ų | 126.3 | 51% | 0.509 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -71.2 | -32.9 | 171.8 | -82.7 | -170.9 | 165.7 | 0 | 0 | 113 | S38 R45 R46 | S38-E42 WeakPolarHBondContact O-CB 3.12Å; S38-E42 WeakPolarHBondContact O-CG 3.12Å; S38-E42 PolarHBondContact O-N 2.75Å; E42-R45 PolarHBondContact O-N 2.87Å; E42-R46 PolarHBondContact O-N 3.42Å; E42-R46 IonicContact OE2-NH2 3.7Å |
| 43 | S | 44.1 | Very low | 42.8 | Very low | 61 Ų | 61 | 126.7 Ų | 126.7 | 43% | 0.427 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -68.1 | -37.3 | 173 | -166.4 | 0 | 0 | 0 | 0 | 111.5 | A39 L40 R47 | A39-S43 VanDerWaalsContact O-CB 3.29Å; A39-S43 WeakPolarHBondContact O-CB 3.48Å; A39-S43 PolarHBondContact O-N 3.22Å; L40-S43 PolarHBondContact O-N 3.09Å; S43-R47 PolarHBondContact O-N 3.21Å |
| 44 | K | 46.2 | Very low | 42.3 | Very low | 121 Ų | 121 | 131 Ų | 131 | 53% | 0.526 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -65 | -45 | 168.8 | -89.2 | -177.1 | 172 | -174.2 | 0 | 112.4 | L40 E41 R46 R47 I48 | L40-K44 PolarHBondContact O-N 3.09Å; E41-K44 PolarHBondContact O-N 2.87Å; K44-R46 VanDerWaalsContact C-N 3.33Å; K44-R46 PolarHBondContact O-N 3.45Å; K44-R47 PolarHBondContact O-N 2.85Å; K44-I48 PolarHBondContact O-N 3.07Å |
| 45 | R | 46.3 | Very low | 42.1 | Very low | 169 Ų | 169 | 125.8 Ų | 125.8 | 64% | 0.638 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -66.1 | -31.5 | -179.8 | -129.2 | -174.2 | -76.6 | -157.2 | -3.2 | 113.3 | E41 E42 | E41-R45 WeakPolarHBondContact O-CB 3.49Å; E41-R45 PolarHBondContact O-N 3.38Å; E42-R45 PolarHBondContact O-N 2.87Å |
| 46 | R | 41.5 | Very low | 41.6 | Very low | 164 Ų | 164 | 123.3 Ų | 123.3 | 62% | 0.619 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -72.2 | -33.6 | 173.9 | -80.6 | -171.2 | -113.4 | -140.6 | -3.2 | 113 | E42 K44 H50 | E42-R46 PolarHBondContact O-N 3.42Å; E42-R46 IonicContact OE2-NH2 3.7Å; K44-R46 VanDerWaalsContact C-N 3.33Å; K44-R46 PolarHBondContact O-N 3.45Å; R46-H50 PolarHBondContact O-N 2.86Å |
| 47 | R | 49.2 | Very low | 41.2 | Very low | 177 Ų | 177 | 123.9 Ų | 123.9 | 67% | 0.668 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -69.8 | -35.9 | 176.5 | -107.8 | -167.5 | -74.5 | -158.4 | -0.7 | 113.5 | S43 K44 R49 H50 C51 | S43-R47 PolarHBondContact O-N 3.21Å; K44-R47 PolarHBondContact O-N 2.85Å; R47-R49 VanDerWaalsContact C-N 3.33Å; R47-R49 PolarHBondContact O-N 3.2Å; R47-H50 PolarHBondContact O-N 2.95Å; R47-C51 PolarHBondContact O-N 3.39Å |
| 48 | I | 43.8 | Very low | 40.9 | Very low | 123 Ų | 123 | 120.6 Ų | 120.6 | 63% | 0.631 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -65.4 | -36.8 | 177.4 | -64 | 177.2 | 0 | 0 | 0 | 111.3 | K44 H50 S52 | K44-I48 PolarHBondContact O-N 3.07Å; I48-H50 VanDerWaalsContact C-N 3.34Å; I48-H50 PolarHBondContact O-N 2.78Å; I48-S52 PolarHBondContact O-N 2.78Å |
| 49 | R | 35.4 | Very low | 40.2 | Very low | 186 Ų | 186 | 126.1 Ų | 126.1 | 70% | 0.702 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -68.9 | -29.8 | 174.3 | -79 | -163.9 | -74.4 | -158.7 | -1.6 | 113.7 | R47 | R47-R49 VanDerWaalsContact C-N 3.33Å; R47-R49 PolarHBondContact O-N 3.2Å |
| 50 | H | 35.7 | Very low | 39.4 | Very low | 156 Ų | 156 | 126.8 Ų | 126.8 | 72% | 0.722 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -79.4 | -25.7 | -179.5 | -118.7 | 67.7 | 0 | 0 | 0 | 113.7 | R46 R47 I48 | R46-H50 PolarHBondContact O-N 2.86Å; R47-H50 PolarHBondContact O-N 2.95Å; I48-H50 VanDerWaalsContact C-N 3.34Å; I48-H50 PolarHBondContact O-N 2.78Å |
| 51 | C | 32.9 | Very low | 38.5 | Very low | 107 Ų | 107 | 129.8 Ų | 129.8 | 72% | 0.723 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -78.3 | -23.6 | 172.6 | -75.5 | 0 | 0 | 0 | 0 | 113.4 | R47 A53 | R47-C51 PolarHBondContact O-N 3.39Å; C51-A53 VanDerWaalsContact C-N 3.32Å |
| 52 | S | 33 | Very low | 37.6 | Very low | 91 Ų | 91 | 134.2 Ų | 134.2 | 64% | 0.636 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -77.1 | -18.5 | 175.7 | -162.5 | 0 | 0 | 0 | 0 | 113.4 | I48 | I48-S52 PolarHBondContact O-N 2.78Å |
| 53 | A | 32 | Very low | 36.8 | Very low | 66 Ų | 66 | 133.8 Ų | 133.8 | 55% | 0.545 | 70% | 0.697 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.2 | -5.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114 | C51 | C51-A53 VanDerWaalsContact C-N 3.32Š|
| 54 | R | 34.1 | Very low | 36.2 | Very low | 214 Ų | 214 | 139.7 Ų | 139.7 | 81% | 0.808 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.2 | 23.4 | 178.9 | -151.1 | 177.6 | -175 | 87.6 | 2.3 | 113.2 | ||
| 55 | A | 37.1 | Very low | 35.7 | Very low | 87 Ų | 87 | 143.6 Ų | 143.6 | 72% | 0.719 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -116.1 | 12.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 56 | D | 34.1 | Very low | 35.3 | Very low | 145 Ų | 145 | 137.8 Ų | 137.8 | 78% | 0.775 | 73% | 0.727 | S | S | * | * | trans | -119.8 | 16 | -178.5 | -122 | -73.6 | 0 | 0 | 0 | 113.6 | ||||
| 57 | D | 35.8 | Very low | 35.2 | Very low | 139 Ų | 139 | 137 Ų | 137 | 74% | 0.743 | 74% | 0.735 | S | S | * | * | trans | -107.4 | 61.1 | 175.5 | -54.6 | -43.1 | 0 | 0 | 0 | 110.2 | ||||
| 58 | G | 34.9 | Very low | 35 | Very low | 68 Ų | 68 | 135.6 Ų | 135.6 | 70% | 0.701 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -137.9 | 84.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 59 | Q | 33.6 | Very low | 35 | Very low | 194 Ų | 194 | 135.5 Ų | 135.5 | 91% | 0.907 | 74% | 0.735 | S | S | * | * | trans | 8.5 | 118.3 | 162.5 | -69.9 | 171.4 | 18.2 | 0 | 0 | 117 | F61 | Q59-F61 PolarHBondContact O-N 2.77Å; Q59-F61 VanDerWaalsContact O-N 3.13Å | ||
| 60 | G | 32.1 | Very low | 35.5 | Very low | 86 Ų | 86 | 129.6 Ų | 129.6 | 89% | 0.887 | 73% | 0.732 | S | S | * | * | trans | -49.7 | 114.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 61 | F | 28.8 | Very low | 36.1 | Very low | 182 Ų | 182 | 130.2 Ų | 130.2 | 80% | 0.798 | 73% | 0.733 | S | S | * | * | trans | -103.7 | 104.1 | 148.8 | -176.4 | -102.9 | 0 | 0 | 0 | 105.9 | Q59 P63 | Q59-F61 PolarHBondContact O-N 2.77Å; Q59-F61 VanDerWaalsContact O-N 3.13Å; F61-P63 WeakPolarHBondContact O-CD 3.41Å; F61-P63 VanDerWaalsContact O-N 3.12Å | ||
| 62 | Q | 30 | Very low | 36.8 | Very low | 174 Ų | 174 | 131.7 Ų | 131.7 | 81% | 0.813 | 73% | 0.727 | S | S | * | * | trans | -58.1 | 113.3 | 167.5 | -71.8 | -95.1 | 11.9 | 0 | 0 | 106.6 | H64 | Q62-H64 PolarHBondContact O-N 2.79Š| ||
| 63 | P | 31.4 | Very low | 37.6 | Very low | 100 Ų | 100 | 133.1 Ų | 133.1 | 65% | 0.649 | 72% | 0.724 | S | S | * | * | trans | -63.2 | 116.6 | 168.7 | 27.2 | -29 | 0 | 0 | 0 | 105.4 | F61 K65 | F61-P63 WeakPolarHBondContact O-CD 3.41Å; F61-P63 VanDerWaalsContact O-N 3.12Å; P63-K65 PolarHBondContact O-N 3.48Å; P63-K65 VanDerWaalsContact O-N 3.09Å | ||
| 64 | H | 33.1 | Very low | 38.4 | Very low | 185 Ų | 185 | 133.2 Ų | 133.2 | 86% | 0.856 | 73% | 0.725 | S | S | * | * | trans | -45.9 | 125.5 | 167.4 | -144.7 | -94.6 | 0 | 0 | 0 | 106.4 | Q62 G66 | Q62-H64 PolarHBondContact O-N 2.79Å; H64-G66 PolarHBondContact O-N 3.32Å | ||
| 65 | K | 35.8 | Very low | 39.2 | Very low | 202 Ų | 202 | 128.6 Ų | 128.6 | 88% | 0.878 | 72% | 0.715 | S | S | * | * | trans | -57.8 | 77.2 | -178.5 | -173.6 | 173.7 | 178.9 | 170.8 | 0 | 109.2 | P63 N67 | P63-K65 PolarHBondContact O-N 3.48Å; P63-K65 VanDerWaalsContact O-N 3.09Å; K65-N67 PolarHBondContact O-N 2.84Å | ||
| 66 | G | 36.9 | Very low | 40.1 | Very low | 48 Ų | 48 | 128.4 Ų | 128.4 | 50% | 0.495 | 70% | 0.702 | S | S | . | * | trans | -64.1 | 119.4 | 164.6 | 0 | 0 | 0 | 0 | 0 | 104.6 | H64 F68 | H64-G66 PolarHBondContact O-N 3.32Å; G66-F68 PolarHBondContact O-N 2.87Å | ||
| 67 | N | 40.5 | Very low | 41 | Very low | 147 Ų | 147 | 126.6 Ų | 126.6 | 79% | 0.786 | 69% | 0.692 | S | S | * | * | trans | -59.5 | 77.7 | 174.6 | -176.5 | 83.1 | 0 | 0 | 0 | 108.6 | K65 D69 | K65-N67 PolarHBondContact O-N 2.84Å; N67-D69 PolarHBondContact O-N 3.46Å | ||
| 68 | F | 43.2 | Very low | 42 | Very low | 147 Ų | 147 | 122.5 Ų | 122.5 | 65% | 0.645 | 68% | 0.678 | S | S | * | * | trans | -64.2 | 124.7 | 171.6 | -95.6 | -93.9 | 0 | 0 | 0 | 106.3 | G66 G70 L128 | G66-F68 PolarHBondContact O-N 2.87Å; F68-G70 PolarHBondContact O-N 3.17Å; F68-L128 HydrophobicContact CE1-CD1 3.71Å; F68-L128 HydrophobicContact CZ-CD1 3.72Å | ||
| 69 | D | 44.7 | Very low | 42.9 | Very low | 122 Ų | 122 | 124.9 Ų | 124.9 | 65% | 0.652 | 67% | 0.671 | S | S | * | * | trans | -53.9 | 50.1 | 173.2 | -71.8 | -86.7 | 0 | 0 | 0 | 114.4 | N67 K71 F72 | N67-D69 PolarHBondContact O-N 3.46Å; D69-K71 PolarHBondContact O-N 3.36Å; D69-F72 PolarHBondContact O-N 2.8Å; D69-F72 VanDerWaalsContact O-N 3.11Å | ||
| 70 | G | 46.2 | Very low | 43.7 | Very low | 62 Ų | 62 | 120 Ų | 120 | 64% | 0.639 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | 8.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | F68 | F68-G70 PolarHBondContact O-N 3.17Š|
| 71 | K | 47.1 | Very low | 44.7 | Very low | 168 Ų | 168 | 120.2 Ų | 120.2 | 73% | 0.73 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | -19.3 | 172.6 | -153.1 | 171.1 | -176.4 | -178.3 | 0 | 112.3 | D69 L75 | D69-K71 PolarHBondContact O-N 3.36Å; K71-L75 HydrophobicContact CG-CD1 4.31Å; K71-L75 WeakPolarHBondContact O-CD1 3.13Å |
| 72 | F | 48 | Very low | 46 | Very low | 139 Ų | 139 | 120 Ų | 120 | 61% | 0.61 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -89.1 | -36.3 | -173.6 | -145.7 | -94.8 | 0 | 0 | 0 | 113.2 | D69 D76 | D69-F72 PolarHBondContact O-N 2.8Å; D69-F72 VanDerWaalsContact O-N 3.11Å; F72-D76 WeakPolarHBondContact O-CB 3.21Å; F72-D76 PolarHBondContact O-N 2.73Å |
| 73 | E | 50.1 | Low | 47.1 | Very low | 120 Ų | 120 | 119 Ų | 119 | 56% | 0.561 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -72.4 | -37.6 | -178.8 | -76.8 | -177.1 | 95 | 0 | 0 | 113.9 | L77 | E73-L77 WeakPolarHBondContact O-CB 3.27Å; E73-L77 PolarHBondContact O-N 3.45Å; E73-L77 VanDerWaalsContact O-N 3.09Å |
| 74 | A | 48.6 | Very low | 48.3 | Very low | 68 Ų | 68 | 118.2 Ų | 118.2 | 56% | 0.562 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -73.9 | -32.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A78 | A74-A78 WeakPolarHBondContact O-CB 3.31Å; A74-A78 PolarHBondContact O-N 3.41Å |
| 75 | L | 52 | Low | 49.4 | Very low | 117 Ų | 117 | 114.6 Ų | 114.6 | 61% | 0.613 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -78.2 | -40.3 | 180 | -83.8 | 163.8 | 0 | 0 | 0 | 111.7 | K71 E79 | K71-L75 HydrophobicContact CG-CD1 4.31Å; K71-L75 WeakPolarHBondContact O-CD1 3.13Å; L75-E79 WeakPolarHBondContact O-CB 3.34Å; L75-E79 PolarHBondContact O-N 3.41Å; L75-E79 VanDerWaalsContact O-N 3.15Å |
| 76 | D | 55.8 | Low | 50.5 | Low | 84 Ų | 84 | 110.2 Ų | 110.2 | 45% | 0.449 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -79.6 | -40.3 | -178.8 | -148.7 | -88.9 | 0 | 0 | 0 | 112.3 | F72 E79 L80 | F72-D76 WeakPolarHBondContact O-CB 3.21Å; F72-D76 PolarHBondContact O-N 2.73Å; D76-E79 PolarHBondContact O-N 3.49Å; D76-L80 VanDerWaalsContact O-CB 3.28Å; D76-L80 WeakPolarHBondContact O-CB 3.29Å; D76-L80 WeakPolarHBondContact O-CG 3.43Å; D76-L80 PolarHBondContact O-N 3.37Å; D76-L80 WeakPolarHBondContact OD1-CD1 3.43Å |
| 77 | L | 52.8 | Low | 51.5 | Low | 106 Ų | 106 | 113.4 Ų | 113.4 | 56% | 0.555 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -70.6 | -37.1 | 178.4 | -156 | 71.2 | 0 | 0 | 0 | 111.7 | E73 T81 | E73-L77 WeakPolarHBondContact O-CB 3.27Å; E73-L77 PolarHBondContact O-N 3.45Å; E73-L77 VanDerWaalsContact O-N 3.09Å; L77-T81 VanDerWaalsContact O-CB 3.31Å; L77-T81 WeakPolarHBondContact O-CB 3.18Å; L77-T81 PolarHBondContact O-N 2.91Å; L77-T81 PolarHBondContact O-OG1 3.3Å |
| 78 | A | 55.5 | Low | 52.2 | Low | 54 Ų | 54 | 116.6 Ų | 116.6 | 45% | 0.446 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -67.8 | -38.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | A74 T81 K82 | A74-A78 WeakPolarHBondContact O-CB 3.31Å; A74-A78 PolarHBondContact O-N 3.41Å; A78-T81 PolarHBondContact O-N 2.8Å; A78-K82 WeakPolarHBondContact O-CB 3.31Å; A78-K82 PolarHBondContact O-N 2.77Å |
| 79 | E | 53.9 | Low | 52.8 | Low | 118 Ų | 118 | 117.6 Ų | 117.6 | 55% | 0.551 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -69.3 | -40.1 | 177.9 | -158.3 | 77.5 | 171.2 | 0 | 0 | 111.8 | L75 D76 T81 K82 K83 | L75-E79 WeakPolarHBondContact O-CB 3.34Å; L75-E79 PolarHBondContact O-N 3.41Å; L75-E79 VanDerWaalsContact O-N 3.15Å; D76-E79 PolarHBondContact O-N 3.49Å; E79-T81 PolarHBondContact O-N 3.37Å; E79-K82 PolarHBondContact O-N 3.02Å; E79-K83 PolarHBondContact O-N 2.9Å |
| 80 | L | 51.4 | Low | 53.5 | Low | 90 Ų | 90 | 115 Ų | 115 | 47% | 0.471 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -63.3 | -39.3 | 174.1 | -76.3 | 168.9 | 0 | 0 | 0 | 112.2 | D76 | D76-L80 VanDerWaalsContact O-CB 3.28Å; D76-L80 WeakPolarHBondContact O-CB 3.29Å; D76-L80 WeakPolarHBondContact O-CG 3.43Å; D76-L80 PolarHBondContact O-N 3.37Å; D76-L80 WeakPolarHBondContact OD1-CD1 3.43Å |
| 81 | T | 53.5 | Low | 53.9 | Low | 91 Ų | 91 | 118.9 Ų | 118.9 | 56% | 0.558 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -78.1 | -27.6 | 179.4 | -45.4 | 0 | 0 | 0 | 0 | 112 | L77 A78 E79 | L77-T81 VanDerWaalsContact O-CB 3.31Å; L77-T81 WeakPolarHBondContact O-CB 3.18Å; L77-T81 PolarHBondContact O-N 2.91Å; L77-T81 PolarHBondContact O-OG1 3.3Å; A78-T81 PolarHBondContact O-N 2.8Å; E79-T81 PolarHBondContact O-N 3.37Å |
| 82 | K | 55.5 | Low | 54.2 | Low | 178 Ų | 178 | 113.3 Ų | 113.3 | 77% | 0.774 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -87.9 | -20.8 | -172.7 | -163.1 | 175.2 | -171.8 | 177.2 | 0 | 114.1 | A78 E79 | A78-K82 WeakPolarHBondContact O-CB 3.31Å; A78-K82 PolarHBondContact O-N 2.77Å; E79-K82 PolarHBondContact O-N 3.02Å |
| 83 | K | 53.5 | Low | 53.9 | Low | 152 Ų | 152 | 114.3 Ų | 114.3 | 66% | 0.661 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -109.1 | 12.9 | -168.3 | -132.1 | -160.4 | -174.1 | -159.3 | 0 | 117.9 | E79 | E79-K83 PolarHBondContact O-N 2.9Š|
| 84 | Q | 55.3 | Low | 53.5 | Low | 85 Ų | 85 | 117 Ų | 117 | 40% | 0.397 | 58% | 0.582 | S | S | . | * | trans | -129.6 | 98.1 | -164 | -71.9 | -52.2 | -26.3 | 0 | 0 | 115.2 | W86 W87 | Q84-W86 VanDerWaalsContact CB-CD1 3.45Å; Q84-W86 HydrophobicContact CB-CG 4.33Å; Q84-W86 HydrophobicContact CB-CZ2 4.5Å; Q84-W86 HydrophobicContact CG-CZ2 4.42Å; Q84-W86 PolarHBondContact O-N 3.2Å; Q84-W86 VanDerWaalsContact O-N 3.16Å; Q84-W87 WeakPolarHBondContact O-CB 3.13Å; Q84-W87 PolarHBondContact O-N 3.3Å; Q84-W87 VanDerWaalsContact O-N 3.15Å | ||
| 85 | P | 57.1 | Low | 53.8 | Low | 109 Ų | 109 | 119.5 Ų | 119.5 | 71% | 0.708 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -57.3 | -24.6 | 172.4 | -21.8 | 31.4 | 0 | 0 | 0 | 113.8 | W87 | P85-W87 VanDerWaalsContact C-N 3.31Å; P85-W87 PolarHBondContact O-N 3.35Å |
| 86 | W | 59.2 | Low | 53.4 | Low | 109 Ų | 109 | 116.1 Ų | 116.1 | 41% | 0.413 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -72.4 | -20.1 | 179 | 68.1 | -88.9 | 0 | 0 | 0 | 113.9 | Q84 R88 K89 L90 | Q84-W86 VanDerWaalsContact CB-CD1 3.45Å; Q84-W86 HydrophobicContact CB-CG 4.33Å; Q84-W86 HydrophobicContact CB-CZ2 4.5Å; Q84-W86 HydrophobicContact CG-CZ2 4.42Å; Q84-W86 PolarHBondContact O-N 3.2Å; Q84-W86 VanDerWaalsContact O-N 3.16Å; W86-R88 VanDerWaalsContact C-N 3.31Å; W86-R88 PolarHBondContact O-N 2.96Å; W86-K89 CarbonylContact O-C 3.49Å; W86-K89 WeakPolarHBondContact O-CA 3.29Å; W86-K89 WeakPolarHBondContact O-CB 3.19Å; W86-K89 PolarHBondContact O-N 2.99Å; W86-L90 HydrophobicContact CE3-CD1 3.25Å; W86-L90 HydrophobicContact CE3-CG 3.81Å; W86-L90 HydrophobicContact CH2-CD1 4.4Å; W86-L90 HydrophobicContact CZ3-CD1 3.13Å; W86-L90 HydrophobicContact CZ3-CG 4.18Å; W86-L90 PolarHBondContact O-N 2.89Å |
| 87 | W | 57.4 | Low | 53.2 | Low | 116 Ų | 116 | 118.5 Ų | 118.5 | 44% | 0.439 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -63.8 | -39.1 | 178.9 | -158.5 | -85.5 | 0 | 0 | 0 | 111.4 | Q84 P85 K89 L90 F91 | Q84-W87 WeakPolarHBondContact O-CB 3.13Å; Q84-W87 PolarHBondContact O-N 3.3Å; Q84-W87 VanDerWaalsContact O-N 3.15Å; P85-W87 VanDerWaalsContact C-N 3.31Å; P85-W87 PolarHBondContact O-N 3.35Å; W87-K89 VanDerWaalsContact C-N 3.31Å; W87-K89 PolarHBondContact O-N 2.72Å; W87-L90 PolarHBondContact O-N 2.75Å; W87-F91 AromaticContact CD1-CD2 3.58Å; W87-F91 AromaticContact CD1-CE2 3.97Å; W87-F91 HydrophobicContact CD2-CD2 4.37Å; W87-F91 HydrophobicContact CD2-CE2 4.1Å; W87-F91 AromaticContact CE2-CD2 3.98Å; W87-F91 AromaticContact CE2-CE2 3.53Å; W87-F91 HydrophobicContact CG-CD2 4.15Å; W87-F91 HydrophobicContact CG-CE2 4.37Å; W87-F91 AromaticContact CZ2-CE2 3.85Å; W87-F91 HydrophobicContact CZ2-CE2 3.85Å; W87-F91 AromaticContact NE1-CD2 3.45Å; W87-F91 AromaticContact NE1-CE2 3.43Å; W87-F91 WeakPolarHBondContact O-CD2 3.49Å; W87-F91 PolarHBondContact O-N 2.85Å; W87-F91 VanDerWaalsContact O-N 3.08Å |
| 88 | R | 55.1 | Low | 52.6 | Low | 214 Ų | 214 | 119.3 Ų | 119.3 | 81% | 0.808 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -70.5 | -26.5 | 172.3 | -65.4 | -176.6 | -175.6 | -97.4 | 1.1 | 112.5 | W86 G92 | W86-R88 VanDerWaalsContact C-N 3.31Å; W86-R88 PolarHBondContact O-N 2.96Å; R88-G92 WeakPolarHBondContact O-CA 3.03Å; R88-G92 PolarHBondContact O-N 2.95Å |
| 89 | K | 55.5 | Low | 52.2 | Low | 168 Ų | 168 | 121 Ų | 121 | 73% | 0.73 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -73.5 | -34.9 | 172.9 | -86.5 | 178.9 | 169.9 | 177.9 | 0 | 112.7 | W86 W87 | W86-K89 CarbonylContact O-C 3.49Å; W86-K89 WeakPolarHBondContact O-CA 3.29Å; W86-K89 WeakPolarHBondContact O-CB 3.19Å; W86-K89 PolarHBondContact O-N 2.99Å; W87-K89 VanDerWaalsContact C-N 3.31Å; W87-K89 PolarHBondContact O-N 2.72Å |
| 90 | L | 59.2 | Low | 51.8 | Low | 68 Ų | 68 | 123.4 Ų | 123.4 | 36% | 0.356 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -77.9 | -32.6 | 176.6 | -76.2 | -171.7 | 0 | 0 | 0 | 113.9 | W86 W87 T106 I110 | W86-L90 HydrophobicContact CE3-CD1 3.25Å; W86-L90 HydrophobicContact CE3-CG 3.81Å; W86-L90 HydrophobicContact CH2-CD1 4.4Å; W86-L90 HydrophobicContact CZ3-CD1 3.13Å; W86-L90 HydrophobicContact CZ3-CG 4.18Å; W86-L90 PolarHBondContact O-N 2.89Å; W87-L90 PolarHBondContact O-N 2.75Å; L90-T106 HydrophobicContact CD2-CG2 4.04Å; L90-I110 HydrophobicContact CD1-CD1 4.24Å; L90-I110 HydrophobicContact CD1-CG1 4.11Å; L90-I110 HydrophobicContact CD2-CD1 4.29Å |
| 91 | F | 56.3 | Low | 51.6 | Low | 142 Ų | 142 | 128 Ų | 128 | 62% | 0.623 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -104.7 | -8.1 | -177.7 | -69.9 | -75.1 | 0 | 0 | 0 | 114.4 | W87 | W87-F91 AromaticContact CD1-CD2 3.58Å; W87-F91 AromaticContact CD1-CE2 3.97Å; W87-F91 HydrophobicContact CD2-CD2 4.37Å; W87-F91 HydrophobicContact CD2-CE2 4.1Å; W87-F91 AromaticContact CE2-CD2 3.98Å; W87-F91 AromaticContact CE2-CE2 3.53Å; W87-F91 HydrophobicContact CG-CD2 4.15Å; W87-F91 HydrophobicContact CG-CE2 4.37Å; W87-F91 AromaticContact CZ2-CE2 3.85Å; W87-F91 HydrophobicContact CZ2-CE2 3.85Å; W87-F91 AromaticContact NE1-CD2 3.45Å; W87-F91 AromaticContact NE1-CE2 3.43Å; W87-F91 WeakPolarHBondContact O-CD2 3.49Å; W87-F91 PolarHBondContact O-N 2.85Å; W87-F91 VanDerWaalsContact O-N 3.08Å |
| 92 | G | 51.6 | Low | 51.2 | Low | 52 Ų | 52 | 133.1 Ų | 133.1 | 54% | 0.536 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -111.8 | -22.8 | -165 | 0 | 0 | 0 | 0 | 0 | 118.5 | R88 | R88-G92 WeakPolarHBondContact O-CA 3.03Å; R88-G92 PolarHBondContact O-N 2.95Å |
| 93 | Q | 42.8 | Very low | 51.2 | Low | 159 Ų | 159 | 128.6 Ų | 128.6 | 74% | 0.743 | 67% | 0.666 | S | S | * | * | trans | -169.9 | 108.1 | 177.3 | -120.6 | -171.5 | -75.6 | 0 | 0 | 111.2 | ||||
| 94 | E | 40.7 | Very low | 51.5 | Low | 177 Ų | 177 | 123.8 Ų | 123.8 | 83% | 0.827 | 65% | 0.649 | S | S | * | * | trans | -159.7 | 53.9 | 143.8 | -89.9 | -53.9 | 133.1 | 0 | 0 | 106.6 | ||||
| 95 | S | 55.7 | Low | 51.9 | Low | 121 Ų | 121 | 122.6 Ų | 122.6 | 85% | 0.846 | 65% | 0.654 | S | S | * | * | trans | -89.9 | 83.2 | 155.9 | 48.7 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 96 | G | 43.7 | Very low | 52.5 | Low | 46 Ų | 46 | 119.9 Ų | 119.9 | 47% | 0.474 | 64% | 0.635 | S | S | . | * | S | Bend | trans | -170.1 | 141.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 97 | P | 51.6 | Low | 52.9 | Low | 133 Ų | 133 | 118.8 Ų | 118.8 | 86% | 0.864 | 64% | 0.635 | S | S | * | * | trans | -94.8 | 116.3 | -137.7 | 34.4 | -31.5 | 0 | 0 | 0 | 114.2 | ||||
| 98 | S | 39.7 | Very low | 53.8 | Low | 124 Ų | 124 | 115.9 Ų | 115.9 | 87% | 0.867 | 63% | 0.628 | S | S | * | * | trans | -153 | 105 | 145.8 | -118.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 99 | A | 47.4 | Very low | 55 | Low | 89 Ų | 89 | 111.4 Ų | 111.4 | 74% | 0.736 | 62% | 0.619 | S | S | * | * | trans | -67.6 | 150.2 | -170.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 100 | E | 46.6 | Very low | 56.1 | Low | 169 Ų | 169 | 106.3 Ų | 106.3 | 79% | 0.79 | 60% | 0.599 | S | S | * | * | S | Bend | trans | 89.2 | -26.5 | 153.2 | -79.1 | -172.1 | 82.5 | 0 | 0 | 122.8 | ||
| 101 | K | 45.7 | Very low | 57 | Low | 185 Ų | 185 | 103.7 Ų | 103.7 | 80% | 0.804 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -121.9 | -16.2 | -169.5 | -59.5 | -74.5 | 176.4 | 159.1 | 0 | 118.1 | ||
| 102 | Y | 45.4 | Very low | 58.4 | Low | 200 Ų | 200 | 97.6 Ų | 97.6 | 78% | 0.784 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -108.2 | -13.5 | -177.2 | -149.3 | -103.2 | 0 | 0 | 0 | 114.5 | ||
| 103 | S | 55.8 | Low | 59.9 | Low | 83 Ų | 83 | 99.1 Ų | 99.1 | 58% | 0.58 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -76.5 | -30.6 | -177.6 | -163.9 | 0 | 0 | 0 | 0 | 113.4 | A105 Q107 | S103-A105 PolarHBondContact O-N 3.44Å; S103-Q107 WeakPolarHBondContact O-CB 3.18Å; S103-Q107 PolarHBondContact O-N 2.8Å |
| 104 | V | 60 | Low | 61.8 | Low | 51 Ų | 51 | 95.1 Ų | 95.1 | 31% | 0.309 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -69.6 | -36.9 | -176.5 | -176.9 | 0 | 0 | 0 | 0 | 112.5 | L108 L195 V196 | V104-L108 VanDerWaalsContact O-CB 3.26Å; V104-L108 WeakPolarHBondContact O-CB 3.01Å; V104-L108 PolarHBondContact O-N 3.38Å; V104-L195 HydrophobicContact CG1-CB 3.69Å; V104-L195 HydrophobicContact CG1-CD1 3.76Å; V104-L195 HydrophobicContact CG1-CG 4.37Å; V104-V196 HydrophobicContact CG1-CG2 4.44Å |
| 105 | A | 64.3 | Low | 63.7 | Low | 59 Ų | 59 | 86.7 Ų | 86.7 | 49% | 0.488 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -72.1 | -41.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S103 Q107 L108 L109 | S103-A105 PolarHBondContact O-N 3.44Å; A105-Q107 VanDerWaalsContact C-N 3.33Å; A105-L108 WeakPolarHBondContact O-CB 3.14Å; A105-L108 PolarHBondContact O-N 3.33Å; A105-L109 WeakPolarHBondContact O-CB 3.38Å; A105-L109 PolarHBondContact O-N 3.47Å |
| 106 | T | 69.6 | Low | 65.1 | Low | 53 Ų | 53 | 85.6 Ų | 85.6 | 33% | 0.325 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.5 | -38.7 | 173.8 | -57.6 | 0 | 0 | 0 | 0 | 111.2 | L90 L109 I110 | L90-T106 HydrophobicContact CD2-CG2 4.04Å; T106-L109 PolarHBondContact O-N 3.48Å; T106-I110 HydrophobicContact CG2-CD1 3.98Å; T106-I110 VanDerWaalsContact O-CG1 3.3Å; T106-I110 WeakPolarHBondContact O-CG1 3.18Å; T106-I110 PolarHBondContact O-N 2.83Å |
| 107 | Q | 67.3 | Low | 66.9 | Low | 85 Ų | 85 | 86 Ų | 86 | 40% | 0.397 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -71.6 | -32.8 | 177.2 | -164.8 | -179.3 | -13.8 | 0 | 0 | 112.5 | S103 A105 L109 G111 V196 | S103-Q107 WeakPolarHBondContact O-CB 3.18Å; S103-Q107 PolarHBondContact O-N 2.8Å; A105-Q107 VanDerWaalsContact C-N 3.33Å; Q107-L109 VanDerWaalsContact C-N 3.32Å; Q107-G111 WeakPolarHBondContact O-CA 3.22Å; Q107-G111 PolarHBondContact O-N 2.84Å; Q107-V196 HydrophobicContact CB-CG2 3.73Å; Q107-V196 HydrophobicContact CG-CB 4.37Å; Q107-V196 HydrophobicContact CG-CG1 3.83Å; Q107-V196 HydrophobicContact CG-CG2 3.57Å |
| 108 | L | 75.9 | Confident | 68.5 | Low | 56 Ų | 56 | 82.8 Ų | 82.8 | 29% | 0.293 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60.8 | -42.7 | 167.5 | 179.4 | 85 | 0 | 0 | 0 | 111 | V104 A105 G111 G112 L195 G199 | V104-L108 VanDerWaalsContact O-CB 3.26Å; V104-L108 WeakPolarHBondContact O-CB 3.01Å; V104-L108 PolarHBondContact O-N 3.38Å; A105-L108 WeakPolarHBondContact O-CB 3.14Å; A105-L108 PolarHBondContact O-N 3.33Å; L108-G111 PolarHBondContact O-N 2.87Å; L108-G112 PolarHBondContact O-N 3.21Å; L108-L195 HydrophobicContact CD1-CB 4.23Å; L108-L195 WeakPolarHBondContact CD1-O 3.39Å; L108-G199 VanDerWaalsContact CD1-N 3.28Å |
| 109 | L | 79.6 | Confident | 70.5 | Confident | 120 Ų | 120 | 76.9 Ų | 76.9 | 63% | 0.628 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -73 | -43.7 | -176.1 | -159.5 | 144.3 | 0 | 0 | 0 | 111.5 | A105 T106 Q107 G112 V113 | A105-L109 WeakPolarHBondContact O-CB 3.38Å; A105-L109 PolarHBondContact O-N 3.47Å; T106-L109 PolarHBondContact O-N 3.48Å; Q107-L109 VanDerWaalsContact C-N 3.32Å; L109-G112 PolarHBondContact O-N 3.19Å; L109-V113 HydrophobicContact CD2-CG2 4.36Å; L109-V113 WeakPolarHBondContact O-CG2 3.18Å; L109-V113 PolarHBondContact O-N 2.9Å |
| 110 | I | 79.4 | Confident | 72 | Confident | 61 Ų | 61 | 76.4 Ų | 76.4 | 31% | 0.313 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -61.7 | -46.9 | 170.7 | -65.2 | 167.1 | 0 | 0 | 0 | 109.8 | L90 T106 G112 V113 T114 | L90-I110 HydrophobicContact CD1-CD1 4.24Å; L90-I110 HydrophobicContact CD1-CG1 4.11Å; L90-I110 HydrophobicContact CD2-CD1 4.29Å; T106-I110 HydrophobicContact CG2-CD1 3.98Å; T106-I110 VanDerWaalsContact O-CG1 3.3Å; T106-I110 WeakPolarHBondContact O-CG1 3.18Å; T106-I110 PolarHBondContact O-N 2.83Å; I110-G112 VanDerWaalsContact C-N 3.31Å; I110-G112 PolarHBondContact O-N 3.46Å; I110-V113 PolarHBondContact O-N 2.78Å; I110-T114 WeakPolarHBondContact O-CB 3.49Å; I110-T114 PolarHBondContact O-N 3.4Å; I110-T114 PolarHBondContact O-OG1 2.76Å |
| 111 | G | 77.8 | Confident | 73.5 | Confident | 12 Ų | 12 | 71.7 Ų | 71.7 | 12% | 0.124 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -57.2 | -43.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q107 L108 G115 F200 | Q107-G111 WeakPolarHBondContact O-CA 3.22Å; Q107-G111 PolarHBondContact O-N 2.84Å; L108-G111 PolarHBondContact O-N 2.87Å; G111-G115 WeakPolarHBondContact O-CA 3.36Å; G111-G115 PolarHBondContact O-N 3.42Å; G111-F200 VanDerWaalsContact O-CA 3.26Å; G111-F200 WeakPolarHBondContact O-CA 3.33Å; G111-F200 WeakPolarHBondContact O-CD2 3.49Å |
| 112 | G | 85.5 | Confident | 75.2 | Confident | 14 Ų | 14 | 68.3 Ų | 68.3 | 14% | 0.144 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -73 | -39.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | L108 L109 I110 G115 W116 G199 G203 | L108-G112 PolarHBondContact O-N 3.21Å; L109-G112 PolarHBondContact O-N 3.19Å; I110-G112 VanDerWaalsContact C-N 3.31Å; I110-G112 PolarHBondContact O-N 3.46Å; G112-G115 PolarHBondContact O-N 2.71Å; G112-W116 VanDerWaalsContact O-CB 3.27Å; G112-W116 WeakPolarHBondContact O-CB 3.38Å; G112-W116 PolarHBondContact O-N 2.92Å; G112-G199 WeakPolarHBondContact CA-O 3.49Å; G112-G203 WeakPolarHBondContact O-CA 3.19Å |
| 113 | V | 82.9 | Confident | 76.6 | Confident | 85 Ų | 85 | 61.4 Ų | 61.4 | 52% | 0.515 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -67.2 | -43 | 174.3 | 173.7 | 0 | 0 | 0 | 0 | 110.6 | L109 I110 G115 W116 C117 | L109-V113 HydrophobicContact CD2-CG2 4.36Å; L109-V113 WeakPolarHBondContact O-CG2 3.18Å; L109-V113 PolarHBondContact O-N 2.9Å; I110-V113 PolarHBondContact O-N 2.78Å; V113-G115 VanDerWaalsContact C-N 3.35Å; V113-W116 PolarHBondContact O-N 3.48Å; V113-C117 WeakPolarHBondContact O-CB 3.35Å; V113-C117 PolarHBondContact O-N 3.43Å |
| 114 | T | 83.6 | Confident | 77.4 | Confident | 74 Ų | 74 | 64 Ų | 64 | 45% | 0.454 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65.5 | -38.6 | 174.4 | -57.5 | 0 | 0 | 0 | 0 | 111.8 | I110 T118 | I110-T114 WeakPolarHBondContact O-CB 3.49Å; I110-T114 PolarHBondContact O-N 3.4Å; I110-T114 PolarHBondContact O-OG1 2.76Å; T114-T118 WeakPolarHBondContact O-CB 3.16Å; T114-T118 PolarHBondContact O-N 3.25Å; T114-T118 PolarHBondContact O-OG1 2.82Å |
| 115 | G | 81.1 | Confident | 78.1 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61 | -49.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | G111 G112 V113 C117 T118 G119 G203 F204 | G111-G115 WeakPolarHBondContact O-CA 3.36Å; G111-G115 PolarHBondContact O-N 3.42Å; G112-G115 PolarHBondContact O-N 2.71Å; V113-G115 VanDerWaalsContact C-N 3.35Å; G115-C117 PolarHBondContact O-N 3.35Å; G115-T118 PolarHBondContact O-N 2.81Å; G115-G119 PolarHBondContact O-N 3.13Å; G115-G203 VanDerWaalsContact C-C 3.47Å; G115-F204 VanDerWaalsContact C-CA 3.49Å; G115-F204 VanDerWaalsContact C-N 3.3Å; G115-F204 WeakPolarHBondContact O-CA 3.19Å |
| 116 | W | 85.4 | Confident | 78.7 | Confident | 98 Ų | 98 | 63.7 Ų | 63.7 | 37% | 0.371 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -58 | -47.6 | 177.6 | 177.8 | -84.6 | 0 | 0 | 0 | 112.6 | G112 V113 T118 G119 F120 G203 L206 G207 S210 | G112-W116 VanDerWaalsContact O-CB 3.27Å; G112-W116 WeakPolarHBondContact O-CB 3.38Å; G112-W116 PolarHBondContact O-N 2.92Å; V113-W116 PolarHBondContact O-N 3.48Å; W116-T118 PolarHBondContact O-N 2.89Å; W116-G119 PolarHBondContact O-N 2.93Å; W116-F120 WeakPolarHBondContact O-CB 3.44Å; W116-F120 PolarHBondContact O-N 2.89Å; W116-G203 WeakPolarHBondContact CA-O 3.35Å; W116-G203 PolarHBondContact N-O 3.01Å; W116-L206 HydrophobicContact CE3-CB 3.42Å; W116-L206 VanDerWaalsContact CE3-CB 3.42Å; W116-L206 HydrophobicContact CE3-CD2 3.81Å; W116-L206 HydrophobicContact CE3-CG 3.66Å; W116-L206 HydrophobicContact CH2-CG 4.1Å; W116-L206 HydrophobicContact CZ3-CB 3.26Å; W116-L206 HydrophobicContact CZ3-CD1 4.4Å; W116-L206 HydrophobicContact CZ3-CD2 3.61Å; W116-L206 HydrophobicContact CZ3-CG 3.11Å; W116-L206 WeakPolarHBondContact CZ3-O 3.14Å; W116-G207 VanDerWaalsContact CE3-CA 3.49Å; W116-G207 VanDerWaalsContact CZ3-N 3.3Å; W116-S210 VanDerWaalsContact CH2-CB 3.46Å; W116-S210 WeakPolarHBondContact CZ2-OG 3.11Å |
| 117 | C | 81.1 | Confident | 79.1 | Confident | 56 Ų | 56 | 68.1 Ų | 68.1 | 38% | 0.378 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.7 | -44.7 | 176.5 | -168.1 | 0 | 0 | 0 | 0 | 111.7 | V113 G115 G119 F120 I121 | V113-C117 WeakPolarHBondContact O-CB 3.35Å; V113-C117 PolarHBondContact O-N 3.43Å; G115-C117 PolarHBondContact O-N 3.35Å; C117-G119 PolarHBondContact O-N 2.81Å; C117-F120 PolarHBondContact O-N 2.75Å; C117-I121 WeakPolarHBondContact O-CG1 3.21Å; C117-I121 PolarHBondContact O-N 3.41Å |
| 118 | T | 85.1 | Confident | 79.7 | Confident | 64 Ų | 64 | 68.5 Ų | 68.5 | 39% | 0.393 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.2 | -41 | 176.9 | -54.1 | 0 | 0 | 0 | 0 | 111.9 | T114 G115 W116 I121 F122 F204 | T114-T118 WeakPolarHBondContact O-CB 3.16Å; T114-T118 PolarHBondContact O-N 3.25Å; T114-T118 PolarHBondContact O-OG1 2.82Å; G115-T118 PolarHBondContact O-N 2.81Å; W116-T118 PolarHBondContact O-N 2.89Å; T118-I121 PolarHBondContact O-N 3.13Å; T118-F122 VanDerWaalsContact O-CB 3.31Å; T118-F122 WeakPolarHBondContact O-CB 3.47Å; T118-F122 PolarHBondContact O-N 2.78Å; T118-F204 HydrophobicContact CG2-CD2 4.27Å; T118-F204 HydrophobicContact CG2-CE2 4.29Å |
| 119 | G | 81.1 | Confident | 79.9 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -65.8 | -39.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | G115 W116 C117 F122 Q123 F204 G207 | G115-G119 PolarHBondContact O-N 3.13Å; W116-G119 PolarHBondContact O-N 2.93Å; C117-G119 PolarHBondContact O-N 2.81Å; G119-F122 PolarHBondContact O-N 3.13Å; G119-Q123 PolarHBondContact O-N 3.48Å; G119-F204 VanDerWaalsContact CA-CD2 3.43Å; G119-G207 VanDerWaalsContact C-C 3.48Å; G119-G207 CarbonylContact C-O 3.49Å |
| 120 | F | 78.4 | Confident | 80 | Confident | 80 Ų | 80 | 65.6 Ų | 65.6 | 35% | 0.351 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.3 | -43.6 | 176.7 | -175.7 | -102.4 | 0 | 0 | 0 | 112 | W116 C117 F122 Q123 G207 | W116-F120 WeakPolarHBondContact O-CB 3.44Å; W116-F120 PolarHBondContact O-N 2.89Å; C117-F120 PolarHBondContact O-N 2.75Å; F120-F122 VanDerWaalsContact C-N 3.33Å; F120-Q123 PolarHBondContact O-N 3.45Å; F120-G207 VanDerWaalsContact CA-O 3.3Å; F120-G207 WeakPolarHBondContact CA-O 3.49Å; F120-G207 PolarHBondContact N-O 3.14Å |
| 121 | I | 79.8 | Confident | 80.2 | Confident | 70 Ų | 70 | 67.4 Ų | 67.4 | 36% | 0.359 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.5 | -40 | 174.7 | -62.9 | 166.6 | 0 | 0 | 0 | 110.3 | C117 T118 Q123 K124 V125 | C117-I121 WeakPolarHBondContact O-CG1 3.21Å; C117-I121 PolarHBondContact O-N 3.41Å; T118-I121 PolarHBondContact O-N 3.13Å; I121-Q123 VanDerWaalsContact C-N 3.27Å; I121-Q123 PolarHBondContact O-N 2.78Å; I121-K124 PolarHBondContact O-N 2.69Å; I121-V125 PolarHBondContact O-N 3.26Å |
| 122 | F | 80.4 | Confident | 80.7 | Confident | 114 Ų | 114 | 70.1 Ų | 70.1 | 50% | 0.5 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.9 | -28.8 | 178.2 | -171.1 | -99.2 | 0 | 0 | 0 | 112.9 | T118 G119 F120 G126 F204 M208 | T118-F122 VanDerWaalsContact O-CB 3.31Å; T118-F122 WeakPolarHBondContact O-CB 3.47Å; T118-F122 PolarHBondContact O-N 2.78Å; G119-F122 PolarHBondContact O-N 3.13Å; F120-F122 VanDerWaalsContact C-N 3.33Å; F122-G126 WeakPolarHBondContact O-CA 3.36Å; F122-G126 PolarHBondContact O-N 2.85Å; F122-F204 HydrophobicContact CB-CE2 4.04Å; F122-F204 HydrophobicContact CB-CZ 4.4Å; F122-F204 HydrophobicContact CD1-CE2 4.43Å; F122-F204 AromaticContact CD1-CZ 3.95Å; F122-F204 HydrophobicContact CD1-CZ 3.95Å; F122-F204 HydrophobicContact CE1-CZ 4.41Å; F122-F204 HydrophobicContact CG-CE2 4.22Å; F122-F204 HydrophobicContact CG-CZ 4.12Å; F122-M208 HydrophobicContact CD1-CG 4.16Å; F122-M208 HydrophobicContact CD1-SD 3.59Å; F122-M208 VanDerWaalsContact CD1-SD 3.59Å; F122-M208 HydrophobicContact CE1-SD 3.93Å |
| 123 | Q | 74.1 | Confident | 80.7 | Confident | 54 Ų | 54 | 74.7 Ų | 74.7 | 25% | 0.252 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -68.6 | -38.3 | 173.6 | -77.9 | -68.1 | -42.1 | 0 | 0 | 113.2 | G119 F120 I121 K127 M208 | G119-Q123 PolarHBondContact O-N 3.48Å; F120-Q123 PolarHBondContact O-N 3.45Å; I121-Q123 VanDerWaalsContact C-N 3.27Å; I121-Q123 PolarHBondContact O-N 2.78Å; Q123-K127 WeakPolarHBondContact O-CB 2.93Å; Q123-K127 WeakPolarHBondContact O-CG 3.21Å; Q123-K127 PolarHBondContact O-N 3.47Å; Q123-M208 HydrophobicContact CG-CB 4.1Å; Q123-M208 HydrophobicContact CG-CG 4.26Å; Q123-M208 WeakPolarHBondContact CG-O 2.99Å; Q123-M208 PolarHBondContact NE2-O 3.43Å; Q123-M208 PolarHBondContact OE1-O 3.22Å |
| 124 | K | 74.2 | Confident | 80.8 | Confident | 139 Ų | 139 | 72.3 Ų | 72.3 | 60% | 0.604 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -68.5 | -44.8 | 179.7 | -65.2 | -71.3 | -177.5 | 162.7 | 0 | 110.8 | I121 | I121-K124 PolarHBondContact O-N 2.69Å |
| 125 | V | 74.9 | Confident | 81 | Confident | 82 Ų | 82 | 70.2 Ų | 70.2 | 50% | 0.497 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -74.6 | -34.2 | 175.7 | -174.5 | 0 | 0 | 0 | 0 | 111.4 | I121 L128 A129 | I121-V125 PolarHBondContact O-N 3.26Å; V125-L128 PolarHBondContact O-N 2.76Å; V125-A129 VanDerWaalsContact O-CB 3.31Å; V125-A129 WeakPolarHBondContact O-CB 3.32Å; V125-A129 PolarHBondContact O-N 3.47Å |
| 126 | G | 75.8 | Confident | 81.2 | Confident | 21 Ų | 21 | 72.1 Ų | 72.1 | 22% | 0.216 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -70.3 | -39.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | F122 A129 A130 | F122-G126 WeakPolarHBondContact O-CA 3.36Å; F122-G126 PolarHBondContact O-N 2.85Å; G126-A129 PolarHBondContact O-N 3.41Å; G126-A130 WeakPolarHBondContact O-CB 3.18Å; G126-A130 PolarHBondContact O-N 3.47Å |
| 127 | K | 78 | Confident | 81.1 | Confident | 145 Ų | 145 | 73.3 Ų | 73.3 | 63% | 0.63 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -65 | -39.5 | 171.4 | -84.4 | 175 | 150.1 | 163 | 0 | 112.1 | Q123 T131 | Q123-K127 WeakPolarHBondContact O-CB 2.93Å; Q123-K127 WeakPolarHBondContact O-CG 3.21Å; Q123-K127 PolarHBondContact O-N 3.47Å; K127-T131 VanDerWaalsContact O-CB 3.31Å; K127-T131 WeakPolarHBondContact O-CB 3.39Å; K127-T131 PolarHBondContact O-N 2.81Å; K127-T131 PolarHBondContact O-OG1 2.87Å |
| 128 | L | 79.3 | Confident | 81.2 | Confident | 94 Ų | 94 | 76.9 Ų | 76.9 | 49% | 0.492 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -65.7 | -44.1 | 174 | -89.4 | 155.4 | 0 | 0 | 0 | 111.5 | F68 V125 T131 A132 | F68-L128 HydrophobicContact CE1-CD1 3.71Å; F68-L128 HydrophobicContact CZ-CD1 3.72Å; V125-L128 PolarHBondContact O-N 2.76Å; L128-T131 PolarHBondContact O-N 3.36Å; L128-A132 WeakPolarHBondContact O-CB 3.23Å; L128-A132 PolarHBondContact O-N 3.4Å |
| 129 | A | 81.5 | Confident | 81 | Confident | 50 Ų | 50 | 79.3 Ų | 79.3 | 41% | 0.413 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.3 | -45.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V125 G126 T131 A132 V133 | V125-A129 VanDerWaalsContact O-CB 3.31Å; V125-A129 WeakPolarHBondContact O-CB 3.32Å; V125-A129 PolarHBondContact O-N 3.47Å; G126-A129 PolarHBondContact O-N 3.41Å; A129-T131 VanDerWaalsContact C-N 3.3Å; A129-T131 PolarHBondContact O-N 3.26Å; A129-A132 PolarHBondContact O-N 3.22Å; A129-V133 WeakPolarHBondContact O-CB 3.18Å; A129-V133 VanDerWaalsContact O-CG2 3.26Å; A129-V133 WeakPolarHBondContact O-CG2 3.34Å; A129-V133 PolarHBondContact O-N 3.39Å |
| 130 | A | 82.1 | Confident | 80.8 | Confident | 64 Ų | 64 | 83.2 Ų | 83.2 | 53% | 0.529 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.5 | -36.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | G126 G134 | G126-A130 WeakPolarHBondContact O-CB 3.18Å; G126-A130 PolarHBondContact O-N 3.47Å; A130-G134 VanDerWaalsContact O-CA 3.32Å; A130-G134 WeakPolarHBondContact O-CA 3.45Å; A130-G134 PolarHBondContact O-N 2.96Å |
| 131 | T | 82.4 | Confident | 80.4 | Confident | 100 Ų | 100 | 84.2 Ų | 84.2 | 61% | 0.613 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -72.4 | -37.1 | 174.7 | -54.5 | 0 | 0 | 0 | 0 | 111.8 | K127 L128 A129 G135 | K127-T131 VanDerWaalsContact O-CB 3.31Å; K127-T131 WeakPolarHBondContact O-CB 3.39Å; K127-T131 PolarHBondContact O-N 2.81Å; K127-T131 PolarHBondContact O-OG1 2.87Å; L128-T131 PolarHBondContact O-N 3.36Å; A129-T131 VanDerWaalsContact C-N 3.3Å; A129-T131 PolarHBondContact O-N 3.26Å; T131-G135 VanDerWaalsContact O-CA 3.23Å; T131-G135 WeakPolarHBondContact O-CA 3.33Å; T131-G135 PolarHBondContact O-N 3.39Å |
| 132 | A | 88.4 | Confident | 79.9 | Confident | 69 Ų | 69 | 85.3 Ų | 85.3 | 57% | 0.57 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -67.1 | -45.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L128 A129 G136 | L128-A132 WeakPolarHBondContact O-CB 3.23Å; L128-A132 PolarHBondContact O-N 3.4Å; A129-A132 PolarHBondContact O-N 3.22Å; A132-G136 PolarHBondContact O-N 3.02Å |
| 133 | V | 86.2 | Confident | 79.2 | Confident | 110 Ų | 110 | 81.6 Ų | 81.6 | 67% | 0.667 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -70.8 | -46.7 | 177.9 | 176.3 | 0 | 0 | 0 | 0 | 110.7 | A129 F137 | A129-V133 WeakPolarHBondContact O-CB 3.18Å; A129-V133 VanDerWaalsContact O-CG2 3.26Å; A129-V133 WeakPolarHBondContact O-CG2 3.34Å; A129-V133 PolarHBondContact O-N 3.39Å; V133-F137 WeakPolarHBondContact O-CB 3.28Å; V133-F137 PolarHBondContact O-N 3.33Å |
| 134 | G | 84.3 | Confident | 78.6 | Confident | 35 Ų | 35 | 82.6 Ų | 82.6 | 36% | 0.361 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -69.6 | -38.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | A130 F137 F138 | A130-G134 VanDerWaalsContact O-CA 3.32Å; A130-G134 WeakPolarHBondContact O-CA 3.45Å; A130-G134 PolarHBondContact O-N 2.96Å; G134-F137 PolarHBondContact O-N 3.45Å; G134-F138 WeakPolarHBondContact O-CB 3.31Å; G134-F138 PolarHBondContact O-N 2.92Å |
| 135 | G | 87.4 | Confident | 77.8 | Confident | 29 Ų | 29 | 84.3 Ų | 84.3 | 30% | 0.299 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -70.9 | -40.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | T131 F137 F138 L139 | T131-G135 VanDerWaalsContact O-CA 3.23Å; T131-G135 WeakPolarHBondContact O-CA 3.33Å; T131-G135 PolarHBondContact O-N 3.39Å; G135-F137 VanDerWaalsContact C-N 3.33Å; G135-F138 PolarHBondContact O-N 2.95Å; G135-L139 WeakPolarHBondContact O-CB 3.2Å; G135-L139 WeakPolarHBondContact O-CG 3.26Å; G135-L139 PolarHBondContact O-N 3.47Å |
| 136 | G | 86.5 | Confident | 77 | Confident | 41 Ų | 41 | 85.8 Ų | 85.8 | 42% | 0.423 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.6 | -41.1 | 171 | 0 | 0 | 0 | 0 | 0 | 111.9 | A132 L140 | A132-G136 PolarHBondContact O-N 3.02Å; G136-L140 VanDerWaalsContact O-CB 3.29Å; G136-L140 WeakPolarHBondContact O-CB 3.4Å; G136-L140 PolarHBondContact O-N 2.79Å |
| 137 | F | 82.6 | Confident | 76 | Confident | 122 Ų | 122 | 88 Ų | 88 | 54% | 0.535 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.9 | -37.6 | 175.5 | -175.8 | -117.3 | 0 | 0 | 0 | 113 | V133 G134 G135 L140 Q141 | V133-F137 WeakPolarHBondContact O-CB 3.28Å; V133-F137 PolarHBondContact O-N 3.33Å; G134-F137 PolarHBondContact O-N 3.45Å; G135-F137 VanDerWaalsContact C-N 3.33Å; F137-L140 WeakPolarHBondContact O-CB 3.29Å; F137-L140 PolarHBondContact O-N 2.96Å; F137-Q141 VanDerWaalsContact CD1-NE2 3.28Å; F137-Q141 HydrophobicContact CZ-CG 4.48Å; F137-Q141 WeakPolarHBondContact O-CG 3.34Å; F137-Q141 PolarHBondContact O-N 3.42Å |
| 138 | F | 83.9 | Confident | 74.6 | Confident | 131 Ų | 131 | 91.2 Ų | 91.2 | 58% | 0.575 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -69.6 | -43.8 | 177.5 | -177.3 | -104.4 | 0 | 0 | 0 | 111.9 | G134 G135 L140 Q141 L142 | G134-F138 WeakPolarHBondContact O-CB 3.31Å; G134-F138 PolarHBondContact O-N 2.92Å; G135-F138 PolarHBondContact O-N 2.95Å; F138-L140 VanDerWaalsContact C-N 3.26Å; F138-L140 PolarHBondContact O-N 2.95Å; F138-Q141 PolarHBondContact O-N 2.96Å; F138-L142 WeakPolarHBondContact O-CB 3.24Å; F138-L142 PolarHBondContact O-N 3.38Å |
| 139 | L | 78.9 | Confident | 73.6 | Confident | 115 Ų | 115 | 92 Ų | 92 | 60% | 0.602 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.4 | -36.8 | 172 | -76.2 | 165.3 | 0 | 0 | 0 | 111.5 | G135 L142 A143 | G135-L139 WeakPolarHBondContact O-CB 3.2Å; G135-L139 WeakPolarHBondContact O-CG 3.26Å; G135-L139 PolarHBondContact O-N 3.47Å; L139-L142 PolarHBondContact O-N 2.62Å; L139-A143 WeakPolarHBondContact O-CB 3.41Å; L139-A143 PolarHBondContact O-N 3.09Å |
| 140 | L | 77.1 | Confident | 72.4 | Confident | 82 Ų | 82 | 98.3 Ų | 98.3 | 43% | 0.429 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.7 | -40.3 | 175.2 | -167.1 | 67 | 0 | 0 | 0 | 111.9 | G136 F137 F138 N144 V151 | G136-L140 VanDerWaalsContact O-CB 3.29Å; G136-L140 WeakPolarHBondContact O-CB 3.4Å; G136-L140 PolarHBondContact O-N 2.79Å; F137-L140 WeakPolarHBondContact O-CB 3.29Å; F137-L140 PolarHBondContact O-N 2.96Å; F138-L140 VanDerWaalsContact C-N 3.26Å; F138-L140 PolarHBondContact O-N 2.95Å; L140-N144 WeakPolarHBondContact O-CB 3.5Å; L140-N144 PolarHBondContact O-N 2.89Å; L140-N144 VanDerWaalsContact O-N 3.07Å; L140-V151 HydrophobicContact CD1-CG2 3.75Å; L140-V151 HydrophobicContact CD2-CG2 4.06Å; L140-V151 HydrophobicContact CG-CG2 3.71Å |
| 141 | Q | 70.3 | Confident | 71.3 | Confident | 102 Ų | 102 | 96.4 Ų | 96.4 | 48% | 0.477 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.6 | -43.2 | 174.1 | -75.4 | -172.7 | 61.6 | 0 | 0 | 112.2 | F137 F138 N144 H145 | F137-Q141 VanDerWaalsContact CD1-NE2 3.28Å; F137-Q141 HydrophobicContact CZ-CG 4.48Å; F137-Q141 WeakPolarHBondContact O-CG 3.34Å; F137-Q141 PolarHBondContact O-N 3.42Å; F138-Q141 PolarHBondContact O-N 2.96Å; Q141-N144 WeakPolarHBondContact O-CB 3.15Å; Q141-N144 PolarHBondContact O-N 3.18Å; Q141-H145 PolarHBondContact O-N 3.21Å |
| 142 | L | 68.8 | Low | 70.3 | Confident | 92 Ų | 92 | 95.7 Ų | 95.7 | 48% | 0.482 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.3 | -38 | 179.4 | -168.1 | 65.6 | 0 | 0 | 0 | 112.2 | F138 L139 N144 H145 T146 | F138-L142 WeakPolarHBondContact O-CB 3.24Å; F138-L142 PolarHBondContact O-N 3.38Å; L139-L142 PolarHBondContact O-N 2.62Å; L142-N144 VanDerWaalsContact C-N 3.32Å; L142-H145 PolarHBondContact O-N 2.99Å; L142-T146 PolarHBondContact O-N 2.8Å; L142-T146 PolarHBondContact O-OG1 2.81Å |
| 143 | A | 67.1 | Low | 69.1 | Low | 36 Ų | 36 | 101.2 Ų | 101.2 | 30% | 0.298 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66 | -34.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L139 G147 | L139-A143 WeakPolarHBondContact O-CB 3.41Å; L139-A143 PolarHBondContact O-N 3.09Å; A143-G147 PolarHBondContact O-N 3.31Å |
| 144 | N | 61.2 | Low | 68 | Low | 76 Ų | 76 | 102.5 Ų | 102.5 | 41% | 0.406 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -68.7 | -38.6 | 174.9 | -116.2 | -16.3 | 0 | 0 | 0 | 112.2 | L140 Q141 L142 I149 V151 | L140-N144 WeakPolarHBondContact O-CB 3.5Å; L140-N144 PolarHBondContact O-N 2.89Å; L140-N144 VanDerWaalsContact O-N 3.07Å; Q141-N144 WeakPolarHBondContact O-CB 3.15Å; Q141-N144 PolarHBondContact O-N 3.18Å; L142-N144 VanDerWaalsContact C-N 3.32Å; N144-I149 PolarHBondContact OD1-O 2.92Å; N144-V151 WeakPolarHBondContact ND2-CG2 3.31Å; N144-V151 PolarHBondContact OD1-N 3.38Å |
| 145 | H | 57.3 | Low | 67.2 | Low | 174 Ų | 174 | 109.2 Ų | 109.2 | 81% | 0.806 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -78.7 | -20.1 | -178.7 | -161.2 | -81.2 | 0 | 0 | 0 | 113.5 | Q141 L142 | Q141-H145 PolarHBondContact O-N 3.21Å; L142-H145 PolarHBondContact O-N 2.99Å |
| 146 | T | 58.4 | Low | 66.3 | Low | 113 Ų | 113 | 111.3 Ų | 111.3 | 69% | 0.693 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | -1.5 | -179.7 | -41.5 | 0 | 0 | 0 | 0 | 112.9 | L142 | L142-T146 PolarHBondContact O-N 2.8Å; L142-T146 PolarHBondContact O-OG1 2.81Å |
| 147 | G | 54 | Low | 65.6 | Low | 69 Ų | 69 | 114 Ų | 114 | 71% | 0.711 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 85.4 | 18 | 164.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | A143 | A143-G147 PolarHBondContact O-N 3.31Š|
| 148 | Y | 48.8 | Very low | 65.5 | Low | 212 Ų | 212 | 114.2 Ų | 114.2 | 83% | 0.831 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -96 | -25.6 | -176.9 | -152.3 | -105.3 | 0 | 0 | 0 | 114.7 | ||
| 149 | I | 57.9 | Low | 65.2 | Low | 109 Ų | 109 | 112.8 Ų | 112.8 | 56% | 0.559 | 56% | 0.556 | S | S | * | * | trans | -148.1 | 106.8 | -179.8 | -55.2 | 174.9 | 0 | 0 | 0 | 109.7 | N144 V151 | N144-I149 PolarHBondContact OD1-O 2.92Å; I149-V151 PolarHBondContact O-N 3.33Å; I149-V151 VanDerWaalsContact O-N 3.14Å | ||
| 150 | K | 55.9 | Low | 64.7 | Low | 183 Ų | 183 | 113.1 Ų | 113.1 | 80% | 0.796 | 56% | 0.556 | S | S | * | * | trans | -52.9 | 120.1 | 161.1 | -93.6 | -177 | 174 | 172 | 0 | 107.2 | D152 | K150-D152 VanDerWaalsContact C-N 3.28Å; K150-D152 PolarHBondContact O-N 3.02Å | ||
| 151 | V | 58.8 | Low | 64.9 | Low | 25 Ų | 25 | 114.4 Ų | 114.4 | 15% | 0.152 | 56% | 0.559 | C | S | . | * | trans | -58.4 | 98.7 | 166.5 | 172.3 | 0 | 0 | 0 | 0 | 107.3 | L140 N144 I149 W153 | L140-V151 HydrophobicContact CD1-CG2 3.75Å; L140-V151 HydrophobicContact CD2-CG2 4.06Å; L140-V151 HydrophobicContact CG-CG2 3.71Å; N144-V151 WeakPolarHBondContact ND2-CG2 3.31Å; N144-V151 PolarHBondContact OD1-N 3.38Å; I149-V151 PolarHBondContact O-N 3.33Å; I149-V151 VanDerWaalsContact O-N 3.14Å; V151-W153 HydrophobicContact CG1-CD2 4.04Å; V151-W153 HydrophobicContact CG1-CG 4.25Å; V151-W153 HydrophobicContact CG1-CZ2 4.13Å; V151-W153 PolarHBondContact O-N 3.17Å | ||
| 152 | D | 61.6 | Low | 65.4 | Low | 84 Ų | 84 | 116.3 Ų | 116.3 | 45% | 0.449 | 57% | 0.565 | S | S | . | * | trans | -67.4 | 80.1 | 175.4 | -94.8 | -36.8 | 0 | 0 | 0 | 108.1 | K150 Q154 R155 V156 | K150-D152 VanDerWaalsContact C-N 3.28Å; K150-D152 PolarHBondContact O-N 3.02Å; D152-Q154 PolarHBondContact O-N 3.32Å; D152-R155 HydrophobicContact CB-CB 4.16Å; D152-R155 HydrophobicContact CB-CG 4.19Å; D152-R155 PolarHBondContact O-N 3.26Å; D152-V156 PolarHBondContact O-N 2.69Å; D152-V156 VanDerWaalsContact O-N 3.16Å | ||
| 153 | W | 64.8 | Low | 65.8 | Low | 185 Ų | 185 | 114.5 Ų | 114.5 | 70% | 0.701 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -53.4 | -23.1 | 168.4 | -69 | 104 | 0 | 0 | 0 | 111.3 | V151 E157 | V151-W153 HydrophobicContact CG1-CD2 4.04Å; V151-W153 HydrophobicContact CG1-CG 4.25Å; V151-W153 HydrophobicContact CG1-CZ2 4.13Å; V151-W153 PolarHBondContact O-N 3.17Å; W153-E157 WeakPolarHBondContact O-CB 3.44Å; W153-E157 PolarHBondContact O-N 2.78Å |
| 154 | Q | 62.5 | Low | 66.2 | Low | 137 Ų | 137 | 119 Ų | 119 | 64% | 0.64 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -67.1 | -35.6 | 171.2 | -72.7 | -137.1 | -69.5 | 0 | 0 | 114 | D152 K158 | D152-Q154 PolarHBondContact O-N 3.32Å; Q154-K158 VanDerWaalsContact O-CB 3.27Å; Q154-K158 WeakPolarHBondContact O-CB 3.19Å; Q154-K158 WeakPolarHBondContact O-CD 3.38Å; Q154-K158 WeakPolarHBondContact O-CG 3.43Å; Q154-K158 PolarHBondContact O-N 2.76Å; Q154-K158 VanDerWaalsContact O-N 3.09Å |
| 155 | R | 67.4 | Low | 67 | Low | 177 Ų | 177 | 121.2 Ų | 121.2 | 67% | 0.668 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -75.3 | -46 | 174.2 | -77.7 | -176.5 | 178.4 | -161.8 | 0.4 | 110.4 | D152 E157 K158 D159 | D152-R155 HydrophobicContact CB-CB 4.16Å; D152-R155 HydrophobicContact CB-CG 4.19Å; D152-R155 PolarHBondContact O-N 3.26Å; R155-E157 VanDerWaalsContact C-N 3.33Å; R155-E157 PolarHBondContact O-N 2.71Å; R155-K158 CarbonylContact O-C 3.57Å; R155-K158 WeakPolarHBondContact O-CB 3.11Å; R155-K158 PolarHBondContact O-N 3.47Å; R155-K158 VanDerWaalsContact O-N 3.09Å; R155-D159 WeakPolarHBondContact O-CB 3.24Å; R155-D159 VanDerWaalsContact O-CG 3.32Å; R155-D159 PolarHBondContact O-N 3.37Å |
| 156 | V | 68.2 | Low | 67.4 | Low | 72 Ų | 72 | 119.3 Ų | 119.3 | 44% | 0.436 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -59.4 | -43 | 176.6 | 179.1 | 0 | 0 | 0 | 0 | 111.4 | D152 D159 M160 | D152-V156 PolarHBondContact O-N 2.69Å; D152-V156 VanDerWaalsContact O-N 3.16Å; V156-D159 PolarHBondContact O-N 2.8Å; V156-M160 WeakPolarHBondContact O-CB 3.42Å; V156-M160 PolarHBondContact O-N 3.49Å |
| 157 | E | 73 | Confident | 67.7 | Low | 98 Ų | 98 | 118.5 Ų | 118.5 | 46% | 0.458 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -69.7 | -36 | 176.1 | -177.7 | 161.5 | 109.5 | 0 | 0 | 112.1 | W153 R155 K161 | W153-E157 WeakPolarHBondContact O-CB 3.44Å; W153-E157 PolarHBondContact O-N 2.78Å; R155-E157 VanDerWaalsContact C-N 3.33Å; R155-E157 PolarHBondContact O-N 2.71Å; E157-K161 HydrophobicContact CG-CD 4.11Å; E157-K161 HydrophobicContact CG-CG 4.23Å; E157-K161 WeakPolarHBondContact O-CB 3.36Å; E157-K161 VanDerWaalsContact O-CG 3.31Å; E157-K161 WeakPolarHBondContact O-CG 3.48Å; E157-K161 PolarHBondContact O-N 3.23Å; E157-K161 WeakPolarHBondContact OE1-CE 3.09Å; E157-K161 IonicContact OE1-NZ 2.83Å; E157-K161 PolarHBondContact OE1-NZ 3.42Å |
| 158 | K | 80.3 | Confident | 68.1 | Low | 127 Ų | 127 | 121 Ų | 121 | 55% | 0.552 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.3 | -40.7 | 172.9 | -80.4 | 173 | -175.4 | 178.1 | 0 | 111.5 | Q154 R155 K162 | Q154-K158 VanDerWaalsContact O-CB 3.27Å; Q154-K158 WeakPolarHBondContact O-CB 3.19Å; Q154-K158 WeakPolarHBondContact O-CD 3.38Å; Q154-K158 WeakPolarHBondContact O-CG 3.43Å; Q154-K158 PolarHBondContact O-N 2.76Å; Q154-K158 VanDerWaalsContact O-N 3.09Å; R155-K158 CarbonylContact O-C 3.57Å; R155-K158 WeakPolarHBondContact O-CB 3.11Å; R155-K158 PolarHBondContact O-N 3.47Å; R155-K158 VanDerWaalsContact O-N 3.09Å; K158-K162 VanDerWaalsContact O-CB 3.31Å; K158-K162 WeakPolarHBondContact O-CB 3.18Å; K158-K162 VanDerWaalsContact O-CG 3.29Å; K158-K162 WeakPolarHBondContact O-CG 3.25Å; K158-K162 PolarHBondContact O-N 3.25Å |
| 159 | D | 77.3 | Confident | 68.6 | Low | 101 Ų | 101 | 116.4 Ų | 116.4 | 54% | 0.54 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -72.8 | -38.5 | 178.2 | -67.1 | -32.7 | 0 | 0 | 0 | 111.3 | R155 V156 K162 A163 | R155-D159 WeakPolarHBondContact O-CB 3.24Å; R155-D159 VanDerWaalsContact O-CG 3.32Å; R155-D159 PolarHBondContact O-N 3.37Å; V156-D159 PolarHBondContact O-N 2.8Å; D159-K162 PolarHBondContact O-N 3.47Å; D159-A163 WeakPolarHBondContact O-CB 3.47Å; D159-A163 PolarHBondContact O-N 2.88Å |
| 160 | M | 68.9 | Low | 68.3 | Low | 121 Ų | 121 | 115.2 Ų | 115.2 | 60% | 0.596 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -70 | -37.5 | 174.8 | -164.2 | 175.7 | 72.9 | 0 | 0 | 111.5 | V156 K164 | V156-M160 WeakPolarHBondContact O-CB 3.42Å; V156-M160 PolarHBondContact O-N 3.49Å; M160-K164 WeakPolarHBondContact O-CA 3.48Å; M160-K164 WeakPolarHBondContact O-CB 3.41Å; M160-K164 PolarHBondContact O-N 2.78Å |
| 161 | K | 80.9 | Confident | 68.2 | Low | 110 Ų | 110 | 112.3 Ų | 112.3 | 48% | 0.478 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.7 | -47.8 | 172.5 | -79.9 | -178.1 | -173.2 | 163.9 | 0 | 110.6 | E157 A163 K164 E165 | E157-K161 HydrophobicContact CG-CD 4.11Å; E157-K161 HydrophobicContact CG-CG 4.23Å; E157-K161 WeakPolarHBondContact O-CB 3.36Å; E157-K161 VanDerWaalsContact O-CG 3.31Å; E157-K161 WeakPolarHBondContact O-CG 3.48Å; E157-K161 PolarHBondContact O-N 3.23Å; E157-K161 WeakPolarHBondContact OE1-CE 3.09Å; E157-K161 IonicContact OE1-NZ 2.83Å; E157-K161 PolarHBondContact OE1-NZ 3.42Å; K161-A163 PolarHBondContact O-N 3.07Å; K161-K164 CarbonylContact O-C 3.57Å; K161-K164 PolarHBondContact O-N 3.35Å; K161-E165 WeakPolarHBondContact O-CB 3.45Å; K161-E165 PolarHBondContact O-N 2.86Å |
| 162 | K | 81.3 | Confident | 68 | Low | 141 Ų | 141 | 118.2 Ų | 118.2 | 61% | 0.613 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -58.7 | -45.7 | 174.7 | -78.9 | -178.6 | 178 | -176.4 | 0 | 111.9 | K158 D159 E165 Q166 | K158-K162 VanDerWaalsContact O-CB 3.31Å; K158-K162 WeakPolarHBondContact O-CB 3.18Å; K158-K162 VanDerWaalsContact O-CG 3.29Å; K158-K162 WeakPolarHBondContact O-CG 3.25Å; K158-K162 PolarHBondContact O-N 3.25Å; D159-K162 PolarHBondContact O-N 3.47Å; K162-E165 PolarHBondContact O-N 2.83Å; K162-Q166 WeakPolarHBondContact O-CB 3.33Å; K162-Q166 WeakPolarHBondContact O-CG 3.39Å; K162-Q166 PolarHBondContact O-N 2.78Å |
| 163 | A | 77.1 | Confident | 67.6 | Low | 55 Ų | 55 | 121 Ų | 121 | 46% | 0.455 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.1 | -41.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | D159 K161 E165 Q166 L167 | D159-A163 WeakPolarHBondContact O-CB 3.47Å; D159-A163 PolarHBondContact O-N 2.88Å; K161-A163 PolarHBondContact O-N 3.07Å; A163-E165 VanDerWaalsContact C-N 3.33Å; A163-Q166 PolarHBondContact O-N 3.05Å; A163-L167 WeakPolarHBondContact O-CB 3.22Å; A163-L167 PolarHBondContact O-N 3.38Å |
| 164 | K | 75.1 | Confident | 66.9 | Low | 129 Ų | 129 | 118.3 Ų | 118.3 | 56% | 0.561 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -68.2 | -33.1 | 176.3 | -167.9 | -177.4 | -172.1 | -169.8 | 0 | 111.7 | M160 K161 K168 | M160-K164 WeakPolarHBondContact O-CA 3.48Å; M160-K164 WeakPolarHBondContact O-CB 3.41Å; M160-K164 PolarHBondContact O-N 2.78Å; K161-K164 CarbonylContact O-C 3.57Å; K161-K164 PolarHBondContact O-N 3.35Å; K164-K168 WeakPolarHBondContact O-CB 3.24Å; K164-K168 WeakPolarHBondContact O-CG 3.11Å; K164-K168 PolarHBondContact O-N 2.74Å |
| 165 | E | 77.6 | Confident | 66.4 | Low | 123 Ų | 123 | 116.3 Ų | 116.3 | 58% | 0.575 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -71.9 | -44.7 | 175.1 | -128.2 | 164 | 91.4 | 0 | 0 | 111 | K161 K162 A163 L167 K168 I169 | K161-E165 WeakPolarHBondContact O-CB 3.45Å; K161-E165 PolarHBondContact O-N 2.86Å; K162-E165 PolarHBondContact O-N 2.83Å; A163-E165 VanDerWaalsContact C-N 3.33Å; E165-L167 VanDerWaalsContact C-N 3.3Å; E165-L167 PolarHBondContact O-N 3.3Å; E165-K168 CarbonylContact O-C 3.58Å; E165-K168 PolarHBondContact O-N 2.68Å; E165-K168 VanDerWaalsContact O-N 3.17Å; E165-I169 WeakPolarHBondContact O-CB 3.35Å; E165-I169 WeakPolarHBondContact O-CD1 3.42Å; E165-I169 WeakPolarHBondContact O-CG1 3.48Å; E165-I169 PolarHBondContact O-N 3.33Å |
| 166 | Q | 65.7 | Low | 65.6 | Low | 135 Ų | 135 | 109.6 Ų | 109.6 | 63% | 0.631 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -58.4 | -43.9 | 172.2 | -65.5 | -97.4 | -4 | 0 | 0 | 110.7 | K162 A163 I169 C170 | K162-Q166 WeakPolarHBondContact O-CB 3.33Å; K162-Q166 WeakPolarHBondContact O-CG 3.39Å; K162-Q166 PolarHBondContact O-N 2.78Å; A163-Q166 PolarHBondContact O-N 3.05Å; Q166-I169 PolarHBondContact O-N 3.27Å; Q166-C170 WeakPolarHBondContact O-CB 3.45Å; Q166-C170 PolarHBondContact O-N 3.32Å; Q166-C170 PolarHBondContact O-SG 3.34Å |
| 167 | L | 64.6 | Low | 64.8 | Low | 95 Ų | 95 | 112 Ų | 112 | 50% | 0.497 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -73.1 | -29.7 | 178.5 | -153.9 | 156 | 0 | 0 | 0 | 111.8 | A163 E165 K171 | A163-L167 WeakPolarHBondContact O-CB 3.22Å; A163-L167 PolarHBondContact O-N 3.38Å; E165-L167 VanDerWaalsContact C-N 3.3Å; E165-L167 PolarHBondContact O-N 3.3Å; L167-K171 HydrophobicContact CD2-CD 3.55Å; L167-K171 HydrophobicContact CD2-CG 4Å; L167-K171 WeakPolarHBondContact O-CB 3.5Å; L167-K171 WeakPolarHBondContact O-CG 3.5Å; L167-K171 PolarHBondContact O-N 2.76Å |
| 168 | K | 62.7 | Low | 63.9 | Low | 122 Ų | 122 | 114 Ų | 114 | 53% | 0.53 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -71.3 | -37.7 | 170.7 | -86 | 177.2 | 175 | -171.1 | 0 | 112.2 | K164 E165 C170 K171 N172 | K164-K168 WeakPolarHBondContact O-CB 3.24Å; K164-K168 WeakPolarHBondContact O-CG 3.11Å; K164-K168 PolarHBondContact O-N 2.74Å; E165-K168 CarbonylContact O-C 3.58Å; E165-K168 PolarHBondContact O-N 2.68Å; E165-K168 VanDerWaalsContact O-N 3.17Å; K168-C170 VanDerWaalsContact C-N 3.34Å; K168-K171 CarbonylContact O-C 3.57Å; K168-K171 PolarHBondContact O-N 3.28Å; K168-N172 WeakPolarHBondContact O-CB 3.45Å; K168-N172 PolarHBondContact O-N 3.46Å |
| 169 | I | 58.4 | Low | 62.9 | Low | 115 Ų | 115 | 111.9 Ų | 111.9 | 59% | 0.59 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -67.8 | -39.7 | 175.4 | -66.9 | 162 | 0 | 0 | 0 | 109.4 | E165 Q166 N172 D173 | E165-I169 WeakPolarHBondContact O-CB 3.35Å; E165-I169 WeakPolarHBondContact O-CD1 3.42Å; E165-I169 WeakPolarHBondContact O-CG1 3.48Å; E165-I169 PolarHBondContact O-N 3.33Å; Q166-I169 PolarHBondContact O-N 3.27Å; I169-N172 PolarHBondContact O-N 2.95Å; I169-D173 PolarHBondContact O-N 2.94Å |
| 170 | C | 52.3 | Low | 62 | Low | 85 Ų | 85 | 113.4 Ų | 113.4 | 57% | 0.574 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -68.7 | -33 | 171.1 | -64.7 | 0 | 0 | 0 | 0 | 113.5 | Q166 K168 Q174 | Q166-C170 WeakPolarHBondContact O-CB 3.45Å; Q166-C170 PolarHBondContact O-N 3.32Å; Q166-C170 PolarHBondContact O-SG 3.34Å; K168-C170 VanDerWaalsContact C-N 3.34Å; C170-Q174 WeakPolarHBondContact O-CB 3.36Å; C170-Q174 PolarHBondContact O-N 3.22Å |
| 171 | K | 53.8 | Low | 61.7 | Low | 122 Ų | 122 | 110.5 Ų | 110.5 | 53% | 0.53 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -78.8 | -28.1 | 174.2 | -85.6 | 177.9 | 173.1 | 167.2 | 0 | 113.2 | L167 K168 Q174 I175 | L167-K171 HydrophobicContact CD2-CD 3.55Å; L167-K171 HydrophobicContact CD2-CG 4Å; L167-K171 WeakPolarHBondContact O-CB 3.5Å; L167-K171 WeakPolarHBondContact O-CG 3.5Å; L167-K171 PolarHBondContact O-N 2.76Å; K168-K171 CarbonylContact O-C 3.57Å; K168-K171 PolarHBondContact O-N 3.28Å; K171-Q174 CarbonylContact O-C 3.53Å; K171-Q174 VanDerWaalsContact O-C 3.29Å; K171-I175 WeakPolarHBondContact O-CG1 3.49Å; K171-I175 PolarHBondContact O-N 3.47Å |
| 172 | N | 53.8 | Low | 60.8 | Low | 148 Ų | 148 | 110.3 Ų | 110.3 | 79% | 0.791 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -78 | -36.5 | -176.9 | -164.3 | -79.2 | 0 | 0 | 0 | 111.2 | K168 I169 Q174 | K168-N172 WeakPolarHBondContact O-CB 3.45Å; K168-N172 PolarHBondContact O-N 3.46Å; I169-N172 PolarHBondContact O-N 2.95Å; N172-Q174 VanDerWaalsContact C-N 3.34Å |
| 173 | D | 54.8 | Low | 60.1 | Low | 143 Ų | 143 | 106.1 Ų | 106.1 | 77% | 0.765 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -84.4 | -11.7 | 173.6 | -152.8 | -111.5 | 0 | 0 | 0 | 112.7 | I169 | I169-D173 PolarHBondContact O-N 2.94Š|
| 174 | Q | 49.2 | Very low | 59.7 | Low | 128 Ų | 128 | 110.3 Ų | 110.3 | 60% | 0.598 | 56% | 0.564 | S | S | * | * | trans | -153.7 | 63 | -173.3 | -118.7 | -174 | 89.9 | 0 | 0 | 111.4 | C170 K171 N172 P176 | C170-Q174 WeakPolarHBondContact O-CB 3.36Å; C170-Q174 PolarHBondContact O-N 3.22Å; K171-Q174 CarbonylContact O-C 3.53Å; K171-Q174 VanDerWaalsContact O-C 3.29Å; N172-Q174 VanDerWaalsContact C-N 3.34Å; Q174-P176 HydrophobicContact CG-CB 4.47Å; Q174-P176 HydrophobicContact CG-CG 4.39Å; Q174-P176 WeakPolarHBondContact O-CD 3.1Å | ||
| 175 | I | 52.1 | Low | 59.4 | Low | 95 Ų | 95 | 107.7 Ų | 107.7 | 49% | 0.487 | 55% | 0.554 | S | S | . | * | trans | -85.8 | 82.6 | 133.3 | -64.5 | 166.2 | 0 | 0 | 0 | 101.7 | K171 T177 V179 K180 | K171-I175 WeakPolarHBondContact O-CG1 3.49Å; K171-I175 PolarHBondContact O-N 3.47Å; I175-T177 PolarHBondContact O-N 3.46Å; I175-V179 HydrophobicContact CG2-CG2 4.49Å; I175-K180 HydrophobicContact CG2-CD 4.28Å; I175-K180 HydrophobicContact CG2-CG 4.09Å | ||
| 176 | P | 50.1 | Low | 58.9 | Low | 37 Ų | 37 | 106 Ų | 106 | 24% | 0.24 | 55% | 0.552 | C | S | . | * | trans | -58.3 | 123.9 | 175.2 | 28 | -32.9 | 0 | 0 | 0 | 103.9 | Q174 E178 V179 | Q174-P176 HydrophobicContact CG-CB 4.47Å; Q174-P176 HydrophobicContact CG-CG 4.39Å; Q174-P176 WeakPolarHBondContact O-CD 3.1Å; P176-E178 HydrophobicContact CB-CB 3.86Å; P176-E178 HydrophobicContact CG-CB 4.45Å; P176-E178 CarbonylContact O-C 3.54Å; P176-E178 PolarHBondContact O-N 3.49Å; P176-V179 HydrophobicContact CG-CB 4.24Å; P176-V179 HydrophobicContact CG-CG1 3.79Å; P176-V179 HydrophobicContact CG-CG2 3.82Å; P176-V179 WeakPolarHBondContact O-CG2 3.31Å; P176-V179 PolarHBondContact O-N 2.76Å | ||
| 177 | T | 52.5 | Low | 59.1 | Low | 121 Ų | 121 | 103.4 Ų | 103.4 | 74% | 0.742 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -47.7 | -22.7 | 172.4 | -38.1 | 0 | 0 | 0 | 0 | 110.3 | I175 K180 S181 | I175-T177 PolarHBondContact O-N 3.46Å; T177-K180 PolarHBondContact O-N 2.81Å; T177-S181 VanDerWaalsContact O-CB 3.28Å; T177-S181 WeakPolarHBondContact O-CB 3.13Å; T177-S181 PolarHBondContact O-N 3.32Å |
| 178 | E | 52.7 | Low | 59.1 | Low | 140 Ų | 140 | 100.8 Ų | 100.8 | 65% | 0.654 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -53.4 | -47.1 | 163.9 | -130.8 | 162 | 126.7 | 0 | 0 | 116.5 | P176 S181 K182 | P176-E178 HydrophobicContact CB-CB 3.86Å; P176-E178 HydrophobicContact CG-CB 4.45Å; P176-E178 CarbonylContact O-C 3.54Å; P176-E178 PolarHBondContact O-N 3.49Å; E178-S181 WeakPolarHBondContact O-CB 3.33Å; E178-S181 PolarHBondContact O-N 3.38Å; E178-K182 WeakPolarHBondContact O-CB 3.33Å; E178-K182 WeakPolarHBondContact O-CG 3.44Å; E178-K182 PolarHBondContact O-N 2.75Å |
| 179 | V | 59.6 | Low | 59.2 | Low | 84 Ų | 84 | 100.6 Ų | 100.6 | 51% | 0.509 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -73.7 | -29.2 | 177.8 | -68.7 | 0 | 0 | 0 | 0 | 112.6 | I175 P176 A183 | I175-V179 HydrophobicContact CG2-CG2 4.49Å; P176-V179 HydrophobicContact CG-CB 4.24Å; P176-V179 HydrophobicContact CG-CG1 3.79Å; P176-V179 HydrophobicContact CG-CG2 3.82Å; P176-V179 WeakPolarHBondContact O-CG2 3.31Å; P176-V179 PolarHBondContact O-N 2.76Å; V179-A183 WeakPolarHBondContact O-CB 3.39Å; V179-A183 PolarHBondContact O-N 3.48Å |
| 180 | K | 59.7 | Low | 59.7 | Low | 133 Ų | 133 | 97.7 Ų | 97.7 | 58% | 0.578 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -67.5 | -44.7 | 169.3 | -77.5 | -165.6 | 173.4 | -173.9 | 0 | 110.6 | I175 T177 K182 A183 E184 | I175-K180 HydrophobicContact CG2-CD 4.28Å; I175-K180 HydrophobicContact CG2-CG 4.09Å; T177-K180 PolarHBondContact O-N 2.81Å; K180-K182 PolarHBondContact O-N 3.38Å; K180-A183 PolarHBondContact O-N 2.81Å; K180-E184 WeakPolarHBondContact O-CB 3.31Å; K180-E184 WeakPolarHBondContact O-CG 3.27Å; K180-E184 PolarHBondContact O-N 2.79Å |
| 181 | S | 62.7 | Low | 60.6 | Low | 60 Ų | 60 | 101.7 Ų | 101.7 | 42% | 0.42 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.9 | -42.8 | 174.1 | 170 | 0 | 0 | 0 | 0 | 112.1 | T177 E178 E184 E185 | T177-S181 VanDerWaalsContact O-CB 3.28Å; T177-S181 WeakPolarHBondContact O-CB 3.13Å; T177-S181 PolarHBondContact O-N 3.32Å; E178-S181 WeakPolarHBondContact O-CB 3.33Å; E178-S181 PolarHBondContact O-N 3.38Å; S181-E184 PolarHBondContact O-N 3.02Å; S181-E185 VanDerWaalsContact O-CB 3.24Å; S181-E185 WeakPolarHBondContact O-CB 3.37Å; S181-E185 PolarHBondContact O-N 2.97Å |
| 182 | K | 60.7 | Low | 61.1 | Low | 106 Ų | 106 | 103.9 Ų | 103.9 | 46% | 0.461 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -70.5 | -35.7 | 176.9 | -66.6 | -73.7 | 154.3 | -158.2 | 0 | 111.8 | E178 K180 E185 V186 | E178-K182 WeakPolarHBondContact O-CB 3.33Å; E178-K182 WeakPolarHBondContact O-CG 3.44Å; E178-K182 PolarHBondContact O-N 2.75Å; K180-K182 PolarHBondContact O-N 3.38Å; K182-E185 IonicContact NZ-OE2 2.74Å; K182-E185 PolarHBondContact NZ-OE2 2.94Å; K182-E185 PolarHBondContact O-N 3.42Å; K182-V186 WeakPolarHBondContact O-CB 3.29Å; K182-V186 WeakPolarHBondContact O-CG2 3.45Å; K182-V186 PolarHBondContact O-N 2.68Å |
| 183 | A | 66.5 | Low | 61.6 | Low | 53 Ų | 53 | 98.8 Ų | 98.8 | 44% | 0.438 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.8 | -41.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V179 K180 E185 V186 V187 | V179-A183 WeakPolarHBondContact O-CB 3.39Å; V179-A183 PolarHBondContact O-N 3.48Å; K180-A183 PolarHBondContact O-N 2.81Å; A183-E185 VanDerWaalsContact C-N 3.33Å; A183-V186 PolarHBondContact O-N 3.23Å; A183-V187 WeakPolarHBondContact O-CB 3.28Å; A183-V187 WeakPolarHBondContact O-CG2 3.44Å; A183-V187 PolarHBondContact O-N 2.79Å |
| 184 | E | 69.9 | Low | 62.2 | Low | 143 Ų | 143 | 96.6 Ų | 96.6 | 67% | 0.668 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.8 | -38.7 | 172.8 | -74.9 | -177.7 | 158.1 | 0 | 0 | 111.5 | K180 S181 V187 S188 | K180-E184 WeakPolarHBondContact O-CB 3.31Å; K180-E184 WeakPolarHBondContact O-CG 3.27Å; K180-E184 PolarHBondContact O-N 2.79Å; S181-E184 PolarHBondContact O-N 3.02Å; E184-V187 PolarHBondContact O-N 3.11Å; E184-S188 VanDerWaalsContact O-CB 3.22Å; E184-S188 WeakPolarHBondContact O-CB 3.11Å; E184-S188 PolarHBondContact O-N 2.91Å; E184-S188 PolarHBondContact O-OG 3.23Å |
| 185 | E | 67.5 | Low | 62.7 | Low | 74 Ų | 74 | 95.5 Ų | 95.5 | 35% | 0.346 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.3 | -48 | 173.5 | -169.3 | 180 | 174.4 | 0 | 0 | 110.5 | S181 K182 A183 V187 S188 F189 | S181-E185 VanDerWaalsContact O-CB 3.24Å; S181-E185 WeakPolarHBondContact O-CB 3.37Å; S181-E185 PolarHBondContact O-N 2.97Å; K182-E185 IonicContact NZ-OE2 2.74Å; K182-E185 PolarHBondContact NZ-OE2 2.94Å; K182-E185 PolarHBondContact O-N 3.42Å; A183-E185 VanDerWaalsContact C-N 3.33Å; E185-V187 PolarHBondContact O-N 2.91Å; E185-S188 WeakPolarHBondContact CA-OG 3.08Å; E185-S188 CarbonylContact O-C 3.59Å; E185-S188 WeakPolarHBondContact O-CA 3.43Å; E185-S188 WeakPolarHBondContact O-CB 3.15Å; E185-S188 PolarHBondContact O-N 3.47Å; E185-S188 VanDerWaalsContact O-N 3.13Å; E185-S188 PolarHBondContact O-OG 3.49Å; E185-F189 HydrophobicContact CG-CD2 3.94Å; E185-F189 HydrophobicContact CG-CE2 4.02Å; E185-F189 WeakPolarHBondContact O-CB 3.17Å; E185-F189 WeakPolarHBondContact O-CD2 3.27Å; E185-F189 PolarHBondContact O-N 2.96Å |
| 186 | V | 67.4 | Low | 63.4 | Low | 88 Ų | 88 | 92 Ų | 92 | 53% | 0.533 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.1 | -45.3 | 175.9 | 171.2 | 0 | 0 | 0 | 0 | 110.7 | K182 A183 S188 F189 V190 | K182-V186 WeakPolarHBondContact O-CB 3.29Å; K182-V186 WeakPolarHBondContact O-CG2 3.45Å; K182-V186 PolarHBondContact O-N 2.68Å; A183-V186 PolarHBondContact O-N 3.23Å; V186-S188 VanDerWaalsContact C-N 3.29Å; V186-S188 PolarHBondContact O-N 3.02Å; V186-F189 CarbonylContact O-C 3.29Å; V186-F189 WeakPolarHBondContact O-CB 2.77Å; V186-F189 PolarHBondContact O-N 3.37Å; V186-F189 VanDerWaalsContact O-N 3.13Å; V186-V190 HydrophobicContact CG1-CG2 4.42Å; V186-V190 VanDerWaalsContact O-CG2 3.24Å; V186-V190 WeakPolarHBondContact O-CG2 3.38Å; V186-V190 PolarHBondContact O-N 2.83Å |
| 187 | V | 69.7 | Low | 64.5 | Low | 80 Ų | 80 | 91.8 Ų | 91.8 | 49% | 0.485 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.9 | -38.1 | 175.2 | 169.6 | 0 | 0 | 0 | 0 | 110.9 | A183 E184 E185 F189 V190 K191 | A183-V187 WeakPolarHBondContact O-CB 3.28Å; A183-V187 WeakPolarHBondContact O-CG2 3.44Å; A183-V187 PolarHBondContact O-N 2.79Å; E184-V187 PolarHBondContact O-N 3.11Å; E185-V187 PolarHBondContact O-N 2.91Å; V187-F189 VanDerWaalsContact C-N 3.35Å; V187-V190 PolarHBondContact O-N 2.87Å; V187-K191 WeakPolarHBondContact O-CB 3.5Å; V187-K191 WeakPolarHBondContact O-CG 3.38Å; V187-K191 PolarHBondContact O-N 3.01Å |
| 188 | S | 65.8 | Low | 65.9 | Low | 40 Ų | 40 | 87.9 Ų | 87.9 | 28% | 0.28 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -68.6 | -34.1 | 174.7 | 83.8 | 0 | 0 | 0 | 0 | 112 | E184 E185 V186 K191 K192 | E184-S188 VanDerWaalsContact O-CB 3.22Å; E184-S188 WeakPolarHBondContact O-CB 3.11Å; E184-S188 PolarHBondContact O-N 2.91Å; E184-S188 PolarHBondContact O-OG 3.23Å; E185-S188 WeakPolarHBondContact CA-OG 3.08Å; E185-S188 CarbonylContact O-C 3.59Å; E185-S188 WeakPolarHBondContact O-CA 3.43Å; E185-S188 WeakPolarHBondContact O-CB 3.15Å; E185-S188 PolarHBondContact O-N 3.47Å; E185-S188 VanDerWaalsContact O-N 3.13Å; E185-S188 PolarHBondContact O-OG 3.49Å; V186-S188 VanDerWaalsContact C-N 3.29Å; V186-S188 PolarHBondContact O-N 3.02Å; S188-K191 PolarHBondContact O-N 3.49Å; S188-K192 VanDerWaalsContact O-CB 3.25Å; S188-K192 WeakPolarHBondContact O-CB 3.45Å; S188-K192 WeakPolarHBondContact O-CG 3.3Å; S188-K192 PolarHBondContact O-N 2.99Å |
| 189 | F | 64.8 | Low | 67.3 | Low | 118 Ų | 118 | 81.7 Ų | 81.7 | 52% | 0.518 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -69.1 | -41.3 | 173.8 | -101 | -85.8 | 0 | 0 | 0 | 111.4 | E185 V186 V187 K192 N193 | E185-F189 HydrophobicContact CG-CD2 3.94Å; E185-F189 HydrophobicContact CG-CE2 4.02Å; E185-F189 WeakPolarHBondContact O-CB 3.17Å; E185-F189 WeakPolarHBondContact O-CD2 3.27Å; E185-F189 PolarHBondContact O-N 2.96Å; V186-F189 CarbonylContact O-C 3.29Å; V186-F189 WeakPolarHBondContact O-CB 2.77Å; V186-F189 PolarHBondContact O-N 3.37Å; V186-F189 VanDerWaalsContact O-N 3.13Å; V187-F189 VanDerWaalsContact C-N 3.35Å; F189-K192 PolarHBondContact O-N 2.99Å; F189-N193 WeakPolarHBondContact O-CA 3.07Å; F189-N193 VanDerWaalsContact O-CB 3.28Å; F189-N193 WeakPolarHBondContact O-CB 3.48Å; F189-N193 PolarHBondContact O-N 3.09Å; F189-N193 PolarHBondContact O-ND2 3.15Å |
| 190 | V | 68 | Low | 68.4 | Low | 54 Ų | 54 | 81.3 Ų | 81.3 | 33% | 0.327 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -65.1 | -41.4 | 174.4 | 173.3 | 0 | 0 | 0 | 0 | 110.5 | V186 V187 N193 V194 T197 | V186-V190 HydrophobicContact CG1-CG2 4.42Å; V186-V190 VanDerWaalsContact O-CG2 3.24Å; V186-V190 WeakPolarHBondContact O-CG2 3.38Å; V186-V190 PolarHBondContact O-N 2.83Å; V187-V190 PolarHBondContact O-N 2.87Å; V190-N193 CarbonylContact O-C 3.54Å; V190-V194 WeakPolarHBondContact O-CA 3.46Å; V190-V194 WeakPolarHBondContact O-CB 3.27Å; V190-V194 WeakPolarHBondContact O-CG2 3.42Å; V190-V194 PolarHBondContact O-N 2.86Å; V190-T197 HydrophobicContact CG1-CG2 4.11Å; V190-T197 HydrophobicContact CG2-CG2 3.95Å |
| 191 | K | 70.8 | Confident | 69.7 | Low | 168 Ų | 168 | 80.4 Ų | 80.4 | 73% | 0.73 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -67 | -38.6 | 175.1 | -78.8 | -176.7 | 176.1 | -173.4 | 0 | 112.7 | V187 S188 | V187-K191 WeakPolarHBondContact O-CB 3.5Å; V187-K191 WeakPolarHBondContact O-CG 3.38Å; V187-K191 PolarHBondContact O-N 3.01Å; S188-K191 PolarHBondContact O-N 3.49Å |
| 192 | K | 64.6 | Low | 70.9 | Confident | 169 Ų | 169 | 79.2 Ų | 79.2 | 74% | 0.735 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -79 | -26.7 | 179.7 | -72.6 | 173.3 | -177.8 | 180 | 0 | 113.2 | S188 F189 | S188-K192 VanDerWaalsContact O-CB 3.25Å; S188-K192 WeakPolarHBondContact O-CB 3.45Å; S188-K192 WeakPolarHBondContact O-CG 3.3Å; S188-K192 PolarHBondContact O-N 2.99Å; F189-K192 PolarHBondContact O-N 2.99Å |
| 193 | N | 65.5 | Low | 72 | Confident | 40 Ų | 40 | 74.6 Ų | 74.6 | 21% | 0.214 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -127.7 | 41.2 | -176.3 | -54.5 | -87.6 | 0 | 0 | 0 | 111.2 | F189 V190 L195 V196 T197 | F189-N193 WeakPolarHBondContact O-CA 3.07Å; F189-N193 VanDerWaalsContact O-CB 3.28Å; F189-N193 WeakPolarHBondContact O-CB 3.48Å; F189-N193 PolarHBondContact O-N 3.09Å; F189-N193 PolarHBondContact O-ND2 3.15Å; V190-N193 CarbonylContact O-C 3.54Å; N193-L195 CarbonylContact O-C 3.57Å; N193-L195 PolarHBondContact O-N 3.48Å; N193-L195 VanDerWaalsContact O-N 3.07Å; N193-V196 HydrophobicContact CB-CB 4.01Å; N193-V196 HydrophobicContact CB-CG2 4.29Å; N193-V196 PolarHBondContact O-N 3.27Å; N193-T197 PolarHBondContact O-N 3.5Å; N193-T197 PolarHBondContact O-OG1 3.18Å |
| 194 | V | 65.4 | Low | 73 | Confident | 98 Ų | 98 | 73.8 Ų | 73.8 | 59% | 0.594 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -56.4 | -30.6 | -177.6 | 104.5 | 0 | 0 | 0 | 0 | 111.4 | V190 G198 | V190-V194 WeakPolarHBondContact O-CA 3.46Å; V190-V194 WeakPolarHBondContact O-CB 3.27Å; V190-V194 WeakPolarHBondContact O-CG2 3.42Å; V190-V194 PolarHBondContact O-N 2.86Å; V194-G198 VanDerWaalsContact O-CA 3.29Å; V194-G198 WeakPolarHBondContact O-CA 3.26Å; V194-G198 PolarHBondContact O-N 2.83Å |
| 195 | L | 61.3 | Low | 73.7 | Confident | 104 Ų | 104 | 71.7 Ų | 71.7 | 55% | 0.545 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.4 | -66.3 | 169.5 | -79.2 | 159.7 | 0 | 0 | 0 | 109.4 | V104 L108 N193 T197 G198 G199 | V104-L195 HydrophobicContact CG1-CB 3.69Å; V104-L195 HydrophobicContact CG1-CD1 3.76Å; V104-L195 HydrophobicContact CG1-CG 4.37Å; L108-L195 HydrophobicContact CD1-CB 4.23Å; L108-L195 WeakPolarHBondContact CD1-O 3.39Å; N193-L195 CarbonylContact O-C 3.57Å; N193-L195 PolarHBondContact O-N 3.48Å; N193-L195 VanDerWaalsContact O-N 3.07Å; L195-T197 VanDerWaalsContact C-N 3.34Å; L195-T197 PolarHBondContact O-N 3.19Å; L195-G198 CarbonylContact O-C 3.5Å; L195-G198 VanDerWaalsContact O-CA 3.27Å; L195-G198 WeakPolarHBondContact O-CA 3.26Å; L195-G198 PolarHBondContact O-N 3.25Å; L195-G199 PolarHBondContact O-N 3.49Å |
| 196 | V | 66.9 | Low | 74.5 | Confident | 21 Ų | 21 | 73.5 Ų | 73.5 | 13% | 0.127 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -52.6 | -46 | -179.1 | 175.7 | 0 | 0 | 0 | 0 | 113.6 | V104 Q107 N193 G198 G199 F200 | V104-V196 HydrophobicContact CG1-CG2 4.44Å; Q107-V196 HydrophobicContact CB-CG2 3.73Å; Q107-V196 HydrophobicContact CG-CB 4.37Å; Q107-V196 HydrophobicContact CG-CG1 3.83Å; Q107-V196 HydrophobicContact CG-CG2 3.57Å; N193-V196 HydrophobicContact CB-CB 4.01Å; N193-V196 HydrophobicContact CB-CG2 4.29Å; N193-V196 PolarHBondContact O-N 3.27Å; V196-G198 VanDerWaalsContact C-N 3.34Å; V196-G199 PolarHBondContact O-N 3.32Å; V196-F200 PolarHBondContact O-N 3.28Å |
| 197 | T | 71.7 | Confident | 74.9 | Confident | 33 Ų | 33 | 69.3 Ų | 69.3 | 20% | 0.202 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64.3 | -40.8 | 174.8 | -56.7 | 0 | 0 | 0 | 0 | 110.9 | V190 N193 L195 G199 F200 F201 | V190-T197 HydrophobicContact CG1-CG2 4.11Å; V190-T197 HydrophobicContact CG2-CG2 3.95Å; N193-T197 PolarHBondContact O-N 3.5Å; N193-T197 PolarHBondContact O-OG1 3.18Å; L195-T197 VanDerWaalsContact C-N 3.34Å; L195-T197 PolarHBondContact O-N 3.19Å; T197-G199 VanDerWaalsContact C-N 3.31Å; T197-G199 PolarHBondContact O-N 3.15Å; T197-F200 PolarHBondContact O-N 3.32Å; T197-F201 HydrophobicContact CG2-CD2 3.66Å; T197-F201 HydrophobicContact CG2-CE2 3.96Å; T197-F201 WeakPolarHBondContact O-CB 3.35Å; T197-F201 WeakPolarHBondContact O-CD2 3.3Å; T197-F201 PolarHBondContact O-N 3.45Å |
| 198 | G | 82.3 | Confident | 75.2 | Confident | 40 Ų | 40 | 67.5 Ų | 67.5 | 41% | 0.412 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.8 | -31.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | V194 L195 V196 G202 | V194-G198 VanDerWaalsContact O-CA 3.29Å; V194-G198 WeakPolarHBondContact O-CA 3.26Å; V194-G198 PolarHBondContact O-N 2.83Å; L195-G198 CarbonylContact O-C 3.5Å; L195-G198 VanDerWaalsContact O-CA 3.27Å; L195-G198 WeakPolarHBondContact O-CA 3.26Å; L195-G198 PolarHBondContact O-N 3.25Å; V196-G198 VanDerWaalsContact C-N 3.34Å; G198-G202 VanDerWaalsContact O-CA 3.27Å; G198-G202 WeakPolarHBondContact O-CA 3.4Å; G198-G202 PolarHBondContact O-N 3.36Å |
| 199 | G | 81.9 | Confident | 75.6 | Confident | 10 Ų | 10 | 69.8 Ų | 69.8 | 10% | 0.103 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -69.2 | -48.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | L108 G112 L195 V196 T197 G202 G203 | L108-G199 VanDerWaalsContact CD1-N 3.28Å; G112-G199 WeakPolarHBondContact CA-O 3.49Å; L195-G199 PolarHBondContact O-N 3.49Å; V196-G199 PolarHBondContact O-N 3.32Å; T197-G199 VanDerWaalsContact C-N 3.31Å; T197-G199 PolarHBondContact O-N 3.15Å; G199-G202 PolarHBondContact O-N 3.47Å; G199-G203 WeakPolarHBondContact O-CA 3.49Å; G199-G203 PolarHBondContact O-N 3.15Å |
| 200 | F | 83.5 | Confident | 75.6 | Confident | 76 Ų | 76 | 68.6 Ų | 68.6 | 33% | 0.333 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62 | -49.1 | 175.7 | 177.7 | -95.2 | 0 | 0 | 0 | 112.8 | G111 V196 T197 G203 F204 | G111-F200 VanDerWaalsContact O-CA 3.26Å; G111-F200 WeakPolarHBondContact O-CA 3.33Å; G111-F200 WeakPolarHBondContact O-CD2 3.49Å; V196-F200 PolarHBondContact O-N 3.28Å; T197-F200 PolarHBondContact O-N 3.32Å; F200-G203 PolarHBondContact O-N 2.6Å; F200-F204 WeakPolarHBondContact O-CB 3.48Å; F200-F204 PolarHBondContact O-N 3Å |
| 201 | F | 86.3 | Confident | 76 | Confident | 114 Ų | 114 | 69.3 Ų | 69.3 | 50% | 0.5 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -68.1 | -39 | 177.3 | -92 | -94.5 | 0 | 0 | 0 | 112.2 | T197 F204 L205 | T197-F201 HydrophobicContact CG2-CD2 3.66Å; T197-F201 HydrophobicContact CG2-CE2 3.96Å; T197-F201 WeakPolarHBondContact O-CB 3.35Å; T197-F201 WeakPolarHBondContact O-CD2 3.3Å; T197-F201 PolarHBondContact O-N 3.45Å; F201-F204 PolarHBondContact O-N 2.92Å; F201-L205 VanDerWaalsContact O-CB 3.31Å; F201-L205 WeakPolarHBondContact O-CB 3.45Å; F201-L205 VanDerWaalsContact O-CG 3.24Å; F201-L205 WeakPolarHBondContact O-CG 3.01Å; F201-L205 PolarHBondContact O-N 2.88Å |
| 202 | G | 87.8 | Confident | 76.3 | Confident | 35 Ų | 35 | 64.1 Ų | 64.1 | 36% | 0.361 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63 | -46.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | G198 G199 L206 | G198-G202 VanDerWaalsContact O-CA 3.27Å; G198-G202 WeakPolarHBondContact O-CA 3.4Å; G198-G202 PolarHBondContact O-N 3.36Å; G199-G202 PolarHBondContact O-N 3.47Å; G202-L206 WeakPolarHBondContact O-CB 3.37Å; G202-L206 PolarHBondContact O-N 3.08Å |
| 203 | G | 84.9 | Confident | 76.9 | Confident | 8 Ų | 8 | 58.3 Ų | 58.3 | 8% | 0.082 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59.4 | -48.2 | 172 | 0 | 0 | 0 | 0 | 0 | 111.7 | G112 G115 W116 G199 F200 L206 G207 | G112-G203 WeakPolarHBondContact O-CA 3.19Å; G115-G203 VanDerWaalsContact C-C 3.47Å; W116-G203 WeakPolarHBondContact CA-O 3.35Å; W116-G203 PolarHBondContact N-O 3.01Å; G199-G203 WeakPolarHBondContact O-CA 3.49Å; G199-G203 PolarHBondContact O-N 3.15Å; F200-G203 PolarHBondContact O-N 2.6Å; G203-L206 PolarHBondContact O-N 3.41Å; G203-G207 PolarHBondContact O-N 2.9Å |
| 204 | F | 86.2 | Confident | 77.6 | Confident | 37 Ų | 37 | 59.4 Ų | 59.4 | 16% | 0.162 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61 | -46.2 | 178.8 | 176.4 | -100.9 | 0 | 0 | 0 | 113.1 | G115 T118 G119 F122 F200 F201 G207 M208 | G115-F204 VanDerWaalsContact C-CA 3.49Å; G115-F204 VanDerWaalsContact C-N 3.3Å; G115-F204 WeakPolarHBondContact O-CA 3.19Å; T118-F204 HydrophobicContact CG2-CD2 4.27Å; T118-F204 HydrophobicContact CG2-CE2 4.29Å; G119-F204 VanDerWaalsContact CA-CD2 3.43Å; F122-F204 HydrophobicContact CB-CE2 4.04Å; F122-F204 HydrophobicContact CB-CZ 4.4Å; F122-F204 HydrophobicContact CD1-CE2 4.43Å; F122-F204 AromaticContact CD1-CZ 3.95Å; F122-F204 HydrophobicContact CD1-CZ 3.95Å; F122-F204 HydrophobicContact CE1-CZ 4.41Å; F122-F204 HydrophobicContact CG-CE2 4.22Å; F122-F204 HydrophobicContact CG-CZ 4.12Å; F200-F204 WeakPolarHBondContact O-CB 3.48Å; F200-F204 PolarHBondContact O-N 3Å; F201-F204 PolarHBondContact O-N 2.92Å; F204-G207 CarbonylContact O-C 3.49Å; F204-G207 PolarHBondContact O-N 3.42Å; F204-M208 HydrophobicContact CD1-CE 3.67Å; F204-M208 HydrophobicContact CD1-CG 4.46Å; F204-M208 HydrophobicContact CD1-SD 4.21Å; F204-M208 HydrophobicContact CE1-CE 3.26Å; F204-M208 HydrophobicContact CE1-CG 4.1Å; F204-M208 HydrophobicContact CE1-SD 3.41Å; F204-M208 WeakPolarHBondContact CE1-SD 3.02Å; F204-M208 HydrophobicContact CE2-CG 4.33Å; F204-M208 HydrophobicContact CE2-SD 4.37Å; F204-M208 HydrophobicContact CZ-CE 4.01Å; F204-M208 HydrophobicContact CZ-CG 4.01Å; F204-M208 HydrophobicContact CZ-SD 3.5Å; F204-M208 WeakPolarHBondContact CZ-SD 3.37Å; F204-M208 WeakPolarHBondContact O-CB 3.22Å; F204-M208 WeakPolarHBondContact O-CG 3.31Å; F204-M208 PolarHBondContact O-N 3.47Å |
| 205 | L | 85.3 | Confident | 78.3 | Confident | 98 Ų | 98 | 56.9 Ų | 56.9 | 51% | 0.513 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66.6 | -42.3 | 177.5 | -73.2 | 168.7 | 0 | 0 | 0 | 111.8 | F201 G207 M208 A209 | F201-L205 VanDerWaalsContact O-CB 3.31Å; F201-L205 WeakPolarHBondContact O-CB 3.45Å; F201-L205 VanDerWaalsContact O-CG 3.24Å; F201-L205 WeakPolarHBondContact O-CG 3.01Å; F201-L205 PolarHBondContact O-N 2.88Å; L205-G207 VanDerWaalsContact C-N 3.31Å; L205-M208 HydrophobicContact CD2-CE 3.3Å; L205-M208 HydrophobicContact CG-CE 4.25Å; L205-M208 CarbonylContact O-C 3.42Å; L205-M208 WeakPolarHBondContact O-CB 3.28Å; L205-M208 PolarHBondContact O-N 3.41Å; L205-A209 WeakPolarHBondContact O-CB 3.45Å; L205-A209 PolarHBondContact O-N 3.16Å |
| 206 | L | 85 | Confident | 79.5 | Confident | 112 Ų | 112 | 53.8 Ų | 53.8 | 59% | 0.586 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -62.5 | -44.9 | 175.6 | -155.6 | 68.8 | 0 | 0 | 0 | 107.4 | W116 G202 G203 M208 A209 S210 | W116-L206 HydrophobicContact CE3-CB 3.42Å; W116-L206 VanDerWaalsContact CE3-CB 3.42Å; W116-L206 HydrophobicContact CE3-CD2 3.81Å; W116-L206 HydrophobicContact CE3-CG 3.66Å; W116-L206 HydrophobicContact CH2-CG 4.1Å; W116-L206 HydrophobicContact CZ3-CB 3.26Å; W116-L206 HydrophobicContact CZ3-CD1 4.4Å; W116-L206 HydrophobicContact CZ3-CD2 3.61Å; W116-L206 HydrophobicContact CZ3-CG 3.11Å; W116-L206 WeakPolarHBondContact CZ3-O 3.14Å; G202-L206 WeakPolarHBondContact O-CB 3.37Å; G202-L206 PolarHBondContact O-N 3.08Å; G203-L206 PolarHBondContact O-N 3.41Å; L206-M208 PolarHBondContact O-N 3.5Å; L206-A209 CarbonylContact O-C 3.36Å; L206-A209 WeakPolarHBondContact O-CA 3.43Å; L206-A209 WeakPolarHBondContact O-CB 3.35Å; L206-A209 PolarHBondContact O-N 3.42Å; L206-S210 PolarHBondContact O-N 2.9Å |
| 207 | G | 75.7 | Confident | 80.4 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66.7 | -27.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | W116 G119 F120 G203 F204 L205 | W116-G207 VanDerWaalsContact CE3-CA 3.49Å; W116-G207 VanDerWaalsContact CZ3-N 3.3Å; G119-G207 VanDerWaalsContact C-C 3.48Å; G119-G207 CarbonylContact C-O 3.49Å; F120-G207 VanDerWaalsContact CA-O 3.3Å; F120-G207 WeakPolarHBondContact CA-O 3.49Å; F120-G207 PolarHBondContact N-O 3.14Å; G203-G207 PolarHBondContact O-N 2.9Å; F204-G207 CarbonylContact O-C 3.49Å; F204-G207 PolarHBondContact O-N 3.42Å; L205-G207 VanDerWaalsContact C-N 3.31Å |
| 208 | M | 76.4 | Confident | 81 | Confident | 42 Ų | 42 | 57.9 Ų | 57.9 | 21% | 0.207 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -74.1 | -26.5 | 169.5 | -79.2 | -161.4 | -54.3 | 0 | 0 | 113.7 | F122 Q123 F204 L205 L206 | F122-M208 HydrophobicContact CD1-CG 4.16Å; F122-M208 HydrophobicContact CD1-SD 3.59Å; F122-M208 VanDerWaalsContact CD1-SD 3.59Å; F122-M208 HydrophobicContact CE1-SD 3.93Å; Q123-M208 HydrophobicContact CG-CB 4.1Å; Q123-M208 HydrophobicContact CG-CG 4.26Å; Q123-M208 WeakPolarHBondContact CG-O 2.99Å; Q123-M208 PolarHBondContact NE2-O 3.43Å; Q123-M208 PolarHBondContact OE1-O 3.22Å; F204-M208 HydrophobicContact CD1-CE 3.67Å; F204-M208 HydrophobicContact CD1-CG 4.46Å; F204-M208 HydrophobicContact CD1-SD 4.21Å; F204-M208 HydrophobicContact CE1-CE 3.26Å; F204-M208 HydrophobicContact CE1-CG 4.1Å; F204-M208 HydrophobicContact CE1-SD 3.41Å; F204-M208 WeakPolarHBondContact CE1-SD 3.02Å; F204-M208 HydrophobicContact CE2-CG 4.33Å; F204-M208 HydrophobicContact CE2-SD 4.37Å; F204-M208 HydrophobicContact CZ-CE 4.01Å; F204-M208 HydrophobicContact CZ-CG 4.01Å; F204-M208 HydrophobicContact CZ-SD 3.5Å; F204-M208 WeakPolarHBondContact CZ-SD 3.37Å; F204-M208 WeakPolarHBondContact O-CB 3.22Å; F204-M208 WeakPolarHBondContact O-CG 3.31Å; F204-M208 PolarHBondContact O-N 3.47Å; L205-M208 HydrophobicContact CD2-CE 3.3Å; L205-M208 HydrophobicContact CG-CE 4.25Å; L205-M208 CarbonylContact O-C 3.42Å; L205-M208 WeakPolarHBondContact O-CB 3.28Å; L205-M208 PolarHBondContact O-N 3.41Å; L206-M208 PolarHBondContact O-N 3.5Å |
| 209 | A | 73.8 | Confident | 80.9 | Confident | 88 Ų | 88 | 59.4 Ų | 59.4 | 73% | 0.727 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -86.5 | -13.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L205 L206 | L205-A209 WeakPolarHBondContact O-CB 3.45Å; L205-A209 PolarHBondContact O-N 3.16Å; L206-A209 CarbonylContact O-C 3.36Å; L206-A209 WeakPolarHBondContact O-CA 3.43Å; L206-A209 WeakPolarHBondContact O-CB 3.35Å; L206-A209 PolarHBondContact O-N 3.42Å |
| 210 | S | 64.6 | Low | 80.9 | Confident | 93 Ų | 93 | 63.9 Ų | 63.9 | 65% | 0.65 | 38% | 0.375 | S | S | * | . | trans | -81.6 | 0 | -177.4 | -170.4 | 0 | 0 | 0 | 0 | 114.9 | W116 L206 | W116-S210 VanDerWaalsContact CH2-CB 3.46Å; W116-S210 WeakPolarHBondContact CZ2-OG 3.11Å; L206-S210 PolarHBondContact O-N 2.9Å |
Retrieved 210 of 210 residues in 40.1 ms
(Link to these results)