| 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 | 39.4 | Very low | 33.4 | Very low | 247 Ų | 247 | 153.5 Ų | 153.5 | 100% | 1.217 | 86% | 0.855 | S | S | * | * | 0 | 88 | 0 | -164.4 | 167.5 | 179.7 | 0 | 0 | 107 | |||||
| 2 | Y | 30.6 | Very low | 33.5 | Very low | 228 Ų | 228 | 155.9 Ų | 155.9 | 89% | 0.894 | 86% | 0.859 | S | S | * | * | trans | -90.3 | 142.8 | 172.5 | -104.8 | -97.7 | 0 | 0 | 0 | 107.6 | ||||
| 3 | I | 28.9 | Very low | 33.4 | Very low | 168 Ų | 168 | 155.5 Ų | 155.5 | 86% | 0.862 | 86% | 0.855 | S | S | * | * | trans | -170.5 | 126.6 | 131.6 | -89.9 | 152.2 | 0 | 0 | 0 | 107.4 | ||||
| 4 | A | 33.4 | Very low | 33.9 | Very low | 80 Ų | 80 | 151 Ų | 151 | 66% | 0.661 | 85% | 0.848 | S | S | * | * | trans | -69.9 | 165.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 5 | L | 29.8 | Very low | 34.3 | Very low | 165 Ų | 165 | 152.1 Ų | 152.1 | 86% | 0.864 | 85% | 0.851 | S | S | * | * | -165.7 | 128.3 | 129.2 | -99 | 162.2 | 0 | 0 | 0 | 111.1 | |||||
| 6 | T | 34 | Very low | 34.4 | Very low | 126 Ų | 126 | 148.9 Ų | 148.9 | 77% | 0.773 | 84% | 0.842 | S | S | * | * | trans | -60.6 | 144.1 | 174.3 | 44.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 7 | S | 31.1 | Very low | 34.4 | Very low | 120 Ų | 120 | 151 Ų | 151 | 84% | 0.839 | 85% | 0.846 | S | S | * | * | trans | -155.5 | 131.1 | 144.9 | 52.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 8 | S | 33.2 | Very low | 34.5 | Very low | 111 Ų | 111 | 149.4 Ų | 149.4 | 78% | 0.776 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 158.7 | 179.4 | -42.7 | 0 | 0 | 0 | 0 | 112.3 | ||
| 9 | P | 35.3 | Very low | 34.6 | Very low | 122 Ų | 122 | 152 Ų | 152 | 79% | 0.792 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 145.7 | -179.7 | 31.4 | -32.4 | 0 | 0 | 0 | 111.8 | ||
| 10 | P | 35.8 | Very low | 34.4 | Very low | 124 Ų | 124 | 153.8 Ų | 153.8 | 81% | 0.805 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 141.8 | 170.8 | 30.9 | -30 | 0 | 0 | 0 | 111.3 | M12 | P10-M12 PolarHBondContact O-N 3.46Š|
| 11 | E | 36 | Very low | 34.4 | Very low | 197 Ų | 197 | 152.5 Ų | 152.5 | 92% | 0.921 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 127.2 | 173.6 | -66.9 | 173 | 151.2 | 0 | 0 | 111.7 | N13 | E11-N13 PolarHBondContact O-N 2.99Š|
| 12 | M | 34 | Very low | 34 | Very low | 183 Ų | 183 | 148.6 Ų | 148.6 | 90% | 0.901 | 82% | 0.821 | S | S | * | * | trans | -88.6 | 107.3 | 176.3 | -153.5 | 179.1 | 5.9 | 0 | 0 | 109.3 | P10 A14 | P10-M12 PolarHBondContact O-N 3.46Å; M12-A14 PolarHBondContact O-N 2.71Å | ||
| 13 | N | 32.3 | Very low | 34 | Very low | 151 Ų | 151 | 143.4 Ų | 143.4 | 81% | 0.807 | 81% | 0.813 | S | S | * | * | trans | -59.2 | 122.2 | 176.7 | -137.8 | -16.9 | 0 | 0 | 0 | 110.4 | E11 N15 | E11-N13 PolarHBondContact O-N 2.99Å; N13-N15 VanDerWaalsContact C-N 3.32Å; N13-N15 PolarHBondContact O-N 3.23Å | ||
| 14 | A | 40.9 | Very low | 34 | Very low | 92 Ų | 92 | 145.8 Ų | 145.8 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -75.6 | 76.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | M12 | M12-A14 PolarHBondContact O-N 2.71Š|
| 15 | N | 40 | Very low | 34 | Very low | 167 Ų | 167 | 149.9 Ų | 149.9 | 89% | 0.893 | 82% | 0.819 | S | S | * | * | trans | -168.7 | 43.8 | 163.5 | -106.4 | -14.8 | 0 | 0 | 0 | 115.5 | N13 | N13-N15 VanDerWaalsContact C-N 3.32Å; N13-N15 PolarHBondContact O-N 3.23Å | ||
| 16 | S | 35.3 | Very low | 34.2 | Very low | 102 Ų | 102 | 150.8 Ų | 150.8 | 71% | 0.713 | 82% | 0.818 | S | S | * | * | trans | -139.7 | 67.8 | 170.4 | 57.1 | 0 | 0 | 0 | 0 | 112.6 | P18 | S16-P18 WeakPolarHBondContact O-CD 3.43Š| ||
| 17 | M | 35.1 | Very low | 34.4 | Very low | 184 Ų | 184 | 152 Ų | 152 | 91% | 0.906 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -65 | 127.3 | 159.4 | -76.8 | -173.8 | -175.8 | 0 | 0 | 109 | K19 | M17-K19 PolarHBondContact O-N 3Š|
| 18 | P | 35.2 | Very low | 34.8 | Very low | 122 Ų | 122 | 150.7 Ų | 150.7 | 79% | 0.792 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 125 | 164.1 | 26.6 | -29.3 | 0 | 0 | 0 | 108.2 | S16 Q20 | S16-P18 WeakPolarHBondContact O-CD 3.43Å; P18-Q20 PolarHBondContact O-N 3.41Å; P18-Q20 VanDerWaalsContact O-N 3.1Å |
| 19 | K | 36.7 | Very low | 35.1 | Very low | 199 Ų | 199 | 153.6 Ų | 153.6 | 87% | 0.865 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -48 | 118.3 | 174.2 | -74.5 | 177.4 | 175.9 | 177.5 | 0 | 109.2 | M17 V21 | M17-K19 PolarHBondContact O-N 3Å; K19-V21 PolarHBondContact O-N 2.96Å; K19-V21 VanDerWaalsContact O-N 3.09Å |
| 20 | Q | 30.9 | Very low | 35.5 | Very low | 187 Ų | 187 | 154.4 Ų | 154.4 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 116.6 | 166.8 | -74 | -171 | -16.5 | 0 | 0 | 107.9 | P18 E22 | P18-Q20 PolarHBondContact O-N 3.41Å; P18-Q20 VanDerWaalsContact O-N 3.1Å; Q20-E22 VanDerWaalsContact C-N 3.28Å; Q20-E22 PolarHBondContact O-N 3.44Å |
| 21 | V | 34.7 | Very low | 35.6 | Very low | 128 Ų | 128 | 156.7 Ų | 156.7 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | trans | -70.4 | 96.8 | 165 | 177.5 | 0 | 0 | 0 | 0 | 105.4 | K19 V23 | K19-V21 PolarHBondContact O-N 2.96Å; K19-V21 VanDerWaalsContact O-N 3.09Å; V21-V23 VanDerWaalsContact C-N 3.33Å; V21-V23 HydrophobicContact CG1-CG2 4.49Å; V21-V23 PolarHBondContact O-N 3.18Å | ||
| 22 | E | 29.8 | Very low | 35.9 | Very low | 165 Ų | 165 | 153 Ų | 153 | 77% | 0.771 | 80% | 0.796 | S | S | * | * | trans | -63.6 | 96.5 | 171.1 | -163.8 | 178.3 | -158.9 | 0 | 0 | 107.4 | Q20 R24 | Q20-E22 VanDerWaalsContact C-N 3.28Å; Q20-E22 PolarHBondContact O-N 3.44Å; E22-R24 PolarHBondContact O-N 2.92Å | ||
| 23 | V | 32.3 | Very low | 36.6 | Very low | 119 Ų | 119 | 151.5 Ų | 151.5 | 72% | 0.721 | 79% | 0.791 | S | S | * | * | trans | -69.9 | 89.6 | 170 | -179.3 | 0 | 0 | 0 | 0 | 106.1 | V21 M25 | V21-V23 VanDerWaalsContact C-N 3.33Å; V21-V23 HydrophobicContact CG1-CG2 4.49Å; V21-V23 PolarHBondContact O-N 3.18Å; V23-M25 VanDerWaalsContact C-N 3.27Å; V23-M25 PolarHBondContact O-N 3.35Å | ||
| 24 | R | 28.4 | Very low | 37.2 | Very low | 217 Ų | 217 | 153 Ų | 153 | 82% | 0.819 | 79% | 0.793 | S | S | * | * | trans | -63.2 | 92.3 | 170 | -164.6 | -178.2 | -83.1 | -165.1 | -5 | 106.9 | E22 H26 | E22-R24 PolarHBondContact O-N 2.92Å; R24-H26 PolarHBondContact O-N 3.47Å | ||
| 25 | M | 34 | Very low | 37.8 | Very low | 167 Ų | 167 | 153 Ų | 153 | 82% | 0.823 | 79% | 0.793 | S | S | * | * | trans | -61.5 | 109.1 | 169 | -73.2 | -138.8 | -141.4 | 0 | 0 | 106.8 | V23 E27 | V23-M25 VanDerWaalsContact C-N 3.27Å; V23-M25 PolarHBondContact O-N 3.35Å; M25-E27 VanDerWaalsContact C-N 3.32Å; M25-E27 PolarHBondContact O-N 2.98Å | ||
| 26 | H | 32.3 | Very low | 38.5 | Very low | 183 Ų | 183 | 155.8 Ų | 155.8 | 85% | 0.847 | 79% | 0.791 | S | S | * | * | trans | -66 | 101.1 | 165.1 | -124.9 | -30.8 | 0 | 0 | 0 | 105.9 | R24 S28 | R24-H26 PolarHBondContact O-N 3.47Å; H26-S28 VanDerWaalsContact C-N 3.26Å; H26-S28 PolarHBondContact O-N 3.22Å | ||
| 27 | E | 39.4 | Very low | 39.1 | Very low | 153 Ų | 153 | 157.1 Ų | 157.1 | 72% | 0.715 | 80% | 0.797 | S | S | * | * | trans | -57.7 | 97.7 | 163.7 | -79.9 | -177.5 | 142.7 | 0 | 0 | 107.1 | M25 H29 | M25-E27 VanDerWaalsContact C-N 3.32Å; M25-E27 PolarHBondContact O-N 2.98Å; E27-H29 VanDerWaalsContact C-N 3.31Å; E27-H29 PolarHBondContact O-N 3.41Å | ||
| 28 | S | 38.6 | Very low | 40.2 | Very low | 92 Ų | 92 | 156 Ų | 156 | 64% | 0.643 | 78% | 0.783 | S | S | * | * | trans | -65.3 | 101.6 | 161.9 | 54.8 | 0 | 0 | 0 | 0 | 106 | H26 L30 | H26-S28 VanDerWaalsContact C-N 3.26Å; H26-S28 PolarHBondContact O-N 3.22Å; S28-L30 PolarHBondContact O-N 3.26Å | ||
| 29 | H | 39.4 | Very low | 41.9 | Very low | 172 Ų | 172 | 153.8 Ų | 153.8 | 80% | 0.796 | 77% | 0.77 | S | S | * | * | trans | -61.7 | 75.2 | 161 | -69.7 | -79.5 | 0 | 0 | 0 | 108.6 | E27 E31 | E27-H29 VanDerWaalsContact C-N 3.31Å; E27-H29 PolarHBondContact O-N 3.41Å; H29-E31 PolarHBondContact O-N 2.72Å | ||
| 30 | L | 44.1 | Very low | 43.4 | Very low | 139 Ų | 139 | 152.8 Ų | 152.8 | 73% | 0.728 | 77% | 0.766 | S | S | * | * | trans | -77.9 | 109.3 | 156.7 | -82.5 | 155.9 | 0 | 0 | 0 | 104.9 | S28 | S28-L30 PolarHBondContact O-N 3.26Š| ||
| 31 | E | 38.6 | Very low | 45 | Very low | 171 Ų | 171 | 148.4 Ų | 148.4 | 80% | 0.799 | 76% | 0.755 | S | S | * | * | trans | -46.2 | 139.9 | 164.4 | -65.3 | -170.4 | 153.7 | 0 | 0 | 108.9 | H29 I33 | H29-E31 PolarHBondContact O-N 2.72Å; E31-I33 PolarHBondContact O-N 3.23Å | ||
| 32 | P | 41.3 | Very low | 46.5 | Very low | 119 Ų | 119 | 144.3 Ų | 144.3 | 77% | 0.773 | 73% | 0.734 | S | S | * | * | trans | -58.9 | 113 | 179.1 | 24.2 | -30.6 | 0 | 0 | 0 | 107.1 | E34 | P32-E34 PolarHBondContact O-N 3.44Š| ||
| 33 | I | 48.6 | Very low | 48.3 | Very low | 153 Ų | 153 | 141.3 Ų | 141.3 | 79% | 0.785 | 72% | 0.72 | S | S | * | * | trans | -52.1 | 107.5 | 173 | -63.6 | 171.7 | 0 | 0 | 0 | 106 | E31 A35 | E31-I33 PolarHBondContact O-N 3.23Å; I33-A35 PolarHBondContact O-N 2.9Å | ||
| 34 | E | 45.8 | Very low | 50 | Low | 182 Ų | 182 | 140.4 Ų | 140.4 | 85% | 0.85 | 71% | 0.71 | S | S | * | * | trans | -53.5 | 110.7 | 173.5 | -77.6 | -173.1 | 152.7 | 0 | 0 | 107.1 | P32 R36 | P32-E34 PolarHBondContact O-N 3.44Å; E34-R36 PolarHBondContact O-N 3.41Å | ||
| 35 | A | 53.1 | Low | 51.6 | Low | 92 Ų | 92 | 132.9 Ų | 132.9 | 76% | 0.76 | 69% | 0.69 | S | S | * | * | trans | -59.7 | 113.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 108 | I33 | I33-A35 PolarHBondContact O-N 2.9Š| ||
| 36 | R | 55.7 | Low | 53.1 | Low | 225 Ų | 225 | 126.8 Ų | 126.8 | 85% | 0.849 | 66% | 0.664 | S | S | * | * | trans | -42.5 | 136.2 | 174.1 | -77.1 | -177.5 | 178.3 | -177.9 | -0.3 | 109.6 | E34 R38 | E34-R36 PolarHBondContact O-N 3.41Å; R36-R38 PolarHBondContact O-N 2.82Å | ||
| 37 | P | 48 | Very low | 54.7 | Low | 130 Ų | 130 | 125.4 Ų | 125.4 | 84% | 0.844 | 66% | 0.656 | S | S | * | * | trans | -60 | 104.6 | 178.8 | 23.3 | -31.4 | 0 | 0 | 0 | 109 | S39 | P37-S39 PolarHBondContact O-N 2.96Š| ||
| 38 | R | 57.6 | Low | 55.7 | Low | 162 Ų | 162 | 122.4 Ų | 122.4 | 61% | 0.611 | 64% | 0.643 | S | S | * | * | trans | -60.9 | 134.6 | 176.2 | -75.5 | -176.5 | 177.4 | 179.7 | -0.2 | 108.2 | R36 A42 Q43 | R36-R38 PolarHBondContact O-N 2.82Å; R38-A42 HydrophobicContact CB-CB 4.5Å; R38-Q43 HydrophobicContact CB-CG 3.65Å | ||
| 39 | S | 70.9 | Confident | 56.8 | Low | 74 Ų | 74 | 125 Ų | 125 | 52% | 0.517 | 64% | 0.643 | S | S | . | * | trans | -54.1 | 146.7 | 174.6 | 75.2 | 0 | 0 | 0 | 0 | 110.1 | P37 C41 A42 Q43 | P37-S39 PolarHBondContact O-N 2.96Å; S39-C41 PolarHBondContact O-N 2.88Å; S39-C41 VanDerWaalsContact O-N 3.11Å; S39-A42 PolarHBondContact O-N 2.75Å; S39-A42 WeakPolarHBondContact OG-CB 3.27Å; S39-A42 PolarHBondContact OG-N 2.97Å; S39-A42 VanDerWaalsContact OG-N 3.14Å; S39-Q43 PolarHBondContact O-N 2.84Å | ||
| 40 | K | 67.3 | Low | 57.9 | Low | 178 Ų | 178 | 124.8 Ų | 124.8 | 77% | 0.774 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -52.1 | -37.7 | 178.9 | -70.7 | -176.6 | 177.4 | 179 | 0 | 111.3 | Q43 I44 | K40-Q43 PolarHBondContact O-N 3.02Å; K40-I44 WeakPolarHBondContact O-CB 3.45Å; K40-I44 WeakPolarHBondContact O-CD1 3.38Å; K40-I44 WeakPolarHBondContact O-CG1 3.48Å; K40-I44 PolarHBondContact O-N 2.86Å |
| 41 | C | 64.3 | Low | 59 | Low | 96 Ų | 96 | 122.8 Ų | 122.8 | 65% | 0.649 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -67 | -40.3 | 176.5 | -159 | 0 | 0 | 0 | 0 | 112.9 | S39 I44 C45 | S39-C41 PolarHBondContact O-N 2.88Å; S39-C41 VanDerWaalsContact O-N 3.11Å; C41-I44 PolarHBondContact O-N 2.87Å; C41-C45 WeakPolarHBondContact O-CB 3.37Å; C41-C45 PolarHBondContact O-N 2.93Å |
| 42 | A | 68.1 | Low | 60.8 | Low | 42 Ų | 42 | 117.4 Ų | 117.4 | 35% | 0.347 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -68.8 | -33.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | R38 S39 S46 | R38-A42 HydrophobicContact CB-CB 4.5Å; S39-A42 PolarHBondContact O-N 2.75Å; S39-A42 WeakPolarHBondContact OG-CB 3.27Å; S39-A42 PolarHBondContact OG-N 2.97Å; S39-A42 VanDerWaalsContact OG-N 3.14Å; A42-S46 WeakPolarHBondContact O-CB 3.26Å; A42-S46 PolarHBondContact O-N 2.86Å |
| 43 | Q | 66.5 | Low | 61.9 | Low | 101 Ų | 101 | 114.2 Ų | 114.2 | 47% | 0.472 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -68.4 | -42.9 | 172.8 | -70.2 | -175.9 | -12.7 | 0 | 0 | 112 | R38 S39 K40 K47 | R38-Q43 HydrophobicContact CB-CG 3.65Å; S39-Q43 PolarHBondContact O-N 2.84Å; K40-Q43 PolarHBondContact O-N 3.02Å; Q43-K47 WeakPolarHBondContact O-CB 3.42Å; Q43-K47 WeakPolarHBondContact O-CG 3.28Å; Q43-K47 PolarHBondContact O-N 3Å |
| 44 | I | 68 | Low | 62.6 | Low | 100 Ų | 100 | 109.2 Ų | 109.2 | 51% | 0.513 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64 | -47 | 175.6 | -69.3 | 163.8 | 0 | 0 | 0 | 110.2 | K40 C41 S46 K47 M48 | K40-I44 WeakPolarHBondContact O-CB 3.45Å; K40-I44 WeakPolarHBondContact O-CD1 3.38Å; K40-I44 WeakPolarHBondContact O-CG1 3.48Å; K40-I44 PolarHBondContact O-N 2.86Å; C41-I44 PolarHBondContact O-N 2.87Å; I44-S46 PolarHBondContact O-N 3.34Å; I44-K47 CarbonylContact O-C 2.99Å; I44-K47 PolarHBondContact O-N 3.1Å; I44-K47 VanDerWaalsContact O-N 3.14Å; I44-M48 HydrophobicContact CG2-CG 4.38Å; I44-M48 HydrophobicContact CG2-SD 4.01Å; I44-M48 WeakPolarHBondContact O-CG 3.49Å; I44-M48 PolarHBondContact O-N 3.36Å |
| 45 | C | 62.8 | Low | 63.9 | Low | 59 Ų | 59 | 102.4 Ų | 102.4 | 40% | 0.399 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63 | -43.1 | 179.3 | -156.6 | 0 | 0 | 0 | 0 | 111.3 | C41 K47 M48 F49 | C41-C45 WeakPolarHBondContact O-CB 3.37Å; C41-C45 PolarHBondContact O-N 2.93Å; C45-K47 VanDerWaalsContact C-N 3.32Å; C45-K47 PolarHBondContact O-N 3.09Å; C45-M48 PolarHBondContact O-N 2.98Å; C45-F49 WeakPolarHBondContact O-CD2 3.43Å; C45-F49 PolarHBondContact O-N 3.43Å |
| 46 | S | 65.9 | Low | 65.2 | Low | 40 Ų | 40 | 101.1 Ų | 101.1 | 28% | 0.28 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.4 | -35.1 | 174 | -178.9 | 0 | 0 | 0 | 0 | 113 | A42 I44 K50 | A42-S46 WeakPolarHBondContact O-CB 3.26Å; A42-S46 PolarHBondContact O-N 2.86Å; I44-S46 PolarHBondContact O-N 3.34Å; S46-K50 WeakPolarHBondContact O-CG 3.13Å; S46-K50 PolarHBondContact O-N 3.32Å |
| 47 | K | 64.3 | Low | 65.8 | Low | 153 Ų | 153 | 90.8 Ų | 90.8 | 67% | 0.665 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -70.8 | -39.3 | 172.8 | -81.8 | -177.3 | 175.1 | -178.1 | 0 | 112.4 | Q43 I44 C45 K50 N51 | Q43-K47 WeakPolarHBondContact O-CB 3.42Å; Q43-K47 WeakPolarHBondContact O-CG 3.28Å; Q43-K47 PolarHBondContact O-N 3Å; I44-K47 CarbonylContact O-C 2.99Å; I44-K47 PolarHBondContact O-N 3.1Å; I44-K47 VanDerWaalsContact O-N 3.14Å; C45-K47 VanDerWaalsContact C-N 3.32Å; C45-K47 PolarHBondContact O-N 3.09Å; K47-K50 PolarHBondContact O-N 2.68Å; K47-N51 PolarHBondContact O-N 3.48Å |
| 48 | M | 60.8 | Low | 67 | Low | 91 Ų | 91 | 87.1 Ų | 87.1 | 45% | 0.448 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.4 | -43.5 | 176.2 | -77.1 | 175 | 71.1 | 0 | 0 | 111.5 | I44 C45 K50 N51 L52 T55 | I44-M48 HydrophobicContact CG2-CG 4.38Å; I44-M48 HydrophobicContact CG2-SD 4.01Å; I44-M48 WeakPolarHBondContact O-CG 3.49Å; I44-M48 PolarHBondContact O-N 3.36Å; C45-M48 PolarHBondContact O-N 2.98Å; M48-K50 VanDerWaalsContact C-N 3.3Å; M48-K50 PolarHBondContact O-N 3.43Å; M48-N51 CarbonylContact O-C 3.53Å; M48-N51 PolarHBondContact O-N 2.85Å; M48-L52 VanDerWaalsContact O-CA 3.22Å; M48-L52 WeakPolarHBondContact O-CA 3.39Å; M48-L52 PolarHBondContact O-N 3.28Å; M48-T55 HydrophobicContact CB-CG2 4.47Å; M48-T55 HydrophobicContact CE-CG2 3.55Å; M48-T55 HydrophobicContact CG-CG2 4.2Å |
| 49 | F | 61.9 | Low | 68.1 | Low | 146 Ų | 146 | 83.6 Ų | 83.6 | 64% | 0.64 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -65 | -31.3 | 176.2 | -90 | -78.3 | 0 | 0 | 0 | 113.4 | C45 | C45-F49 WeakPolarHBondContact O-CD2 3.43Å; C45-F49 PolarHBondContact O-N 3.43Å |
| 50 | K | 62.2 | Low | 68.6 | Low | 168 Ų | 168 | 80.4 Ų | 80.4 | 73% | 0.73 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -69.4 | -34 | 174.8 | -75.1 | -179 | 178.7 | -169 | 0 | 112.8 | S46 K47 M48 | S46-K50 WeakPolarHBondContact O-CG 3.13Å; S46-K50 PolarHBondContact O-N 3.32Å; K47-K50 PolarHBondContact O-N 2.68Å; M48-K50 VanDerWaalsContact C-N 3.3Å; M48-K50 PolarHBondContact O-N 3.43Å |
| 51 | N | 68 | Low | 68.9 | Low | 97 Ų | 97 | 72.5 Ų | 72.5 | 52% | 0.519 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | 43.1 | 177.8 | -64.6 | -27 | 0 | 0 | 0 | 110.8 | K47 M48 L53 L54 T55 | K47-N51 PolarHBondContact O-N 3.48Å; M48-N51 CarbonylContact O-C 3.53Å; M48-N51 PolarHBondContact O-N 2.85Å; N51-L53 PolarHBondContact O-N 3.18Å; N51-L54 PolarHBondContact O-N 3.04Å; N51-T55 WeakPolarHBondContact O-CB 3.44Å; N51-T55 PolarHBondContact O-N 2.95Å; N51-T55 PolarHBondContact O-OG1 3Å |
| 52 | L | 75.8 | Confident | 69.7 | Low | 57 Ų | 57 | 72.4 Ų | 72.4 | 30% | 0.298 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.3 | -46.7 | -169.7 | 179.7 | 59.7 | 0 | 0 | 0 | 111.7 | M48 L54 T55 L56 W286 | M48-L52 VanDerWaalsContact O-CA 3.22Å; M48-L52 WeakPolarHBondContact O-CA 3.39Å; M48-L52 PolarHBondContact O-N 3.28Å; L52-L54 PolarHBondContact O-N 3.29Å; L52-T55 PolarHBondContact O-N 3.42Å; L52-L56 HydrophobicContact CD1-CD1 3.97Å; L52-L56 HydrophobicContact CD1-CD2 4.42Å; L52-L56 HydrophobicContact CD1-CG 3.93Å; L52-L56 HydrophobicContact CG-CD1 3.86Å; L52-L56 HydrophobicContact CG-CG 4.26Å; L52-L56 WeakPolarHBondContact O-CB 3.26Å; L52-L56 VanDerWaalsContact O-CG 3.28Å; L52-L56 WeakPolarHBondContact O-CG 3.37Å; L52-L56 PolarHBondContact O-N 3.37Å; L52-W286 HydrophobicContact CD2-CH2 3.95Å; L52-W286 HydrophobicContact CD2-CZ3 4Å; L52-W286 HydrophobicContact CG-CH2 4.31Å; L52-W286 HydrophobicContact CG-CZ3 4.25Å |
| 53 | L | 64.4 | Low | 70.6 | Confident | 52 Ų | 52 | 74.8 Ų | 74.8 | 27% | 0.272 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -58.8 | -50.3 | -179.1 | -176.6 | 63.9 | 0 | 0 | 0 | 111.9 | N51 T55 L56 T57 M285 W286 P289 | N51-L53 PolarHBondContact O-N 3.18Å; L53-T55 VanDerWaalsContact C-N 3.32Å; L53-T55 PolarHBondContact O-N 3.49Å; L53-L56 PolarHBondContact O-N 2.99Å; L53-T57 PolarHBondContact O-N 3.48Å; L53-T57 PolarHBondContact O-OG1 3.34Å; L53-M285 WeakPolarHBondContact CD1-O 3.4Å; L53-M285 HydrophobicContact CD2-CB 4.14Å; L53-W286 HydrophobicContact CD1-CD2 4.26Å; L53-W286 HydrophobicContact CD1-CE3 4.26Å; L53-P289 HydrophobicContact CD1-CG 4.32Å |
| 54 | L | 63.7 | Low | 71.5 | Confident | 48 Ų | 48 | 70.1 Ų | 70.1 | 25% | 0.251 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -59.1 | -44.4 | 176.6 | 173.1 | 57 | 0 | 0 | 0 | 111.7 | N51 L52 T57 V58 G360 R476 | N51-L54 PolarHBondContact O-N 3.04Å; L52-L54 PolarHBondContact O-N 3.29Å; L54-T57 PolarHBondContact O-N 3.5Å; L54-V58 HydrophobicContact CD1-CG2 4.05Å; L54-V58 WeakPolarHBondContact O-CG2 3.26Å; L54-V58 PolarHBondContact O-N 3.29Å; L54-G360 WeakPolarHBondContact CD1-O 3.34Å; L54-R476 VanDerWaalsContact CD1-NH2 3.31Å |
| 55 | T | 73.4 | Confident | 72.2 | Confident | 40 Ų | 40 | 66.6 Ų | 66.6 | 25% | 0.245 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.5 | -44.9 | 179.8 | -54.8 | 0 | 0 | 0 | 0 | 111 | M48 N51 L52 L53 V58 L59 | M48-T55 HydrophobicContact CB-CG2 4.47Å; M48-T55 HydrophobicContact CE-CG2 3.55Å; M48-T55 HydrophobicContact CG-CG2 4.2Å; N51-T55 WeakPolarHBondContact O-CB 3.44Å; N51-T55 PolarHBondContact O-N 2.95Å; N51-T55 PolarHBondContact O-OG1 3Å; L52-T55 PolarHBondContact O-N 3.42Å; L53-T55 VanDerWaalsContact C-N 3.32Å; L53-T55 PolarHBondContact O-N 3.49Å; T55-V58 PolarHBondContact O-N 3.47Å; T55-L59 WeakPolarHBondContact O-CB 3.35Å; T55-L59 PolarHBondContact O-N 3.01Å |
| 56 | L | 80 | Confident | 73.3 | Confident | 65 Ų | 65 | 67 Ų | 67 | 34% | 0.34 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.2 | -43.2 | 176.4 | -71.2 | 173.8 | 0 | 0 | 0 | 111.5 | L52 L53 L59 G60 W286 P289 | L52-L56 HydrophobicContact CD1-CD1 3.97Å; L52-L56 HydrophobicContact CD1-CD2 4.42Å; L52-L56 HydrophobicContact CD1-CG 3.93Å; L52-L56 HydrophobicContact CG-CD1 3.86Å; L52-L56 HydrophobicContact CG-CG 4.26Å; L52-L56 WeakPolarHBondContact O-CB 3.26Å; L52-L56 VanDerWaalsContact O-CG 3.28Å; L52-L56 WeakPolarHBondContact O-CG 3.37Å; L52-L56 PolarHBondContact O-N 3.37Å; L53-L56 PolarHBondContact O-N 2.99Å; L56-L59 PolarHBondContact O-N 3.46Å; L56-G60 PolarHBondContact O-N 3.23Å; L56-W286 HydrophobicContact CD1-CZ3 4.26Å; L56-P289 HydrophobicContact CB-CB 3.84Å; L56-P289 HydrophobicContact CB-CG 3.68Å |
| 57 | T | 68 | Low | 74.4 | Confident | 7 Ų | 7 | 67.4 Ų | 67.4 | 4% | 0.043 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.7 | -45.8 | 178.2 | -54.8 | 0 | 0 | 0 | 0 | 111.7 | L53 L54 L59 G60 V61 I292 | L53-T57 PolarHBondContact O-N 3.48Å; L53-T57 PolarHBondContact O-OG1 3.34Å; L54-T57 PolarHBondContact O-N 3.5Å; T57-L59 VanDerWaalsContact C-N 3.34Å; T57-L59 PolarHBondContact O-N 3.26Å; T57-G60 PolarHBondContact O-N 2.89Å; T57-V61 VanDerWaalsContact O-CG2 3.31Å; T57-V61 WeakPolarHBondContact O-CG2 3.49Å; T57-V61 PolarHBondContact O-N 3.44Å; T57-I292 HydrophobicContact CG2-CD1 3.79Å |
| 58 | V | 72.5 | Confident | 75.4 | Confident | 53 Ų | 53 | 60.1 Ų | 60.1 | 32% | 0.321 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.8 | -42.7 | 177.4 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | L54 T55 V61 I62 | L54-V58 HydrophobicContact CD1-CG2 4.05Å; L54-V58 WeakPolarHBondContact O-CG2 3.26Å; L54-V58 PolarHBondContact O-N 3.29Å; T55-V58 PolarHBondContact O-N 3.47Å; V58-V61 PolarHBondContact O-N 3.45Å; V58-I62 HydrophobicContact CG1-CD1 3.97Å; V58-I62 WeakPolarHBondContact O-CG1 3.45Å; V58-I62 PolarHBondContact O-N 3.36Å |
| 59 | L | 82.2 | Confident | 76.5 | Confident | 89 Ų | 89 | 60.2 Ų | 60.2 | 47% | 0.466 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.4 | -43.6 | 175 | -173.8 | 69.1 | 0 | 0 | 0 | 111.3 | T55 L56 T57 V61 I62 L63 | T55-L59 WeakPolarHBondContact O-CB 3.35Å; T55-L59 PolarHBondContact O-N 3.01Å; L56-L59 PolarHBondContact O-N 3.46Å; T57-L59 VanDerWaalsContact C-N 3.34Å; T57-L59 PolarHBondContact O-N 3.26Å; L59-V61 VanDerWaalsContact C-N 3.33Å; L59-V61 PolarHBondContact O-N 2.93Å; L59-I62 PolarHBondContact O-N 3.18Å; L59-L63 HydrophobicContact CD1-CD1 4.31Å; L59-L63 HydrophobicContact CD1-CG 4.31Å; L59-L63 HydrophobicContact CD2-CD1 4.25Å; L59-L63 HydrophobicContact CG-CD1 3.79Å; L59-L63 HydrophobicContact CG-CG 4.19Å; L59-L63 VanDerWaalsContact O-CB 3.31Å; L59-L63 WeakPolarHBondContact O-CB 2.9Å; L59-L63 VanDerWaalsContact O-CG 3.24Å; L59-L63 WeakPolarHBondContact O-CG 3.37Å; L59-L63 PolarHBondContact O-N 2.98Å |
| 60 | G | 81.3 | Confident | 77.8 | Confident | 7 Ų | 7 | 58.7 Ų | 58.7 | 7% | 0.072 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.9 | -41.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L56 T57 G64 A293 | L56-G60 PolarHBondContact O-N 3.23Å; T57-G60 PolarHBondContact O-N 2.89Å; G60-G64 PolarHBondContact O-N 3.45Å; G60-A293 WeakPolarHBondContact O-CA 3.45Å; G60-A293 WeakPolarHBondContact O-CB 3.31Å |
| 61 | V | 73 | Confident | 79 | Confident | 11 Ų | 11 | 53.7 Ų | 53.7 | 7% | 0.067 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.9 | -51.5 | 173.4 | 168 | 0 | 0 | 0 | 0 | 111.3 | T57 V58 L59 L63 G64 A65 I292 I296 W472 | T57-V61 VanDerWaalsContact O-CG2 3.31Å; T57-V61 WeakPolarHBondContact O-CG2 3.49Å; T57-V61 PolarHBondContact O-N 3.44Å; V58-V61 PolarHBondContact O-N 3.45Å; L59-V61 VanDerWaalsContact C-N 3.33Å; L59-V61 PolarHBondContact O-N 2.93Å; V61-L63 PolarHBondContact O-N 3.49Å; V61-G64 PolarHBondContact O-N 3.18Å; V61-A65 WeakPolarHBondContact O-CB 3.39Å; V61-A65 PolarHBondContact O-N 3.37Å; V61-I292 HydrophobicContact CG2-CG2 3.67Å; V61-I296 HydrophobicContact CB-CD1 4.12Å; V61-I296 HydrophobicContact CG1-CD1 3.97Å; V61-I296 HydrophobicContact CG2-CD1 3.86Å; V61-W472 HydrophobicContact CB-CD2 4.31Å; V61-W472 HydrophobicContact CB-CZ2 4.38Å; V61-W472 HydrophobicContact CG1-CD2 3.97Å; V61-W472 HydrophobicContact CG1-CE3 4.46Å; V61-W472 HydrophobicContact CG1-CH2 3.94Å; V61-W472 HydrophobicContact CG1-CZ2 3.38Å; V61-W472 HydrophobicContact CG1-CZ3 4.44Å; V61-W472 HydrophobicContact CG2-CB 4.45Å; V61-W472 HydrophobicContact CG2-CD2 3.47Å; V61-W472 VanDerWaalsContact CG2-CD2 3.47Å; V61-W472 HydrophobicContact CG2-CE3 3.78Å; V61-W472 HydrophobicContact CG2-CG 3.73Å; V61-W472 HydrophobicContact CG2-CZ2 4.41Å; V61-W472 HydrophobicContact CG2-CZ3 4.34Å |
| 62 | I | 80.6 | Confident | 79.5 | Confident | 94 Ų | 94 | 52.4 Ų | 52.4 | 48% | 0.482 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.3 | -47.2 | -178.5 | -67.8 | 164.9 | 0 | 0 | 0 | 109.9 | V58 L59 A65 V66 | V58-I62 HydrophobicContact CG1-CD1 3.97Å; V58-I62 WeakPolarHBondContact O-CG1 3.45Å; V58-I62 PolarHBondContact O-N 3.36Å; L59-I62 PolarHBondContact O-N 3.18Å; I62-A65 PolarHBondContact O-N 3.07Å; I62-V66 HydrophobicContact CG2-CG2 4.31Å; I62-V66 WeakPolarHBondContact O-CB 3.34Å; I62-V66 VanDerWaalsContact O-CG2 3.28Å; I62-V66 WeakPolarHBondContact O-CG2 3.31Å; I62-V66 PolarHBondContact O-N 3.03Å |
| 63 | L | 87.9 | Confident | 79.9 | Confident | 93 Ų | 93 | 55.8 Ų | 55.8 | 49% | 0.487 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.7 | -43.1 | 178.5 | -72.1 | 175.8 | 0 | 0 | 0 | 111.7 | L59 V61 S67 | L59-L63 HydrophobicContact CD1-CD1 4.31Å; L59-L63 HydrophobicContact CD1-CG 4.31Å; L59-L63 HydrophobicContact CD2-CD1 4.25Å; L59-L63 HydrophobicContact CG-CD1 3.79Å; L59-L63 HydrophobicContact CG-CG 4.19Å; L59-L63 VanDerWaalsContact O-CB 3.31Å; L59-L63 WeakPolarHBondContact O-CB 2.9Å; L59-L63 VanDerWaalsContact O-CG 3.24Å; L59-L63 WeakPolarHBondContact O-CG 3.37Å; L59-L63 PolarHBondContact O-N 2.98Å; V61-L63 PolarHBondContact O-N 3.49Å; L63-S67 WeakPolarHBondContact O-CB 3.38Å; L63-S67 PolarHBondContact O-N 3.47Å; L63-S67 PolarHBondContact O-OG 3.5Å |
| 64 | G | 85.3 | Confident | 80.6 | Confident | 2 Ų | 2 | 56.7 Ų | 56.7 | 2% | 0.021 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.2 | -43.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | G60 V61 G68 A293 C297 | G60-G64 PolarHBondContact O-N 3.45Å; V61-G64 PolarHBondContact O-N 3.18Å; G64-G68 PolarHBondContact O-N 3.25Å; G64-A293 VanDerWaalsContact CA-O 3.3Å; G64-A293 WeakPolarHBondContact CA-O 3.38Å; G64-C297 WeakPolarHBondContact O-CA 3.34Å |
| 65 | A | 81.2 | Confident | 80.7 | Confident | 27 Ų | 27 | 58.1 Ų | 58.1 | 22% | 0.223 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.3 | -49.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | V61 I62 G68 M69 I296 I300 | V61-A65 WeakPolarHBondContact O-CB 3.39Å; V61-A65 PolarHBondContact O-N 3.37Å; I62-A65 PolarHBondContact O-N 3.07Å; A65-G68 PolarHBondContact O-N 3.49Å; A65-M69 WeakPolarHBondContact O-CG 3.48Å; A65-M69 PolarHBondContact O-N 2.93Å; A65-I296 HydrophobicContact CB-CG2 4.21Å; A65-I300 HydrophobicContact CB-CD1 4.16Å |
| 66 | V | 87.8 | Confident | 80.5 | Confident | 67 Ų | 67 | 62.7 Ų | 62.7 | 41% | 0.406 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.6 | -46.9 | 178.4 | 171.9 | 0 | 0 | 0 | 0 | 110.6 | I62 G68 M69 L70 | I62-V66 HydrophobicContact CG2-CG2 4.31Å; I62-V66 WeakPolarHBondContact O-CB 3.34Å; I62-V66 VanDerWaalsContact O-CG2 3.28Å; I62-V66 WeakPolarHBondContact O-CG2 3.31Å; I62-V66 PolarHBondContact O-N 3.03Å; V66-G68 PolarHBondContact O-N 3.18Å; V66-M69 PolarHBondContact O-N 3.38Å; V66-L70 HydrophobicContact CG1-CD1 3.82Å; V66-L70 HydrophobicContact CG1-CG 4.32Å; V66-L70 WeakPolarHBondContact O-CB 3.45Å; V66-L70 VanDerWaalsContact O-CG 3.32Å; V66-L70 WeakPolarHBondContact O-CG 3.23Å; V66-L70 PolarHBondContact O-N 3.34Å |
| 67 | S | 88.8 | Confident | 80.4 | Confident | 49 Ų | 49 | 61.6 Ų | 61.6 | 34% | 0.343 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.7 | -41.9 | 179.6 | -55.6 | 0 | 0 | 0 | 0 | 111.5 | L63 M69 L70 L71 | L63-S67 WeakPolarHBondContact O-CB 3.38Å; L63-S67 PolarHBondContact O-N 3.47Å; L63-S67 PolarHBondContact O-OG 3.5Å; S67-M69 PolarHBondContact O-N 2.9Å; S67-L70 PolarHBondContact O-N 2.68Å; S67-L71 VanDerWaalsContact O-CB 3.23Å; S67-L71 WeakPolarHBondContact O-CB 3.35Å; S67-L71 VanDerWaalsContact O-CG 3.3Å; S67-L71 WeakPolarHBondContact O-CG 3.34Å; S67-L71 PolarHBondContact O-N 2.92Å |
| 68 | G | 85.6 | Confident | 81 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -61.4 | -42.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | G64 A65 V66 R72 | G64-G68 PolarHBondContact O-N 3.25Å; A65-G68 PolarHBondContact O-N 3.49Å; V66-G68 PolarHBondContact O-N 3.18Å; G68-R72 VanDerWaalsContact O-CB 3.31Å; G68-R72 WeakPolarHBondContact O-CB 3.41Å; G68-R72 PolarHBondContact O-N 3.43Å |
| 69 | M | 84.1 | Confident | 81.3 | Confident | 93 Ų | 93 | 68.5 Ų | 68.5 | 46% | 0.458 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -66.6 | -43.2 | 175.6 | -74.2 | -170 | -70.6 | 0 | 0 | 112.5 | A65 V66 S67 R72 V73 I300 L306 | A65-M69 WeakPolarHBondContact O-CG 3.48Å; A65-M69 PolarHBondContact O-N 2.93Å; V66-M69 PolarHBondContact O-N 3.38Å; S67-M69 PolarHBondContact O-N 2.9Å; M69-R72 WeakPolarHBondContact O-CB 3.18Å; M69-R72 PolarHBondContact O-N 3.32Å; M69-V73 WeakPolarHBondContact O-CG2 3.25Å; M69-V73 PolarHBondContact O-N 2.87Å; M69-I300 HydrophobicContact CG-CG2 4.24Å; M69-L306 HydrophobicContact CG-CD2 4.29Å |
| 70 | L | 87.7 | Confident | 81.5 | Confident | 113 Ų | 113 | 68.7 Ų | 68.7 | 59% | 0.592 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -63.3 | -47.1 | 177.8 | -72.5 | 172.1 | 0 | 0 | 0 | 111.6 | V66 S67 R72 V73 A74 | V66-L70 HydrophobicContact CG1-CD1 3.82Å; V66-L70 HydrophobicContact CG1-CG 4.32Å; V66-L70 WeakPolarHBondContact O-CB 3.45Å; V66-L70 VanDerWaalsContact O-CG 3.32Å; V66-L70 WeakPolarHBondContact O-CG 3.23Å; V66-L70 PolarHBondContact O-N 3.34Å; S67-L70 PolarHBondContact O-N 2.68Å; L70-R72 VanDerWaalsContact C-N 3.28Å; L70-R72 PolarHBondContact O-N 2.88Å; L70-V73 PolarHBondContact O-N 2.9Å; L70-V73 VanDerWaalsContact O-N 3.15Å; L70-A74 WeakPolarHBondContact O-CB 3.44Å; L70-A74 PolarHBondContact O-N 3.47Å |
| 71 | L | 87.2 | Confident | 81.6 | Confident | 63 Ų | 63 | 72.9 Ų | 72.9 | 33% | 0.33 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.9 | -35.1 | 178.9 | -79.9 | 173.3 | 0 | 0 | 0 | 112.3 | S67 A74 I77 I85 I301 | S67-L71 VanDerWaalsContact O-CB 3.23Å; S67-L71 WeakPolarHBondContact O-CB 3.35Å; S67-L71 VanDerWaalsContact O-CG 3.3Å; S67-L71 WeakPolarHBondContact O-CG 3.34Å; S67-L71 PolarHBondContact O-N 2.92Å; L71-A74 PolarHBondContact O-N 3.34Å; L71-I77 HydrophobicContact CB-CD1 3.68Å; L71-I77 HydrophobicContact CD2-CD1 4.03Å; L71-I77 HydrophobicContact CG-CD1 4.32Å; L71-I85 HydrophobicContact CD1-CD1 4.15Å; L71-I301 HydrophobicContact CB-CD1 3.84Å; L71-I301 HydrophobicContact CB-CG1 4.17Å; L71-I301 HydrophobicContact CD1-CD1 3.83Å |
| 72 | R | 80.2 | Confident | 82.1 | Confident | 70 Ų | 70 | 72.9 Ų | 72.9 | 26% | 0.264 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.4 | -42 | 173 | -175.2 | -165.5 | -171.9 | 83.1 | 9.6 | 112.7 | G68 M69 L70 A74 I300 I303 K304 | G68-R72 VanDerWaalsContact O-CB 3.31Å; G68-R72 WeakPolarHBondContact O-CB 3.41Å; G68-R72 PolarHBondContact O-N 3.43Å; M69-R72 WeakPolarHBondContact O-CB 3.18Å; M69-R72 PolarHBondContact O-N 3.32Å; L70-R72 VanDerWaalsContact C-N 3.28Å; L70-R72 PolarHBondContact O-N 2.88Å; R72-A74 VanDerWaalsContact C-N 3.34Å; R72-I300 PolarHBondContact NH1-O 2.86Å; R72-I303 PolarHBondContact NH1-O 2.94Å; R72-I303 PolarHBondContact NH2-O 3.12Å; R72-K304 PolarHBondContact NH2-O 3.44Å |
| 73 | V | 82.9 | Confident | 82.2 | Confident | 129 Ų | 129 | 74.3 Ų | 74.3 | 78% | 0.782 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -73.6 | -29.4 | 179.7 | 176 | 0 | 0 | 0 | 0 | 111.4 | M69 L70 S75 | M69-V73 WeakPolarHBondContact O-CG2 3.25Å; M69-V73 PolarHBondContact O-N 2.87Å; L70-V73 PolarHBondContact O-N 2.9Å; L70-V73 VanDerWaalsContact O-N 3.15Å; V73-S75 PolarHBondContact O-N 3.35Å |
| 74 | A | 79.4 | Confident | 82.3 | Confident | 70 Ų | 70 | 75 Ų | 75 | 58% | 0.579 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -71.7 | -25.7 | -170.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | L70 L71 R72 | L70-A74 WeakPolarHBondContact O-CB 3.44Å; L70-A74 PolarHBondContact O-N 3.47Å; L71-A74 PolarHBondContact O-N 3.34Å; R72-A74 VanDerWaalsContact C-N 3.34Å |
| 75 | S | 65.4 | Low | 82.4 | Confident | 79 Ų | 79 | 76.9 Ų | 76.9 | 55% | 0.552 | 44% | 0.442 | S | S | * | . | trans | 165.7 | 165.7 | 167.2 | -85.1 | 0 | 0 | 0 | 0 | 110.2 | V73 I77 | V73-S75 PolarHBondContact O-N 3.35Å; S75-I77 PolarHBondContact O-N 2.93Å | ||
| 76 | P | 70.2 | Confident | 82.3 | Confident | 136 Ų | 136 | 76.3 Ų | 76.3 | 88% | 0.883 | 44% | 0.437 | S | S | * | . | trans | -60.3 | 110.6 | 170.7 | -16.1 | 28.6 | 0 | 0 | 0 | 110.2 | ||||
| 77 | I | 76.4 | Confident | 82.3 | Confident | 42 Ų | 42 | 78.6 Ų | 78.6 | 22% | 0.215 | 44% | 0.442 | C | S | . | . | trans | -79.1 | 133.3 | 179.4 | -61.9 | -179.7 | 0 | 0 | 0 | 108.8 | L71 S75 I81 V82 I301 | L71-I77 HydrophobicContact CB-CD1 3.68Å; L71-I77 HydrophobicContact CD2-CD1 4.03Å; L71-I77 HydrophobicContact CG-CD1 4.32Å; S75-I77 PolarHBondContact O-N 2.93Å; I77-I81 HydrophobicContact CG2-CB 3.62Å; I77-I81 HydrophobicContact CG2-CD1 4.4Å; I77-I81 HydrophobicContact CG2-CG2 3.69Å; I77-V82 HydrophobicContact CB-CG2 4.14Å; I77-V82 HydrophobicContact CG2-CG2 3.7Å; I77-I301 HydrophobicContact CB-CG2 4.2Å; I77-I301 HydrophobicContact CD1-CD1 4.13Å; I77-I301 HydrophobicContact CD1-CG2 4.08Å | ||
| 78 | H | 81.7 | Confident | 82.2 | Confident | 111 Ų | 111 | 77.3 Ų | 77.3 | 51% | 0.514 | 43% | 0.432 | S | S | . | . | trans | -59.3 | 136.9 | 175.3 | -164.8 | -93.3 | 0 | 0 | 0 | 110.5 | D80 I81 V82 | H78-D80 IonicContact CE1-OD2 3.83Å; H78-D80 PolarHBondContact CE1-OD2 2.86Å; H78-D80 PolarHBondContact ND1-N 3.5Å; H78-D80 IonicContact ND1-OD2 3.71Å; H78-D80 PolarHBondContact ND1-OD2 3.4Å; H78-D80 VanDerWaalsContact ND1-OD2 3.14Å; H78-D80 PolarHBondContact O-N 2.95Å; H78-D80 VanDerWaalsContact O-N 3.07Å; H78-I81 HydrophobicContact CB-CD1 4.21Å; H78-I81 HydrophobicContact CB-CG1 4.38Å; H78-I81 WeakPolarHBondContact O-CB 3.37Å; H78-I81 PolarHBondContact O-N 2.94Å; H78-V82 PolarHBondContact O-N 3.01Å | ||
| 79 | P | 79.1 | Confident | 81.6 | Confident | 93 Ų | 93 | 77.3 Ų | 77.3 | 60% | 0.604 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -51.2 | -36.3 | -176.6 | -30 | 35.6 | 0 | 0 | 0 | 114.8 | I81 V82 M83 | P79-I81 VanDerWaalsContact C-N 3.32Å; P79-I81 PolarHBondContact O-N 3.31Å; P79-V82 WeakPolarHBondContact O-CB 3.47Å; P79-V82 PolarHBondContact O-N 3.02Å; P79-V82 VanDerWaalsContact O-N 3.17Å; P79-M83 PolarHBondContact O-N 2.9Å |
| 80 | D | 85 | Confident | 80.9 | Confident | 94 Ų | 94 | 76.3 Ų | 76.3 | 50% | 0.503 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.5 | -36.2 | 178.7 | -58.7 | -25.9 | 0 | 0 | 0 | 112.9 | H78 V82 M83 V84 | H78-D80 IonicContact CE1-OD2 3.83Å; H78-D80 PolarHBondContact CE1-OD2 2.86Å; H78-D80 PolarHBondContact ND1-N 3.5Å; H78-D80 IonicContact ND1-OD2 3.71Å; H78-D80 PolarHBondContact ND1-OD2 3.4Å; H78-D80 VanDerWaalsContact ND1-OD2 3.14Å; H78-D80 PolarHBondContact O-N 2.95Å; H78-D80 VanDerWaalsContact O-N 3.07Å; D80-V82 VanDerWaalsContact C-N 3.33Å; D80-M83 WeakPolarHBondContact O-CB 3.41Å; D80-M83 PolarHBondContact O-N 3.45Å; D80-V84 WeakPolarHBondContact O-CG2 3.46Å; D80-V84 PolarHBondContact O-N 3.22Å |
| 81 | I | 85.2 | Confident | 80.6 | Confident | 94 Ų | 94 | 73.5 Ų | 73.5 | 48% | 0.482 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -69 | -38.6 | 177.1 | -60 | 173.6 | 0 | 0 | 0 | 109.4 | I77 H78 P79 M83 V84 I85 | I77-I81 HydrophobicContact CG2-CB 3.62Å; I77-I81 HydrophobicContact CG2-CD1 4.4Å; I77-I81 HydrophobicContact CG2-CG2 3.69Å; H78-I81 HydrophobicContact CB-CD1 4.21Å; H78-I81 HydrophobicContact CB-CG1 4.38Å; H78-I81 WeakPolarHBondContact O-CB 3.37Å; H78-I81 PolarHBondContact O-N 2.94Å; P79-I81 VanDerWaalsContact C-N 3.32Å; P79-I81 PolarHBondContact O-N 3.31Å; I81-M83 VanDerWaalsContact C-N 3.3Å; I81-M83 PolarHBondContact O-N 3.26Å; I81-V84 PolarHBondContact O-N 3.37Å; I81-I85 HydrophobicContact CG2-CD1 3.96Å; I81-I85 HydrophobicContact CG2-CG1 4.47Å; I81-I85 VanDerWaalsContact O-CG1 3.29Å; I81-I85 WeakPolarHBondContact O-CG1 3.44Å; I81-I85 PolarHBondContact O-N 2.96Å |
| 82 | V | 82.3 | Confident | 79.9 | Confident | 12 Ų | 12 | 70.8 Ų | 70.8 | 7% | 0.073 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -62.5 | -40.3 | 175.2 | -172.2 | 0 | 0 | 0 | 0 | 110.8 | I77 H78 P79 D80 I85 A86 G298 I301 S302 | I77-V82 HydrophobicContact CB-CG2 4.14Å; I77-V82 HydrophobicContact CG2-CG2 3.7Å; H78-V82 PolarHBondContact O-N 3.01Å; P79-V82 WeakPolarHBondContact O-CB 3.47Å; P79-V82 PolarHBondContact O-N 3.02Å; P79-V82 VanDerWaalsContact O-N 3.17Å; D80-V82 VanDerWaalsContact C-N 3.33Å; V82-I85 PolarHBondContact O-N 2.96Å; V82-A86 WeakPolarHBondContact O-CB 3.47Å; V82-A86 PolarHBondContact O-N 3.06Å; V82-G298 WeakPolarHBondContact CG1-O 3.28Å; V82-I301 HydrophobicContact CG1-CB 4.29Å; V82-I301 HydrophobicContact CG1-CG2 4.27Å; V82-I301 HydrophobicContact CG2-CB 4.47Å; V82-I301 HydrophobicContact CG2-CG2 3.61Å; V82-S302 WeakPolarHBondContact CG1-OG 3.31Å |
| 83 | M | 83.1 | Confident | 79.1 | Confident | 123 Ų | 123 | 69 Ų | 69 | 61% | 0.606 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -60.3 | -46.2 | 174.3 | -173.4 | -171.5 | -63.2 | 0 | 0 | 111.6 | P79 D80 I81 I85 A86 F87 | P79-M83 PolarHBondContact O-N 2.9Å; D80-M83 WeakPolarHBondContact O-CB 3.41Å; D80-M83 PolarHBondContact O-N 3.45Å; I81-M83 VanDerWaalsContact C-N 3.3Å; I81-M83 PolarHBondContact O-N 3.26Å; M83-I85 VanDerWaalsContact C-N 3.34Å; M83-I85 PolarHBondContact O-N 2.92Å; M83-A86 PolarHBondContact O-N 2.82Å; M83-F87 WeakPolarHBondContact O-CB 3.45Å; M83-F87 PolarHBondContact O-N 3.48Å |
| 84 | V | 89.6 | Confident | 78.6 | Confident | 108 Ų | 108 | 71.4 Ų | 71.4 | 66% | 0.655 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -63 | -40.6 | 178 | 173.4 | 0 | 0 | 0 | 0 | 111.6 | D80 I81 F87 | D80-V84 WeakPolarHBondContact O-CG2 3.46Å; D80-V84 PolarHBondContact O-N 3.22Å; I81-V84 PolarHBondContact O-N 3.37Å; V84-F87 PolarHBondContact O-N 3.49Å |
| 85 | I | 87.6 | Confident | 78.3 | Confident | 41 Ų | 41 | 70.4 Ų | 70.4 | 21% | 0.21 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.3 | -41.4 | 176.3 | -68.7 | 168 | 0 | 0 | 0 | 111 | L71 I81 V82 M83 C294 C297 I301 | L71-I85 HydrophobicContact CD1-CD1 4.15Å; I81-I85 HydrophobicContact CG2-CD1 3.96Å; I81-I85 HydrophobicContact CG2-CG1 4.47Å; I81-I85 VanDerWaalsContact O-CG1 3.29Å; I81-I85 WeakPolarHBondContact O-CG1 3.44Å; I81-I85 PolarHBondContact O-N 2.96Å; V82-I85 PolarHBondContact O-N 2.96Å; M83-I85 VanDerWaalsContact C-N 3.34Å; M83-I85 PolarHBondContact O-N 2.92Å; I85-C294 VanDerWaalsContact O-CB 3.26Å; I85-C294 WeakPolarHBondContact O-CB 3.21Å; I85-C297 HydrophobicContact CG2-CB 4.16Å; I85-I301 HydrophobicContact CD1-CD1 4.19Å |
| 86 | A | 79.9 | Confident | 78.1 | Confident | 15 Ų | 15 | 67.5 Ų | 67.5 | 12% | 0.124 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -77.8 | -21.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | V82 M83 G89 D90 | V82-A86 WeakPolarHBondContact O-CB 3.47Å; V82-A86 PolarHBondContact O-N 3.06Å; M83-A86 PolarHBondContact O-N 2.82Å; A86-G89 VanDerWaalsContact O-CA 3.3Å; A86-G89 WeakPolarHBondContact O-CA 3.28Å; A86-G89 PolarHBondContact O-N 3.43Å; A86-D90 PolarHBondContact O-N 3.42Å; A86-D90 VanDerWaalsContact O-N 3.1Å |
| 87 | F | 86.8 | Confident | 77.8 | Confident | 116 Ų | 116 | 66.6 Ų | 66.6 | 51% | 0.509 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -53.8 | -43.5 | -171.5 | -179.7 | -101.9 | 0 | 0 | 0 | 115.1 | M83 V84 G89 D90 I91 | M83-F87 WeakPolarHBondContact O-CB 3.45Å; M83-F87 PolarHBondContact O-N 3.48Å; V84-F87 PolarHBondContact O-N 3.49Å; F87-G89 PolarHBondContact O-N 2.94Å; F87-D90 PolarHBondContact O-N 3.09Å; F87-D90 VanDerWaalsContact O-N 3.08Å; F87-I91 HydrophobicContact CD1-CG1 4.24Å; F87-I91 HydrophobicContact CE1-CD1 4.19Å; F87-I91 HydrophobicContact CE1-CG1 3.8Å; F87-I91 HydrophobicContact CE2-CD1 4.26Å; F87-I91 HydrophobicContact CE2-CG1 4.3Å; F87-I91 HydrophobicContact CZ-CD1 3.77Å; F87-I91 HydrophobicContact CZ-CG1 3.84Å; F87-I91 WeakPolarHBondContact O-CG1 3.14Å; F87-I91 PolarHBondContact O-N 2.63Å |
| 88 | P | 87.6 | Confident | 77.9 | Confident | 22 Ų | 22 | 70.4 Ų | 70.4 | 14% | 0.143 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.1 | -34.2 | 173.8 | -25.7 | 36.7 | 0 | 0 | 0 | 113.3 | L92 Y287 F290 C294 | P88-L92 PolarHBondContact O-N 3.27Å; P88-L92 VanDerWaalsContact O-N 3.1Å; P88-Y287 WeakPolarHBondContact CA-OH 3.28Å; P88-Y287 WeakPolarHBondContact CB-OH 3.47Å; P88-Y287 WeakPolarHBondContact O-CE1 3.4Å; P88-Y287 PolarHBondContact O-OH 3.15Å; P88-F290 HydrophobicContact CB-CD1 4.13Å; P88-F290 HydrophobicContact CB-CE1 3.62Å; P88-F290 HydrophobicContact CB-CZ 4.29Å; P88-F290 HydrophobicContact CG-CE1 3.92Å; P88-F290 HydrophobicContact CG-CZ 4.2Å; P88-C294 HydrophobicContact CB-CB 3.93Å; P88-C294 HydrophobicContact CG-CB 4.19Å |
| 89 | G | 71.8 | Confident | 77.4 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.8 | -43.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | A86 F87 I91 L92 M93 G291 | A86-G89 VanDerWaalsContact O-CA 3.3Å; A86-G89 WeakPolarHBondContact O-CA 3.28Å; A86-G89 PolarHBondContact O-N 3.43Å; F87-G89 PolarHBondContact O-N 2.94Å; G89-I91 VanDerWaalsContact C-N 3.32Å; G89-I91 PolarHBondContact O-N 3.37Å; G89-L92 WeakPolarHBondContact O-CB 3.4Å; G89-L92 PolarHBondContact O-N 3.48Å; G89-M93 WeakPolarHBondContact O-CG 3.48Å; G89-M93 PolarHBondContact O-N 2.98Å; G89-G291 VanDerWaalsContact CA-O 3.27Å; G89-G291 WeakPolarHBondContact CA-O 3.4Å |
| 90 | D | 70.3 | Confident | 76.8 | Confident | 71 Ų | 71 | 61.7 Ų | 61.7 | 38% | 0.38 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.2 | -36.9 | 177.2 | -70.3 | -24.1 | 0 | 0 | 0 | 112.2 | A86 F87 M93 R94 | A86-D90 PolarHBondContact O-N 3.42Å; A86-D90 VanDerWaalsContact O-N 3.1Å; F87-D90 PolarHBondContact O-N 3.09Å; F87-D90 VanDerWaalsContact O-N 3.08Å; D90-M93 PolarHBondContact O-N 3.39Å; D90-R94 WeakPolarHBondContact O-CG 3.38Å; D90-R94 PolarHBondContact O-N 3.32Å |
| 91 | I | 82.1 | Confident | 76.5 | Confident | 55 Ų | 55 | 59.3 Ų | 59.3 | 28% | 0.282 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.6 | -44.3 | 173.1 | -68.4 | -69 | 0 | 0 | 0 | 111 | F87 G89 M93 R94 M95 Y287 | F87-I91 HydrophobicContact CD1-CG1 4.24Å; F87-I91 HydrophobicContact CE1-CD1 4.19Å; F87-I91 HydrophobicContact CE1-CG1 3.8Å; F87-I91 HydrophobicContact CE2-CD1 4.26Å; F87-I91 HydrophobicContact CE2-CG1 4.3Å; F87-I91 HydrophobicContact CZ-CD1 3.77Å; F87-I91 HydrophobicContact CZ-CG1 3.84Å; F87-I91 WeakPolarHBondContact O-CG1 3.14Å; F87-I91 PolarHBondContact O-N 2.63Å; G89-I91 VanDerWaalsContact C-N 3.32Å; G89-I91 PolarHBondContact O-N 3.37Å; I91-M93 VanDerWaalsContact C-N 3.32Å; I91-M93 PolarHBondContact O-N 3.46Å; I91-R94 PolarHBondContact O-N 2.9Å; I91-M95 HydrophobicContact CG2-CE 4.06Å; I91-M95 HydrophobicContact CG2-CG 4.47Å; I91-M95 HydrophobicContact CG2-SD 4.39Å; I91-M95 WeakPolarHBondContact O-CG 3.47Å; I91-M95 PolarHBondContact O-N 3.43Å; I91-Y287 HydrophobicContact CG2-CE1 4.39Å |
| 92 | L | 71.9 | Confident | 76.3 | Confident | 5 Ų | 5 | 56.7 Ų | 56.7 | 3% | 0.026 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -54.7 | -49 | 173.6 | 174.2 | 65 | 0 | 0 | 0 | 111 | P88 G89 R94 M95 L96 I284 Y287 I292 | P88-L92 PolarHBondContact O-N 3.27Å; P88-L92 VanDerWaalsContact O-N 3.1Å; G89-L92 WeakPolarHBondContact O-CB 3.4Å; G89-L92 PolarHBondContact O-N 3.48Å; L92-R94 VanDerWaalsContact C-N 3.31Å; L92-R94 PolarHBondContact O-N 3.15Å; L92-M95 HydrophobicContact CD1-CE 4.46Å; L92-M95 PolarHBondContact O-N 3.2Å; L92-L96 HydrophobicContact CD1-CD1 4.23Å; L92-L96 HydrophobicContact CD1-CG 4.31Å; L92-L96 HydrophobicContact CG-CD1 4.23Å; L92-L96 WeakPolarHBondContact O-CG 3.49Å; L92-L96 PolarHBondContact O-N 2.88Å; L92-I284 HydrophobicContact CD1-CG2 3.88Å; L92-Y287 HydrophobicContact CB-CD1 4.06Å; L92-Y287 HydrophobicContact CB-CE1 3.86Å; L92-Y287 HydrophobicContact CD1-CD1 4.03Å; L92-I292 HydrophobicContact CD2-CG1 3.83Å |
| 93 | M | 63 | Low | 75.7 | Confident | 32 Ų | 32 | 56.3 Ų | 56.3 | 16% | 0.158 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.6 | -37 | 179.9 | -64.3 | -55.2 | -67.7 | 0 | 0 | 112.6 | G89 D90 I91 K97 L295 L447 V468 | G89-M93 WeakPolarHBondContact O-CG 3.48Å; G89-M93 PolarHBondContact O-N 2.98Å; D90-M93 PolarHBondContact O-N 3.39Å; I91-M93 VanDerWaalsContact C-N 3.32Å; I91-M93 PolarHBondContact O-N 3.46Å; M93-K97 WeakPolarHBondContact O-CB 3.43Å; M93-K97 VanDerWaalsContact O-CG 3.29Å; M93-K97 WeakPolarHBondContact O-CG 3.34Å; M93-K97 PolarHBondContact O-N 2.94Å; M93-L295 HydrophobicContact CG-CD1 3.75Å; M93-L295 HydrophobicContact SD-CD1 4.14Å; M93-L447 HydrophobicContact CE-CD1 4.34Å; M93-V468 HydrophobicContact CE-CG1 4.3Å; M93-V468 HydrophobicContact CE-CG2 4.19Å; M93-V468 HydrophobicContact SD-CG1 4Å |
| 94 | R | 72.1 | Confident | 75.1 | Confident | 181 Ų | 181 | 50.5 Ų | 50.5 | 68% | 0.683 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -66.8 | -43.5 | 175.6 | -73.2 | 171.9 | 179.8 | -100.4 | 2 | 112.1 | D90 I91 L92 L96 K97 M98 | D90-R94 WeakPolarHBondContact O-CG 3.38Å; D90-R94 PolarHBondContact O-N 3.32Å; I91-R94 PolarHBondContact O-N 2.9Å; L92-R94 VanDerWaalsContact C-N 3.31Å; L92-R94 PolarHBondContact O-N 3.15Å; R94-L96 VanDerWaalsContact C-N 3.34Å; R94-L96 PolarHBondContact O-N 3.43Å; R94-K97 PolarHBondContact O-N 2.88Å; R94-M98 PolarHBondContact O-N 3.46Å |
| 95 | M | 73.6 | Confident | 74.7 | Confident | 49 Ų | 49 | 46.7 Ų | 46.7 | 24% | 0.241 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.5 | -42.7 | 176.6 | -70.5 | -171.3 | -63 | 0 | 0 | 111.6 | I91 L92 M98 I284 Y287 | I91-M95 HydrophobicContact CG2-CE 4.06Å; I91-M95 HydrophobicContact CG2-CG 4.47Å; I91-M95 HydrophobicContact CG2-SD 4.39Å; I91-M95 WeakPolarHBondContact O-CG 3.47Å; I91-M95 PolarHBondContact O-N 3.43Å; L92-M95 HydrophobicContact CD1-CE 4.46Å; L92-M95 PolarHBondContact O-N 3.2Å; M95-M98 PolarHBondContact O-N 3.4Å; M95-I284 HydrophobicContact CB-CD1 3.87Å; M95-I284 HydrophobicContact CB-CG1 4.04Å; M95-I284 HydrophobicContact CB-CG2 4.18Å; M95-I284 HydrophobicContact CE-CG2 4.3Å; M95-I284 HydrophobicContact SD-CG1 4.09Å; M95-Y287 HydrophobicContact CE-CD1 3.27Å; M95-Y287 HydrophobicContact CE-CE1 3.61Å; M95-Y287 HydrophobicContact CE-CG 3.91Å |
| 96 | L | 61.8 | Low | 74.3 | Confident | 18 Ų | 18 | 44.8 Ų | 44.8 | 9% | 0.094 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.9 | -46.8 | 175.5 | -67.8 | 174.9 | 0 | 0 | 0 | 111.5 | L92 R94 M98 L99 I284 | L92-L96 HydrophobicContact CD1-CD1 4.23Å; L92-L96 HydrophobicContact CD1-CG 4.31Å; L92-L96 HydrophobicContact CG-CD1 4.23Å; L92-L96 WeakPolarHBondContact O-CG 3.49Å; L92-L96 PolarHBondContact O-N 2.88Å; R94-L96 VanDerWaalsContact C-N 3.34Å; R94-L96 PolarHBondContact O-N 3.43Å; L96-M98 VanDerWaalsContact C-N 3.29Å; L96-M98 PolarHBondContact O-N 3.04Å; L96-L99 PolarHBondContact O-N 3.38Å; L96-L99 VanDerWaalsContact O-N 3.16Å; L96-I284 HydrophobicContact CD2-CG2 3.82Å; L96-I284 HydrophobicContact CG-CG2 4.3Å |
| 97 | K | 62.3 | Low | 73.9 | Confident | 117 Ų | 117 | 44.6 Ų | 44.6 | 51% | 0.509 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -58.5 | -38.3 | 178.2 | -77.4 | 176.6 | 179.7 | -176.9 | 0 | 113.3 | M93 R94 L99 I100 V448 | M93-K97 WeakPolarHBondContact O-CB 3.43Å; M93-K97 VanDerWaalsContact O-CG 3.29Å; M93-K97 WeakPolarHBondContact O-CG 3.34Å; M93-K97 PolarHBondContact O-N 2.94Å; R94-K97 PolarHBondContact O-N 2.88Å; K97-L99 VanDerWaalsContact C-N 3.28Å; K97-L99 PolarHBondContact O-N 2.96Å; K97-I100 PolarHBondContact O-N 3.16Å; K97-V448 HydrophobicContact CG-CG1 4.34Å; K97-V448 HydrophobicContact CG-CG2 4.11Å |
| 98 | M | 79.7 | Confident | 73.2 | Confident | 122 Ų | 122 | 39.2 Ų | 39.2 | 60% | 0.601 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -61 | -35.8 | 178.6 | 179.9 | -171.3 | 70.8 | 0 | 0 | 112.6 | R94 M95 L96 I100 P102 | R94-M98 PolarHBondContact O-N 3.46Å; M95-M98 PolarHBondContact O-N 3.4Å; L96-M98 VanDerWaalsContact C-N 3.29Å; L96-M98 PolarHBondContact O-N 3.04Å; M98-I100 VanDerWaalsContact C-N 3.3Å; M98-I100 PolarHBondContact O-N 3.4Å; M98-P102 WeakPolarHBondContact O-CD 3.2Å |
| 99 | L | 69.9 | Low | 72.8 | Confident | 4 Ų | 4 | 38.1 Ų | 38.1 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -78.8 | -13.2 | -176.4 | -67.1 | -171.3 | 0 | 0 | 0 | 114.1 | L96 K97 P102 L103 V277 L280 V281 I284 | L96-L99 PolarHBondContact O-N 3.38Å; L96-L99 VanDerWaalsContact O-N 3.16Å; K97-L99 VanDerWaalsContact C-N 3.28Å; K97-L99 PolarHBondContact O-N 2.96Å; L99-P102 WeakPolarHBondContact O-CD 3.23Å; L99-P102 WeakPolarHBondContact O-CG 3.46Å; L99-L103 WeakPolarHBondContact O-CB 3.36Å; L99-L103 PolarHBondContact O-N 3.46Å; L99-L103 VanDerWaalsContact O-N 3.12Å; L99-V277 HydrophobicContact CD2-CG1 4.43Å; L99-L280 HydrophobicContact CD1-CB 4.19Å; L99-L280 HydrophobicContact CD2-CB 4.04Å; L99-L280 HydrophobicContact CD2-CD1 3.93Å; L99-V281 HydrophobicContact CD1-CB 4.27Å; L99-V281 HydrophobicContact CD1-CG2 3.52Å; L99-I284 HydrophobicContact CD1-CD1 3.42Å; L99-I284 VanDerWaalsContact CD1-CD1 3.42Å; L99-I284 HydrophobicContact CG-CD1 4.02Å |
| 100 | I | 67.9 | Low | 72.9 | Confident | 16 Ų | 16 | 39.7 Ų | 39.7 | 8% | 0.082 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64 | -51.1 | -173.3 | -66 | 173.7 | 0 | 0 | 0 | 111.4 | K97 M98 L103 I104 M240 V448 | K97-I100 PolarHBondContact O-N 3.16Å; M98-I100 VanDerWaalsContact C-N 3.3Å; M98-I100 PolarHBondContact O-N 3.4Å; I100-L103 PolarHBondContact O-N 3.21Å; I100-I104 HydrophobicContact CG2-CD1 3.44Å; I100-I104 VanDerWaalsContact CG2-CD1 3.44Å; I100-I104 HydrophobicContact CG2-CG1 4.02Å; I100-I104 WeakPolarHBondContact O-CB 3.5Å; I100-I104 VanDerWaalsContact O-CG1 3.27Å; I100-I104 WeakPolarHBondContact O-CG1 3.23Å; I100-I104 PolarHBondContact O-N 3.24Å; I100-M240 HydrophobicContact CB-CE 4.01Å; I100-M240 HydrophobicContact CG2-CE 3.5Å; I100-M240 VanDerWaalsContact CG2-CE 3.5Å; I100-V448 HydrophobicContact CD1-CB 3.3Å; I100-V448 HydrophobicContact CD1-CG1 3.12Å; I100-V448 HydrophobicContact CD1-CG2 3.52Å |
| 101 | L | 77.4 | Confident | 72.8 | Confident | 44 Ų | 44 | 37 Ų | 37 | 23% | 0.23 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -56.2 | -57.3 | -178 | 179.2 | 64.1 | 0 | 0 | 0 | 112.7 | L103 I104 I105 C191 M240 L245 | L101-L103 PolarHBondContact O-N 2.99Å; L101-I104 PolarHBondContact O-N 2.86Å; L101-I105 HydrophobicContact CD1-CD1 3.69Å; L101-I105 HydrophobicContact CD1-CG1 4.26Å; L101-I105 HydrophobicContact CG-CD1 4.02Å; L101-I105 VanDerWaalsContact O-CG1 3.24Å; L101-I105 WeakPolarHBondContact O-CG1 3.3Å; L101-I105 PolarHBondContact O-N 3.03Å; L101-I105 VanDerWaalsContact O-N 3.16Å; L101-C191 HydrophobicContact CD2-CB 3.91Å; L101-M240 HydrophobicContact CB-SD 3.92Å; L101-M240 HydrophobicContact CD1-SD 4.06Å; L101-M240 HydrophobicContact CG-SD 4.48Å; L101-L245 HydrophobicContact CD1-CD1 3.45Å; L101-L245 VanDerWaalsContact CD1-CD1 3.45Å; L101-L245 HydrophobicContact CD1-CD2 4.4Å |
| 102 | P | 80.9 | Confident | 72.4 | Confident | 39 Ų | 39 | 34.9 Ų | 34.9 | 25% | 0.253 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -65 | -30.9 | -179 | 26.6 | -35.5 | 0 | 0 | 0 | 112.4 | M98 L99 S106 V277 | M98-P102 WeakPolarHBondContact O-CD 3.2Å; L99-P102 WeakPolarHBondContact O-CD 3.23Å; L99-P102 WeakPolarHBondContact O-CG 3.46Å; P102-S106 VanDerWaalsContact O-CB 3.29Å; P102-S106 WeakPolarHBondContact O-CB 3.49Å; P102-S106 PolarHBondContact O-N 2.68Å; P102-S106 PolarHBondContact O-OG 3.04Å; P102-V277 HydrophobicContact CB-CG2 3.91Å; P102-V277 HydrophobicContact CG-CG2 4.29Å |
| 103 | L | 69.6 | Low | 72.3 | Confident | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.021 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -70.7 | -46.9 | 178.3 | -169.2 | 50.4 | 0 | 0 | 0 | 111.9 | L99 I100 L101 I105 S106 S107 N274 V277 M278 V281 A440 I442 | L99-L103 WeakPolarHBondContact O-CB 3.36Å; L99-L103 PolarHBondContact O-N 3.46Å; L99-L103 VanDerWaalsContact O-N 3.12Å; I100-L103 PolarHBondContact O-N 3.21Å; L101-L103 PolarHBondContact O-N 2.99Å; L103-I105 VanDerWaalsContact C-N 3.34Å; L103-I105 PolarHBondContact O-N 2.92Å; L103-S106 PolarHBondContact O-N 3.36Å; L103-S106 PolarHBondContact O-OG 3.39Å; L103-S107 WeakPolarHBondContact O-CB 3.33Å; L103-S107 PolarHBondContact O-N 3.14Å; L103-S107 PolarHBondContact O-OG 3.31Å; L103-N274 WeakPolarHBondContact CD1-OD1 3.31Å; L103-V277 HydrophobicContact CB-CG1 3.91Å; L103-V277 HydrophobicContact CD1-CG1 4.02Å; L103-V277 HydrophobicContact CD2-CG1 4.49Å; L103-V277 HydrophobicContact CG-CG1 4.38Å; L103-M278 HydrophobicContact CD1-SD 4.07Å; L103-V281 HydrophobicContact CD2-CG2 4.43Å; L103-A440 HydrophobicContact CB-CB 4.47Å; L103-A440 HydrophobicContact CD2-CB 3.27Å; L103-A440 HydrophobicContact CG-CB 3.64Å; L103-I442 HydrophobicContact CD2-CD1 3.67Å; L103-I442 HydrophobicContact CD2-CG1 4.15Å; L103-I442 HydrophobicContact CD2-CG2 3.94Å |
| 104 | I | 70.6 | Confident | 72.2 | Confident | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -57 | -49.1 | 176.4 | -71.7 | -178.5 | 0 | 0 | 0 | 110.3 | I100 L101 S107 L108 V242 I246 G438 | I100-I104 HydrophobicContact CG2-CD1 3.44Å; I100-I104 VanDerWaalsContact CG2-CD1 3.44Å; I100-I104 HydrophobicContact CG2-CG1 4.02Å; I100-I104 WeakPolarHBondContact O-CB 3.5Å; I100-I104 VanDerWaalsContact O-CG1 3.27Å; I100-I104 WeakPolarHBondContact O-CG1 3.23Å; I100-I104 PolarHBondContact O-N 3.24Å; L101-I104 PolarHBondContact O-N 2.86Å; I104-S107 PolarHBondContact O-OG 2.97Å; I104-L108 HydrophobicContact CG2-CD1 3.63Å; I104-L108 HydrophobicContact CG2-CG 4.38Å; I104-L108 VanDerWaalsContact O-CB 3.25Å; I104-L108 WeakPolarHBondContact O-CB 3.37Å; I104-L108 VanDerWaalsContact O-CG 3.24Å; I104-L108 WeakPolarHBondContact O-CG 3.49Å; I104-L108 PolarHBondContact O-N 3.14Å; I104-V242 HydrophobicContact CD1-CG1 3.68Å; I104-I246 HydrophobicContact CG2-CG1 4.13Å; I104-G438 WeakPolarHBondContact CD1-O 3.36Å; I104-G438 VanDerWaalsContact CG1-O 3.3Å; I104-G438 WeakPolarHBondContact CG1-O 3.36Å |
| 105 | I | 82.3 | Confident | 71.6 | Confident | 28 Ų | 28 | 29.2 Ų | 29.2 | 14% | 0.144 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62 | -53.8 | -177.7 | -63.3 | 176.4 | 0 | 0 | 0 | 110.5 | L101 L103 I109 F249 F270 | L101-I105 HydrophobicContact CD1-CD1 3.69Å; L101-I105 HydrophobicContact CD1-CG1 4.26Å; L101-I105 HydrophobicContact CG-CD1 4.02Å; L101-I105 VanDerWaalsContact O-CG1 3.24Å; L101-I105 WeakPolarHBondContact O-CG1 3.3Å; L101-I105 PolarHBondContact O-N 3.03Å; L101-I105 VanDerWaalsContact O-N 3.16Å; L103-I105 VanDerWaalsContact C-N 3.34Å; L103-I105 PolarHBondContact O-N 2.92Å; I105-I109 HydrophobicContact CG2-CD1 3.7Å; I105-I109 WeakPolarHBondContact O-CB 3.48Å; I105-I109 WeakPolarHBondContact O-CD1 3.14Å; I105-I109 WeakPolarHBondContact O-CG1 3.49Å; I105-I109 PolarHBondContact O-N 3.04Å; I105-F249 HydrophobicContact CB-CD2 4.44Å; I105-F249 HydrophobicContact CB-CE2 4.35Å; I105-F249 HydrophobicContact CB-CZ 4.45Å; I105-F249 HydrophobicContact CD1-CD2 4.46Å; I105-F249 HydrophobicContact CD1-CE2 3.67Å; I105-F249 HydrophobicContact CD1-CZ 3.85Å; I105-F249 HydrophobicContact CG1-CD2 3.74Å; I105-F249 HydrophobicContact CG1-CE2 3.44Å; I105-F249 VanDerWaalsContact CG1-CE2 3.44Å; I105-F249 HydrophobicContact CG1-CG 4.44Å; I105-F249 HydrophobicContact CG1-CZ 3.87Å; I105-F249 HydrophobicContact CG2-CD1 4.06Å; I105-F249 HydrophobicContact CG2-CD2 4.42Å; I105-F249 HydrophobicContact CG2-CE1 3.73Å; I105-F249 HydrophobicContact CG2-CE2 4.18Å; I105-F249 HydrophobicContact CG2-CG 4.39Å; I105-F249 HydrophobicContact CG2-CZ 3.8Å; I105-F270 HydrophobicContact CG2-CD1 4.21Å; I105-F270 HydrophobicContact CG2-CE1 3.63Å; I105-F270 HydrophobicContact CG2-CZ 4.43Å |
| 106 | S | 78.7 | Confident | 70.7 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -69 | -39.7 | -174.3 | 59.4 | 0 | 0 | 0 | 0 | 112.9 | P102 L103 T110 F270 N274 | P102-S106 VanDerWaalsContact O-CB 3.29Å; P102-S106 WeakPolarHBondContact O-CB 3.49Å; P102-S106 PolarHBondContact O-N 2.68Å; P102-S106 PolarHBondContact O-OG 3.04Å; L103-S106 PolarHBondContact O-N 3.36Å; L103-S106 PolarHBondContact O-OG 3.39Å; S106-T110 VanDerWaalsContact O-CB 3.28Å; S106-T110 WeakPolarHBondContact O-CB 3.47Å; S106-T110 PolarHBondContact O-N 2.76Å; S106-T110 VanDerWaalsContact O-N 3.13Å; S106-T110 PolarHBondContact O-OG1 3.26Å; S106-F270 WeakPolarHBondContact CB-O 3.45Å; S106-N274 WeakPolarHBondContact OG-CA 3.5Å |
| 107 | S | 71.8 | Confident | 70.3 | Confident | 11 Ų | 11 | 32.4 Ų | 32.4 | 8% | 0.077 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -70 | -46 | 179.1 | 62.7 | 0 | 0 | 0 | 0 | 112.9 | L103 I104 T110 G111 | L103-S107 WeakPolarHBondContact O-CB 3.33Å; L103-S107 PolarHBondContact O-N 3.14Å; L103-S107 PolarHBondContact O-OG 3.31Å; I104-S107 PolarHBondContact O-OG 2.97Å; S107-T110 PolarHBondContact O-N 2.99Å; S107-G111 PolarHBondContact O-N 3.01Å |
| 108 | L | 72.3 | Confident | 69.6 | Low | 3 Ų | 3 | 36.7 Ų | 36.7 | 2% | 0.016 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.3 | -44.5 | -180 | -71.2 | 177.6 | 0 | 0 | 0 | 112 | I104 G111 L112 I246 T395 | I104-L108 HydrophobicContact CG2-CD1 3.63Å; I104-L108 HydrophobicContact CG2-CG 4.38Å; I104-L108 VanDerWaalsContact O-CB 3.25Å; I104-L108 WeakPolarHBondContact O-CB 3.37Å; I104-L108 VanDerWaalsContact O-CG 3.24Å; I104-L108 WeakPolarHBondContact O-CG 3.49Å; I104-L108 PolarHBondContact O-N 3.14Å; L108-G111 PolarHBondContact O-N 3.34Å; L108-L112 WeakPolarHBondContact O-CB 3.23Å; L108-L112 WeakPolarHBondContact O-CG 3.46Å; L108-L112 PolarHBondContact O-N 3.28Å; L108-I246 HydrophobicContact CD1-CB 4.23Å; L108-I246 HydrophobicContact CD1-CG1 4.06Å; L108-I246 HydrophobicContact CD1-CG2 4.1Å; L108-T395 HydrophobicContact CD2-CG2 4.15Å |
| 109 | I | 79.8 | Confident | 68.1 | Low | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.2 | -48.9 | 179.1 | -64.6 | 170.7 | 0 | 0 | 0 | 110 | I105 G111 L112 A113 F249 F252 M256 F270 | I105-I109 HydrophobicContact CG2-CD1 3.7Å; I105-I109 WeakPolarHBondContact O-CB 3.48Å; I105-I109 WeakPolarHBondContact O-CD1 3.14Å; I105-I109 WeakPolarHBondContact O-CG1 3.49Å; I105-I109 PolarHBondContact O-N 3.04Å; I109-G111 VanDerWaalsContact C-N 3.35Å; I109-G111 PolarHBondContact O-N 2.98Å; I109-L112 PolarHBondContact O-N 2.98Å; I109-A113 WeakPolarHBondContact O-CB 3.1Å; I109-A113 PolarHBondContact O-N 3.1Å; I109-F249 HydrophobicContact CD1-CD1 3.53Å; I109-F249 HydrophobicContact CD1-CE1 3.91Å; I109-F249 HydrophobicContact CD1-CG 4.44Å; I109-F249 HydrophobicContact CG1-CB 4.32Å; I109-F249 HydrophobicContact CG1-CD1 3.88Å; I109-F249 HydrophobicContact CG1-CG 4.46Å; I109-F252 HydrophobicContact CD1-CD1 3.74Å; I109-F252 HydrophobicContact CD1-CE1 3.9Å; I109-F252 HydrophobicContact CG1-CD1 3.93Å; I109-F252 HydrophobicContact CG1-CE1 4.48Å; I109-F252 HydrophobicContact CG2-CD1 4.42Å; I109-M256 HydrophobicContact CG2-CE 3.69Å; I109-M256 HydrophobicContact CG2-SD 3.68Å; I109-F270 HydrophobicContact CB-CB 4.39Å; I109-F270 HydrophobicContact CB-CD2 4.32Å; I109-F270 HydrophobicContact CB-CG 4.22Å; I109-F270 HydrophobicContact CD1-CD1 3.74Å; I109-F270 HydrophobicContact CD1-CD2 3.79Å; I109-F270 HydrophobicContact CD1-CE1 3.53Å; I109-F270 HydrophobicContact CD1-CE2 3.59Å; I109-F270 HydrophobicContact CD1-CG 3.88Å; I109-F270 HydrophobicContact CD1-CZ 3.45Å; I109-F270 VanDerWaalsContact CD1-CZ 3.45Å; I109-F270 HydrophobicContact CG2-CB 4.17Å; I109-F270 HydrophobicContact CG2-CD2 3.66Å; I109-F270 HydrophobicContact CG2-CE2 4.28Å; I109-F270 HydrophobicContact CG2-CG 3.98Å |
| 110 | T | 73.4 | Confident | 67.5 | Low | 33 Ų | 33 | 36.2 Ų | 36.2 | 20% | 0.202 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.2 | -41.2 | -178.4 | -50.5 | 0 | 0 | 0 | 0 | 111.1 | S106 S107 G114 S271 | S106-T110 VanDerWaalsContact O-CB 3.28Å; S106-T110 WeakPolarHBondContact O-CB 3.47Å; S106-T110 PolarHBondContact O-N 2.76Å; S106-T110 VanDerWaalsContact O-N 3.13Å; S106-T110 PolarHBondContact O-OG1 3.26Å; S107-T110 PolarHBondContact O-N 2.99Å; T110-G114 PolarHBondContact O-N 3.04Å; T110-S271 PolarHBondContact OG1-N 2.78Å |
| 111 | G | 68.7 | Low | 67.5 | Low | 14 Ų | 14 | 37 Ų | 37 | 14% | 0.144 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.1 | -39.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | S107 L108 I109 | S107-G111 PolarHBondContact O-N 3.01Å; L108-G111 PolarHBondContact O-N 3.34Å; I109-G111 VanDerWaalsContact C-N 3.35Å; I109-G111 PolarHBondContact O-N 2.98Å |
| 112 | L | 71.9 | Confident | 67.4 | Low | 10 Ų | 10 | 42.9 Ų | 42.9 | 5% | 0.052 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -90.3 | -29.9 | -177.3 | -66.3 | 168.9 | 0 | 0 | 0 | 113.7 | L108 I109 G114 L115 I250 I254 I396 | L108-L112 WeakPolarHBondContact O-CB 3.23Å; L108-L112 WeakPolarHBondContact O-CG 3.46Å; L108-L112 PolarHBondContact O-N 3.28Å; I109-L112 PolarHBondContact O-N 2.98Å; L112-G114 VanDerWaalsContact C-N 3.33Å; L112-L115 HydrophobicContact CD2-CD1 3.77Å; L112-L115 VanDerWaalsContact O-CB 3.31Å; L112-L115 WeakPolarHBondContact O-CB 3.38Å; L112-L115 WeakPolarHBondContact O-CG 3.31Å; L112-L115 PolarHBondContact O-N 3.21Å; L112-I250 VanDerWaalsContact CD1-CA 3.46Å; L112-I250 HydrophobicContact CD1-CB 3.88Å; L112-I250 HydrophobicContact CD1-CG1 3.76Å; L112-I250 HydrophobicContact CD1-CG2 3.89Å; L112-I254 HydrophobicContact CB-CG1 4.48Å; L112-I396 HydrophobicContact CD2-CD1 3.92Å |
| 113 | A | 69.9 | Low | 67.3 | Low | 7 Ų | 7 | 42.1 Ų | 42.1 | 6% | 0.058 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -75.1 | -24.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | I109 L115 G253 M256 I267 | I109-A113 WeakPolarHBondContact O-CB 3.1Å; I109-A113 PolarHBondContact O-N 3.1Å; A113-L115 PolarHBondContact O-N 2.67Å; A113-G253 WeakPolarHBondContact CA-O 3.32Å; A113-M256 HydrophobicContact CB-CB 4.08Å; A113-M256 HydrophobicContact CB-CE 4.31Å; A113-I267 HydrophobicContact CB-CD1 3.79Å; A113-I267 HydrophobicContact CB-CG1 3.7Å |
| 114 | G | 61 | Low | 67.7 | Low | 48 Ų | 48 | 42.5 Ų | 42.5 | 50% | 0.495 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -10.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | T110 L112 D116 | T110-G114 PolarHBondContact O-N 3.04Å; L112-G114 VanDerWaalsContact C-N 3.33Å; G114-D116 PolarHBondContact O-N 2.97Å; G114-D116 VanDerWaalsContact O-N 3.07Å |
| 115 | L | 60.7 | Low | 68.2 | Low | 44 Ų | 44 | 46.6 Ų | 46.6 | 23% | 0.23 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -77.9 | 89.7 | 173.6 | -52.4 | 177.5 | 0 | 0 | 0 | 109.3 | L112 A113 A117 F388 V392 | L112-L115 HydrophobicContact CD2-CD1 3.77Å; L112-L115 VanDerWaalsContact O-CB 3.31Å; L112-L115 WeakPolarHBondContact O-CB 3.38Å; L112-L115 WeakPolarHBondContact O-CG 3.31Å; L112-L115 PolarHBondContact O-N 3.21Å; A113-L115 PolarHBondContact O-N 2.67Å; L115-A117 PolarHBondContact O-N 2.9Å; L115-F388 HydrophobicContact CD2-CD2 4.4Å; L115-F388 HydrophobicContact CD2-CE1 3.93Å; L115-F388 HydrophobicContact CD2-CE2 3.41Å; L115-F388 VanDerWaalsContact CD2-CE2 3.41Å; L115-F388 HydrophobicContact CD2-CZ 3.14Å; L115-F388 HydrophobicContact CG-CZ 4.39Å; L115-V392 HydrophobicContact CD2-CG2 3.91Å |
| 116 | D | 54.9 | Low | 68.5 | Low | 76 Ų | 76 | 48.3 Ų | 48.3 | 41% | 0.406 | 28% | 0.279 | S | S | . | . | trans | -64.6 | 105.6 | 176 | -168.6 | 3.9 | 0 | 0 | 0 | 110.3 | G114 K118 S119 S120 | G114-D116 PolarHBondContact O-N 2.97Å; G114-D116 VanDerWaalsContact O-N 3.07Å; D116-K118 PolarHBondContact O-N 3.1Å; D116-K118 VanDerWaalsContact O-N 3.09Å; D116-S119 VanDerWaalsContact CG-OG 3.31Å; D116-S119 PolarHBondContact OD2-OG 2.89Å; D116-S120 WeakPolarHBondContact O-CA 3.38Å; D116-S120 WeakPolarHBondContact O-CB 3.44Å; D116-S120 PolarHBondContact O-N 2.93Å | ||
| 117 | A | 52 | Low | 69 | Low | 59 Ų | 59 | 48.5 Ų | 48.5 | 49% | 0.488 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -16.7 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | L115 K258 | L115-A117 PolarHBondContact O-N 2.9Å; A117-K258 HydrophobicContact CB-CG 4.11Å |
| 118 | K | 47.6 | Very low | 69.6 | Low | 207 Ų | 207 | 51.4 Ų | 51.4 | 90% | 0.9 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | -28 | -173.1 | -133.7 | 178.1 | -176.8 | -176 | 0 | 114.3 | D116 | D116-K118 PolarHBondContact O-N 3.1Å; D116-K118 VanDerWaalsContact O-N 3.09Å |
| 119 | S | 49.3 | Very low | 70.5 | Confident | 96 Ų | 96 | 55.8 Ų | 55.8 | 67% | 0.671 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.3 | -25.2 | -179.1 | 68.4 | 0 | 0 | 0 | 0 | 113.6 | D116 | D116-S119 VanDerWaalsContact CG-OG 3.31Å; D116-S119 PolarHBondContact OD2-OG 2.89Å |
| 120 | S | 57.5 | Low | 71.2 | Confident | 20 Ų | 20 | 56.2 Ų | 56.2 | 14% | 0.14 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -111.9 | 7.7 | -175.6 | -161.4 | 0 | 0 | 0 | 0 | 113.5 | D116 R122 L123 G124 F388 | D116-S120 WeakPolarHBondContact O-CA 3.38Å; D116-S120 WeakPolarHBondContact O-CB 3.44Å; D116-S120 PolarHBondContact O-N 2.93Å; S120-R122 VanDerWaalsContact C-N 3.34Å; S120-R122 PolarHBondContact O-N 3.02Å; S120-L123 PolarHBondContact O-N 3.45Å; S120-G124 PolarHBondContact O-N 3.2Å; S120-F388 WeakPolarHBondContact OG-CE2 3.36Å; S120-F388 WeakPolarHBondContact OG-CZ 3.35Å |
| 121 | G | 66.2 | Low | 72.1 | Confident | 31 Ų | 31 | 54.7 Ų | 54.7 | 32% | 0.32 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -55.7 | -42.5 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114 | T125 | G121-T125 VanDerWaalsContact O-CB 3.28Å; G121-T125 WeakPolarHBondContact O-CB 3.27Å; G121-T125 PolarHBondContact O-N 3.43Å; G121-T125 PolarHBondContact O-OG1 3.16Å |
| 122 | R | 76.2 | Confident | 73.1 | Confident | 169 Ų | 169 | 57.1 Ų | 57.1 | 64% | 0.638 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -72.2 | -42.7 | 179.7 | -73.8 | -171.5 | 164.1 | 173.9 | -0.3 | 113 | S120 T125 R126 E500 | S120-R122 VanDerWaalsContact C-N 3.34Å; S120-R122 PolarHBondContact O-N 3.02Å; R122-T125 PolarHBondContact O-N 2.9Å; R122-R126 WeakPolarHBondContact O-CB 3.2Å; R122-R126 VanDerWaalsContact O-CG 3.28Å; R122-R126 WeakPolarHBondContact O-CG 3.39Å; R122-R126 PolarHBondContact O-N 2.88Å; R122-E500 WeakPolarHBondContact CD-OE1 3.41Å; R122-E500 IonicContact CZ-OE1 2.89Å; R122-E500 IonicContact NE-OE1 3.43Å; R122-E500 IonicContact NH1-OE1 3.88Å; R122-E500 PolarHBondContact NH1-OE1 3.25Å |
| 123 | L | 78.6 | Confident | 74.1 | Confident | 22 Ų | 22 | 59 Ų | 59 | 12% | 0.115 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.6 | -47.9 | 177.3 | -167.1 | 74.1 | 0 | 0 | 0 | 110.6 | S120 R126 A127 V385 F388 V493 S497 | S120-L123 PolarHBondContact O-N 3.45Å; L123-R126 PolarHBondContact O-N 3.38Å; L123-A127 WeakPolarHBondContact O-CB 3.24Å; L123-A127 PolarHBondContact O-N 2.95Å; L123-V385 HydrophobicContact CD1-CG1 4.33Å; L123-V385 HydrophobicContact CD1-CG2 4.02Å; L123-F388 HydrophobicContact CB-CE1 4.35Å; L123-F388 HydrophobicContact CD2-CB 4.09Å; L123-F388 HydrophobicContact CD2-CD1 3.63Å; L123-F388 HydrophobicContact CD2-CE1 4.14Å; L123-F388 HydrophobicContact CD2-CG 3.9Å; L123-F388 HydrophobicContact CG-CD1 3.95Å; L123-F388 HydrophobicContact CG-CE1 4.1Å; L123-V493 HydrophobicContact CD1-CG1 3.25Å; L123-V493 HydrophobicContact CG-CG1 3.9Å; L123-S497 WeakPolarHBondContact CD1-OG 3.39Å |
| 124 | G | 77.7 | Confident | 75.3 | Confident | 12 Ų | 12 | 58.7 Ų | 58.7 | 12% | 0.124 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.3 | -47.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | S120 R126 A127 M128 F388 | S120-G124 PolarHBondContact O-N 3.2Å; G124-R126 PolarHBondContact O-N 2.98Å; G124-A127 PolarHBondContact O-N 3.11Å; G124-M128 WeakPolarHBondContact O-CB 3.32Å; G124-M128 PolarHBondContact O-N 3.14Å; G124-F388 VanDerWaalsContact CA-CE1 3.47Å |
| 125 | T | 82.4 | Confident | 76.9 | Confident | 89 Ų | 89 | 56.5 Ų | 56.5 | 55% | 0.546 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.6 | -43.5 | 179.8 | -56.3 | 0 | 0 | 0 | 0 | 111.3 | G121 R122 A127 M128 V129 | G121-T125 VanDerWaalsContact O-CB 3.28Å; G121-T125 WeakPolarHBondContact O-CB 3.27Å; G121-T125 PolarHBondContact O-N 3.43Å; G121-T125 PolarHBondContact O-OG1 3.16Å; R122-T125 PolarHBondContact O-N 2.9Å; T125-A127 PolarHBondContact O-N 2.93Å; T125-M128 PolarHBondContact O-N 3.46Å; T125-V129 HydrophobicContact CG2-CG2 4.31Å; T125-V129 WeakPolarHBondContact O-CB 3.28Å; T125-V129 VanDerWaalsContact O-CG2 3.26Å; T125-V129 WeakPolarHBondContact O-CG2 3.08Å; T125-V129 PolarHBondContact O-N 2.8Å |
| 126 | R | 88.9 | Confident | 78.5 | Confident | 64 Ų | 64 | 57.5 Ų | 57.5 | 24% | 0.242 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.8 | -45 | 176.3 | -72.5 | 172.1 | 179.9 | 138.4 | 7.6 | 111.7 | R122 L123 G124 Y130 V493 L496 S497 E500 | R122-R126 WeakPolarHBondContact O-CB 3.2Å; R122-R126 VanDerWaalsContact O-CG 3.28Å; R122-R126 WeakPolarHBondContact O-CG 3.39Å; R122-R126 PolarHBondContact O-N 2.88Å; L123-R126 PolarHBondContact O-N 3.38Å; G124-R126 PolarHBondContact O-N 2.98Å; R126-Y130 WeakPolarHBondContact O-CB 3.45Å; R126-Y130 PolarHBondContact O-N 2.97Å; R126-Y130 VanDerWaalsContact O-N 3.09Å; R126-V493 HydrophobicContact CB-CG2 4.31Å; R126-L496 PolarHBondContact NH1-O 3.26Å; R126-S497 VanDerWaalsContact NH1-CA 3.34Å; R126-S497 PolarHBondContact NH1-OG 2.68Å; R126-E500 IonicContact CZ-OE1 3.26Å; R126-E500 IonicContact CZ-OE2 2.76Å; R126-E500 IonicContact NH1-OE1 3.23Å; R126-E500 IonicContact NH1-OE2 2.98Å; R126-E500 PolarHBondContact NH1-OE2 2.92Å; R126-E500 IonicContact NH2-OE1 3.97Å; R126-E500 PolarHBondContact NH2-OE1 3.4Å; R126-E500 IonicContact NH2-OE2 3.92Å |
| 127 | A | 87.8 | Confident | 80.5 | Confident | 3 Ų | 3 | 56.6 Ų | 56.6 | 3% | 0.025 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.6 | -47.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | L123 G124 T125 V129 Y130 Y131 V389 V493 | L123-A127 WeakPolarHBondContact O-CB 3.24Å; L123-A127 PolarHBondContact O-N 2.95Å; G124-A127 PolarHBondContact O-N 3.11Å; T125-A127 PolarHBondContact O-N 2.93Å; A127-V129 PolarHBondContact O-N 2.95Å; A127-Y130 PolarHBondContact O-N 3.22Å; A127-Y131 HydrophobicContact CB-CE2 4.2Å; A127-Y131 WeakPolarHBondContact O-CD2 3.47Å; A127-Y131 PolarHBondContact O-N 3.46Å; A127-V389 HydrophobicContact CB-CG2 4.37Å; A127-V493 HydrophobicContact CB-CG2 4Å |
| 128 | M | 85.3 | Confident | 82.7 | Confident | 72 Ų | 72 | 53.8 Ų | 53.8 | 36% | 0.355 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.6 | -42.5 | -178.9 | -168.7 | 63.6 | -178.2 | 0 | 0 | 112.5 | G124 T125 Y130 Y131 M132 I396 | G124-M128 WeakPolarHBondContact O-CB 3.32Å; G124-M128 PolarHBondContact O-N 3.14Å; T125-M128 PolarHBondContact O-N 3.46Å; M128-Y130 VanDerWaalsContact C-N 3.33Å; M128-Y130 PolarHBondContact O-N 2.84Å; M128-Y131 PolarHBondContact O-N 2.85Å; M128-M132 HydrophobicContact CE-CG 3.78Å; M128-M132 HydrophobicContact CE-SD 3.78Å; M128-M132 HydrophobicContact CG-CG 4.38Å; M128-M132 WeakPolarHBondContact O-CB 3.2Å; M128-M132 VanDerWaalsContact O-CG 3.3Å; M128-M132 WeakPolarHBondContact O-CG 3.31Å; M128-M132 PolarHBondContact O-N 2.96Å; M128-M132 HydrophobicContact SD-CG 4.31Å; M128-I396 HydrophobicContact CE-CG2 4.43Å; M128-I396 HydrophobicContact SD-CD1 4.44Å; M128-I396 HydrophobicContact SD-CG2 4.21Å |
| 129 | V | 90.8 | Very high | 85 | Confident | 95 Ų | 95 | 43.9 Ų | 43.9 | 58% | 0.576 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -61.1 | -44.9 | 175.6 | 169.2 | 0 | 0 | 0 | 0 | 110.5 | T125 A127 S133 | T125-V129 HydrophobicContact CG2-CG2 4.31Å; T125-V129 WeakPolarHBondContact O-CB 3.28Å; T125-V129 VanDerWaalsContact O-CG2 3.26Å; T125-V129 WeakPolarHBondContact O-CG2 3.08Å; T125-V129 PolarHBondContact O-N 2.8Å; A127-V129 PolarHBondContact O-N 2.95Å; V129-S133 VanDerWaalsContact O-CB 3.25Å; V129-S133 WeakPolarHBondContact O-CB 3.35Å; V129-S133 PolarHBondContact O-N 3.22Å; V129-S133 PolarHBondContact O-OG 3.19Å; V129-S133 VanDerWaalsContact O-OG 3.11Å |
| 130 | Y | 94.5 | Very high | 87.2 | Confident | 10 Ų | 10 | 42.3 Ų | 42.3 | 4% | 0.039 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59 | -54.7 | 175.9 | 170.8 | -99 | 0 | 0 | 0 | 111 | R126 A127 M128 M132 S133 T134 I335 G485 G489 I492 | R126-Y130 WeakPolarHBondContact O-CB 3.45Å; R126-Y130 PolarHBondContact O-N 2.97Å; R126-Y130 VanDerWaalsContact O-N 3.09Å; A127-Y130 PolarHBondContact O-N 3.22Å; M128-Y130 VanDerWaalsContact C-N 3.33Å; M128-Y130 PolarHBondContact O-N 2.84Å; Y130-M132 PolarHBondContact O-N 2.85Å; Y130-S133 PolarHBondContact O-N 2.93Å; Y130-S133 VanDerWaalsContact O-N 3.11Å; Y130-S133 PolarHBondContact O-OG 3.09Å; Y130-T134 HydrophobicContact CD2-CG2 3.94Å; Y130-T134 HydrophobicContact CE1-CG2 4.23Å; Y130-T134 HydrophobicContact CE2-CG2 3.53Å; Y130-T134 HydrophobicContact CG-CG2 4.47Å; Y130-T134 PolarHBondContact O-N 3.37Å; Y130-T134 PolarHBondContact O-OG1 2.88Å; Y130-I335 HydrophobicContact CD2-CG2 4.37Å; Y130-I335 HydrophobicContact CE2-CG2 4.04Å; Y130-G485 WeakPolarHBondContact CE1-O 3.31Å; Y130-G485 PolarHBondContact OH-O 2.76Å; Y130-G489 PolarHBondContact OH-N 2.8Å; Y130-I492 HydrophobicContact CD2-CD1 3.82Å; Y130-I492 HydrophobicContact CE2-CD1 3.37Å |
| 131 | Y | 91.4 | Very high | 89.1 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 0% | 0.004 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.7 | -46.3 | -177.7 | -63.2 | -26.9 | 0 | 0 | 0 | 113.6 | A127 M128 S133 T134 T135 V389 V392 G393 N397 | A127-Y131 HydrophobicContact CB-CE2 4.2Å; A127-Y131 WeakPolarHBondContact O-CD2 3.47Å; A127-Y131 PolarHBondContact O-N 3.46Å; M128-Y131 PolarHBondContact O-N 2.85Å; Y131-S133 VanDerWaalsContact C-N 3.32Å; Y131-S133 PolarHBondContact O-N 3.42Å; Y131-T134 PolarHBondContact O-OG1 2.85Å; Y131-T134 VanDerWaalsContact O-OG1 3.14Å; Y131-T135 VanDerWaalsContact O-CB 3.3Å; Y131-T135 WeakPolarHBondContact O-CB 3.33Å; Y131-T135 PolarHBondContact O-N 2.88Å; Y131-T135 PolarHBondContact O-OG1 2.75Å; Y131-V389 WeakPolarHBondContact OH-CG1 3.47Å; Y131-V389 PolarHBondContact OH-O 3.42Å; Y131-V392 HydrophobicContact CE2-CG1 4.22Å; Y131-G393 VanDerWaalsContact CZ-CA 3.46Å; Y131-G393 VanDerWaalsContact OH-CA 3.28Å; Y131-G393 WeakPolarHBondContact OH-CA 3.3Å; Y131-N397 HydrophobicContact CD1-CB 3.34Å; Y131-N397 WeakPolarHBondContact CD1-ND2 3.33Å; Y131-N397 WeakPolarHBondContact CD1-OD1 3.11Å; Y131-N397 HydrophobicContact CD2-CB 4.03Å; Y131-N397 HydrophobicContact CE1-CB 3.69Å; Y131-N397 HydrophobicContact CE2-CB 4.32Å; Y131-N397 HydrophobicContact CG-CB 3.52Å |
| 132 | M | 89.5 | Confident | 90.6 | Very high | 65 Ų | 65 | 40.8 Ų | 40.8 | 32% | 0.32 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64.9 | -39.3 | 177.6 | -66.4 | -63.6 | -82 | 0 | 0 | 111.1 | M128 Y130 V136 V437 | M128-M132 HydrophobicContact CE-CG 3.78Å; M128-M132 HydrophobicContact CE-SD 3.78Å; M128-M132 HydrophobicContact CG-CG 4.38Å; M128-M132 WeakPolarHBondContact O-CB 3.2Å; M128-M132 VanDerWaalsContact O-CG 3.3Å; M128-M132 WeakPolarHBondContact O-CG 3.31Å; M128-M132 PolarHBondContact O-N 2.96Å; M128-M132 HydrophobicContact SD-CG 4.31Å; Y130-M132 PolarHBondContact O-N 2.85Å; M132-V136 WeakPolarHBondContact O-CB 3.4Å; M132-V136 VanDerWaalsContact O-CG2 3.23Å; M132-V136 WeakPolarHBondContact O-CG2 3.39Å; M132-V136 PolarHBondContact O-N 3.07Å; M132-V136 VanDerWaalsContact O-N 3.1Å; M132-V437 HydrophobicContact SD-CG2 4.46Å |
| 133 | S | 93.8 | Very high | 91.5 | Very high | 50 Ų | 50 | 33.3 Ų | 33.3 | 35% | 0.35 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -67.2 | -44.5 | 179.3 | 71.9 | 0 | 0 | 0 | 0 | 112.8 | V129 Y130 Y131 I137 | V129-S133 VanDerWaalsContact O-CB 3.25Å; V129-S133 WeakPolarHBondContact O-CB 3.35Å; V129-S133 PolarHBondContact O-N 3.22Å; V129-S133 PolarHBondContact O-OG 3.19Å; V129-S133 VanDerWaalsContact O-OG 3.11Å; Y130-S133 PolarHBondContact O-N 2.93Å; Y130-S133 VanDerWaalsContact O-N 3.11Å; Y130-S133 PolarHBondContact O-OG 3.09Å; Y131-S133 VanDerWaalsContact C-N 3.32Å; Y131-S133 PolarHBondContact O-N 3.42Å; S133-I137 WeakPolarHBondContact O-CD1 3.41Å; S133-I137 WeakPolarHBondContact O-CG1 3.33Å; S133-I137 PolarHBondContact O-N 3.36Å |
| 134 | T | 96 | Very high | 92.4 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.6 | -39 | -179.8 | 53.8 | 0 | 0 | 0 | 0 | 111.7 | Y130 Y131 I137 A138 L332 I335 N397 D399 | Y130-T134 HydrophobicContact CD2-CG2 3.94Å; Y130-T134 HydrophobicContact CE1-CG2 4.23Å; Y130-T134 HydrophobicContact CE2-CG2 3.53Å; Y130-T134 HydrophobicContact CG-CG2 4.47Å; Y130-T134 PolarHBondContact O-N 3.37Å; Y130-T134 PolarHBondContact O-OG1 2.88Å; Y131-T134 PolarHBondContact O-OG1 2.85Å; Y131-T134 VanDerWaalsContact O-OG1 3.14Å; T134-I137 PolarHBondContact O-N 3.21Å; T134-A138 WeakPolarHBondContact O-CB 3.45Å; T134-A138 PolarHBondContact O-N 3.04Å; T134-L332 HydrophobicContact CG2-CD2 3.85Å; T134-I335 HydrophobicContact CG2-CD1 3.99Å; T134-N397 PolarHBondContact OG1-OD1 3.48Å; T134-D399 VanDerWaalsContact C-OD1 3.32Å; T134-D399 WeakPolarHBondContact CB-OD1 3.26Å; T134-D399 PolarHBondContact OG1-OD1 3.27Å |
| 135 | T | 94.4 | Very high | 93.2 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.3 | -44 | 178.6 | -56.6 | 0 | 0 | 0 | 0 | 110.9 | Y131 I137 A138 A139 D399 A402 T433 S436 | Y131-T135 VanDerWaalsContact O-CB 3.3Å; Y131-T135 WeakPolarHBondContact O-CB 3.33Å; Y131-T135 PolarHBondContact O-N 2.88Å; Y131-T135 PolarHBondContact O-OG1 2.75Å; T135-I137 PolarHBondContact O-N 3.45Å; T135-A138 WeakPolarHBondContact O-CB 3.46Å; T135-A138 PolarHBondContact O-N 3.38Å; T135-A139 PolarHBondContact O-N 2.94Å; T135-D399 WeakPolarHBondContact CA-OD1 3.39Å; T135-D399 PolarHBondContact N-OD1 3.44Å; T135-D399 VanDerWaalsContact N-OD1 3.15Å; T135-D399 PolarHBondContact OG1-OD1 3.28Å; T135-A402 HydrophobicContact CG2-CB 3.56Å; T135-T433 HydrophobicContact CG2-CG2 3.77Å; T135-S436 VanDerWaalsContact CG2-OG 3.26Å; T135-S436 WeakPolarHBondContact CG2-OG 3.36Å |
| 136 | V | 94.8 | Very high | 93.9 | Very high | 65 Ų | 65 | 32.9 Ų | 32.9 | 39% | 0.394 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -61.9 | -43.9 | 175 | 170 | 0 | 0 | 0 | 0 | 111 | M132 A138 A139 V140 T433 | M132-V136 WeakPolarHBondContact O-CB 3.4Å; M132-V136 VanDerWaalsContact O-CG2 3.23Å; M132-V136 WeakPolarHBondContact O-CG2 3.39Å; M132-V136 PolarHBondContact O-N 3.07Å; M132-V136 VanDerWaalsContact O-N 3.1Å; V136-A138 VanDerWaalsContact C-N 3.3Å; V136-A138 PolarHBondContact O-N 2.82Å; V136-A139 PolarHBondContact O-N 3.38Å; V136-V140 HydrophobicContact CG1-CG2 4.32Å; V136-V140 WeakPolarHBondContact O-CB 3.39Å; V136-V140 VanDerWaalsContact O-CG2 3.29Å; V136-V140 WeakPolarHBondContact O-CG2 3.11Å; V136-V140 PolarHBondContact O-N 3.33Å; V136-T433 HydrophobicContact CG2-CG2 3.7Å |
| 137 | I | 96.7 | Very high | 94.1 | Very high | 57 Ų | 57 | 33.6 Ų | 33.6 | 29% | 0.292 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -59.3 | -43.5 | 176 | -70.5 | 164.7 | 0 | 0 | 0 | 110.6 | S133 T134 T135 V140 L141 F331 I335 | S133-I137 WeakPolarHBondContact O-CD1 3.41Å; S133-I137 WeakPolarHBondContact O-CG1 3.33Å; S133-I137 PolarHBondContact O-N 3.36Å; T134-I137 PolarHBondContact O-N 3.21Å; T135-I137 PolarHBondContact O-N 3.45Å; I137-V140 PolarHBondContact O-N 3.46Å; I137-L141 VanDerWaalsContact O-CB 3.27Å; I137-L141 WeakPolarHBondContact O-CB 3.16Å; I137-L141 PolarHBondContact O-N 3.13Å; I137-F331 HydrophobicContact CG2-CD1 3.6Å; I137-F331 HydrophobicContact CG2-CE1 3.91Å; I137-F331 HydrophobicContact CG2-CG 4.07Å; I137-I335 HydrophobicContact CD1-CD1 4.08Å |
| 138 | A | 97.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.9 | -44.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | T134 T135 V136 L141 G142 D399 L403 | T134-A138 WeakPolarHBondContact O-CB 3.45Å; T134-A138 PolarHBondContact O-N 3.04Å; T135-A138 WeakPolarHBondContact O-CB 3.46Å; T135-A138 PolarHBondContact O-N 3.38Å; V136-A138 VanDerWaalsContact C-N 3.3Å; V136-A138 PolarHBondContact O-N 2.82Å; A138-L141 PolarHBondContact O-N 3.48Å; A138-G142 PolarHBondContact O-N 3.29Å; A138-D399 HydrophobicContact CB-CB 4.04Å; A138-D399 WeakPolarHBondContact CB-O 3.33Å; A138-L403 HydrophobicContact CB-CB 4.23Å; A138-L403 WeakPolarHBondContact O-CB 3.47Å |
| 139 | A | 95.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.3 | -47.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | T135 V136 L141 G142 V143 A402 | T135-A139 PolarHBondContact O-N 2.94Å; V136-A139 PolarHBondContact O-N 3.38Å; A139-L141 VanDerWaalsContact C-N 3.35Å; A139-L141 PolarHBondContact O-N 2.85Å; A139-G142 PolarHBondContact O-N 3.09Å; A139-G142 VanDerWaalsContact O-N 3.15Å; A139-V143 WeakPolarHBondContact O-CG2 3.49Å; A139-V143 PolarHBondContact O-N 3.45Å; A139-A402 HydrophobicContact CB-CB 4.31Å |
| 140 | V | 96.5 | Very high | 94.7 | Very high | 62 Ų | 62 | 38.3 Ų | 38.3 | 38% | 0.376 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -61.9 | -42.7 | 177.7 | 171 | 0 | 0 | 0 | 0 | 111.2 | V136 I137 G142 V143 I144 | V136-V140 HydrophobicContact CG1-CG2 4.32Å; V136-V140 WeakPolarHBondContact O-CB 3.39Å; V136-V140 VanDerWaalsContact O-CG2 3.29Å; V136-V140 WeakPolarHBondContact O-CG2 3.11Å; V136-V140 PolarHBondContact O-N 3.33Å; I137-V140 PolarHBondContact O-N 3.46Å; V140-G142 VanDerWaalsContact C-N 3.32Å; V140-G142 PolarHBondContact O-N 2.92Å; V140-V143 PolarHBondContact O-N 3.33Å; V140-I144 HydrophobicContact CG1-CD1 3.82Å; V140-I144 HydrophobicContact CG1-CG1 4.43Å; V140-I144 VanDerWaalsContact O-CG1 3.32Å; V140-I144 WeakPolarHBondContact O-CG1 3.41Å; V140-I144 PolarHBondContact O-N 3.31Å |
| 141 | L | 97.4 | Very high | 94.4 | Very high | 19 Ų | 19 | 38.2 Ų | 38.2 | 10% | 0.099 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.9 | -44.7 | 174.2 | 175.9 | 64.3 | 0 | 0 | 0 | 111.3 | I137 A138 A139 I144 L145 I326 H327 F331 L403 | I137-L141 VanDerWaalsContact O-CB 3.27Å; I137-L141 WeakPolarHBondContact O-CB 3.16Å; I137-L141 PolarHBondContact O-N 3.13Å; A138-L141 PolarHBondContact O-N 3.48Å; A139-L141 VanDerWaalsContact C-N 3.35Å; A139-L141 PolarHBondContact O-N 2.85Å; L141-I144 PolarHBondContact O-N 3Å; L141-L145 HydrophobicContact CD1-CD1 3.9Å; L141-L145 HydrophobicContact CD1-CG 4.1Å; L141-L145 HydrophobicContact CG-CD1 3.9Å; L141-L145 HydrophobicContact CG-CG 4.48Å; L141-L145 WeakPolarHBondContact O-CB 3.18Å; L141-L145 WeakPolarHBondContact O-CG 3.46Å; L141-L145 PolarHBondContact O-N 3.01Å; L141-I326 HydrophobicContact CD1-CG2 4.09Å; L141-I326 HydrophobicContact CD2-CB 4.21Å; L141-I326 HydrophobicContact CD2-CG2 3.78Å; L141-H327 HydrophobicContact CD2-CB 3.93Å; L141-F331 HydrophobicContact CD1-CE2 4.03Å; L141-F331 HydrophobicContact CD2-CD2 3.99Å; L141-F331 HydrophobicContact CD2-CE2 3.89Å; L141-F331 HydrophobicContact CG-CE2 4.47Å; L141-L403 HydrophobicContact CD2-CD1 4.01Å; L141-L403 HydrophobicContact CG-CD1 4.32Å |
| 142 | G | 96.9 | Very high | 94 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.2 | -49.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A138 A139 V140 I144 L145 V146 V407 | A138-G142 PolarHBondContact O-N 3.29Å; A139-G142 PolarHBondContact O-N 3.09Å; A139-G142 VanDerWaalsContact O-N 3.15Å; V140-G142 VanDerWaalsContact C-N 3.32Å; V140-G142 PolarHBondContact O-N 2.92Å; G142-I144 PolarHBondContact O-N 2.74Å; G142-L145 PolarHBondContact O-N 2.93Å; G142-V146 VanDerWaalsContact O-CG1 3.31Å; G142-V146 WeakPolarHBondContact O-CG1 3.21Å; G142-V146 PolarHBondContact O-N 2.91Å; G142-V407 WeakPolarHBondContact O-CG2 3.47Å |
| 143 | V | 95.8 | Very high | 93.4 | Very high | 12 Ų | 12 | 38 Ų | 38 | 7% | 0.073 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.4 | -48 | 175.8 | 171.5 | 0 | 0 | 0 | 0 | 111.6 | A139 V140 L145 V146 L147 A406 I410 I425 | A139-V143 WeakPolarHBondContact O-CG2 3.49Å; A139-V143 PolarHBondContact O-N 3.45Å; V140-V143 PolarHBondContact O-N 3.33Å; V143-L145 PolarHBondContact O-N 3.33Å; V143-V146 VanDerWaalsContact O-CG1 3.31Å; V143-V146 WeakPolarHBondContact O-CG1 3.2Å; V143-L147 HydrophobicContact CG1-CD1 3.73Å; V143-L147 HydrophobicContact CG1-CG 4.44Å; V143-L147 WeakPolarHBondContact O-CB 3.41Å; V143-L147 WeakPolarHBondContact O-CG 3.41Å; V143-L147 PolarHBondContact O-N 3.37Å; V143-L147 VanDerWaalsContact O-N 3.12Å; V143-A406 HydrophobicContact CG2-CB 3.96Å; V143-I410 HydrophobicContact CB-CD1 4.17Å; V143-I410 HydrophobicContact CG1-CD1 3.97Å; V143-I410 HydrophobicContact CG2-CD1 3.87Å; V143-I425 HydrophobicContact CG1-CG2 3.39Å |
| 144 | I | 96.2 | Very high | 92.2 | Very high | 91 Ų | 91 | 38.7 Ų | 38.7 | 47% | 0.467 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61.3 | -47.8 | -179.8 | -68.8 | 167.2 | 0 | 0 | 0 | 110.2 | V140 L141 G142 V146 L147 V148 | V140-I144 HydrophobicContact CG1-CD1 3.82Å; V140-I144 HydrophobicContact CG1-CG1 4.43Å; V140-I144 VanDerWaalsContact O-CG1 3.32Å; V140-I144 WeakPolarHBondContact O-CG1 3.41Å; V140-I144 PolarHBondContact O-N 3.31Å; L141-I144 PolarHBondContact O-N 3Å; G142-I144 PolarHBondContact O-N 2.74Å; I144-V146 PolarHBondContact O-N 3.22Å; I144-L147 PolarHBondContact O-N 3.15Å; I144-V148 HydrophobicContact CG2-CG2 4.36Å; I144-V148 WeakPolarHBondContact O-CB 3.21Å; I144-V148 VanDerWaalsContact O-CG2 3.26Å; I144-V148 WeakPolarHBondContact O-CG2 3.25Å; I144-V148 PolarHBondContact O-N 2.96Å |
| 145 | L | 96.2 | Very high | 90.6 | Very high | 24 Ų | 24 | 47.4 Ų | 47.4 | 13% | 0.126 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.9 | -43.8 | -177 | -73.8 | 171.4 | 0 | 0 | 0 | 112.6 | L141 G142 V143 L147 V148 I149 T319 I326 | L141-L145 HydrophobicContact CD1-CD1 3.9Å; L141-L145 HydrophobicContact CD1-CG 4.1Å; L141-L145 HydrophobicContact CG-CD1 3.9Å; L141-L145 HydrophobicContact CG-CG 4.48Å; L141-L145 WeakPolarHBondContact O-CB 3.18Å; L141-L145 WeakPolarHBondContact O-CG 3.46Å; L141-L145 PolarHBondContact O-N 3.01Å; G142-L145 PolarHBondContact O-N 2.93Å; V143-L145 PolarHBondContact O-N 3.33Å; L145-L147 VanDerWaalsContact C-N 3.34Å; L145-L147 PolarHBondContact O-N 3.22Å; L145-V148 PolarHBondContact O-N 2.84Å; L145-I149 WeakPolarHBondContact O-CB 3.26Å; L145-I149 WeakPolarHBondContact O-CG1 3.43Å; L145-I149 PolarHBondContact O-N 3.41Å; L145-T319 HydrophobicContact CB-CG2 4.3Å; L145-I326 HydrophobicContact CD1-CD1 4.41Å; L145-I326 HydrophobicContact CD2-CD1 4.32Å |
| 146 | V | 95.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -70.4 | -30.7 | -179.3 | 69.8 | 0 | 0 | 0 | 0 | 112.6 | G142 V143 I144 H150 P151 T319 V407 I410 F411 Q414 | G142-V146 VanDerWaalsContact O-CG1 3.31Å; G142-V146 WeakPolarHBondContact O-CG1 3.21Å; G142-V146 PolarHBondContact O-N 2.91Å; V143-V146 VanDerWaalsContact O-CG1 3.31Å; V143-V146 WeakPolarHBondContact O-CG1 3.2Å; I144-V146 PolarHBondContact O-N 3.22Å; V146-H150 VanDerWaalsContact O-CA 3.24Å; V146-H150 WeakPolarHBondContact O-CA 3.22Å; V146-H150 PolarHBondContact O-N 3.46Å; V146-P151 HydrophobicContact CG2-CG 3.81Å; V146-P151 WeakPolarHBondContact O-CD 3.45Å; V146-T319 HydrophobicContact CB-CG2 4.35Å; V146-V407 HydrophobicContact CB-CB 4.4Å; V146-V407 HydrophobicContact CB-CG1 4.06Å; V146-V407 HydrophobicContact CB-CG2 4.3Å; V146-V407 HydrophobicContact CG2-CG1 4.02Å; V146-I410 HydrophobicContact CG1-CB 3.65Å; V146-I410 HydrophobicContact CG1-CD1 3.57Å; V146-I410 HydrophobicContact CG1-CG1 4.17Å; V146-I410 HydrophobicContact CG1-CG2 3.68Å; V146-I410 HydrophobicContact CG2-CB 4.14Å; V146-I410 HydrophobicContact CG2-CG2 4.02Å; V146-F411 HydrophobicContact CG2-CB 4.49Å; V146-Q414 PolarHBondContact O-NE2 3.07Å; V146-Q414 VanDerWaalsContact O-NE2 3.1Å |
| 147 | L | 93.1 | Very high | 86.6 | Confident | 78 Ų | 78 | 47.2 Ų | 47.2 | 41% | 0.408 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -72.4 | -37.2 | 173.7 | -68.6 | 173.5 | 0 | 0 | 0 | 111.9 | V143 I144 L145 I410 I425 | V143-L147 HydrophobicContact CG1-CD1 3.73Å; V143-L147 HydrophobicContact CG1-CG 4.44Å; V143-L147 WeakPolarHBondContact O-CB 3.41Å; V143-L147 WeakPolarHBondContact O-CG 3.41Å; V143-L147 PolarHBondContact O-N 3.37Å; V143-L147 VanDerWaalsContact O-N 3.12Å; I144-L147 PolarHBondContact O-N 3.15Å; L145-L147 VanDerWaalsContact C-N 3.34Å; L145-L147 PolarHBondContact O-N 3.22Å; L147-I410 HydrophobicContact CD2-CG2 4.13Å; L147-I425 HydrophobicContact CD1-CD1 4.17Å; L147-I425 HydrophobicContact CD2-CD1 4.34Å |
| 148 | V | 94.2 | Very high | 84.5 | Confident | 116 Ų | 116 | 53.1 Ų | 53.1 | 70% | 0.703 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -74.5 | -46.8 | 179.1 | 170.6 | 0 | 0 | 0 | 0 | 112 | I144 L145 | I144-V148 HydrophobicContact CG2-CG2 4.36Å; I144-V148 WeakPolarHBondContact O-CB 3.21Å; I144-V148 VanDerWaalsContact O-CG2 3.26Å; I144-V148 WeakPolarHBondContact O-CG2 3.25Å; I144-V148 PolarHBondContact O-N 2.96Å; L145-V148 PolarHBondContact O-N 2.84Å |
| 149 | I | 93.2 | Very high | 82.3 | Confident | 55 Ų | 55 | 56 Ų | 56 | 28% | 0.282 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -77.4 | -31.7 | -178.1 | -64.4 | 172.9 | 0 | 0 | 0 | 110.9 | L145 M315 T319 | L145-I149 WeakPolarHBondContact O-CB 3.26Å; L145-I149 WeakPolarHBondContact O-CG1 3.43Å; L145-I149 PolarHBondContact O-N 3.41Å; I149-M315 HydrophobicContact CG2-CE 3.79Å; I149-T319 HydrophobicContact CD1-CG2 4.09Å; I149-T319 WeakPolarHBondContact CG2-OG1 3.43Å |
| 150 | H | 90.1 | Very high | 80.1 | Confident | 99 Ų | 99 | 58.8 Ų | 58.8 | 46% | 0.458 | 30% | 0.303 | S | S | . | . | trans | 50.4 | 59 | -179.9 | -155.4 | -57.8 | 0 | 0 | 0 | 113.7 | V146 G152 | V146-H150 VanDerWaalsContact O-CA 3.24Å; V146-H150 WeakPolarHBondContact O-CA 3.22Å; V146-H150 PolarHBondContact O-N 3.46Å; H150-G152 VanDerWaalsContact C-N 3.28Å; H150-G152 PolarHBondContact CE1-O 2.96Å; H150-G152 PolarHBondContact ND1-O 3.14Å; H150-G152 PolarHBondContact O-N 2.94Å | ||
| 151 | P | 88.5 | Confident | 78 | Confident | 8 Ų | 8 | 57.8 Ų | 57.8 | 5% | 0.052 | 31% | 0.305 | C | S | . | . | trans | -66.4 | -24.4 | -173.2 | 26 | -33.4 | 0 | 0 | 0 | 114.4 | V146 M315 F411 | V146-P151 HydrophobicContact CG2-CG 3.81Å; V146-P151 WeakPolarHBondContact O-CD 3.45Å; P151-M315 HydrophobicContact CB-CB 3.91Å; P151-F411 HydrophobicContact CB-CD2 4.07Å; P151-F411 HydrophobicContact CB-CE2 4.43Å; P151-F411 HydrophobicContact CG-CD2 3.95Å | ||
| 152 | G | 82.4 | Confident | 75.4 | Confident | 1 Ų | 1 | 66.4 Ų | 66.4 | 1% | 0.01 | 34% | 0.344 | C | S | . | . | trans | -83.8 | 138.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | H150 | H150-G152 VanDerWaalsContact C-N 3.28Å; H150-G152 PolarHBondContact CE1-O 2.96Å; H150-G152 PolarHBondContact ND1-O 3.14Å; H150-G152 PolarHBondContact O-N 2.94Å | ||
| 153 | N | 77.5 | Confident | 73 | Confident | 60 Ų | 60 | 67.1 Ų | 67.1 | 32% | 0.321 | 35% | 0.352 | S | S | . | . | trans | -132.1 | 121.8 | 176.5 | -176.8 | -21.6 | 0 | 0 | 0 | 111.1 | K155 L156 Q312 | N153-K155 PolarHBondContact O-N 3.11Å; N153-K155 WeakPolarHBondContact OD1-CB 3.45Å; N153-K155 PolarHBondContact OD1-N 3.4Å; N153-L156 HydrophobicContact CB-CD1 3.84Å; N153-Q312 PolarHBondContact O-NE2 2.98Å | ||
| 154 | P | 68.8 | Low | 70.5 | Confident | 64 Ų | 64 | 73.9 Ų | 73.9 | 42% | 0.416 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | -67.5 | -28.9 | -175.9 | -16.4 | 26.9 | 0 | 0 | 0 | 114.6 | L156 K157 Q414 | P154-L156 PolarHBondContact O-N 3.34Å; P154-K157 PolarHBondContact O-N 3.04Å; P154-Q414 WeakPolarHBondContact CG-O 3.31Å |
| 155 | K | 61.1 | Low | 68 | Low | 184 Ų | 184 | 79.2 Ų | 79.2 | 80% | 0.8 | 40% | 0.403 | S | S | * | . | G | 310 helix | trans | -66.4 | 3.2 | -174.3 | -66.6 | -172.9 | 176.6 | -176.7 | 0 | 114.5 | N153 | N153-K155 PolarHBondContact O-N 3.11Å; N153-K155 WeakPolarHBondContact OD1-CB 3.45Å; N153-K155 PolarHBondContact OD1-N 3.4Å |
| 156 | L | 52.1 | Low | 65.9 | Low | 22 Ų | 22 | 81.1 Ų | 81.1 | 12% | 0.115 | 41% | 0.413 | C | S | . | . | G | 310 helix | trans | -124.4 | -1.4 | -170.6 | -72 | 144.3 | 0 | 0 | 0 | 111.7 | N153 P154 V308 | N153-L156 HydrophobicContact CB-CD1 3.84Å; P154-L156 PolarHBondContact O-N 3.34Å; L156-V308 HydrophobicContact CB-CG1 3.55Å; L156-V308 HydrophobicContact CD1-CG1 4.36Å; L156-V308 HydrophobicContact CD2-CB 3.81Å; L156-V308 HydrophobicContact CD2-CG1 3.18Å; L156-V308 HydrophobicContact CD2-CG2 3.34Å; L156-V308 HydrophobicContact CG-CG1 3.81Å |
| 157 | K | 53.3 | Low | 63.8 | Low | 40 Ų | 40 | 85.5 Ų | 85.5 | 17% | 0.174 | 44% | 0.436 | C | S | . | . | G | 310 helix | trans | -79 | -17.7 | 176 | -172.6 | 177.9 | 170 | -162.7 | 0 | 113.5 | P154 N159 L160 N416 | P154-K157 PolarHBondContact O-N 3.04Å; K157-N159 PolarHBondContact O-N 2.71Å; K157-L160 PolarHBondContact O-N 3.03Å; K157-N416 WeakPolarHBondContact CE-OD1 3.33Å; K157-N416 PolarHBondContact NZ-OD1 3.32Å |
| 158 | E | 53.2 | Low | 61.9 | Low | 181 Ų | 181 | 89.2 Ų | 89.2 | 85% | 0.846 | 46% | 0.457 | S | S | * | . | G | 310 helix | trans | -52.3 | -23.5 | 171.5 | -83.6 | -175.8 | 155.5 | 0 | 0 | 112.4 | ||
| 159 | N | 50.2 | Low | 60.2 | Low | 60 Ų | 60 | 84.9 Ų | 84.9 | 32% | 0.321 | 43% | 0.43 | S | S | . | . | G | 310 helix | trans | -98 | -8.2 | -176.9 | -56.8 | -33.8 | 0 | 0 | 0 | 114.8 | K157 D305 | K157-N159 PolarHBondContact O-N 2.71Å; N159-D305 WeakPolarHBondContact CB-OD2 3.37Å; N159-D305 PolarHBondContact ND2-OD2 3.21Å |
| 160 | L | 50.8 | Low | 59 | Low | 59 Ų | 59 | 84.7 Ų | 84.7 | 31% | 0.309 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | -8.9 | -178.5 | -77.3 | 160.2 | 0 | 0 | 0 | 113.7 | K157 V309 M415 L466 | K157-L160 PolarHBondContact O-N 3.03Å; L160-V309 HydrophobicContact CD1-CG2 4.18Å; L160-V309 HydrophobicContact CD2-CG2 3.96Å; L160-V309 HydrophobicContact CG-CG2 4.27Å; L160-M415 HydrophobicContact CD1-SD 4.35Å; L160-L466 HydrophobicContact CD2-CD2 4.29Å |
| 161 | G | 51 | Low | 57.8 | Low | 41 Ų | 41 | 81 Ų | 81 | 42% | 0.423 | 42% | 0.419 | S | S | . | . | trans | 97.8 | 146.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | G163 | G161-G163 PolarHBondContact O-N 2.99Š| ||
| 162 | E | 43.9 | Very low | 56.9 | Low | 199 Ų | 199 | 85.3 Ų | 85.3 | 93% | 0.93 | 44% | 0.441 | S | S | * | . | trans | -70 | 95.7 | 174.3 | -71 | -170.8 | 152.6 | 0 | 0 | 109.4 | E164 | E162-E164 PolarHBondContact O-N 3.17Š| ||
| 163 | G | 46.2 | Very low | 56.5 | Low | 16 Ų | 16 | 85.8 Ų | 85.8 | 17% | 0.165 | 44% | 0.444 | C | S | . | . | trans | -57.2 | 131.6 | 162.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | G161 K165 | G161-G163 PolarHBondContact O-N 2.99Å; G163-K165 PolarHBondContact O-N 3.48Å | ||
| 164 | E | 43.7 | Very low | 56.1 | Low | 154 Ų | 154 | 83.1 Ų | 83.1 | 72% | 0.72 | 43% | 0.43 | S | S | * | . | trans | -49.1 | 123.4 | 176.4 | -74 | -176.2 | 148.8 | 0 | 0 | 109.4 | E162 N166 | E162-E164 PolarHBondContact O-N 3.17Å; E164-N166 PolarHBondContact O-N 3.28Å | ||
| 165 | K | 42.9 | Very low | 56.1 | Low | 203 Ų | 203 | 84.4 Ų | 84.4 | 88% | 0.883 | 43% | 0.429 | S | S | * | . | trans | -62.5 | 110.8 | 170.1 | -75.7 | -178.8 | 177.8 | 177.5 | 0 | 106.8 | G163 D167 | G163-K165 PolarHBondContact O-N 3.48Å; K165-D167 PolarHBondContact O-N 3.48Å | ||
| 166 | N | 51.8 | Low | 57 | Low | 64 Ų | 64 | 79.9 Ų | 79.9 | 34% | 0.342 | 41% | 0.41 | S | S | . | . | trans | -57.6 | 137.8 | 162 | -78.1 | -38.4 | 0 | 0 | 0 | 107.5 | E164 G458 L459 | E164-N166 PolarHBondContact O-N 3.28Å; N166-G458 WeakPolarHBondContact CB-O 3.46Å; N166-G458 PolarHBondContact ND2-O 3.38Å; N166-L459 PolarHBondContact ND2-O 3.46Å | ||
| 167 | D | 52.1 | Low | 58.1 | Low | 91 Ų | 91 | 79.2 Ų | 79.2 | 49% | 0.487 | 41% | 0.406 | S | S | . | . | trans | -47.9 | 145.3 | 174.5 | -64.7 | -49.9 | 0 | 0 | 0 | 110.2 | K165 V169 | K165-D167 PolarHBondContact O-N 3.48Å; D167-V169 VanDerWaalsContact C-N 3.34Å; D167-V169 WeakPolarHBondContact O-CG2 3.39Å; D167-V169 PolarHBondContact O-N 2.85Å | ||
| 168 | D | 53.9 | Low | 59.1 | Low | 157 Ų | 157 | 78 Ų | 78 | 84% | 0.84 | 40% | 0.401 | S | S | * | . | trans | -56.2 | 95.3 | 177.5 | -65.9 | -46.2 | 0 | 0 | 0 | 109.8 | S170 | D168-S170 PolarHBondContact O-N 2.85Š| ||
| 169 | V | 57.1 | Low | 60.5 | Low | 24 Ų | 24 | 72.9 Ų | 72.9 | 15% | 0.145 | 38% | 0.379 | C | S | . | . | trans | -79.8 | 120.4 | 176.3 | -175.1 | 0 | 0 | 0 | 0 | 106.8 | D167 S171 D173 A174 | D167-V169 VanDerWaalsContact C-N 3.34Å; D167-V169 WeakPolarHBondContact O-CG2 3.39Å; D167-V169 PolarHBondContact O-N 2.85Å; V169-S171 PolarHBondContact O-N 3.49Å; V169-D173 HydrophobicContact CG1-CB 4.22Å; V169-A174 HydrophobicContact CG1-CB 4.29Å | ||
| 170 | S | 67.5 | Low | 62.1 | Low | 51 Ų | 51 | 74 Ų | 74 | 36% | 0.357 | 38% | 0.379 | S | S | . | . | trans | -63 | 137.1 | 172 | 176.8 | 0 | 0 | 0 | 0 | 109.5 | D168 L172 D173 A174 | D168-S170 PolarHBondContact O-N 2.85Å; S170-L172 PolarHBondContact O-N 3.48Å; S170-L172 VanDerWaalsContact O-N 3.12Å; S170-D173 WeakPolarHBondContact CB-OD2 3.43Å; S170-D173 WeakPolarHBondContact O-CA 3.43Å; S170-D173 WeakPolarHBondContact O-CB 3.47Å; S170-D173 PolarHBondContact O-N 2.99Å; S170-A174 PolarHBondContact O-N 3.19Å | ||
| 171 | S | 65.1 | Low | 63.4 | Low | 21 Ų | 21 | 71.9 Ų | 71.9 | 15% | 0.147 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -58.5 | -28.4 | 179.6 | -48.6 | 0 | 0 | 0 | 0 | 112.9 | V169 F175 D421 Q424 | V169-S171 PolarHBondContact O-N 3.49Å; S171-F175 PolarHBondContact O-N 3.33Å; S171-D421 VanDerWaalsContact CB-OD2 3.28Å; S171-D421 WeakPolarHBondContact CB-OD2 3.44Å; S171-D421 PolarHBondContact OG-OD1 3.14Å; S171-D421 PolarHBondContact OG-OD2 2.96Å; S171-Q424 VanDerWaalsContact OG-CG 3.27Å; S171-Q424 WeakPolarHBondContact OG-CG 3.4Å |
| 172 | L | 70.1 | Confident | 65 | Low | 99 Ų | 99 | 72.6 Ų | 72.6 | 52% | 0.518 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -71.9 | -35.9 | 173.4 | -174.1 | 148.8 | 0 | 0 | 0 | 111.9 | S170 F176 | S170-L172 PolarHBondContact O-N 3.48Å; S170-L172 VanDerWaalsContact O-N 3.12Å; L172-F176 HydrophobicContact CD2-CD2 3.56Å; L172-F176 HydrophobicContact CD2-CE2 3.19Å; L172-F176 HydrophobicContact CD2-CZ 3.95Å; L172-F176 HydrophobicContact CG-CD2 4.42Å; L172-F176 HydrophobicContact CG-CE2 4.06Å; L172-F176 HydrophobicContact CG-CZ 4.4Å; L172-F176 WeakPolarHBondContact O-CD2 3.45Å; L172-F176 WeakPolarHBondContact O-CG 3.39Å; L172-F176 PolarHBondContact O-N 2.82Å |
| 173 | D | 74.9 | Confident | 67.1 | Low | 12 Ų | 12 | 70.4 Ų | 70.4 | 6% | 0.064 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -68.6 | -42 | 173.6 | -60.6 | -29.2 | 0 | 0 | 0 | 110.5 | V169 S170 F175 F176 D177 T197 K232 | V169-D173 HydrophobicContact CG1-CB 4.22Å; S170-D173 WeakPolarHBondContact CB-OD2 3.43Å; S170-D173 WeakPolarHBondContact O-CA 3.43Å; S170-D173 WeakPolarHBondContact O-CB 3.47Å; S170-D173 PolarHBondContact O-N 2.99Å; D173-F175 PolarHBondContact O-N 3.24Å; D173-F176 PolarHBondContact O-N 2.9Å; D173-D177 WeakPolarHBondContact O-CB 3.43Å; D173-D177 PolarHBondContact O-N 3.09Å; D173-T197 HydrophobicContact CB-CG2 4.02Å; D173-K232 IonicContact OD1-NZ 2.76Å; D173-K232 PolarHBondContact OD1-NZ 3.27Å; D173-K232 VanDerWaalsContact OD2-CE 3.22Å; D173-K232 WeakPolarHBondContact OD2-CE 3.36Å; D173-K232 IonicContact OD2-NZ 2.84Å; D173-K232 PolarHBondContact OD2-NZ 3.31Å |
| 174 | A | 67.6 | Low | 69 | Low | 3 Ų | 3 | 71 Ų | 71 | 3% | 0.025 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -57.7 | -45.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | V169 S170 D177 L178 A456 | V169-A174 HydrophobicContact CG1-CB 4.29Å; S170-A174 PolarHBondContact O-N 3.19Å; A174-D177 PolarHBondContact O-N 3.49Å; A174-L178 PolarHBondContact O-N 3.14Å; A174-A456 VanDerWaalsContact CB-O 3.25Å; A174-A456 WeakPolarHBondContact CB-O 3.35Å |
| 175 | F | 69.8 | Low | 71.3 | Confident | 91 Ų | 91 | 71 Ų | 71 | 40% | 0.399 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.2 | -40.9 | 175.2 | -179.5 | -100.7 | 0 | 0 | 0 | 112.5 | S171 D173 L178 I179 | S171-F175 PolarHBondContact O-N 3.33Å; D173-F175 PolarHBondContact O-N 3.24Å; F175-L178 VanDerWaalsContact O-CB 3.31Å; F175-L178 WeakPolarHBondContact O-CB 3.28Å; F175-L178 PolarHBondContact O-N 2.92Å; F175-I179 HydrophobicContact CD1-CD1 4.07Å; F175-I179 HydrophobicContact CE1-CD1 3.44Å; F175-I179 VanDerWaalsContact CE1-CD1 3.44Å; F175-I179 HydrophobicContact CE1-CG1 4.4Å; F175-I179 HydrophobicContact CZ-CD1 3.78Å; F175-I179 HydrophobicContact CZ-CG1 4.48Å; F175-I179 PolarHBondContact O-N 3.42Å |
| 176 | F | 80 | Confident | 73.7 | Confident | 90 Ų | 90 | 65 Ų | 65 | 40% | 0.395 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -68.4 | -37.3 | 175.1 | -72.6 | -29.2 | 0 | 0 | 0 | 112.9 | L172 D173 L178 I179 R180 | L172-F176 HydrophobicContact CD2-CD2 3.56Å; L172-F176 HydrophobicContact CD2-CE2 3.19Å; L172-F176 HydrophobicContact CD2-CZ 3.95Å; L172-F176 HydrophobicContact CG-CD2 4.42Å; L172-F176 HydrophobicContact CG-CE2 4.06Å; L172-F176 HydrophobicContact CG-CZ 4.4Å; L172-F176 WeakPolarHBondContact O-CD2 3.45Å; L172-F176 WeakPolarHBondContact O-CG 3.39Å; L172-F176 PolarHBondContact O-N 2.82Å; D173-F176 PolarHBondContact O-N 2.9Å; F176-L178 VanDerWaalsContact C-N 3.26Å; F176-L178 PolarHBondContact O-N 3.4Å; F176-I179 PolarHBondContact O-N 3.49Å; F176-R180 WeakPolarHBondContact O-CB 3.37Å; F176-R180 VanDerWaalsContact O-CG 3.26Å; F176-R180 WeakPolarHBondContact O-CG 3.25Å; F176-R180 PolarHBondContact O-N 3.26Å |
| 177 | D | 76 | Confident | 75.6 | Confident | 8 Ų | 8 | 64.7 Ų | 64.7 | 4% | 0.043 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.2 | -36 | 173.4 | -71.2 | -15.5 | 0 | 0 | 0 | 111 | D173 A174 R180 N181 T197 | D173-D177 WeakPolarHBondContact O-CB 3.43Å; D173-D177 PolarHBondContact O-N 3.09Å; A174-D177 PolarHBondContact O-N 3.49Å; D177-R180 PolarHBondContact O-N 2.93Å; D177-R180 IonicContact OD1-CZ 2.82Å; D177-R180 IonicContact OD1-NH1 3.51Å; D177-R180 PolarHBondContact OD1-NH1 3.46Å; D177-N181 VanDerWaalsContact O-CB 3.29Å; D177-N181 WeakPolarHBondContact O-CB 3.48Å; D177-N181 PolarHBondContact O-N 3.39Å; D177-N181 PolarHBondContact O-ND2 2.87Å; D177-T197 PolarHBondContact OD1-N 3.01Å; D177-T197 PolarHBondContact OD1-OG1 3.32Å; D177-T197 WeakPolarHBondContact OD2-CB 3.43Å; D177-T197 PolarHBondContact OD2-N 3.23Å; D177-T197 PolarHBondContact OD2-OG1 2.92Å |
| 178 | L | 74.2 | Confident | 77.6 | Confident | 14 Ų | 14 | 65.3 Ų | 65.3 | 7% | 0.073 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58 | -50 | 172.3 | -176.1 | 70.1 | 0 | 0 | 0 | 111.7 | A174 F175 F176 N181 L182 L243 L430 T431 | A174-L178 PolarHBondContact O-N 3.14Å; F175-L178 VanDerWaalsContact O-CB 3.31Å; F175-L178 WeakPolarHBondContact O-CB 3.28Å; F175-L178 PolarHBondContact O-N 2.92Å; F176-L178 VanDerWaalsContact C-N 3.26Å; F176-L178 PolarHBondContact O-N 3.4Å; L178-N181 PolarHBondContact O-N 2.65Å; L178-L182 PolarHBondContact O-N 3.5Å; L178-L243 HydrophobicContact CD1-CD2 3.3Å; L178-L243 HydrophobicContact CG-CD2 4.05Å; L178-L243 WeakPolarHBondContact O-CD2 3.48Å; L178-L430 HydrophobicContact CD2-CD2 4.43Å; L178-T431 HydrophobicContact CD1-CG2 3.37Å; L178-T431 HydrophobicContact CD2-CG2 3.89Å; L178-T431 HydrophobicContact CG-CG2 4.27Å |
| 179 | I | 81.3 | Confident | 79.4 | Confident | 74 Ų | 74 | 59.9 Ų | 59.9 | 38% | 0.379 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.8 | -43.8 | 179.1 | -64.6 | 174.3 | 0 | 0 | 0 | 111 | F175 F176 N181 L182 F183 | F175-I179 HydrophobicContact CD1-CD1 4.07Å; F175-I179 HydrophobicContact CE1-CD1 3.44Å; F175-I179 VanDerWaalsContact CE1-CD1 3.44Å; F175-I179 HydrophobicContact CE1-CG1 4.4Å; F175-I179 HydrophobicContact CZ-CD1 3.78Å; F175-I179 HydrophobicContact CZ-CG1 4.48Å; F175-I179 PolarHBondContact O-N 3.42Å; F176-I179 PolarHBondContact O-N 3.49Å; I179-N181 VanDerWaalsContact C-N 3.31Å; I179-N181 PolarHBondContact O-N 3.41Å; I179-L182 WeakPolarHBondContact O-CB 3.28Å; I179-L182 PolarHBondContact O-N 3.04Å; I179-F183 HydrophobicContact CG2-CD2 4.49Å; I179-F183 PolarHBondContact O-N 3.32Å |
| 180 | R | 84.1 | Confident | 80.8 | Confident | 84 Ų | 84 | 58.9 Ų | 58.9 | 32% | 0.317 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.5 | -42.8 | 177.4 | -71.2 | 171 | -168.4 | 130.6 | 1.8 | 111.3 | F176 D177 L182 F183 T197 | F176-R180 WeakPolarHBondContact O-CB 3.37Å; F176-R180 VanDerWaalsContact O-CG 3.26Å; F176-R180 WeakPolarHBondContact O-CG 3.25Å; F176-R180 PolarHBondContact O-N 3.26Å; D177-R180 PolarHBondContact O-N 2.93Å; D177-R180 IonicContact OD1-CZ 2.82Å; D177-R180 IonicContact OD1-NH1 3.51Å; D177-R180 PolarHBondContact OD1-NH1 3.46Å; R180-L182 VanDerWaalsContact C-N 3.32Å; R180-L182 PolarHBondContact O-N 3.47Å; R180-F183 CarbonylContact O-C 3.55Å; R180-F183 VanDerWaalsContact O-C 3.26Å; R180-F183 PolarHBondContact O-N 2.98Å; R180-F183 VanDerWaalsContact O-O 3.08Å; R180-T197 PolarHBondContact NH1-OG1 3.2Å |
| 181 | N | 78.8 | Confident | 81.5 | Confident | 14 Ų | 14 | 58.3 Ų | 58.3 | 8% | 0.075 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -71.1 | -26.9 | 178.1 | -75.6 | -58.4 | 0 | 0 | 0 | 112.5 | D177 L178 I179 F183 I195 N241 L243 G244 | D177-N181 VanDerWaalsContact O-CB 3.29Å; D177-N181 WeakPolarHBondContact O-CB 3.48Å; D177-N181 PolarHBondContact O-N 3.39Å; D177-N181 PolarHBondContact O-ND2 2.87Å; L178-N181 PolarHBondContact O-N 2.65Å; I179-N181 VanDerWaalsContact C-N 3.31Å; I179-N181 PolarHBondContact O-N 3.41Å; N181-F183 PolarHBondContact O-N 3.22Å; N181-I195 PolarHBondContact ND2-O 2.74Å; N181-I195 PolarHBondContact OD1-N 2.92Å; N181-N241 PolarHBondContact O-ND2 3Å; N181-N241 PolarHBondContact O-OD1 3.49Å; N181-L243 HydrophobicContact CB-CD2 4.4Å; N181-G244 WeakPolarHBondContact O-CA 3.39Å; N181-G244 PolarHBondContact O-N 3.33Å; N181-G244 VanDerWaalsContact O-N 3.14Å |
| 182 | L | 83.4 | Confident | 82.3 | Confident | 55 Ų | 55 | 62.4 Ų | 62.4 | 29% | 0.288 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63 | -30.3 | 172.1 | -175 | 64 | 0 | 0 | 0 | 112.6 | L178 I179 R180 P184 L243 | L178-L182 PolarHBondContact O-N 3.5Å; I179-L182 WeakPolarHBondContact O-CB 3.28Å; I179-L182 PolarHBondContact O-N 3.04Å; R180-L182 VanDerWaalsContact C-N 3.32Å; R180-L182 PolarHBondContact O-N 3.47Å; L182-P184 WeakPolarHBondContact O-CD 2.96Å; L182-L243 HydrophobicContact CB-CD2 4.2Å; L182-L243 HydrophobicContact CB-CG 4.31Å; L182-L243 HydrophobicContact CD1-CD1 4.05Å; L182-L243 HydrophobicContact CD1-CG 3.98Å |
| 183 | F | 88.6 | Confident | 82.9 | Confident | 153 Ų | 153 | 60.4 Ų | 60.4 | 67% | 0.671 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -119.2 | 76.4 | 178.2 | -60.1 | -76.5 | 0 | 0 | 0 | 111 | I179 R180 N181 | I179-F183 HydrophobicContact CG2-CD2 4.49Å; I179-F183 PolarHBondContact O-N 3.32Å; R180-F183 CarbonylContact O-C 3.55Å; R180-F183 VanDerWaalsContact O-C 3.26Å; R180-F183 PolarHBondContact O-N 2.98Å; R180-F183 VanDerWaalsContact O-O 3.08Å; N181-F183 PolarHBondContact O-N 3.22Å |
| 184 | P | 86.6 | Confident | 82.9 | Confident | 29 Ų | 29 | 60.9 Ų | 60.9 | 19% | 0.188 | 30% | 0.297 | C | S | . | . | trans | -65.8 | 141.4 | -177.2 | 27.3 | -33.7 | 0 | 0 | 0 | 111.6 | L182 N186 L187 A190 | L182-P184 WeakPolarHBondContact O-CD 2.96Å; P184-N186 PolarHBondContact O-N 3.21Å; P184-L187 HydrophobicContact CG-CD2 4.27Å; P184-A190 HydrophobicContact CB-CB 3.82Å; P184-A190 HydrophobicContact CG-CB 4.1Å | ||
| 185 | E | 90.8 | Very high | 83.5 | Confident | 154 Ų | 154 | 61.6 Ų | 61.6 | 72% | 0.72 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -63.5 | -28.3 | 176.8 | -61.7 | 178 | -179.3 | 0 | 0 | 112.4 | ||
| 186 | N | 94 | Very high | 83.8 | Confident | 78 Ų | 78 | 57.9 Ų | 57.9 | 42% | 0.417 | 28% | 0.284 | S | S | . | . | trans | -148.4 | 129.9 | 178.9 | -175.3 | -62.4 | 0 | 0 | 0 | 111.3 | P184 V188 Q189 A190 | P184-N186 PolarHBondContact O-N 3.21Å; N186-V188 WeakPolarHBondContact OD1-CA 3.41Å; N186-V188 WeakPolarHBondContact OD1-CB 3.28Å; N186-V188 PolarHBondContact OD1-N 3.45Å; N186-Q189 HydrophobicContact CB-CB 3.8Å; N186-Q189 PolarHBondContact O-N 2.87Å; N186-Q189 PolarHBondContact OD1-N 2.9Å; N186-A190 WeakPolarHBondContact O-CB 3.2Å; N186-A190 PolarHBondContact O-N 3.46Å | ||
| 187 | L | 91.7 | Very high | 83.8 | Confident | 57 Ų | 57 | 54 Ų | 54 | 30% | 0.298 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -69.4 | -38.1 | -178.5 | -67.9 | 172.4 | 0 | 0 | 0 | 113.6 | P184 Q189 A190 C191 F248 | P184-L187 HydrophobicContact CG-CD2 4.27Å; L187-Q189 VanDerWaalsContact C-N 3.34Å; L187-A190 WeakPolarHBondContact O-CB 3.04Å; L187-A190 PolarHBondContact O-N 3.1Å; L187-C191 PolarHBondContact O-N 3.49Å; L187-C191 PolarHBondContact O-SG 2.73Å; L187-F248 HydrophobicContact CD1-CD1 3.75Å; L187-F248 HydrophobicContact CD1-CD2 4.03Å; L187-F248 HydrophobicContact CD1-CE1 3.44Å; L187-F248 VanDerWaalsContact CD1-CE1 3.44Å; L187-F248 HydrophobicContact CD1-CE2 3.73Å; L187-F248 HydrophobicContact CD1-CG 4.04Å; L187-F248 HydrophobicContact CD1-CZ 3.43Å; L187-F248 VanDerWaalsContact CD1-CZ 3.43Å; L187-F248 HydrophobicContact CD2-CB 3.79Å; L187-F248 HydrophobicContact CD2-CD1 3.72Å; L187-F248 HydrophobicContact CD2-CD2 3.89Å; L187-F248 HydrophobicContact CD2-CE1 4.31Å; L187-F248 HydrophobicContact CD2-CE2 4.45Å; L187-F248 HydrophobicContact CD2-CG 3.5Å; L187-F248 VanDerWaalsContact CD2-CG 3.5Å; L187-F248 HydrophobicContact CG-CD1 4.41Å; L187-F248 HydrophobicContact CG-CD2 4.46Å; L187-F248 HydrophobicContact CG-CG 4.39Å |
| 188 | V | 94.6 | Very high | 83.9 | Confident | 103 Ų | 103 | 54.7 Ų | 54.7 | 62% | 0.624 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -67.7 | -41.6 | 178.3 | -177.7 | 0 | 0 | 0 | 0 | 109.6 | N186 A190 C191 F192 | N186-V188 WeakPolarHBondContact OD1-CA 3.41Å; N186-V188 WeakPolarHBondContact OD1-CB 3.28Å; N186-V188 PolarHBondContact OD1-N 3.45Å; V188-A190 VanDerWaalsContact C-N 3.33Å; V188-C191 VanDerWaalsContact O-CB 3.29Å; V188-C191 WeakPolarHBondContact O-CB 3.33Å; V188-C191 PolarHBondContact O-N 2.82Å; V188-F192 VanDerWaalsContact O-CD1 3.24Å; V188-F192 WeakPolarHBondContact O-CD1 3.43Å; V188-F192 WeakPolarHBondContact O-CE1 3.49Å |
| 189 | Q | 91.1 | Very high | 83.9 | Confident | 44 Ų | 44 | 55.2 Ų | 55.2 | 21% | 0.206 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.5 | -41.1 | 173.8 | -169 | 179 | 0.1 | 0 | 0 | 111.6 | N186 L187 C191 F192 Q193 F236 | N186-Q189 HydrophobicContact CB-CB 3.8Å; N186-Q189 PolarHBondContact O-N 2.87Å; N186-Q189 PolarHBondContact OD1-N 2.9Å; L187-Q189 VanDerWaalsContact C-N 3.34Å; Q189-C191 PolarHBondContact O-N 3.36Å; Q189-C191 VanDerWaalsContact O-N 3.11Å; Q189-F192 HydrophobicContact CG-CZ 4.35Å; Q189-F192 PolarHBondContact O-N 2.86Å; Q189-Q193 HydrophobicContact CG-CB 4.01Å; Q189-Q193 VanDerWaalsContact CG-OE1 3.24Å; Q189-Q193 PolarHBondContact O-N 2.89Å; Q189-F236 VanDerWaalsContact NE2-CD1 3.28Å |
| 190 | A | 86.1 | Confident | 83.4 | Confident | 3 Ų | 3 | 57.8 Ų | 57.8 | 3% | 0.025 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.5 | -23.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | P184 N186 L187 V188 F192 N241 L245 | P184-A190 HydrophobicContact CB-CB 3.82Å; P184-A190 HydrophobicContact CG-CB 4.1Å; N186-A190 WeakPolarHBondContact O-CB 3.2Å; N186-A190 PolarHBondContact O-N 3.46Å; L187-A190 WeakPolarHBondContact O-CB 3.04Å; L187-A190 PolarHBondContact O-N 3.1Å; V188-A190 VanDerWaalsContact C-N 3.33Å; A190-F192 PolarHBondContact O-N 2.84Å; A190-N241 HydrophobicContact CB-CB 4.08Å; A190-N241 PolarHBondContact O-N 2.86Å; A190-L245 HydrophobicContact CB-CD2 4.22Å; A190-L245 HydrophobicContact CB-CG 4.36Å |
| 191 | C | 83.8 | Confident | 82.7 | Confident | 39 Ų | 39 | 61.1 Ų | 61.1 | 26% | 0.264 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -20.2 | 174.9 | -62.4 | 0 | 0 | 0 | 0 | 113.7 | L101 L187 V188 Q189 M240 | L101-C191 HydrophobicContact CD2-CB 3.91Å; L187-C191 PolarHBondContact O-N 3.49Å; L187-C191 PolarHBondContact O-SG 2.73Å; V188-C191 VanDerWaalsContact O-CB 3.29Å; V188-C191 WeakPolarHBondContact O-CB 3.33Å; V188-C191 PolarHBondContact O-N 2.82Å; Q189-C191 PolarHBondContact O-N 3.36Å; Q189-C191 VanDerWaalsContact O-N 3.11Å; C191-M240 WeakPolarHBondContact O-CB 3.38Å; C191-M240 WeakPolarHBondContact O-CG 3.44Å |
| 192 | F | 81.8 | Confident | 82.2 | Confident | 107 Ų | 107 | 63.1 Ų | 63.1 | 47% | 0.469 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -141.4 | -5.2 | -174.9 | 65 | -89.7 | 0 | 0 | 0 | 115.5 | V188 Q189 A190 G239 | V188-F192 VanDerWaalsContact O-CD1 3.24Å; V188-F192 WeakPolarHBondContact O-CD1 3.43Å; V188-F192 WeakPolarHBondContact O-CE1 3.49Å; Q189-F192 HydrophobicContact CG-CZ 4.35Å; Q189-F192 PolarHBondContact O-N 2.86Å; A190-F192 PolarHBondContact O-N 2.84Å; F192-G239 CarbonylContact C-O 3.26Å; F192-G239 CarbonylContact O-C 3.52Å; F192-G239 PolarHBondContact O-N 3.39Å |
| 193 | Q | 82.3 | Confident | 81.5 | Confident | 57 Ų | 57 | 66 Ų | 66 | 27% | 0.266 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 152.5 | 177 | -79.1 | 173.7 | -16.6 | 0 | 0 | 112.6 | Q189 K237 G239 N241 | Q189-Q193 HydrophobicContact CG-CB 4.01Å; Q189-Q193 VanDerWaalsContact CG-OE1 3.24Å; Q189-Q193 PolarHBondContact O-N 2.89Å; Q193-K237 WeakPolarHBondContact CA-O 3.35Å; Q193-G239 CarbonylContact C-O 3.59Å; Q193-G239 WeakPolarHBondContact CA-O 3.34Å; Q193-G239 PolarHBondContact N-O 3.27Å; Q193-N241 WeakPolarHBondContact O-CB 3.4Å |
| 194 | Q | 73.8 | Confident | 80.5 | Confident | 21 Ų | 21 | 61.2 Ų | 61.2 | 10% | 0.098 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 156.5 | 173.5 | 62.7 | -178.4 | -7.8 | 0 | 0 | 111.1 | F236 K237 G239 N241 | Q194-F236 CarbonylContact O-C 3.53Å; Q194-F236 WeakPolarHBondContact O-CA 3.47Å; Q194-K237 PolarHBondContact N-O 3Å; Q194-K237 PolarHBondContact O-N 2.96Å; Q194-G239 PolarHBondContact N-O 2.97Å; Q194-N241 HydrophobicContact CB-CB 3.96Å |
| 195 | I | 81.1 | Confident | 79.2 | Confident | 18 Ų | 18 | 65.2 Ų | 65.2 | 9% | 0.092 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 131.6 | -179.9 | -64.6 | 171.3 | 0 | 0 | 0 | 109 | N181 L234 F236 | N181-I195 PolarHBondContact ND2-O 2.74Å; N181-I195 PolarHBondContact OD1-N 2.92Å; I195-L234 HydrophobicContact CG2-CB 4.48Å; I195-L234 HydrophobicContact CG2-CD2 4.06Å; I195-F236 HydrophobicContact CD1-CE1 3.82Å; I195-F236 HydrophobicContact CD1-CZ 4.37Å; I195-F236 HydrophobicContact CG1-CD1 3.71Å; I195-F236 HydrophobicContact CG1-CE1 3.39Å; I195-F236 HydrophobicContact CG1-CZ 4.23Å |
| 196 | Q | 76.4 | Confident | 77.6 | Confident | 14 Ų | 14 | 62 Ų | 62 | 7% | 0.065 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 141.4 | 169.9 | -166.9 | 175.8 | 15.6 | 0 | 0 | 110.6 | V198 Q235 | Q196-V198 PolarHBondContact O-N 3.45Å; Q196-Q235 PolarHBondContact N-O 3.45Å; Q196-Q235 PolarHBondContact O-N 2.8Å |
| 197 | T | 80.4 | Confident | 75.4 | Confident | 7 Ų | 7 | 67 Ų | 67 | 4% | 0.043 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 116.4 | 169.5 | -59.5 | 0 | 0 | 0 | 0 | 108.7 | D173 D177 R180 K232 L234 | D173-T197 HydrophobicContact CB-CG2 4.02Å; D177-T197 PolarHBondContact OD1-N 3.01Å; D177-T197 PolarHBondContact OD1-OG1 3.32Å; D177-T197 WeakPolarHBondContact OD2-CB 3.43Å; D177-T197 PolarHBondContact OD2-N 3.23Å; D177-T197 PolarHBondContact OD2-OG1 2.92Å; R180-T197 PolarHBondContact NH1-OG1 3.2Å; T197-K232 HydrophobicContact CG2-CB 4.23Å; T197-K232 HydrophobicContact CG2-CD 4.42Å; T197-L234 WeakPolarHBondContact OG1-CD2 3.41Å |
| 198 | V | 77.1 | Confident | 73.3 | Confident | 23 Ų | 23 | 70 Ų | 70 | 14% | 0.139 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 131.7 | 177.2 | -177.5 | 0 | 0 | 0 | 0 | 109.2 | Q196 S233 Q235 | Q196-V198 PolarHBondContact O-N 3.45Å; V198-S233 PolarHBondContact N-O 3.4Å; V198-S233 PolarHBondContact O-N 3.22Å; V198-S233 PolarHBondContact O-OG 3.11Å; V198-Q235 HydrophobicContact CB-CG 4.38Å; V198-Q235 HydrophobicContact CG2-CB 4.07Å; V198-Q235 HydrophobicContact CG2-CG 4.29Å |
| 199 | T | 74.1 | Confident | 70.9 | Confident | 25 Ų | 25 | 73.8 Ų | 73.8 | 15% | 0.153 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 101.7 | -178.7 | -60.7 | 0 | 0 | 0 | 0 | 109.2 | I230 | T199-I230 HydrophobicContact CG2-CG2 3.15Å |
| 200 | K | 71.6 | Confident | 68.8 | Low | 129 Ų | 129 | 76.9 Ų | 76.9 | 56% | 0.561 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 125.3 | 178.6 | -165.9 | 173.5 | -178.9 | 179 | 0 | 109.9 | V202 K231 | K200-V202 HydrophobicContact CG-CG2 4.38Å; K200-V202 PolarHBondContact O-N 3.37Å; K200-K231 PolarHBondContact N-O 3.2Å; K200-K231 PolarHBondContact O-N 3.16Å |
| 201 | K | 68.1 | Low | 67 | Low | 153 Ų | 153 | 83.7 Ų | 83.7 | 67% | 0.665 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72 | 111.6 | 166.4 | -66.4 | -178.6 | -177.9 | 177.5 | 0 | 107.8 | F228 | K201-F228 HydrophobicContact CB-CD1 4.37Å |
| 202 | V | 69.8 | Low | 65.3 | Low | 56 Ų | 56 | 86.8 Ų | 86.8 | 34% | 0.339 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 124.6 | 176.1 | -177.5 | 0 | 0 | 0 | 0 | 107.2 | K200 V204 I229 K231 | K200-V202 HydrophobicContact CG-CG2 4.38Å; K200-V202 PolarHBondContact O-N 3.37Å; V202-V204 PolarHBondContact O-N 3.02Å; V202-I229 PolarHBondContact N-O 2.76Å; V202-I229 PolarHBondContact O-N 2.8Å; V202-K231 HydrophobicContact CG2-CB 3.98Å; V202-K231 HydrophobicContact CG2-CD 4.5Å |
| 203 | E | 68.8 | Low | 63.9 | Low | 115 Ų | 115 | 88.1 Ų | 88.1 | 54% | 0.537 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 123.8 | 172.1 | -175.4 | 174.8 | 175.4 | 0 | 0 | 108.8 | P226 F228 | E203-P226 HydrophobicContact CG-CB 3.75Å; E203-P226 VanDerWaalsContact OE1-CB 3.23Å; E203-P226 WeakPolarHBondContact OE1-CB 3.39Å; E203-F228 HydrophobicContact CB-CD1 4.33Å; E203-F228 HydrophobicContact CB-CE1 4.23Å |
| 204 | V | 65.8 | Low | 62.4 | Low | 53 Ų | 53 | 91.4 Ų | 91.4 | 32% | 0.321 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 112.6 | 175.5 | 178.5 | 0 | 0 | 0 | 0 | 107.7 | V202 V206 Q227 I229 | V202-V204 PolarHBondContact O-N 3.02Å; V204-V206 PolarHBondContact O-N 2.91Å; V204-Q227 PolarHBondContact N-O 3.13Å; V204-I229 HydrophobicContact CB-CD1 4.03Å; V204-I229 HydrophobicContact CB-CG1 4.02Å; V204-I229 HydrophobicContact CG1-CD1 4.22Å; V204-I229 HydrophobicContact CG2-CB 3.81Å; V204-I229 HydrophobicContact CG2-CD1 3.58Å; V204-I229 HydrophobicContact CG2-CG1 3.51Å |
| 205 | V | 60 | Low | 61.2 | Low | 114 Ų | 114 | 96.3 Ų | 96.3 | 69% | 0.691 | 52% | 0.515 | S | S | * | . | trans | -72.3 | 106.9 | 168.3 | -176 | 0 | 0 | 0 | 0 | 106.6 | E207 | V205-E207 HydrophobicContact CG1-CG 4.44Å; V205-E207 PolarHBondContact O-N 3.03Å | ||
| 206 | V | 56.6 | Low | 59.6 | Low | 85 Ų | 85 | 104.2 Ų | 104.2 | 52% | 0.515 | 55% | 0.552 | S | S | . | * | trans | -77.8 | 97.8 | 170.2 | -177.3 | 0 | 0 | 0 | 0 | 106.9 | V204 E208 | V204-V206 PolarHBondContact O-N 2.91Å; V206-E208 VanDerWaalsContact C-N 3.34Å; V206-E208 HydrophobicContact CG1-CG 4.18Å; V206-E208 PolarHBondContact O-N 3.34Å; V206-E208 VanDerWaalsContact O-N 3.08Å | ||
| 207 | E | 49.3 | Very low | 58.5 | Low | 184 Ų | 184 | 107.5 Ų | 107.5 | 86% | 0.86 | 59% | 0.589 | S | S | * | * | trans | -71.7 | 92.1 | 163.9 | -74.4 | -175.9 | 167.4 | 0 | 0 | 108 | V205 | V205-E207 HydrophobicContact CG1-CG 4.44Å; V205-E207 PolarHBondContact O-N 3.03Å | ||
| 208 | E | 47.2 | Very low | 56.9 | Low | 121 Ų | 121 | 114.8 Ų | 114.8 | 57% | 0.565 | 63% | 0.627 | S | S | * | * | trans | -76.4 | 121.1 | 159.1 | -86.1 | 177.4 | 160.9 | 0 | 0 | 107.7 | V206 V210 K224 | V206-E208 VanDerWaalsContact C-N 3.34Å; V206-E208 HydrophobicContact CG1-CG 4.18Å; V206-E208 PolarHBondContact O-N 3.34Å; V206-E208 VanDerWaalsContact O-N 3.08Å; E208-V210 VanDerWaalsContact C-N 3.28Å; E208-V210 PolarHBondContact O-N 2.88Å; E208-K224 IonicContact OE2-NZ 2.68Å; E208-K224 PolarHBondContact OE2-NZ 3.29Å | ||
| 209 | E | 43.3 | Very low | 55.5 | Low | 181 Ų | 181 | 120.1 Ų | 120.1 | 85% | 0.846 | 66% | 0.66 | S | S | * | * | trans | -61 | 94.3 | 163.3 | -79 | -174.1 | 163 | 0 | 0 | 108.4 | N211 | E209-N211 PolarHBondContact O-N 3.41Š| ||
| 210 | V | 47.7 | Very low | 54.2 | Low | 109 Ų | 109 | 122.2 Ų | 122.2 | 66% | 0.661 | 68% | 0.679 | S | S | * | * | trans | -72.4 | 99.3 | 168.7 | -172.8 | 0 | 0 | 0 | 0 | 106.7 | E208 V212 | E208-V210 VanDerWaalsContact C-N 3.28Å; E208-V210 PolarHBondContact O-N 2.88Å; V210-V212 HydrophobicContact CB-CG2 4.14Å; V210-V212 HydrophobicContact CG1-CG2 3.51Å; V210-V212 PolarHBondContact O-N 3.33Å | ||
| 211 | N | 47.2 | Very low | 53 | Low | 146 Ų | 146 | 123.1 Ų | 123.1 | 78% | 0.781 | 69% | 0.69 | S | S | * | * | trans | -67.3 | 85.5 | 164.1 | -83.8 | -18.6 | 0 | 0 | 0 | 108.6 | E209 T213 | E209-N211 PolarHBondContact O-N 3.41Å; N211-T213 PolarHBondContact O-N 3.1Å; N211-T213 VanDerWaalsContact O-N 3.14Å | ||
| 212 | V | 49.6 | Very low | 52.4 | Low | 104 Ų | 104 | 122 Ų | 122 | 63% | 0.63 | 69% | 0.69 | S | S | * | * | trans | -73.8 | 99.7 | 175.9 | -176.2 | 0 | 0 | 0 | 0 | 108.6 | V210 T214 | V210-V212 HydrophobicContact CB-CG2 4.14Å; V210-V212 HydrophobicContact CG1-CG2 3.51Å; V210-V212 PolarHBondContact O-N 3.33Å; V212-T214 HydrophobicContact CG1-CG2 4.13Å; V212-T214 PolarHBondContact O-N 3.24Å | ||
| 213 | T | 51 | Low | 51.4 | Low | 136 Ų | 136 | 125.7 Ų | 125.7 | 83% | 0.834 | 71% | 0.713 | S | S | * | * | trans | -76.5 | 105.2 | 156 | 38 | 0 | 0 | 0 | 0 | 107.8 | N211 V215 | N211-T213 PolarHBondContact O-N 3.1Å; N211-T213 VanDerWaalsContact O-N 3.14Å; T213-V215 PolarHBondContact O-N 2.84Å | ||
| 214 | T | 51 | Low | 50.8 | Low | 125 Ų | 125 | 127 Ų | 127 | 77% | 0.767 | 72% | 0.717 | S | S | * | * | trans | -63.7 | 111.3 | -178.7 | 36 | 0 | 0 | 0 | 0 | 112 | V212 | V212-T214 HydrophobicContact CG1-CG2 4.13Å; V212-T214 PolarHBondContact O-N 3.24Å | ||
| 215 | V | 49.8 | Very low | 50.2 | Low | 125 Ų | 125 | 132.8 Ų | 132.8 | 76% | 0.758 | 74% | 0.741 | S | S | * | * | trans | -135.1 | 110.5 | 151.8 | -172.3 | 0 | 0 | 0 | 0 | 108.5 | T213 | T213-V215 PolarHBondContact O-N 2.84Š| ||
| 216 | E | 47.8 | Very low | 50.2 | Low | 184 Ų | 184 | 130.2 Ų | 130.2 | 86% | 0.86 | 73% | 0.726 | S | S | * | * | S | Bend | trans | 47 | 93.9 | 159.9 | -64.5 | -179 | 156.2 | 0 | 0 | 118.7 | L218 | E216-L218 PolarHBondContact O-N 2.65Š|
| 217 | G | 52.5 | Low | 50.2 | Low | 82 Ų | 82 | 132.5 Ų | 132.5 | 85% | 0.845 | 73% | 0.731 | S | S | * | * | S | Bend | 81 | 16.7 | 120.8 | 0 | 0 | 0 | 0 | 0 | 119.2 | |||
| 218 | L | 47.3 | Very low | 51.2 | Low | 160 Ų | 160 | 129.5 Ų | 129.5 | 84% | 0.838 | 72% | 0.715 | S | S | * | * | trans | -131.3 | 86 | 167 | -136.8 | 86.9 | 0 | 0 | 0 | 110.7 | E216 A220 | E216-L218 PolarHBondContact O-N 2.65Å; L218-A220 VanDerWaalsContact C-N 3.26Å; L218-A220 PolarHBondContact O-N 3.49Å | ||
| 219 | V | 47.3 | Very low | 52.5 | Low | 136 Ų | 136 | 128.3 Ų | 128.3 | 82% | 0.824 | 71% | 0.712 | S | S | * | * | trans | -73.8 | 88.7 | 165.6 | -178.3 | 0 | 0 | 0 | 0 | 106.9 | N221 | V219-N221 PolarHBondContact O-N 3.4Š| ||
| 220 | A | 47.1 | Very low | 53.9 | Low | 68 Ų | 68 | 125 Ų | 125 | 56% | 0.562 | 70% | 0.699 | S | S | * | * | trans | -65.2 | 105.1 | 163.5 | 0 | 0 | 0 | 0 | 0 | 107 | L218 I222 | L218-A220 VanDerWaalsContact C-N 3.26Å; L218-A220 PolarHBondContact O-N 3.49Å; A220-I222 HydrophobicContact CB-CG1 4.14Å; A220-I222 PolarHBondContact O-N 2.89Å | ||
| 221 | N | 46.1 | Very low | 55.3 | Low | 149 Ų | 149 | 126.5 Ų | 126.5 | 80% | 0.797 | 70% | 0.697 | S | S | * | * | trans | -70.3 | 81.8 | 171 | -136.3 | 18.4 | 0 | 0 | 0 | 107 | V219 T223 | V219-N221 PolarHBondContact O-N 3.4Å; N221-T223 VanDerWaalsContact C-N 3.34Å; N221-T223 PolarHBondContact O-N 3.37Å | ||
| 222 | I | 54.8 | Low | 56.9 | Low | 129 Ų | 129 | 124.7 Ų | 124.7 | 66% | 0.662 | 68% | 0.682 | S | S | * | * | trans | -75.6 | 92.4 | 175.5 | -56 | 175.1 | 0 | 0 | 0 | 106.3 | A220 K224 | A220-I222 HydrophobicContact CB-CG1 4.14Å; A220-I222 PolarHBondContact O-N 2.89Å; I222-K224 HydrophobicContact CG2-CG 3.79Å; I222-K224 PolarHBondContact O-N 3.21Å | ||
| 223 | T | 50.3 | Low | 58.4 | Low | 134 Ų | 134 | 121.5 Ų | 121.5 | 82% | 0.822 | 66% | 0.664 | S | S | * | * | trans | -65 | 90.2 | 160 | 22 | 0 | 0 | 0 | 0 | 107.7 | N221 | N221-T223 VanDerWaalsContact C-N 3.34Å; N221-T223 PolarHBondContact O-N 3.37Å | ||
| 224 | K | 54.7 | Low | 60 | Low | 143 Ų | 143 | 119.8 Ų | 119.8 | 62% | 0.622 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 134 | 168.9 | -76.6 | -173.5 | 180 | 177 | 0 | 108.2 | E208 I222 | E208-K224 IonicContact OE2-NZ 2.68Å; E208-K224 PolarHBondContact OE2-NZ 3.29Å; I222-K224 HydrophobicContact CG2-CG 3.79Å; I222-K224 PolarHBondContact O-N 3.21Å |
| 225 | E | 54.4 | Low | 61.6 | Low | 174 Ų | 174 | 117.9 Ų | 117.9 | 81% | 0.813 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 139.8 | 173.8 | -65.9 | -169.8 | 165.1 | 0 | 0 | 110.2 | Q227 | E225-Q227 PolarHBondContact O-N 2.96Š|
| 226 | P | 58.4 | Low | 63.3 | Low | 60 Ų | 60 | 116.6 Ų | 116.6 | 39% | 0.39 | 62% | 0.616 | S | S | . | * | P | Polyproline II helix | trans | -60 | 122.7 | 179.4 | 23.2 | -32.5 | 0 | 0 | 0 | 110.7 | E203 F228 | E203-P226 HydrophobicContact CG-CB 3.75Å; E203-P226 VanDerWaalsContact OE1-CB 3.23Å; E203-P226 WeakPolarHBondContact OE1-CB 3.39Å; P226-F228 HydrophobicContact CB-CE2 4.2Å; P226-F228 HydrophobicContact CB-CZ 4.12Å; P226-F228 HydrophobicContact CG-CE2 3.89Å; P226-F228 HydrophobicContact CG-CZ 3.87Å; P226-F228 WeakPolarHBondContact O-CD2 3.17Å; P226-F228 WeakPolarHBondContact O-CE2 3.34Å; P226-F228 PolarHBondContact O-N 3.02Å |
| 227 | Q | 57.8 | Low | 64.7 | Low | 132 Ų | 132 | 111.3 Ų | 111.3 | 62% | 0.617 | 59% | 0.59 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -80.5 | 118.1 | 172 | -70.8 | -167.6 | -7.2 | 0 | 0 | 109.1 | V204 E225 | V204-Q227 PolarHBondContact N-O 3.13Å; E225-Q227 PolarHBondContact O-N 2.96Å |
| 228 | F | 70.9 | Confident | 65.7 | Low | 121 Ų | 121 | 112.8 Ų | 112.8 | 53% | 0.531 | 59% | 0.588 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.7 | 121.1 | 176.6 | -62.4 | -82.8 | 0 | 0 | 0 | 110 | K201 E203 P226 | K201-F228 HydrophobicContact CB-CD1 4.37Å; E203-F228 HydrophobicContact CB-CD1 4.33Å; E203-F228 HydrophobicContact CB-CE1 4.23Å; P226-F228 HydrophobicContact CB-CE2 4.2Å; P226-F228 HydrophobicContact CB-CZ 4.12Å; P226-F228 HydrophobicContact CG-CE2 3.89Å; P226-F228 HydrophobicContact CG-CZ 3.87Å; P226-F228 WeakPolarHBondContact O-CD2 3.17Å; P226-F228 WeakPolarHBondContact O-CE2 3.34Å; P226-F228 PolarHBondContact O-N 3.02Å |
| 229 | I | 73.3 | Confident | 66.6 | Low | 97 Ų | 97 | 106 Ų | 106 | 50% | 0.497 | 56% | 0.556 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.7 | 132.2 | 166.5 | -56.6 | -169.7 | 0 | 0 | 0 | 108.6 | V202 V204 K231 | V202-I229 PolarHBondContact N-O 2.76Å; V202-I229 PolarHBondContact O-N 2.8Å; V204-I229 HydrophobicContact CB-CD1 4.03Å; V204-I229 HydrophobicContact CB-CG1 4.02Å; V204-I229 HydrophobicContact CG1-CD1 4.22Å; V204-I229 HydrophobicContact CG2-CB 3.81Å; V204-I229 HydrophobicContact CG2-CD1 3.58Å; V204-I229 HydrophobicContact CG2-CG1 3.51Å; I229-K231 PolarHBondContact O-N 3.07Å |
| 230 | I | 72.8 | Confident | 67.6 | Low | 111 Ų | 111 | 101.4 Ų | 101.4 | 57% | 0.569 | 53% | 0.526 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78 | 110.5 | 175.1 | -60.7 | 179.7 | 0 | 0 | 0 | 108.3 | T199 | T199-I230 HydrophobicContact CG2-CG2 3.15Å |
| 231 | K | 76.9 | Confident | 68.9 | Low | 140 Ų | 140 | 98.4 Ų | 98.4 | 61% | 0.609 | 50% | 0.501 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108 | 123.1 | 175.7 | -168.6 | 173.9 | -178.9 | 176.6 | 0 | 110.2 | K200 V202 I229 | K200-K231 PolarHBondContact N-O 3.2Å; K200-K231 PolarHBondContact O-N 3.16Å; V202-K231 HydrophobicContact CG2-CB 3.98Å; V202-K231 HydrophobicContact CG2-CD 4.5Å; I229-K231 PolarHBondContact O-N 3.07Å |
| 232 | K | 80.4 | Confident | 69.9 | Low | 108 Ų | 108 | 91.8 Ų | 91.8 | 47% | 0.47 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 134.6 | 171.5 | -61.6 | -174.2 | -178.7 | -171.7 | 0 | 109.7 | D173 T197 | D173-K232 IonicContact OD1-NZ 2.76Å; D173-K232 PolarHBondContact OD1-NZ 3.27Å; D173-K232 VanDerWaalsContact OD2-CE 3.22Å; D173-K232 WeakPolarHBondContact OD2-CE 3.36Å; D173-K232 IonicContact OD2-NZ 2.84Å; D173-K232 PolarHBondContact OD2-NZ 3.31Å; T197-K232 HydrophobicContact CG2-CB 4.23Å; T197-K232 HydrophobicContact CG2-CD 4.42Å |
| 233 | S | 81.6 | Confident | 70.5 | Confident | 38 Ų | 38 | 86 Ų | 86 | 27% | 0.266 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 141.7 | 175.7 | 62 | 0 | 0 | 0 | 0 | 110.3 | V198 Q235 | V198-S233 PolarHBondContact N-O 3.4Å; V198-S233 PolarHBondContact O-N 3.22Å; V198-S233 PolarHBondContact O-OG 3.11Å; S233-Q235 PolarHBondContact OG-NE2 3.23Å |
| 234 | L | 84.8 | Confident | 71.8 | Confident | 100 Ų | 100 | 79.6 Ų | 79.6 | 52% | 0.524 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 129.7 | 170.3 | -64 | 174.4 | 0 | 0 | 0 | 108.6 | I195 T197 | I195-L234 HydrophobicContact CG2-CB 4.48Å; I195-L234 HydrophobicContact CG2-CD2 4.06Å; T197-L234 WeakPolarHBondContact OG1-CD2 3.41Å |
| 235 | Q | 85.1 | Confident | 73 | Confident | 84 Ų | 84 | 72.9 Ų | 72.9 | 39% | 0.393 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 143.1 | 176 | -62.8 | -173.7 | 17.2 | 0 | 0 | 110.3 | Q196 V198 S233 K237 | Q196-Q235 PolarHBondContact N-O 3.45Å; Q196-Q235 PolarHBondContact O-N 2.8Å; V198-Q235 HydrophobicContact CB-CG 4.38Å; V198-Q235 HydrophobicContact CG2-CB 4.07Å; V198-Q235 HydrophobicContact CG2-CG 4.29Å; S233-Q235 PolarHBondContact OG-NE2 3.23Å; Q235-K237 PolarHBondContact O-N 3.2Å |
| 236 | F | 84.6 | Confident | 73.9 | Confident | 98 Ų | 98 | 65 Ų | 65 | 43% | 0.43 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 116.9 | 170.3 | -66.5 | -77.2 | 0 | 0 | 0 | 109 | Q189 Q194 I195 | Q189-F236 VanDerWaalsContact NE2-CD1 3.28Å; Q194-F236 CarbonylContact O-C 3.53Å; Q194-F236 WeakPolarHBondContact O-CA 3.47Å; I195-F236 HydrophobicContact CD1-CE1 3.82Å; I195-F236 HydrophobicContact CD1-CZ 4.37Å; I195-F236 HydrophobicContact CG1-CD1 3.71Å; I195-F236 HydrophobicContact CG1-CE1 3.39Å; I195-F236 HydrophobicContact CG1-CZ 4.23Å |
| 237 | K | 77.8 | Confident | 74.7 | Confident | 73 Ų | 73 | 63.2 Ų | 63.2 | 32% | 0.317 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 146.6 | 169.1 | -75.3 | -160.1 | -176.6 | 170.5 | 0 | 110.3 | Q193 Q194 Q235 | Q193-K237 WeakPolarHBondContact CA-O 3.35Å; Q194-K237 PolarHBondContact N-O 3Å; Q194-K237 PolarHBondContact O-N 2.96Å; Q235-K237 PolarHBondContact O-N 3.2Å |
| 238 | S | 72.8 | Confident | 76.1 | Confident | 114 Ų | 114 | 60.6 Ų | 60.6 | 80% | 0.797 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 133.3 | 172.7 | -173.6 | 0 | 0 | 0 | 0 | 110 | ||
| 239 | G | 66.9 | Low | 76.8 | Confident | 16 Ų | 16 | 56 Ų | 56 | 17% | 0.165 | 29% | 0.29 | C | S | . | . | S | Bend | trans | 145.5 | 137.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 110 | F192 Q193 Q194 N241 | F192-G239 CarbonylContact C-O 3.26Å; F192-G239 CarbonylContact O-C 3.52Å; F192-G239 PolarHBondContact O-N 3.39Å; Q193-G239 CarbonylContact C-O 3.59Å; Q193-G239 WeakPolarHBondContact CA-O 3.34Å; Q193-G239 PolarHBondContact N-O 3.27Å; Q194-G239 PolarHBondContact N-O 2.97Å; G239-N241 PolarHBondContact O-N 3.35Å |
| 240 | M | 68.9 | Low | 77.1 | Confident | 40 Ų | 40 | 53.8 Ų | 53.8 | 20% | 0.197 | 28% | 0.279 | C | S | . | . | trans | -65.7 | 124 | 178.3 | -179.8 | 166.6 | 64.1 | 0 | 0 | 110.3 | I100 L101 C191 V242 L245 | I100-M240 HydrophobicContact CB-CE 4.01Å; I100-M240 HydrophobicContact CG2-CE 3.5Å; I100-M240 VanDerWaalsContact CG2-CE 3.5Å; L101-M240 HydrophobicContact CB-SD 3.92Å; L101-M240 HydrophobicContact CD1-SD 4.06Å; L101-M240 HydrophobicContact CG-SD 4.48Å; C191-M240 WeakPolarHBondContact O-CB 3.38Å; C191-M240 WeakPolarHBondContact O-CG 3.44Å; M240-V242 HydrophobicContact CB-CG2 4.27Å; M240-V242 HydrophobicContact CE-CG2 3.48Å; M240-V242 VanDerWaalsContact CE-CG2 3.48Å; M240-V242 HydrophobicContact CG-CG2 3.81Å; M240-V242 PolarHBondContact O-N 3.49Å; M240-V242 HydrophobicContact SD-CG2 4.28Å; M240-L245 HydrophobicContact CG-CD1 3.82Å; M240-L245 HydrophobicContact SD-CD1 4.07Å | ||
| 241 | N | 73.4 | Confident | 77.6 | Confident | 6 Ų | 6 | 50.9 Ų | 50.9 | 3% | 0.032 | 27% | 0.272 | C | S | . | . | trans | -76.9 | 77.7 | 169.8 | 179.1 | 7.4 | 0 | 0 | 0 | 110 | N181 A190 Q193 Q194 G239 L243 G244 L245 | N181-N241 PolarHBondContact O-ND2 3Å; N181-N241 PolarHBondContact O-OD1 3.49Å; A190-N241 HydrophobicContact CB-CB 4.08Å; A190-N241 PolarHBondContact O-N 2.86Å; Q193-N241 WeakPolarHBondContact O-CB 3.4Å; Q194-N241 HydrophobicContact CB-CB 3.96Å; G239-N241 PolarHBondContact O-N 3.35Å; N241-L243 VanDerWaalsContact C-N 3.26Å; N241-L243 PolarHBondContact O-N 3.47Å; N241-L243 PolarHBondContact OD1-N 3Å; N241-G244 PolarHBondContact O-N 2.93Å; N241-G244 PolarHBondContact OD1-N 3.48Å; N241-L245 WeakPolarHBondContact O-CG 3.49Å; N241-L245 PolarHBondContact O-N 3.15Å | ||
| 242 | V | 67.7 | Low | 78.2 | Confident | 9 Ų | 9 | 47.7 Ų | 47.7 | 6% | 0.055 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.1 | -37.2 | 179.5 | 177.7 | 0 | 0 | 0 | 0 | 111.6 | I104 M240 G244 L245 I246 L452 | I104-V242 HydrophobicContact CD1-CG1 3.68Å; M240-V242 HydrophobicContact CB-CG2 4.27Å; M240-V242 HydrophobicContact CE-CG2 3.48Å; M240-V242 VanDerWaalsContact CE-CG2 3.48Å; M240-V242 HydrophobicContact CG-CG2 3.81Å; M240-V242 PolarHBondContact O-N 3.49Å; M240-V242 HydrophobicContact SD-CG2 4.28Å; V242-G244 PolarHBondContact O-N 3.45Å; V242-L245 PolarHBondContact O-N 2.94Å; V242-I246 HydrophobicContact CG1-CD1 3.63Å; V242-I246 HydrophobicContact CG1-CG1 4.19Å; V242-I246 WeakPolarHBondContact O-CD1 3.21Å; V242-I246 VanDerWaalsContact O-CG1 3.25Å; V242-I246 WeakPolarHBondContact O-CG1 3.43Å; V242-I246 PolarHBondContact O-N 3.46Å; V242-L452 HydrophobicContact CB-CD1 3.98Å; V242-L452 HydrophobicContact CG1-CD1 4.35Å |
| 243 | L | 67.8 | Low | 78.2 | Confident | 8 Ų | 8 | 42.5 Ų | 42.5 | 4% | 0.042 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61 | -47.9 | -179.3 | -175.9 | 62.9 | 0 | 0 | 0 | 112.2 | L178 N181 L182 N241 L245 I246 G247 L434 L452 | L178-L243 HydrophobicContact CD1-CD2 3.3Å; L178-L243 HydrophobicContact CG-CD2 4.05Å; L178-L243 WeakPolarHBondContact O-CD2 3.48Å; N181-L243 HydrophobicContact CB-CD2 4.4Å; L182-L243 HydrophobicContact CB-CD2 4.2Å; L182-L243 HydrophobicContact CB-CG 4.31Å; L182-L243 HydrophobicContact CD1-CD1 4.05Å; L182-L243 HydrophobicContact CD1-CG 3.98Å; N241-L243 VanDerWaalsContact C-N 3.26Å; N241-L243 PolarHBondContact O-N 3.47Å; N241-L243 PolarHBondContact OD1-N 3Å; L243-L245 VanDerWaalsContact C-N 3.32Å; L243-L245 PolarHBondContact O-N 3.34Å; L243-I246 PolarHBondContact O-N 2.96Å; L243-G247 PolarHBondContact O-N 3.39Å; L243-L434 HydrophobicContact CD1-CB 4.27Å; L243-L434 HydrophobicContact CD1-CD1 4.26Å; L243-L452 HydrophobicContact CB-CD1 3.77Å |
| 244 | G | 77.8 | Confident | 78.2 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65 | -37.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | N181 N241 V242 F248 | N181-G244 WeakPolarHBondContact O-CA 3.39Å; N181-G244 PolarHBondContact O-N 3.33Å; N181-G244 VanDerWaalsContact O-N 3.14Å; N241-G244 PolarHBondContact O-N 2.93Å; N241-G244 PolarHBondContact OD1-N 3.48Å; V242-G244 PolarHBondContact O-N 3.45Å; G244-F248 VanDerWaalsContact O-CB 3.29Å; G244-F248 WeakPolarHBondContact O-CB 3.33Å; G244-F248 PolarHBondContact O-N 3.3Å |
| 245 | L | 78.8 | Confident | 78.2 | Confident | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.9 | -47.2 | 174.4 | -65.1 | 169.3 | 0 | 0 | 0 | 111 | L101 A190 M240 N241 V242 L243 F248 F249 | L101-L245 HydrophobicContact CD1-CD1 3.45Å; L101-L245 VanDerWaalsContact CD1-CD1 3.45Å; L101-L245 HydrophobicContact CD1-CD2 4.4Å; A190-L245 HydrophobicContact CB-CD2 4.22Å; A190-L245 HydrophobicContact CB-CG 4.36Å; M240-L245 HydrophobicContact CG-CD1 3.82Å; M240-L245 HydrophobicContact SD-CD1 4.07Å; N241-L245 WeakPolarHBondContact O-CG 3.49Å; N241-L245 PolarHBondContact O-N 3.15Å; V242-L245 PolarHBondContact O-N 2.94Å; L243-L245 VanDerWaalsContact C-N 3.32Å; L243-L245 PolarHBondContact O-N 3.34Å; L245-F248 PolarHBondContact O-N 3.47Å; L245-F249 HydrophobicContact CB-CD2 4.37Å; L245-F249 HydrophobicContact CD2-CE2 4.07Å; L245-F249 WeakPolarHBondContact O-CB 3.41Å; L245-F249 WeakPolarHBondContact O-CD2 3.33Å; L245-F249 PolarHBondContact O-N 3.35Å |
| 246 | I | 73.2 | Confident | 78.2 | Confident | 7 Ų | 7 | 39.3 Ų | 39.3 | 4% | 0.036 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.5 | -53.9 | 175.5 | -66.8 | 161.7 | 0 | 0 | 0 | 110 | I104 L108 V242 L243 F248 F249 I250 | I104-I246 HydrophobicContact CG2-CG1 4.13Å; L108-I246 HydrophobicContact CD1-CB 4.23Å; L108-I246 HydrophobicContact CD1-CG1 4.06Å; L108-I246 HydrophobicContact CD1-CG2 4.1Å; V242-I246 HydrophobicContact CG1-CD1 3.63Å; V242-I246 HydrophobicContact CG1-CG1 4.19Å; V242-I246 WeakPolarHBondContact O-CD1 3.21Å; V242-I246 VanDerWaalsContact O-CG1 3.25Å; V242-I246 WeakPolarHBondContact O-CG1 3.43Å; V242-I246 PolarHBondContact O-N 3.46Å; L243-I246 PolarHBondContact O-N 2.96Å; I246-F248 VanDerWaalsContact C-N 3.32Å; I246-F248 PolarHBondContact O-N 2.95Å; I246-F249 PolarHBondContact O-N 3.43Å; I246-I250 HydrophobicContact CG2-CD1 3.45Å; I246-I250 VanDerWaalsContact CG2-CD1 3.45Å; I246-I250 HydrophobicContact CG2-CG1 4.05Å; I246-I250 WeakPolarHBondContact O-CB 3.22Å; I246-I250 WeakPolarHBondContact O-CG1 3.37Å; I246-I250 PolarHBondContact O-N 3.43Å |
| 247 | G | 75.7 | Confident | 78 | Confident | 23 Ų | 23 | 35 Ų | 35 | 24% | 0.237 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -55.8 | -45.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L243 A251 | L243-G247 PolarHBondContact O-N 3.39Å; G247-A251 PolarHBondContact O-N 2.88Å |
| 248 | F | 88.3 | Confident | 78.2 | Confident | 77 Ų | 77 | 38.8 Ų | 38.8 | 34% | 0.338 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64.7 | -50.8 | 176.1 | 178.1 | -94.9 | 0 | 0 | 0 | 112.5 | L187 G244 L245 I246 I250 A251 F252 | L187-F248 HydrophobicContact CD1-CD1 3.75Å; L187-F248 HydrophobicContact CD1-CD2 4.03Å; L187-F248 HydrophobicContact CD1-CE1 3.44Å; L187-F248 VanDerWaalsContact CD1-CE1 3.44Å; L187-F248 HydrophobicContact CD1-CE2 3.73Å; L187-F248 HydrophobicContact CD1-CG 4.04Å; L187-F248 HydrophobicContact CD1-CZ 3.43Å; L187-F248 VanDerWaalsContact CD1-CZ 3.43Å; L187-F248 HydrophobicContact CD2-CB 3.79Å; L187-F248 HydrophobicContact CD2-CD1 3.72Å; L187-F248 HydrophobicContact CD2-CD2 3.89Å; L187-F248 HydrophobicContact CD2-CE1 4.31Å; L187-F248 HydrophobicContact CD2-CE2 4.45Å; L187-F248 HydrophobicContact CD2-CG 3.5Å; L187-F248 VanDerWaalsContact CD2-CG 3.5Å; L187-F248 HydrophobicContact CG-CD1 4.41Å; L187-F248 HydrophobicContact CG-CD2 4.46Å; L187-F248 HydrophobicContact CG-CG 4.39Å; G244-F248 VanDerWaalsContact O-CB 3.29Å; G244-F248 WeakPolarHBondContact O-CB 3.33Å; G244-F248 PolarHBondContact O-N 3.3Å; L245-F248 PolarHBondContact O-N 3.47Å; I246-F248 VanDerWaalsContact C-N 3.32Å; I246-F248 PolarHBondContact O-N 2.95Å; F248-I250 VanDerWaalsContact C-N 3.3Å; F248-I250 PolarHBondContact O-N 3.49Å; F248-A251 PolarHBondContact O-N 3.3Å; F248-F252 HydrophobicContact CE1-CB 4.22Å; F248-F252 HydrophobicContact CE1-CD2 4.15Å; F248-F252 HydrophobicContact CE1-CG 4.34Å; F248-F252 HydrophobicContact CZ-CD2 4.12Å; F248-F252 WeakPolarHBondContact O-CB 3.46Å; F248-F252 PolarHBondContact O-N 3.44Å |
| 249 | F | 84.4 | Confident | 78.7 | Confident | 24 Ų | 24 | 38.6 Ų | 38.6 | 11% | 0.105 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -73.2 | -22.3 | -174.9 | -74.9 | -63.9 | 0 | 0 | 0 | 113.5 | I105 I109 L245 I246 F252 G253 | I105-F249 HydrophobicContact CB-CD2 4.44Å; I105-F249 HydrophobicContact CB-CE2 4.35Å; I105-F249 HydrophobicContact CB-CZ 4.45Å; I105-F249 HydrophobicContact CD1-CD2 4.46Å; I105-F249 HydrophobicContact CD1-CE2 3.67Å; I105-F249 HydrophobicContact CD1-CZ 3.85Å; I105-F249 HydrophobicContact CG1-CD2 3.74Å; I105-F249 HydrophobicContact CG1-CE2 3.44Å; I105-F249 VanDerWaalsContact CG1-CE2 3.44Å; I105-F249 HydrophobicContact CG1-CG 4.44Å; I105-F249 HydrophobicContact CG1-CZ 3.87Å; I105-F249 HydrophobicContact CG2-CD1 4.06Å; I105-F249 HydrophobicContact CG2-CD2 4.42Å; I105-F249 HydrophobicContact CG2-CE1 3.73Å; I105-F249 HydrophobicContact CG2-CE2 4.18Å; I105-F249 HydrophobicContact CG2-CG 4.39Å; I105-F249 HydrophobicContact CG2-CZ 3.8Å; I109-F249 HydrophobicContact CD1-CD1 3.53Å; I109-F249 HydrophobicContact CD1-CE1 3.91Å; I109-F249 HydrophobicContact CD1-CG 4.44Å; I109-F249 HydrophobicContact CG1-CB 4.32Å; I109-F249 HydrophobicContact CG1-CD1 3.88Å; I109-F249 HydrophobicContact CG1-CG 4.46Å; L245-F249 HydrophobicContact CB-CD2 4.37Å; L245-F249 HydrophobicContact CD2-CE2 4.07Å; L245-F249 WeakPolarHBondContact O-CB 3.41Å; L245-F249 WeakPolarHBondContact O-CD2 3.33Å; L245-F249 PolarHBondContact O-N 3.35Å; I246-F249 PolarHBondContact O-N 3.43Å; F249-F252 HydrophobicContact CD1-CB 4.27Å; F249-F252 HydrophobicContact CD1-CD1 4.23Å; F249-F252 HydrophobicContact CD1-CG 4.38Å; F249-G253 PolarHBondContact O-N 2.75Å |
| 250 | I | 79.4 | Confident | 79.3 | Confident | 51 Ų | 51 | 39.8 Ų | 39.8 | 26% | 0.262 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62.6 | -54 | 165.6 | -71.4 | 174.6 | 0 | 0 | 0 | 110.2 | L112 I246 F248 F252 G253 I254 V437 | L112-I250 VanDerWaalsContact CD1-CA 3.46Å; L112-I250 HydrophobicContact CD1-CB 3.88Å; L112-I250 HydrophobicContact CD1-CG1 3.76Å; L112-I250 HydrophobicContact CD1-CG2 3.89Å; I246-I250 HydrophobicContact CG2-CD1 3.45Å; I246-I250 VanDerWaalsContact CG2-CD1 3.45Å; I246-I250 HydrophobicContact CG2-CG1 4.05Å; I246-I250 WeakPolarHBondContact O-CB 3.22Å; I246-I250 WeakPolarHBondContact O-CG1 3.37Å; I246-I250 PolarHBondContact O-N 3.43Å; F248-I250 VanDerWaalsContact C-N 3.3Å; F248-I250 PolarHBondContact O-N 3.49Å; I250-F252 VanDerWaalsContact C-N 3.28Å; I250-F252 PolarHBondContact O-N 3.11Å; I250-G253 PolarHBondContact O-N 2.93Å; I250-I254 HydrophobicContact CG2-CD1 3.82Å; I250-I254 VanDerWaalsContact O-CG1 3.3Å; I250-I254 WeakPolarHBondContact O-CG1 3.41Å; I250-I254 PolarHBondContact O-N 3.24Å; I250-V437 HydrophobicContact CD1-CG1 4.44Å |
| 251 | A | 84.6 | Confident | 80 | Confident | 51 Ų | 51 | 45.4 Ų | 45.4 | 42% | 0.421 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.7 | -40.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | G247 F248 I254 C255 | G247-A251 PolarHBondContact O-N 2.88Å; F248-A251 PolarHBondContact O-N 3.3Å; A251-I254 PolarHBondContact O-N 2.88Å; A251-C255 WeakPolarHBondContact O-CB 3.26Å; A251-C255 PolarHBondContact O-N 3.1Å; A251-C255 PolarHBondContact O-SG 3.03Å |
| 252 | F | 88.1 | Confident | 80.7 | Confident | 72 Ų | 72 | 54.1 Ų | 54.1 | 32% | 0.316 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.9 | -48.8 | 177 | -171.1 | -97.7 | 0 | 0 | 0 | 112.2 | I109 F248 F249 I250 I254 C255 M256 F270 | I109-F252 HydrophobicContact CD1-CD1 3.74Å; I109-F252 HydrophobicContact CD1-CE1 3.9Å; I109-F252 HydrophobicContact CG1-CD1 3.93Å; I109-F252 HydrophobicContact CG1-CE1 4.48Å; I109-F252 HydrophobicContact CG2-CD1 4.42Å; F248-F252 HydrophobicContact CE1-CB 4.22Å; F248-F252 HydrophobicContact CE1-CD2 4.15Å; F248-F252 HydrophobicContact CE1-CG 4.34Å; F248-F252 HydrophobicContact CZ-CD2 4.12Å; F248-F252 WeakPolarHBondContact O-CB 3.46Å; F248-F252 PolarHBondContact O-N 3.44Å; F249-F252 HydrophobicContact CD1-CB 4.27Å; F249-F252 HydrophobicContact CD1-CD1 4.23Å; F249-F252 HydrophobicContact CD1-CG 4.38Å; I250-F252 VanDerWaalsContact C-N 3.28Å; I250-F252 PolarHBondContact O-N 3.11Å; F252-I254 PolarHBondContact O-N 3.26Å; F252-C255 PolarHBondContact O-N 3.15Å; F252-M256 HydrophobicContact CD1-CG 4.34Å; F252-M256 HydrophobicContact CD1-SD 3.64Å; F252-M256 HydrophobicContact CE1-CG 4.12Å; F252-M256 HydrophobicContact CE1-SD 3.15Å; F252-M256 WeakPolarHBondContact CE1-SD 3.46Å; F252-M256 HydrophobicContact CZ-CG 4.49Å; F252-M256 HydrophobicContact CZ-SD 3.86Å; F252-M256 PolarHBondContact O-N 2.97Å; F252-F270 HydrophobicContact CE1-CE2 4.06Å |
| 253 | G | 81.7 | Confident | 81.7 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.9 | -42.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A113 F249 I250 M256 G257 | A113-G253 WeakPolarHBondContact CA-O 3.32Å; F249-G253 PolarHBondContact O-N 2.75Å; I250-G253 PolarHBondContact O-N 2.93Å; G253-M256 PolarHBondContact O-N 3.47Å; G253-G257 PolarHBondContact O-N 2.93Å |
| 254 | I | 80 | Confident | 82.5 | Confident | 72 Ų | 72 | 61.2 Ų | 61.2 | 37% | 0.369 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.9 | -43.5 | 176 | -66.6 | 167.5 | 0 | 0 | 0 | 111.2 | L112 I250 A251 F252 G257 K258 | L112-I254 HydrophobicContact CB-CG1 4.48Å; I250-I254 HydrophobicContact CG2-CD1 3.82Å; I250-I254 VanDerWaalsContact O-CG1 3.3Å; I250-I254 WeakPolarHBondContact O-CG1 3.41Å; I250-I254 PolarHBondContact O-N 3.24Å; A251-I254 PolarHBondContact O-N 2.88Å; F252-I254 PolarHBondContact O-N 3.26Å; I254-G257 PolarHBondContact O-N 3.17Å; I254-K258 WeakPolarHBondContact O-CG 3.27Å; I254-K258 PolarHBondContact O-N 2.78Å; I254-K258 VanDerWaalsContact O-N 3.12Å |
| 255 | C | 86.3 | Confident | 83.2 | Confident | 74 Ų | 74 | 67.2 Ų | 67.2 | 50% | 0.5 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.2 | -43 | 176 | -75.9 | 0 | 0 | 0 | 0 | 111.6 | A251 F252 K258 M259 | A251-C255 WeakPolarHBondContact O-CB 3.26Å; A251-C255 PolarHBondContact O-N 3.1Å; A251-C255 PolarHBondContact O-SG 3.03Å; F252-C255 PolarHBondContact O-N 3.15Å; C255-K258 PolarHBondContact O-N 3.39Å; C255-M259 WeakPolarHBondContact O-CG 3.29Å; C255-M259 PolarHBondContact O-N 3.47Å |
| 256 | M | 84.7 | Confident | 83.8 | Confident | 9 Ų | 9 | 71.1 Ų | 71.1 | 4% | 0.044 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60.2 | -45.6 | 174.6 | -80.8 | -178.7 | 47.6 | 0 | 0 | 112.3 | I109 A113 F252 G253 K258 M259 A263 M266 I267 F270 | I109-M256 HydrophobicContact CG2-CE 3.69Å; I109-M256 HydrophobicContact CG2-SD 3.68Å; A113-M256 HydrophobicContact CB-CB 4.08Å; A113-M256 HydrophobicContact CB-CE 4.31Å; F252-M256 HydrophobicContact CD1-CG 4.34Å; F252-M256 HydrophobicContact CD1-SD 3.64Å; F252-M256 HydrophobicContact CE1-CG 4.12Å; F252-M256 HydrophobicContact CE1-SD 3.15Å; F252-M256 WeakPolarHBondContact CE1-SD 3.46Å; F252-M256 HydrophobicContact CZ-CG 4.49Å; F252-M256 HydrophobicContact CZ-SD 3.86Å; F252-M256 PolarHBondContact O-N 2.97Å; G253-M256 PolarHBondContact O-N 3.47Å; M256-K258 PolarHBondContact O-N 3.48Å; M256-M259 WeakPolarHBondContact O-CB 3.36Å; M256-M259 PolarHBondContact O-N 2.91Å; M256-A263 HydrophobicContact CB-CB 4.13Å; M256-A263 HydrophobicContact CG-CB 4.34Å; M256-A263 VanDerWaalsContact O-CB 3.3Å; M256-A263 WeakPolarHBondContact O-CB 3.32Å; M256-M266 HydrophobicContact CE-CB 3.66Å; M256-M266 HydrophobicContact SD-CB 4.24Å; M256-I267 HydrophobicContact CE-CB 4.2Å; M256-I267 HydrophobicContact CE-CD1 4.48Å; M256-I267 HydrophobicContact CE-CG1 3.33Å; M256-F270 HydrophobicContact CE-CD2 4.47Å |
| 257 | G | 79.4 | Confident | 84.4 | Confident | 8 Ų | 8 | 72.8 Ų | 72.8 | 8% | 0.082 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -58.2 | -36.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | G253 I254 M259 | G253-G257 PolarHBondContact O-N 2.93Å; I254-G257 PolarHBondContact O-N 3.17Å; G257-M259 VanDerWaalsContact C-N 3.33Å; G257-M259 PolarHBondContact O-N 3.41Å |
| 258 | K | 82.1 | Confident | 85 | Confident | 151 Ų | 151 | 76.9 Ų | 76.9 | 66% | 0.657 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -72 | -21 | 176.2 | -71.3 | 179.8 | 179.3 | 179.9 | 0 | 114.4 | A117 I254 C255 M256 G260 | A117-K258 HydrophobicContact CB-CG 4.11Å; I254-K258 WeakPolarHBondContact O-CG 3.27Å; I254-K258 PolarHBondContact O-N 2.78Å; I254-K258 VanDerWaalsContact O-N 3.12Å; C255-K258 PolarHBondContact O-N 3.39Å; M256-K258 PolarHBondContact O-N 3.48Å; K258-G260 VanDerWaalsContact C-N 3.3Å |
| 259 | M | 84.5 | Confident | 85.2 | Confident | 111 Ų | 111 | 78.7 Ų | 78.7 | 55% | 0.547 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -9.5 | -179.9 | -71 | 173.5 | 72.4 | 0 | 0 | 113.3 | C255 M256 G257 E261 K262 A263 | C255-M259 WeakPolarHBondContact O-CG 3.29Å; C255-M259 PolarHBondContact O-N 3.47Å; M256-M259 WeakPolarHBondContact O-CB 3.36Å; M256-M259 PolarHBondContact O-N 2.91Å; G257-M259 VanDerWaalsContact C-N 3.33Å; G257-M259 PolarHBondContact O-N 3.41Å; M259-E261 PolarHBondContact O-N 3.47Å; M259-K262 PolarHBondContact O-N 2.88Å; M259-A263 HydrophobicContact CB-CB 3.93Å |
| 260 | G | 79.2 | Confident | 85.3 | Confident | 41 Ų | 41 | 78.8 Ų | 78.8 | 42% | 0.423 | 39% | 0.392 | S | S | . | . | G | 310 helix | trans | 58.3 | -132.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | K258 K262 A263 | K258-G260 VanDerWaalsContact C-N 3.3Å; G260-K262 PolarHBondContact O-N 3.35Å; G260-K262 VanDerWaalsContact O-N 3.15Å; G260-A263 PolarHBondContact O-N 3.25Å |
| 261 | E | 83.4 | Confident | 85.5 | Confident | 158 Ų | 158 | 78.2 Ų | 78.2 | 74% | 0.738 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -57.7 | -31.7 | -174.7 | -70.2 | -134.8 | 127.4 | 0 | 0 | 114.5 | M259 A263 R264 | M259-E261 PolarHBondContact O-N 3.47Å; E261-A263 PolarHBondContact O-N 2.98Å; E261-R264 WeakPolarHBondContact O-CB 3.46Å; E261-R264 PolarHBondContact O-N 3.41Å; E261-R264 IonicContact OE1-NH1 3.14Å |
| 262 | K | 87.5 | Confident | 85.6 | Confident | 188 Ų | 188 | 79.7 Ų | 79.7 | 82% | 0.817 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -62.2 | -27.9 | 179.3 | -69 | -175.3 | 179.1 | -179.7 | 0 | 112.6 | M259 G260 | M259-K262 PolarHBondContact O-N 2.88Å; G260-K262 PolarHBondContact O-N 3.35Å; G260-K262 VanDerWaalsContact O-N 3.15Å |
| 263 | A | 88.1 | Confident | 85.5 | Confident | 4 Ų | 4 | 78.6 Ų | 78.6 | 3% | 0.033 | 39% | 0.39 | C | S | . | . | G | 310 helix | trans | -90.3 | -5.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | M256 M259 G260 E261 L265 M266 I267 | M256-A263 HydrophobicContact CB-CB 4.13Å; M256-A263 HydrophobicContact CG-CB 4.34Å; M256-A263 VanDerWaalsContact O-CB 3.3Å; M256-A263 WeakPolarHBondContact O-CB 3.32Å; M259-A263 HydrophobicContact CB-CB 3.93Å; G260-A263 PolarHBondContact O-N 3.25Å; E261-A263 PolarHBondContact O-N 2.98Å; A263-L265 VanDerWaalsContact C-N 3.33Å; A263-L265 PolarHBondContact O-N 3.11Å; A263-M266 PolarHBondContact O-N 3.25Å; A263-I267 HydrophobicContact CB-CD1 4.33Å; A263-I267 WeakPolarHBondContact O-CG1 3.39Å; A263-I267 PolarHBondContact O-N 3.25Å |
| 264 | R | 86.3 | Confident | 85.3 | Confident | 162 Ų | 162 | 80.5 Ų | 80.5 | 61% | 0.611 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -54.4 | -45.4 | -172.9 | -174.7 | 174.9 | 177.3 | 171 | -0.4 | 113.2 | E261 M266 I267 E268 | E261-R264 WeakPolarHBondContact O-CB 3.46Å; E261-R264 PolarHBondContact O-N 3.41Å; E261-R264 IonicContact OE1-NH1 3.14Å; R264-M266 VanDerWaalsContact C-N 3.29Å; R264-M266 PolarHBondContact O-N 2.74Å; R264-I267 PolarHBondContact O-N 3.19Å; R264-E268 WeakPolarHBondContact O-CB 3.23Å; R264-E268 PolarHBondContact O-N 2.97Å |
| 265 | L | 92.4 | Very high | 85.2 | Confident | 126 Ų | 126 | 82.4 Ų | 82.4 | 66% | 0.66 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -59 | -40.2 | 177.7 | -178.2 | 67.1 | 0 | 0 | 0 | 112.2 | A263 F269 | A263-L265 VanDerWaalsContact C-N 3.33Å; A263-L265 PolarHBondContact O-N 3.11Å; L265-F269 WeakPolarHBondContact O-CB 3.47Å; L265-F269 PolarHBondContact O-N 3.09Å |
| 266 | M | 90.3 | Very high | 85.1 | Confident | 84 Ų | 84 | 83 Ų | 83 | 41% | 0.414 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -72.9 | -40.4 | 178.8 | -68 | -67 | 94.4 | 0 | 0 | 111.8 | M256 A263 R264 E268 F269 F270 | M256-M266 HydrophobicContact CE-CB 3.66Å; M256-M266 HydrophobicContact SD-CB 4.24Å; A263-M266 PolarHBondContact O-N 3.25Å; R264-M266 VanDerWaalsContact C-N 3.29Å; R264-M266 PolarHBondContact O-N 2.74Å; M266-E268 VanDerWaalsContact C-N 3.31Å; M266-E268 PolarHBondContact O-N 3.34Å; M266-F269 PolarHBondContact O-N 2.99Å; M266-F270 WeakPolarHBondContact O-CD2 3.36Å; M266-F270 PolarHBondContact O-N 3.18Å |
| 267 | I | 85.3 | Confident | 84.6 | Confident | 42 Ų | 42 | 82.9 Ų | 82.9 | 22% | 0.215 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -59.5 | -46.6 | 175.3 | -63.9 | 172.5 | 0 | 0 | 0 | 109.9 | A113 M256 A263 R264 F270 S271 | A113-I267 HydrophobicContact CB-CD1 3.79Å; A113-I267 HydrophobicContact CB-CG1 3.7Å; M256-I267 HydrophobicContact CE-CB 4.2Å; M256-I267 HydrophobicContact CE-CD1 4.48Å; M256-I267 HydrophobicContact CE-CG1 3.33Å; A263-I267 HydrophobicContact CB-CD1 4.33Å; A263-I267 WeakPolarHBondContact O-CG1 3.39Å; A263-I267 PolarHBondContact O-N 3.25Å; R264-I267 PolarHBondContact O-N 3.19Å; I267-F270 PolarHBondContact O-N 2.81Å; I267-S271 WeakPolarHBondContact O-CB 3.43Å; I267-S271 PolarHBondContact O-N 2.99Å |
| 268 | E | 88.4 | Confident | 84.1 | Confident | 110 Ų | 110 | 84.5 Ų | 84.5 | 51% | 0.514 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.3 | -41.9 | 179.3 | -171.4 | 169.7 | -171.9 | 0 | 0 | 112 | R264 M266 F270 S271 I272 | R264-E268 WeakPolarHBondContact O-CB 3.23Å; R264-E268 PolarHBondContact O-N 2.97Å; M266-E268 VanDerWaalsContact C-N 3.31Å; M266-E268 PolarHBondContact O-N 3.34Å; E268-F270 PolarHBondContact O-N 3.07Å; E268-S271 PolarHBondContact O-N 3.14Å; E268-I272 HydrophobicContact CG-CD1 4.02Å; E268-I272 WeakPolarHBondContact O-CG1 3.42Å; E268-I272 PolarHBondContact O-N 3.44Å |
| 269 | F | 92.9 | Very high | 83.8 | Confident | 115 Ų | 115 | 83.8 Ų | 83.8 | 50% | 0.504 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -55.4 | -50.7 | 173 | 171.2 | -95.2 | 0 | 0 | 0 | 112.3 | L265 M266 S271 I272 L273 | L265-F269 WeakPolarHBondContact O-CB 3.47Å; L265-F269 PolarHBondContact O-N 3.09Å; M266-F269 PolarHBondContact O-N 2.99Å; F269-S271 VanDerWaalsContact C-N 3.34Å; F269-S271 PolarHBondContact O-N 3.33Å; F269-I272 PolarHBondContact O-N 3.27Å; F269-L273 HydrophobicContact CE1-CD2 4.4Å; F269-L273 WeakPolarHBondContact O-CB 3.49Å; F269-L273 PolarHBondContact O-N 3.31Å |
| 270 | F | 87.6 | Confident | 83.5 | Confident | 26 Ų | 26 | 81.7 Ų | 81.7 | 11% | 0.114 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -68.7 | -33 | -180 | -77.1 | -67.3 | 0 | 0 | 0 | 112.6 | I105 S106 I109 F252 M256 M266 I267 E268 L273 N274 | I105-F270 HydrophobicContact CG2-CD1 4.21Å; I105-F270 HydrophobicContact CG2-CE1 3.63Å; I105-F270 HydrophobicContact CG2-CZ 4.43Å; S106-F270 WeakPolarHBondContact CB-O 3.45Å; I109-F270 HydrophobicContact CB-CB 4.39Å; I109-F270 HydrophobicContact CB-CD2 4.32Å; I109-F270 HydrophobicContact CB-CG 4.22Å; I109-F270 HydrophobicContact CD1-CD1 3.74Å; I109-F270 HydrophobicContact CD1-CD2 3.79Å; I109-F270 HydrophobicContact CD1-CE1 3.53Å; I109-F270 HydrophobicContact CD1-CE2 3.59Å; I109-F270 HydrophobicContact CD1-CG 3.88Å; I109-F270 HydrophobicContact CD1-CZ 3.45Å; I109-F270 VanDerWaalsContact CD1-CZ 3.45Å; I109-F270 HydrophobicContact CG2-CB 4.17Å; I109-F270 HydrophobicContact CG2-CD2 3.66Å; I109-F270 HydrophobicContact CG2-CE2 4.28Å; I109-F270 HydrophobicContact CG2-CG 3.98Å; F252-F270 HydrophobicContact CE1-CE2 4.06Å; M256-F270 HydrophobicContact CE-CD2 4.47Å; M266-F270 WeakPolarHBondContact O-CD2 3.36Å; M266-F270 PolarHBondContact O-N 3.18Å; I267-F270 PolarHBondContact O-N 2.81Å; E268-F270 PolarHBondContact O-N 3.07Å; F270-L273 HydrophobicContact CD1-CD2 4.2Å; F270-L273 HydrophobicContact CE1-CD2 4.48Å; F270-L273 PolarHBondContact O-N 3.46Å; F270-N274 WeakPolarHBondContact O-CB 3.26Å; F270-N274 PolarHBondContact O-N 2.96Å |
| 271 | S | 82.3 | Confident | 82.8 | Confident | 38 Ų | 38 | 80 Ų | 80 | 27% | 0.266 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.7 | -48.1 | 173.5 | -171.4 | 0 | 0 | 0 | 0 | 111.5 | T110 I267 E268 F269 L273 N274 E275 | T110-S271 PolarHBondContact OG1-N 2.78Å; I267-S271 WeakPolarHBondContact O-CB 3.43Å; I267-S271 PolarHBondContact O-N 2.99Å; E268-S271 PolarHBondContact O-N 3.14Å; F269-S271 VanDerWaalsContact C-N 3.34Å; F269-S271 PolarHBondContact O-N 3.33Å; S271-L273 VanDerWaalsContact C-N 3.33Å; S271-L273 PolarHBondContact O-N 2.91Å; S271-N274 WeakPolarHBondContact O-CB 3.49Å; S271-N274 PolarHBondContact O-N 3.3Å; S271-E275 PolarHBondContact O-N 3.06Å; S271-E275 VanDerWaalsContact O-N 3.08Å |
| 272 | I | 87.4 | Confident | 82.2 | Confident | 82 Ų | 82 | 77.1 Ų | 77.1 | 42% | 0.421 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.3 | -41.6 | 177.3 | -66.5 | 166.5 | 0 | 0 | 0 | 110.5 | E268 F269 N274 E275 I276 | E268-I272 HydrophobicContact CG-CD1 4.02Å; E268-I272 WeakPolarHBondContact O-CG1 3.42Å; E268-I272 PolarHBondContact O-N 3.44Å; F269-I272 PolarHBondContact O-N 3.27Å; I272-N274 VanDerWaalsContact C-N 3.33Å; I272-N274 PolarHBondContact O-N 3.21Å; I272-E275 PolarHBondContact O-N 3.48Å; I272-I276 HydrophobicContact CG2-CD1 3.84Å; I272-I276 HydrophobicContact CG2-CG1 4.39Å; I272-I276 VanDerWaalsContact O-CG1 3.32Å; I272-I276 WeakPolarHBondContact O-CG1 3.3Å; I272-I276 PolarHBondContact O-N 2.91Å |
| 273 | L | 86.9 | Confident | 81.7 | Confident | 49 Ų | 49 | 73.8 Ų | 73.8 | 26% | 0.257 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -58.7 | -45 | 175.5 | -179.9 | 61 | 0 | 0 | 0 | 111.4 | F269 F270 S271 E275 I276 V277 | F269-L273 HydrophobicContact CE1-CD2 4.4Å; F269-L273 WeakPolarHBondContact O-CB 3.49Å; F269-L273 PolarHBondContact O-N 3.31Å; F270-L273 HydrophobicContact CD1-CD2 4.2Å; F270-L273 HydrophobicContact CE1-CD2 4.48Å; F270-L273 PolarHBondContact O-N 3.46Å; S271-L273 VanDerWaalsContact C-N 3.33Å; S271-L273 PolarHBondContact O-N 2.91Å; L273-E275 VanDerWaalsContact C-N 3.35Å; L273-E275 PolarHBondContact O-N 3.22Å; L273-I276 PolarHBondContact O-N 2.89Å; L273-V277 HydrophobicContact CD1-CG2 4.2Å; L273-V277 HydrophobicContact CG-CG2 4.43Å; L273-V277 VanDerWaalsContact O-CG2 3.22Å; L273-V277 WeakPolarHBondContact O-CG2 3.42Å; L273-V277 PolarHBondContact O-N 3.46Å |
| 274 | N | 76.7 | Confident | 81.1 | Confident | 41 Ų | 41 | 74.3 Ų | 74.3 | 22% | 0.219 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -58.6 | -46 | 176.5 | -174.7 | 49.3 | 0 | 0 | 0 | 111.3 | L103 S106 F270 S271 I272 I276 V277 M278 | L103-N274 WeakPolarHBondContact CD1-OD1 3.31Å; S106-N274 WeakPolarHBondContact OG-CA 3.5Å; F270-N274 WeakPolarHBondContact O-CB 3.26Å; F270-N274 PolarHBondContact O-N 2.96Å; S271-N274 WeakPolarHBondContact O-CB 3.49Å; S271-N274 PolarHBondContact O-N 3.3Å; I272-N274 VanDerWaalsContact C-N 3.33Å; I272-N274 PolarHBondContact O-N 3.21Å; N274-I276 PolarHBondContact O-N 2.55Å; N274-V277 PolarHBondContact O-N 3.36Å; N274-M278 VanDerWaalsContact O-CG 3.29Å; N274-M278 WeakPolarHBondContact O-CG 3.45Å; N274-M278 PolarHBondContact O-N 3.49Å |
| 275 | E | 76.7 | Confident | 80.4 | Confident | 111 Ų | 111 | 68.1 Ų | 68.1 | 52% | 0.519 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.5 | -42.1 | 176.9 | -71.6 | -174.8 | -160 | 0 | 0 | 113 | S271 I272 L273 M278 K279 | S271-E275 PolarHBondContact O-N 3.06Å; S271-E275 VanDerWaalsContact O-N 3.08Å; I272-E275 PolarHBondContact O-N 3.48Å; L273-E275 VanDerWaalsContact C-N 3.35Å; L273-E275 PolarHBondContact O-N 3.22Å; E275-M278 PolarHBondContact O-N 3.17Å; E275-K279 PolarHBondContact O-N 3.27Å; E275-K279 VanDerWaalsContact O-N 3.1Å |
| 276 | I | 84.8 | Confident | 79.7 | Confident | 88 Ų | 88 | 68.7 Ų | 68.7 | 45% | 0.451 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.6 | -48.1 | 176.4 | -68.7 | 167 | 0 | 0 | 0 | 110 | I272 L273 N274 M278 K279 L280 | I272-I276 HydrophobicContact CG2-CD1 3.84Å; I272-I276 HydrophobicContact CG2-CG1 4.39Å; I272-I276 VanDerWaalsContact O-CG1 3.32Å; I272-I276 WeakPolarHBondContact O-CG1 3.3Å; I272-I276 PolarHBondContact O-N 2.91Å; L273-I276 PolarHBondContact O-N 2.89Å; N274-I276 PolarHBondContact O-N 2.55Å; I276-M278 VanDerWaalsContact C-N 3.32Å; I276-M278 PolarHBondContact O-N 3.14Å; I276-K279 WeakPolarHBondContact O-CB 3.32Å; I276-K279 PolarHBondContact O-N 3.16Å; I276-K279 VanDerWaalsContact O-N 3.14Å; I276-L280 PolarHBondContact O-N 3.38Å; I276-L280 VanDerWaalsContact O-N 3.14Å |
| 277 | V | 75.6 | Confident | 79.3 | Confident | 5 Ų | 5 | 68.1 Ų | 68.1 | 3% | 0.03 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.5 | -41.3 | 179.5 | 175.4 | 0 | 0 | 0 | 0 | 110.7 | L99 P102 L103 L273 N274 K279 L280 V281 | L99-V277 HydrophobicContact CD2-CG1 4.43Å; P102-V277 HydrophobicContact CB-CG2 3.91Å; P102-V277 HydrophobicContact CG-CG2 4.29Å; L103-V277 HydrophobicContact CB-CG1 3.91Å; L103-V277 HydrophobicContact CD1-CG1 4.02Å; L103-V277 HydrophobicContact CD2-CG1 4.49Å; L103-V277 HydrophobicContact CG-CG1 4.38Å; L273-V277 HydrophobicContact CD1-CG2 4.2Å; L273-V277 HydrophobicContact CG-CG2 4.43Å; L273-V277 VanDerWaalsContact O-CG2 3.22Å; L273-V277 WeakPolarHBondContact O-CG2 3.42Å; L273-V277 PolarHBondContact O-N 3.46Å; N274-V277 PolarHBondContact O-N 3.36Å; V277-K279 VanDerWaalsContact C-N 3.31Å; V277-K279 PolarHBondContact O-N 3.27Å; V277-L280 WeakPolarHBondContact O-CA 3.39Å; V277-L280 VanDerWaalsContact O-CB 3.31Å; V277-L280 WeakPolarHBondContact O-CB 3.3Å; V277-L280 PolarHBondContact O-N 3.11Å; V277-V281 WeakPolarHBondContact O-CG2 3.31Å; V277-V281 PolarHBondContact O-N 3.05Å |
| 278 | M | 67.4 | Low | 78.6 | Confident | 42 Ų | 42 | 66.3 Ų | 66.3 | 21% | 0.207 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.1 | -35 | 175.7 | -72.4 | -60.4 | -67.1 | 0 | 0 | 113 | L103 N274 E275 I276 L280 V281 I282 A365 I442 | L103-M278 HydrophobicContact CD1-SD 4.07Å; N274-M278 VanDerWaalsContact O-CG 3.29Å; N274-M278 WeakPolarHBondContact O-CG 3.45Å; N274-M278 PolarHBondContact O-N 3.49Å; E275-M278 PolarHBondContact O-N 3.17Å; I276-M278 VanDerWaalsContact C-N 3.32Å; I276-M278 PolarHBondContact O-N 3.14Å; M278-L280 VanDerWaalsContact C-N 3.35Å; M278-V281 WeakPolarHBondContact O-CB 3.25Å; M278-V281 PolarHBondContact O-N 2.99Å; M278-V281 HydrophobicContact SD-CG2 4.49Å; M278-I282 WeakPolarHBondContact O-CG1 3.26Å; M278-I282 PolarHBondContact O-N 3.47Å; M278-I282 VanDerWaalsContact O-N 3.08Å; M278-A365 HydrophobicContact CE-CB 3.77Å; M278-I442 HydrophobicContact CE-CG2 4.07Å; M278-I442 HydrophobicContact SD-CG2 3.84Å |
| 279 | K | 76.3 | Confident | 78.3 | Confident | 137 Ų | 137 | 61.7 Ų | 61.7 | 60% | 0.596 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -64.8 | -38.3 | 171.4 | -70.2 | 177 | -177.8 | 175.5 | 0 | 112 | E275 I276 V277 I282 M283 | E275-K279 PolarHBondContact O-N 3.27Å; E275-K279 VanDerWaalsContact O-N 3.1Å; I276-K279 WeakPolarHBondContact O-CB 3.32Å; I276-K279 PolarHBondContact O-N 3.16Å; I276-K279 VanDerWaalsContact O-N 3.14Å; V277-K279 VanDerWaalsContact C-N 3.31Å; V277-K279 PolarHBondContact O-N 3.27Å; K279-I282 PolarHBondContact O-N 2.96Å; K279-M283 PolarHBondContact O-N 3.21Å |
| 280 | L | 77.3 | Confident | 78 | Confident | 66 Ų | 66 | 61.9 Ų | 61.9 | 35% | 0.346 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.3 | -42.6 | 172.9 | -59 | 180 | 0 | 0 | 0 | 111.6 | L99 I276 V277 M278 I282 M283 I284 | L99-L280 HydrophobicContact CD1-CB 4.19Å; L99-L280 HydrophobicContact CD2-CB 4.04Å; L99-L280 HydrophobicContact CD2-CD1 3.93Å; I276-L280 PolarHBondContact O-N 3.38Å; I276-L280 VanDerWaalsContact O-N 3.14Å; V277-L280 WeakPolarHBondContact O-CA 3.39Å; V277-L280 VanDerWaalsContact O-CB 3.31Å; V277-L280 WeakPolarHBondContact O-CB 3.3Å; V277-L280 PolarHBondContact O-N 3.11Å; M278-L280 VanDerWaalsContact C-N 3.35Å; L280-I282 VanDerWaalsContact C-N 3.34Å; L280-I282 PolarHBondContact O-N 3.41Å; L280-M283 HydrophobicContact CB-CE 4.44Å; L280-M283 HydrophobicContact CD2-CE 3.33Å; L280-M283 HydrophobicContact CG-CE 4.4Å; L280-M283 PolarHBondContact O-N 2.97Å; L280-I284 PolarHBondContact O-N 3.33Å; L280-I284 VanDerWaalsContact O-N 3.08Å |
| 281 | V | 66.5 | Low | 77.6 | Confident | 6 Ų | 6 | 60.7 Ų | 60.7 | 4% | 0.036 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -56.6 | -48.4 | 175.8 | 175.6 | 0 | 0 | 0 | 0 | 110.4 | L99 L103 V277 M278 M283 I284 M285 I442 | L99-V281 HydrophobicContact CD1-CB 4.27Å; L99-V281 HydrophobicContact CD1-CG2 3.52Å; L103-V281 HydrophobicContact CD2-CG2 4.43Å; V277-V281 WeakPolarHBondContact O-CG2 3.31Å; V277-V281 PolarHBondContact O-N 3.05Å; M278-V281 WeakPolarHBondContact O-CB 3.25Å; M278-V281 PolarHBondContact O-N 2.99Å; M278-V281 HydrophobicContact SD-CG2 4.49Å; V281-M283 VanDerWaalsContact C-N 3.29Å; V281-M283 PolarHBondContact O-N 3Å; V281-I284 PolarHBondContact O-N 3.47Å; V281-I284 VanDerWaalsContact O-N 3.12Å; V281-M285 HydrophobicContact CG1-CG 4.15Å; V281-M285 WeakPolarHBondContact O-CG 3.46Å; V281-M285 PolarHBondContact O-N 2.84Å; V281-I442 HydrophobicContact CG1-CB 4.09Å; V281-I442 HydrophobicContact CG1-CD1 4.27Å; V281-I442 HydrophobicContact CG1-CG2 3.94Å; V281-I442 HydrophobicContact CG2-CD1 4.01Å; V281-I442 HydrophobicContact CG2-CG2 4.2Å |
| 282 | I | 69 | Low | 77.2 | Confident | 97 Ų | 97 | 60.2 Ų | 60.2 | 50% | 0.497 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -58.3 | -41.9 | -179.9 | -67.4 | 166 | 0 | 0 | 0 | 111.2 | M278 K279 L280 M285 W286 | M278-I282 WeakPolarHBondContact O-CG1 3.26Å; M278-I282 PolarHBondContact O-N 3.47Å; M278-I282 VanDerWaalsContact O-N 3.08Å; K279-I282 PolarHBondContact O-N 2.96Å; L280-I282 VanDerWaalsContact C-N 3.34Å; L280-I282 PolarHBondContact O-N 3.41Å; I282-M285 WeakPolarHBondContact O-CB 3.36Å; I282-M285 PolarHBondContact O-N 2.79Å; I282-W286 VanDerWaalsContact O-CD1 3.24Å; I282-W286 PolarHBondContact O-N 2.95Å |
| 283 | M | 78.7 | Confident | 77 | Confident | 118 Ų | 118 | 57.1 Ų | 57.1 | 58% | 0.581 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -62.1 | -43.4 | 176.6 | -68.7 | -171.7 | -70 | 0 | 0 | 112.1 | K279 L280 V281 M285 W286 | K279-M283 PolarHBondContact O-N 3.21Å; L280-M283 HydrophobicContact CB-CE 4.44Å; L280-M283 HydrophobicContact CD2-CE 3.33Å; L280-M283 HydrophobicContact CG-CE 4.4Å; L280-M283 PolarHBondContact O-N 2.97Å; V281-M283 VanDerWaalsContact C-N 3.29Å; V281-M283 PolarHBondContact O-N 3Å; M283-M285 VanDerWaalsContact C-N 3.32Å; M283-M285 PolarHBondContact O-N 3.38Å; M283-W286 PolarHBondContact O-N 3.1Å |
| 284 | I | 75.6 | Confident | 76.8 | Confident | 16 Ų | 16 | 55.8 Ų | 55.8 | 8% | 0.082 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.9 | -36 | 176.2 | -72 | 157.1 | 0 | 0 | 0 | 111.4 | L92 M95 L96 L99 L280 V281 W286 Y287 S288 | L92-I284 HydrophobicContact CD1-CG2 3.88Å; M95-I284 HydrophobicContact CB-CD1 3.87Å; M95-I284 HydrophobicContact CB-CG1 4.04Å; M95-I284 HydrophobicContact CB-CG2 4.18Å; M95-I284 HydrophobicContact CE-CG2 4.3Å; M95-I284 HydrophobicContact SD-CG1 4.09Å; L96-I284 HydrophobicContact CD2-CG2 3.82Å; L96-I284 HydrophobicContact CG-CG2 4.3Å; L99-I284 HydrophobicContact CD1-CD1 3.42Å; L99-I284 VanDerWaalsContact CD1-CD1 3.42Å; L99-I284 HydrophobicContact CG-CD1 4.02Å; L280-I284 PolarHBondContact O-N 3.33Å; L280-I284 VanDerWaalsContact O-N 3.08Å; V281-I284 PolarHBondContact O-N 3.47Å; V281-I284 VanDerWaalsContact O-N 3.12Å; I284-W286 PolarHBondContact O-N 3.12Å; I284-Y287 WeakPolarHBondContact O-CA 3.46Å; I284-Y287 WeakPolarHBondContact O-CB 3.42Å; I284-Y287 PolarHBondContact O-N 3.35Å; I284-S288 PolarHBondContact O-N 2.85Å; I284-S288 VanDerWaalsContact O-N 3.14Å |
| 285 | M | 69.8 | Low | 76.6 | Confident | 31 Ų | 31 | 54.3 Ų | 54.3 | 15% | 0.153 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.6 | -34 | 177.4 | -73.8 | -56.8 | -58.5 | 0 | 0 | 112.1 | L53 V281 I282 M283 Y287 S288 P289 P443 | L53-M285 WeakPolarHBondContact CD1-O 3.4Å; L53-M285 HydrophobicContact CD2-CB 4.14Å; V281-M285 HydrophobicContact CG1-CG 4.15Å; V281-M285 WeakPolarHBondContact O-CG 3.46Å; V281-M285 PolarHBondContact O-N 2.84Å; I282-M285 WeakPolarHBondContact O-CB 3.36Å; I282-M285 PolarHBondContact O-N 2.79Å; M283-M285 VanDerWaalsContact C-N 3.32Å; M283-M285 PolarHBondContact O-N 3.38Å; M285-Y287 VanDerWaalsContact C-N 3.26Å; M285-Y287 PolarHBondContact O-N 3.28Å; M285-S288 VanDerWaalsContact O-CB 3.22Å; M285-S288 WeakPolarHBondContact O-CB 3.47Å; M285-S288 PolarHBondContact O-N 3.05Å; M285-S288 PolarHBondContact O-OG 3.44Å; M285-P289 WeakPolarHBondContact O-CD 3.48Å; M285-P443 HydrophobicContact CE-CB 3.91Å; M285-P443 HydrophobicContact CE-CG 3.64Å; M285-P443 HydrophobicContact SD-CB 3.94Å; M285-P443 HydrophobicContact SD-CG 3.77Å |
| 286 | W | 78.7 | Confident | 76.4 | Confident | 139 Ų | 139 | 49.5 Ų | 49.5 | 53% | 0.527 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -65.9 | -26 | 173.3 | -79.4 | 101.1 | 0 | 0 | 0 | 113.9 | L52 L53 L56 I282 M283 I284 P289 | L52-W286 HydrophobicContact CD2-CH2 3.95Å; L52-W286 HydrophobicContact CD2-CZ3 4Å; L52-W286 HydrophobicContact CG-CH2 4.31Å; L52-W286 HydrophobicContact CG-CZ3 4.25Å; L53-W286 HydrophobicContact CD1-CD2 4.26Å; L53-W286 HydrophobicContact CD1-CE3 4.26Å; L56-W286 HydrophobicContact CD1-CZ3 4.26Å; I282-W286 VanDerWaalsContact O-CD1 3.24Å; I282-W286 PolarHBondContact O-N 2.95Å; M283-W286 PolarHBondContact O-N 3.1Å; I284-W286 PolarHBondContact O-N 3.12Å; W286-P289 WeakPolarHBondContact O-CD 3.31Å |
| 287 | Y | 81.1 | Confident | 76.4 | Confident | 71 Ų | 71 | 45.7 Ų | 45.7 | 28% | 0.278 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -77.9 | -24.2 | 170.9 | -178.9 | -100.4 | 0 | 0 | 0 | 112.6 | P88 I91 L92 M95 I284 M285 P289 F290 G291 | P88-Y287 WeakPolarHBondContact CA-OH 3.28Å; P88-Y287 WeakPolarHBondContact CB-OH 3.47Å; P88-Y287 WeakPolarHBondContact O-CE1 3.4Å; P88-Y287 PolarHBondContact O-OH 3.15Å; I91-Y287 HydrophobicContact CG2-CE1 4.39Å; L92-Y287 HydrophobicContact CB-CD1 4.06Å; L92-Y287 HydrophobicContact CB-CE1 3.86Å; L92-Y287 HydrophobicContact CD1-CD1 4.03Å; M95-Y287 HydrophobicContact CE-CD1 3.27Å; M95-Y287 HydrophobicContact CE-CE1 3.61Å; M95-Y287 HydrophobicContact CE-CG 3.91Å; I284-Y287 WeakPolarHBondContact O-CA 3.46Å; I284-Y287 WeakPolarHBondContact O-CB 3.42Å; I284-Y287 PolarHBondContact O-N 3.35Å; M285-Y287 VanDerWaalsContact C-N 3.26Å; M285-Y287 PolarHBondContact O-N 3.28Å; Y287-P289 VanDerWaalsContact C-CD 3.4Å; Y287-F290 AromaticContact CE2-CD1 3.93Å; Y287-F290 HydrophobicContact CE2-CD1 3.93Å; Y287-F290 PolarHBondContact O-N 3Å; Y287-G291 PolarHBondContact O-N 2.95Å; Y287-G291 VanDerWaalsContact O-N 3.13Å |
| 288 | S | 71.9 | Confident | 76.3 | Confident | 4 Ų | 4 | 45.5 Ų | 45.5 | 3% | 0.028 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -54.8 | -39.3 | -173.5 | 77.1 | 0 | 0 | 0 | 0 | 115.7 | I284 M285 F290 G291 I292 | I284-S288 PolarHBondContact O-N 2.85Å; I284-S288 VanDerWaalsContact O-N 3.14Å; M285-S288 VanDerWaalsContact O-CB 3.22Å; M285-S288 WeakPolarHBondContact O-CB 3.47Å; M285-S288 PolarHBondContact O-N 3.05Å; M285-S288 PolarHBondContact O-OG 3.44Å; S288-F290 VanDerWaalsContact C-N 3.27Å; S288-F290 PolarHBondContact O-N 3.43Å; S288-G291 PolarHBondContact O-N 3.33Å; S288-I292 VanDerWaalsContact O-CB 3.24Å; S288-I292 WeakPolarHBondContact O-CB 3.4Å; S288-I292 WeakPolarHBondContact O-CD1 3.31Å; S288-I292 WeakPolarHBondContact O-CG1 3.16Å; S288-I292 PolarHBondContact O-N 3.01Å |
| 289 | P | 80.7 | Confident | 76.4 | Confident | 14 Ų | 14 | 46.4 Ų | 46.4 | 9% | 0.091 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.1 | -40.3 | 179.9 | -26.3 | 37.5 | 0 | 0 | 0 | 113.1 | L53 L56 M285 W286 Y287 A293 | L53-P289 HydrophobicContact CD1-CG 4.32Å; L56-P289 HydrophobicContact CB-CB 3.84Å; L56-P289 HydrophobicContact CB-CG 3.68Å; M285-P289 WeakPolarHBondContact O-CD 3.48Å; W286-P289 WeakPolarHBondContact O-CD 3.31Å; Y287-P289 VanDerWaalsContact C-CD 3.4Å; P289-A293 WeakPolarHBondContact O-CB 3.33Å; P289-A293 PolarHBondContact O-N 3.5Å |
| 290 | F | 86.8 | Confident | 76.4 | Confident | 119 Ų | 119 | 41 Ų | 41 | 52% | 0.522 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -74.7 | -48.2 | 178.7 | 179 | -113.2 | 0 | 0 | 0 | 111.4 | P88 Y287 S288 I292 A293 C294 | P88-F290 HydrophobicContact CB-CD1 4.13Å; P88-F290 HydrophobicContact CB-CE1 3.62Å; P88-F290 HydrophobicContact CB-CZ 4.29Å; P88-F290 HydrophobicContact CG-CE1 3.92Å; P88-F290 HydrophobicContact CG-CZ 4.2Å; Y287-F290 AromaticContact CE2-CD1 3.93Å; Y287-F290 HydrophobicContact CE2-CD1 3.93Å; Y287-F290 PolarHBondContact O-N 3Å; S288-F290 VanDerWaalsContact C-N 3.27Å; S288-F290 PolarHBondContact O-N 3.43Å; F290-I292 VanDerWaalsContact C-N 3.34Å; F290-I292 PolarHBondContact O-N 3.4Å; F290-A293 PolarHBondContact O-N 2.94Å; F290-C294 PolarHBondContact O-N 3.33Å; F290-C294 VanDerWaalsContact O-N 3.1Å |
| 291 | G | 79.8 | Confident | 76.4 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.3 | -42.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | G89 Y287 S288 C294 L295 | G89-G291 VanDerWaalsContact CA-O 3.27Å; G89-G291 WeakPolarHBondContact CA-O 3.4Å; Y287-G291 PolarHBondContact O-N 2.95Å; Y287-G291 VanDerWaalsContact O-N 3.13Å; S288-G291 PolarHBondContact O-N 3.33Å; G291-C294 PolarHBondContact O-N 3.44Å; G291-L295 VanDerWaalsContact O-CB 3.3Å; G291-L295 WeakPolarHBondContact O-CB 3.38Å; G291-L295 PolarHBondContact O-N 3.34Å |
| 292 | I | 73.4 | Confident | 76.5 | Confident | 28 Ų | 28 | 42.2 Ų | 42.2 | 14% | 0.144 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.7 | -42.8 | 177.5 | -68.5 | 166.1 | 0 | 0 | 0 | 111 | T57 V61 L92 S288 F290 C294 L295 I296 | T57-I292 HydrophobicContact CG2-CD1 3.79Å; V61-I292 HydrophobicContact CG2-CG2 3.67Å; L92-I292 HydrophobicContact CD2-CG1 3.83Å; S288-I292 VanDerWaalsContact O-CB 3.24Å; S288-I292 WeakPolarHBondContact O-CB 3.4Å; S288-I292 WeakPolarHBondContact O-CD1 3.31Å; S288-I292 WeakPolarHBondContact O-CG1 3.16Å; S288-I292 PolarHBondContact O-N 3.01Å; F290-I292 VanDerWaalsContact C-N 3.34Å; F290-I292 PolarHBondContact O-N 3.4Å; I292-C294 PolarHBondContact O-N 2.91Å; I292-L295 PolarHBondContact O-N 3.47Å; I292-I296 HydrophobicContact CG2-CD1 3.57Å; I292-I296 HydrophobicContact CG2-CG1 4.24Å; I292-I296 WeakPolarHBondContact O-CB 3.39Å; I292-I296 WeakPolarHBondContact O-CG1 3.34Å; I292-I296 PolarHBondContact O-N 3.47Å |
| 293 | A | 83.2 | Confident | 76.6 | Confident | 18 Ų | 18 | 38.6 Ų | 38.6 | 15% | 0.149 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.5 | -48.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | G60 G64 P289 F290 C297 | G60-A293 WeakPolarHBondContact O-CA 3.45Å; G60-A293 WeakPolarHBondContact O-CB 3.31Å; G64-A293 VanDerWaalsContact CA-O 3.3Å; G64-A293 WeakPolarHBondContact CA-O 3.38Å; P289-A293 WeakPolarHBondContact O-CB 3.33Å; P289-A293 PolarHBondContact O-N 3.5Å; F290-A293 PolarHBondContact O-N 2.94Å; A293-C297 WeakPolarHBondContact O-CB 3.43Å; A293-C297 PolarHBondContact O-N 2.91Å |
| 294 | C | 82.9 | Confident | 75.9 | Confident | 21 Ų | 21 | 40.6 Ų | 40.6 | 14% | 0.142 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.3 | -43.1 | 176.9 | -76.2 | 0 | 0 | 0 | 0 | 112.7 | I85 P88 F290 G291 I292 C297 G298 | I85-C294 VanDerWaalsContact O-CB 3.26Å; I85-C294 WeakPolarHBondContact O-CB 3.21Å; P88-C294 HydrophobicContact CB-CB 3.93Å; P88-C294 HydrophobicContact CG-CB 4.19Å; F290-C294 PolarHBondContact O-N 3.33Å; F290-C294 VanDerWaalsContact O-N 3.1Å; G291-C294 PolarHBondContact O-N 3.44Å; I292-C294 PolarHBondContact O-N 2.91Å; C294-C297 PolarHBondContact O-N 3.46Å; C294-G298 PolarHBondContact O-N 3.29Å |
| 295 | L | 72 | Confident | 75.5 | Confident | 10 Ų | 10 | 42.8 Ų | 42.8 | 5% | 0.052 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.9 | -49 | 179.2 | -164.1 | 150.5 | 0 | 0 | 0 | 111.4 | M93 G291 I292 K299 V468 | M93-L295 HydrophobicContact CG-CD1 3.75Å; M93-L295 HydrophobicContact SD-CD1 4.14Å; G291-L295 VanDerWaalsContact O-CB 3.3Å; G291-L295 WeakPolarHBondContact O-CB 3.38Å; G291-L295 PolarHBondContact O-N 3.34Å; I292-L295 PolarHBondContact O-N 3.47Å; L295-K299 HydrophobicContact CD2-CG 4.14Å; L295-K299 WeakPolarHBondContact O-CB 3.44Å; L295-K299 VanDerWaalsContact O-CG 3.25Å; L295-K299 WeakPolarHBondContact O-CG 3.2Å; L295-K299 PolarHBondContact O-N 2.97Å; L295-V468 HydrophobicContact CD1-CG1 3.69Å; L295-V468 HydrophobicContact CD2-CB 3.95Å; L295-V468 HydrophobicContact CD2-CG1 3.49Å; L295-V468 VanDerWaalsContact CD2-CG1 3.49Å; L295-V468 HydrophobicContact CG-CG1 4.26Å |
| 296 | I | 74.1 | Confident | 75.5 | Confident | 9 Ų | 9 | 44 Ų | 44 | 5% | 0.046 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.5 | -46.2 | 178.2 | -69.7 | 173.1 | 0 | 0 | 0 | 110.3 | V61 A65 I292 K299 I300 | V61-I296 HydrophobicContact CB-CD1 4.12Å; V61-I296 HydrophobicContact CG1-CD1 3.97Å; V61-I296 HydrophobicContact CG2-CD1 3.86Å; A65-I296 HydrophobicContact CB-CG2 4.21Å; I292-I296 HydrophobicContact CG2-CD1 3.57Å; I292-I296 HydrophobicContact CG2-CG1 4.24Å; I292-I296 WeakPolarHBondContact O-CB 3.39Å; I292-I296 WeakPolarHBondContact O-CG1 3.34Å; I292-I296 PolarHBondContact O-N 3.47Å; I296-K299 PolarHBondContact O-N 3.41Å; I296-I300 HydrophobicContact CG2-CD1 3.64Å; I296-I300 HydrophobicContact CG2-CG1 4.41Å; I296-I300 WeakPolarHBondContact O-CG1 3.43Å; I296-I300 PolarHBondContact O-N 2.84Å |
| 297 | C | 82.8 | Confident | 75.2 | Confident | 9 Ų | 9 | 45.3 Ų | 45.3 | 6% | 0.061 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.6 | -53.7 | 178.5 | -176.1 | 0 | 0 | 0 | 0 | 111.5 | G64 I85 A293 C294 K299 I300 I301 | G64-C297 WeakPolarHBondContact O-CA 3.34Å; I85-C297 HydrophobicContact CG2-CB 4.16Å; A293-C297 WeakPolarHBondContact O-CB 3.43Å; A293-C297 PolarHBondContact O-N 2.91Å; C294-C297 PolarHBondContact O-N 3.46Å; C297-K299 VanDerWaalsContact C-N 3.34Å; C297-K299 PolarHBondContact O-N 3.47Å; C297-I300 PolarHBondContact O-N 3.4Å; C297-I301 WeakPolarHBondContact O-CD1 3.42Å; C297-I301 VanDerWaalsContact O-CG1 3.31Å; C297-I301 WeakPolarHBondContact O-CG1 3.24Å; C297-I301 PolarHBondContact O-N 3.31Å |
| 298 | G | 74.8 | Confident | 74.7 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.8 | -43.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | V82 C294 I301 S302 | V82-G298 WeakPolarHBondContact CG1-O 3.28Å; C294-G298 PolarHBondContact O-N 3.29Å; G298-I301 PolarHBondContact O-N 3.36Å; G298-S302 PolarHBondContact O-N 3.25Å; G298-S302 PolarHBondContact O-OG 3.38Å; G298-S302 VanDerWaalsContact O-OG 3.08Å |
| 299 | K | 69.9 | Low | 74.6 | Confident | 60 Ų | 60 | 43.3 Ų | 43.3 | 26% | 0.261 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -66.8 | -40.9 | 179.5 | -70.1 | -66.8 | 177.9 | -177.7 | 0 | 113.2 | L295 I296 C297 I301 S302 I303 S465 | L295-K299 HydrophobicContact CD2-CG 4.14Å; L295-K299 WeakPolarHBondContact O-CB 3.44Å; L295-K299 VanDerWaalsContact O-CG 3.25Å; L295-K299 WeakPolarHBondContact O-CG 3.2Å; L295-K299 PolarHBondContact O-N 2.97Å; I296-K299 PolarHBondContact O-N 3.41Å; C297-K299 VanDerWaalsContact C-N 3.34Å; C297-K299 PolarHBondContact O-N 3.47Å; K299-I301 PolarHBondContact O-N 3.28Å; K299-S302 PolarHBondContact O-N 2.81Å; K299-I303 WeakPolarHBondContact O-CD1 3.39Å; K299-I303 WeakPolarHBondContact O-CG1 3.31Å; K299-I303 PolarHBondContact O-N 2.91Å; K299-S465 PolarHBondContact NZ-OG 3.04Å; K299-S465 VanDerWaalsContact NZ-OG 3.15Å |
| 300 | I | 75.2 | Confident | 74.4 | Confident | 24 Ų | 24 | 45.1 Ų | 45.1 | 12% | 0.123 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62 | -34.2 | 176.5 | -72.3 | 169.9 | 0 | 0 | 0 | 111.4 | A65 M69 R72 I296 C297 L306 | A65-I300 HydrophobicContact CB-CD1 4.16Å; M69-I300 HydrophobicContact CG-CG2 4.24Å; R72-I300 PolarHBondContact NH1-O 2.86Å; I296-I300 HydrophobicContact CG2-CD1 3.64Å; I296-I300 HydrophobicContact CG2-CG1 4.41Å; I296-I300 WeakPolarHBondContact O-CG1 3.43Å; I296-I300 PolarHBondContact O-N 2.84Å; C297-I300 PolarHBondContact O-N 3.4Å; I300-L306 HydrophobicContact CG2-CD1 4.26Å |
| 301 | I | 77.4 | Confident | 74.1 | Confident | 22 Ų | 22 | 46.5 Ų | 46.5 | 11% | 0.113 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -72.7 | -39.6 | 177.1 | -61.3 | 162 | 0 | 0 | 0 | 111.1 | L71 I77 V82 I85 C297 G298 K299 I303 | L71-I301 HydrophobicContact CB-CD1 3.84Å; L71-I301 HydrophobicContact CB-CG1 4.17Å; L71-I301 HydrophobicContact CD1-CD1 3.83Å; I77-I301 HydrophobicContact CB-CG2 4.2Å; I77-I301 HydrophobicContact CD1-CD1 4.13Å; I77-I301 HydrophobicContact CD1-CG2 4.08Å; V82-I301 HydrophobicContact CG1-CB 4.29Å; V82-I301 HydrophobicContact CG1-CG2 4.27Å; V82-I301 HydrophobicContact CG2-CB 4.47Å; V82-I301 HydrophobicContact CG2-CG2 3.61Å; I85-I301 HydrophobicContact CD1-CD1 4.19Å; C297-I301 WeakPolarHBondContact O-CD1 3.42Å; C297-I301 VanDerWaalsContact O-CG1 3.31Å; C297-I301 WeakPolarHBondContact O-CG1 3.24Å; C297-I301 PolarHBondContact O-N 3.31Å; G298-I301 PolarHBondContact O-N 3.36Å; K299-I301 PolarHBondContact O-N 3.28Å; I301-I303 VanDerWaalsContact C-N 3.33Å; I301-I303 PolarHBondContact O-N 3.42Å |
| 302 | S | 69.8 | Low | 74 | Confident | 76 Ų | 76 | 46.9 Ų | 46.9 | 53% | 0.531 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -69.2 | -22.9 | -177.9 | -58.8 | 0 | 0 | 0 | 0 | 115.2 | V82 G298 K299 | V82-S302 WeakPolarHBondContact CG1-OG 3.31Å; G298-S302 PolarHBondContact O-N 3.25Å; G298-S302 PolarHBondContact O-OG 3.38Å; G298-S302 VanDerWaalsContact O-OG 3.08Å; K299-S302 PolarHBondContact O-N 2.81Å |
| 303 | I | 69.2 | Low | 74.5 | Confident | 21 Ų | 21 | 46.4 Ų | 46.4 | 11% | 0.108 | 24% | 0.239 | C | C | . | . | trans | -74.3 | 126.6 | -176.9 | -72.1 | 159.9 | 0 | 0 | 0 | 110.1 | R72 K299 I301 D305 V309 | R72-I303 PolarHBondContact NH1-O 2.94Å; R72-I303 PolarHBondContact NH2-O 3.12Å; K299-I303 WeakPolarHBondContact O-CD1 3.39Å; K299-I303 WeakPolarHBondContact O-CG1 3.31Å; K299-I303 PolarHBondContact O-N 2.91Å; I301-I303 VanDerWaalsContact C-N 3.33Å; I301-I303 PolarHBondContact O-N 3.42Å; I303-D305 WeakPolarHBondContact CG2-O 3.42Å; I303-V309 HydrophobicContact CD1-CB 4.42Å; I303-V309 HydrophobicContact CD1-CG1 3.77Å; I303-V309 HydrophobicContact CG1-CG1 4.35Å; I303-V309 HydrophobicContact CG2-CB 3.84Å; I303-V309 HydrophobicContact CG2-CG1 4.34Å; I303-V309 HydrophobicContact CG2-CG2 3.53Å | ||
| 304 | K | 64.1 | Low | 74.6 | Confident | 159 Ų | 159 | 46.9 Ų | 46.9 | 69% | 0.691 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -73.9 | -35.5 | 179.8 | -67 | -178.7 | -178.4 | 174.5 | 0 | 114 | R72 | R72-K304 PolarHBondContact NH2-O 3.44Š|
| 305 | D | 68.6 | Low | 75 | Confident | 63 Ų | 63 | 49.9 Ų | 49.9 | 34% | 0.337 | 26% | 0.258 | S | S | . | . | trans | -123.1 | 95.6 | 176.9 | -69.5 | -42.7 | 0 | 0 | 0 | 112.6 | N159 I303 E307 V308 V309 | N159-D305 WeakPolarHBondContact CB-OD2 3.37Å; N159-D305 PolarHBondContact ND2-OD2 3.21Å; I303-D305 WeakPolarHBondContact CG2-O 3.42Å; D305-E307 VanDerWaalsContact C-N 3.34Å; D305-E307 PolarHBondContact O-N 3.23Å; D305-V308 HydrophobicContact CB-CB 3.96Å; D305-V308 HydrophobicContact CB-CG2 4.07Å; D305-V308 PolarHBondContact O-N 3.29Å; D305-V309 WeakPolarHBondContact O-CG2 3.5Å; D305-V309 PolarHBondContact O-N 2.69Å | ||
| 306 | L | 68.3 | Low | 75.9 | Confident | 55 Ų | 55 | 49.4 Ų | 49.4 | 29% | 0.288 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63 | -39.3 | -177 | -173.5 | 65 | 0 | 0 | 0 | 112.5 | M69 I300 V308 A310 | M69-L306 HydrophobicContact CG-CD2 4.29Å; I300-L306 HydrophobicContact CG2-CD1 4.26Å; L306-V308 PolarHBondContact O-N 2.99Å; L306-A310 WeakPolarHBondContact O-CB 3.32Å; L306-A310 PolarHBondContact O-N 3.04Å |
| 307 | E | 73.9 | Confident | 76.8 | Confident | 168 Ų | 168 | 50.8 Ų | 50.8 | 79% | 0.785 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -62.9 | -45.9 | -177.6 | -175.5 | -178.7 | 167.7 | 0 | 0 | 111.8 | D305 R311 | D305-E307 VanDerWaalsContact C-N 3.34Å; D305-E307 PolarHBondContact O-N 3.23Å; E307-R311 WeakPolarHBondContact O-CB 3.46Å; E307-R311 PolarHBondContact O-N 2.83Å |
| 308 | V | 69.4 | Low | 77.3 | Confident | 25 Ų | 25 | 53.6 Ų | 53.6 | 15% | 0.152 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.1 | -50.3 | 179.7 | 161.9 | 0 | 0 | 0 | 0 | 111.4 | L156 D305 L306 R311 Q312 | L156-V308 HydrophobicContact CB-CG1 3.55Å; L156-V308 HydrophobicContact CD1-CG1 4.36Å; L156-V308 HydrophobicContact CD2-CB 3.81Å; L156-V308 HydrophobicContact CD2-CG1 3.18Å; L156-V308 HydrophobicContact CD2-CG2 3.34Å; L156-V308 HydrophobicContact CG-CG1 3.81Å; D305-V308 HydrophobicContact CB-CB 3.96Å; D305-V308 HydrophobicContact CB-CG2 4.07Å; D305-V308 PolarHBondContact O-N 3.29Å; L306-V308 PolarHBondContact O-N 2.99Å; V308-R311 PolarHBondContact O-N 3.44Å; V308-Q312 PolarHBondContact O-N 3.19Å |
| 309 | V | 71.4 | Confident | 78.3 | Confident | 7 Ų | 7 | 53.6 Ų | 53.6 | 4% | 0.042 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -69.7 | -39.2 | -178.2 | 176.7 | 0 | 0 | 0 | 0 | 110.7 | L160 I303 D305 R311 Q312 L313 | L160-V309 HydrophobicContact CD1-CG2 4.18Å; L160-V309 HydrophobicContact CD2-CG2 3.96Å; L160-V309 HydrophobicContact CG-CG2 4.27Å; I303-V309 HydrophobicContact CD1-CB 4.42Å; I303-V309 HydrophobicContact CD1-CG1 3.77Å; I303-V309 HydrophobicContact CG1-CG1 4.35Å; I303-V309 HydrophobicContact CG2-CB 3.84Å; I303-V309 HydrophobicContact CG2-CG1 4.34Å; I303-V309 HydrophobicContact CG2-CG2 3.53Å; D305-V309 WeakPolarHBondContact O-CG2 3.5Å; D305-V309 PolarHBondContact O-N 2.69Å; V309-R311 VanDerWaalsContact C-N 3.33Å; V309-R311 PolarHBondContact O-N 2.79Å; V309-Q312 PolarHBondContact O-N 3.37Å; V309-L313 HydrophobicContact CG1-CD1 3.65Å; V309-L313 HydrophobicContact CG1-CG 4.08Å; V309-L313 VanDerWaalsContact O-CB 3.28Å; V309-L313 WeakPolarHBondContact O-CB 3.26Å; V309-L313 WeakPolarHBondContact O-CG 3.45Å; V309-L313 PolarHBondContact O-N 3.48Å |
| 310 | A | 74.8 | Confident | 79.6 | Confident | 53 Ų | 53 | 50.7 Ų | 50.7 | 44% | 0.438 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63 | -39.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L306 G314 | L306-A310 WeakPolarHBondContact O-CB 3.32Å; L306-A310 PolarHBondContact O-N 3.04Å; A310-G314 WeakPolarHBondContact O-CA 3.49Å; A310-G314 PolarHBondContact O-N 2.85Å |
| 311 | R | 81 | Confident | 80.5 | Confident | 147 Ų | 147 | 51.4 Ų | 51.4 | 56% | 0.555 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -64.8 | -46.3 | 175.5 | -171.3 | 177.8 | 70.7 | 178 | -0.3 | 111.7 | E307 V308 V309 G314 M315 | E307-R311 WeakPolarHBondContact O-CB 3.46Å; E307-R311 PolarHBondContact O-N 2.83Å; V308-R311 PolarHBondContact O-N 3.44Å; V309-R311 VanDerWaalsContact C-N 3.33Å; V309-R311 PolarHBondContact O-N 2.79Å; R311-G314 PolarHBondContact O-N 3.49Å; R311-M315 WeakPolarHBondContact O-CG 3.46Å; R311-M315 PolarHBondContact O-N 3.48Å |
| 312 | Q | 78.6 | Confident | 81.5 | Confident | 9 Ų | 9 | 53.5 Ų | 53.5 | 4% | 0.042 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.1 | -48.9 | 179 | -74.6 | -172.3 | -10.8 | 0 | 0 | 112.2 | N153 V308 V309 G314 M315 Y316 F411 | N153-Q312 PolarHBondContact O-NE2 2.98Å; V308-Q312 PolarHBondContact O-N 3.19Å; V309-Q312 PolarHBondContact O-N 3.37Å; Q312-G314 VanDerWaalsContact C-N 3.29Å; Q312-G314 PolarHBondContact O-N 3.24Å; Q312-M315 PolarHBondContact O-N 3.13Å; Q312-Y316 WeakPolarHBondContact O-CB 3.33Å; Q312-Y316 PolarHBondContact O-N 2.81Å; Q312-F411 HydrophobicContact CB-CE2 4.37Å; Q312-F411 HydrophobicContact CB-CZ 4.38Å |
| 313 | L | 82.4 | Confident | 82.8 | Confident | 18 Ų | 18 | 49.9 Ų | 49.9 | 9% | 0.094 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.3 | -36.8 | 176.6 | -71.4 | 177.7 | 0 | 0 | 0 | 111.5 | V309 Y316 M317 F411 L467 V470 | V309-L313 HydrophobicContact CG1-CD1 3.65Å; V309-L313 HydrophobicContact CG1-CG 4.08Å; V309-L313 VanDerWaalsContact O-CB 3.28Å; V309-L313 WeakPolarHBondContact O-CB 3.26Å; V309-L313 WeakPolarHBondContact O-CG 3.45Å; V309-L313 PolarHBondContact O-N 3.48Å; L313-Y316 WeakPolarHBondContact O-CB 3.21Å; L313-Y316 PolarHBondContact O-N 3.06Å; L313-M317 WeakPolarHBondContact O-CB 3.41Å; L313-M317 WeakPolarHBondContact O-CG 3.42Å; L313-M317 PolarHBondContact O-N 3.15Å; L313-F411 HydrophobicContact CD2-CE1 4.35Å; L313-F411 HydrophobicContact CD2-CZ 4.4Å; L313-L467 HydrophobicContact CD2-CD2 4.5Å; L313-V470 HydrophobicContact CB-CG1 4.29Å; L313-V470 HydrophobicContact CD1-CG1 4.37Å |
| 314 | G | 87.3 | Confident | 84.1 | Confident | 27 Ų | 27 | 49 Ų | 49 | 28% | 0.278 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.8 | -47.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A310 R311 Q312 Y316 M317 V318 | A310-G314 WeakPolarHBondContact O-CA 3.49Å; A310-G314 PolarHBondContact O-N 2.85Å; R311-G314 PolarHBondContact O-N 3.49Å; Q312-G314 VanDerWaalsContact C-N 3.29Å; Q312-G314 PolarHBondContact O-N 3.24Å; G314-Y316 VanDerWaalsContact C-N 3.33Å; G314-Y316 PolarHBondContact O-N 2.83Å; G314-M317 PolarHBondContact O-N 3.43Å; G314-V318 VanDerWaalsContact O-CG2 3.32Å; G314-V318 WeakPolarHBondContact O-CG2 3.38Å; G314-V318 PolarHBondContact O-N 3.32Å |
| 315 | M | 89.3 | Confident | 85.7 | Confident | 84 Ų | 84 | 46.1 Ų | 46.1 | 41% | 0.414 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.1 | -38.4 | 176.1 | -73 | -58.4 | -61.8 | 0 | 0 | 112.4 | I149 P151 R311 Q312 V318 T319 | I149-M315 HydrophobicContact CG2-CE 3.79Å; P151-M315 HydrophobicContact CB-CB 3.91Å; R311-M315 WeakPolarHBondContact O-CG 3.46Å; R311-M315 PolarHBondContact O-N 3.48Å; Q312-M315 PolarHBondContact O-N 3.13Å; M315-V318 PolarHBondContact O-N 3.09Å; M315-T319 WeakPolarHBondContact O-CB 3.35Å; M315-T319 PolarHBondContact O-N 3.49Å; M315-T319 PolarHBondContact O-OG1 2.79Å |
| 316 | Y | 91.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.6 | -49.6 | 171.6 | 163.7 | -103.8 | 0 | 0 | 0 | 111.6 | Q312 L313 G314 V318 T319 V320 Y404 V407 A408 F411 L467 V470 L474 | Q312-Y316 WeakPolarHBondContact O-CB 3.33Å; Q312-Y316 PolarHBondContact O-N 2.81Å; L313-Y316 WeakPolarHBondContact O-CB 3.21Å; L313-Y316 PolarHBondContact O-N 3.06Å; G314-Y316 VanDerWaalsContact C-N 3.33Å; G314-Y316 PolarHBondContact O-N 2.83Å; Y316-V318 VanDerWaalsContact C-N 3.34Å; Y316-V318 PolarHBondContact O-N 3.09Å; Y316-T319 WeakPolarHBondContact O-CB 3.24Å; Y316-T319 PolarHBondContact O-N 2.93Å; Y316-T319 VanDerWaalsContact O-N 3.17Å; Y316-V320 HydrophobicContact CD2-CG2 4.2Å; Y316-V320 HydrophobicContact CE1-CG2 4.43Å; Y316-V320 HydrophobicContact CE2-CG2 3.68Å; Y316-V320 WeakPolarHBondContact O-CG2 3.46Å; Y316-V320 PolarHBondContact O-N 2.89Å; Y316-Y404 WeakPolarHBondContact OH-CD2 2.88Å; Y316-Y404 WeakPolarHBondContact OH-CE2 3.33Å; Y316-V407 HydrophobicContact CD2-CG1 3.99Å; Y316-V407 HydrophobicContact CE2-CG1 3.86Å; Y316-A408 HydrophobicContact CE2-CB 4.06Å; Y316-F411 HydrophobicContact CD2-CB 3.92Å; Y316-F411 AromaticContact CD2-CD1 3.83Å; Y316-F411 HydrophobicContact CD2-CD1 3.83Å; Y316-F411 HydrophobicContact CD2-CD2 4.29Å; Y316-F411 HydrophobicContact CD2-CE1 4.45Å; Y316-F411 AromaticContact CD2-CG 3.73Å; Y316-F411 HydrophobicContact CD2-CG 3.73Å; Y316-F411 HydrophobicContact CE2-CB 4.38Å; Y316-F411 HydrophobicContact CE2-CD1 4.33Å; Y316-F411 HydrophobicContact CE2-CG 4.46Å; Y316-F411 HydrophobicContact CG-CD1 4.11Å; Y316-F411 HydrophobicContact CG-CD2 4.49Å; Y316-F411 HydrophobicContact CG-CE1 4.27Å; Y316-F411 HydrophobicContact CG-CG 4.22Å; Y316-L467 HydrophobicContact CD1-CD2 4.13Å; Y316-L467 HydrophobicContact CE1-CD2 3.64Å; Y316-L467 HydrophobicContact CE2-CD2 4.37Å; Y316-V470 HydrophobicContact CD1-CG2 4.22Å; Y316-V470 HydrophobicContact CE1-CG2 3.96Å; Y316-L474 HydrophobicContact CD1-CD1 4.28Å; Y316-L474 HydrophobicContact CE1-CD1 3.5Å; Y316-L474 VanDerWaalsContact CE1-CD1 3.5Å |
| 317 | M | 92.1 | Very high | 88.5 | Confident | 38 Ų | 38 | 42.6 Ų | 42.6 | 19% | 0.187 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.3 | -45 | 177.8 | -73.1 | 171.6 | 71.9 | 0 | 0 | 111.8 | L313 G314 T319 V320 I321 V470 L473 L474 | L313-M317 WeakPolarHBondContact O-CB 3.41Å; L313-M317 WeakPolarHBondContact O-CG 3.42Å; L313-M317 PolarHBondContact O-N 3.15Å; G314-M317 PolarHBondContact O-N 3.43Å; M317-T319 VanDerWaalsContact C-N 3.32Å; M317-T319 PolarHBondContact O-N 3.38Å; M317-V320 PolarHBondContact O-N 3.47Å; M317-I321 WeakPolarHBondContact O-CB 3.3Å; M317-I321 VanDerWaalsContact O-CG1 3.25Å; M317-I321 WeakPolarHBondContact O-CG1 3.18Å; M317-I321 PolarHBondContact O-N 3.5Å; M317-V470 HydrophobicContact CE-CB 4.45Å; M317-V470 HydrophobicContact CG-CB 3.91Å; M317-V470 HydrophobicContact CG-CG1 4.14Å; M317-V470 HydrophobicContact CG-CG2 4.2Å; M317-V470 HydrophobicContact SD-CB 3.71Å; M317-V470 HydrophobicContact SD-CG1 3.49Å; M317-V470 WeakPolarHBondContact SD-CG1 3.3Å; M317-L473 HydrophobicContact CE-CB 4.45Å; M317-L473 HydrophobicContact CE-CD2 3.51Å; M317-L473 HydrophobicContact CE-CG 4.48Å; M317-L474 HydrophobicContact CB-CD2 4.26Å; M317-L474 HydrophobicContact CG-CD1 4.2Å; M317-L474 HydrophobicContact CG-CD2 4.26Å; M317-L474 HydrophobicContact CG-CG 4.4Å |
| 318 | V | 93.9 | Very high | 89.5 | Confident | 69 Ų | 69 | 35.3 Ų | 35.3 | 42% | 0.418 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -60.3 | -44.2 | 176.8 | 168.9 | 0 | 0 | 0 | 0 | 110.6 | G314 M315 Y316 V320 I321 I322 | G314-V318 VanDerWaalsContact O-CG2 3.32Å; G314-V318 WeakPolarHBondContact O-CG2 3.38Å; G314-V318 PolarHBondContact O-N 3.32Å; M315-V318 PolarHBondContact O-N 3.09Å; Y316-V318 VanDerWaalsContact C-N 3.34Å; Y316-V318 PolarHBondContact O-N 3.09Å; V318-V320 PolarHBondContact O-N 2.63Å; V318-I321 PolarHBondContact O-N 3.24Å; V318-I322 HydrophobicContact CG1-CD1 3.51Å; V318-I322 HydrophobicContact CG1-CG1 4.22Å; V318-I322 VanDerWaalsContact O-CB 3.31Å; V318-I322 WeakPolarHBondContact O-CB 3.36Å; V318-I322 VanDerWaalsContact O-CG1 3.22Å; V318-I322 WeakPolarHBondContact O-CG1 3.26Å; V318-I322 PolarHBondContact O-N 3.33Å |
| 319 | T | 95.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.4 | -49 | 177.2 | -58.2 | 0 | 0 | 0 | 0 | 111.5 | L145 V146 I149 M315 Y316 M317 G323 V407 | L145-T319 HydrophobicContact CB-CG2 4.3Å; V146-T319 HydrophobicContact CB-CG2 4.35Å; I149-T319 HydrophobicContact CD1-CG2 4.09Å; I149-T319 WeakPolarHBondContact CG2-OG1 3.43Å; M315-T319 WeakPolarHBondContact O-CB 3.35Å; M315-T319 PolarHBondContact O-N 3.49Å; M315-T319 PolarHBondContact O-OG1 2.79Å; Y316-T319 WeakPolarHBondContact O-CB 3.24Å; Y316-T319 PolarHBondContact O-N 2.93Å; Y316-T319 VanDerWaalsContact O-N 3.17Å; M317-T319 VanDerWaalsContact C-N 3.32Å; M317-T319 PolarHBondContact O-N 3.38Å; T319-G323 PolarHBondContact O-N 3.24Å; T319-V407 HydrophobicContact CG2-CG1 3.8Å; T319-V407 HydrophobicContact CG2-CG2 4.47Å |
| 320 | V | 96.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.5 | -48.7 | 178.2 | 174.3 | 0 | 0 | 0 | 0 | 111.1 | Y316 M317 V318 I322 G323 L324 Y404 V407 L474 | Y316-V320 HydrophobicContact CD2-CG2 4.2Å; Y316-V320 HydrophobicContact CE1-CG2 4.43Å; Y316-V320 HydrophobicContact CE2-CG2 3.68Å; Y316-V320 WeakPolarHBondContact O-CG2 3.46Å; Y316-V320 PolarHBondContact O-N 2.89Å; M317-V320 PolarHBondContact O-N 3.47Å; V318-V320 PolarHBondContact O-N 2.63Å; V320-I322 PolarHBondContact O-N 2.87Å; V320-G323 PolarHBondContact O-N 2.83Å; V320-L324 HydrophobicContact CG1-CD1 3.81Å; V320-L324 HydrophobicContact CG1-CG 4.2Å; V320-L324 VanDerWaalsContact O-CG 3.31Å; V320-L324 WeakPolarHBondContact O-CG 3.44Å; V320-L324 PolarHBondContact O-N 3.44Å; V320-Y404 HydrophobicContact CG1-CD2 4.17Å; V320-Y404 HydrophobicContact CG2-CD2 4.38Å; V320-V407 HydrophobicContact CG2-CB 4.09Å; V320-V407 HydrophobicContact CG2-CG1 3.65Å; V320-L474 HydrophobicContact CB-CD1 4.42Å; V320-L474 HydrophobicContact CB-CD2 4.15Å; V320-L474 HydrophobicContact CG1-CD1 4.39Å; V320-L474 HydrophobicContact CG1-CD2 4.02Å; V320-L474 HydrophobicContact CG2-CD1 4.42Å |
| 321 | I | 95.8 | Very high | 92.9 | Very high | 38 Ų | 38 | 42.1 Ų | 42.1 | 20% | 0.195 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.5 | -43.9 | -177.9 | -70.3 | 168.3 | 0 | 0 | 0 | 110.7 | M317 V318 G323 L324 I325 L474 F477 | M317-I321 WeakPolarHBondContact O-CB 3.3Å; M317-I321 VanDerWaalsContact O-CG1 3.25Å; M317-I321 WeakPolarHBondContact O-CG1 3.18Å; M317-I321 PolarHBondContact O-N 3.5Å; V318-I321 PolarHBondContact O-N 3.24Å; I321-G323 VanDerWaalsContact C-N 3.33Å; I321-G323 PolarHBondContact O-N 3.25Å; I321-L324 PolarHBondContact O-N 3.4Å; I321-I325 HydrophobicContact CG2-CD1 3.71Å; I321-I325 HydrophobicContact CG2-CG1 4.39Å; I321-I325 WeakPolarHBondContact O-CB 2.92Å; I321-I325 VanDerWaalsContact O-CG1 3.25Å; I321-I325 WeakPolarHBondContact O-CG1 3.05Å; I321-I325 PolarHBondContact O-N 2.67Å; I321-L474 HydrophobicContact CD1-CD2 4.08Å; I321-L474 HydrophobicContact CG1-CD2 3.77Å; I321-F477 HydrophobicContact CD1-CE2 4.32Å; I321-F477 HydrophobicContact CG1-CD2 4.32Å |
| 322 | I | 97.1 | Very high | 93.7 | Very high | 66 Ų | 66 | 35.1 Ų | 35.1 | 34% | 0.338 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -60.2 | -45.7 | 175.2 | -72.2 | 172.5 | 0 | 0 | 0 | 110.2 | V318 V320 L324 I325 I326 | V318-I322 HydrophobicContact CG1-CD1 3.51Å; V318-I322 HydrophobicContact CG1-CG1 4.22Å; V318-I322 VanDerWaalsContact O-CB 3.31Å; V318-I322 WeakPolarHBondContact O-CB 3.36Å; V318-I322 VanDerWaalsContact O-CG1 3.22Å; V318-I322 WeakPolarHBondContact O-CG1 3.26Å; V318-I322 PolarHBondContact O-N 3.33Å; V320-I322 PolarHBondContact O-N 2.87Å; I322-L324 PolarHBondContact O-N 3.48Å; I322-I325 PolarHBondContact O-N 3.47Å; I322-I326 HydrophobicContact CG2-CD1 3.58Å; I322-I326 HydrophobicContact CG2-CG1 4.26Å; I322-I326 WeakPolarHBondContact O-CB 3.35Å; I322-I326 VanDerWaalsContact O-CG1 3.27Å; I322-I326 WeakPolarHBondContact O-CG1 3.3Å; I322-I326 PolarHBondContact O-N 3.08Å |
| 323 | G | 97.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.4 | -45.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | T319 V320 I321 I325 I326 H327 L403 | T319-G323 PolarHBondContact O-N 3.24Å; V320-G323 PolarHBondContact O-N 2.83Å; I321-G323 VanDerWaalsContact C-N 3.33Å; I321-G323 PolarHBondContact O-N 3.25Å; G323-I325 PolarHBondContact O-N 3.07Å; G323-I326 PolarHBondContact O-N 3.38Å; G323-H327 WeakPolarHBondContact O-CB 3.49Å; G323-H327 PolarHBondContact O-N 3.24Å; G323-L403 VanDerWaalsContact C-CD1 3.48Å; G323-L403 WeakPolarHBondContact O-CD1 3.49Å |
| 324 | L | 97.1 | Very high | 95.2 | Very high | 4 Ų | 4 | 37.2 Ų | 37.2 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.2 | -40.1 | 176.4 | -69.7 | 175.7 | 0 | 0 | 0 | 112.2 | V320 I321 I322 G328 G400 L403 F477 R478 V481 | V320-L324 HydrophobicContact CG1-CD1 3.81Å; V320-L324 HydrophobicContact CG1-CG 4.2Å; V320-L324 VanDerWaalsContact O-CG 3.31Å; V320-L324 WeakPolarHBondContact O-CG 3.44Å; V320-L324 PolarHBondContact O-N 3.44Å; I321-L324 PolarHBondContact O-N 3.4Å; I322-L324 PolarHBondContact O-N 3.48Å; L324-G328 PolarHBondContact O-N 3.37Å; L324-G400 VanDerWaalsContact CD2-CA 3.41Å; L324-L403 HydrophobicContact CD2-CD2 4.34Å; L324-L403 HydrophobicContact CG-CD2 4.34Å; L324-F477 HydrophobicContact CD1-CB 3.61Å; L324-R478 HydrophobicContact CD1-CG 4.03Å; L324-V481 HydrophobicContact CB-CG2 4.1Å; L324-V481 HydrophobicContact CD2-CB 4.41Å; L324-V481 HydrophobicContact CD2-CG2 4.3Å |
| 325 | I | 96.7 | Very high | 95.7 | Very high | 98 Ų | 98 | 37.6 Ų | 37.6 | 50% | 0.503 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -65.8 | -46.5 | 175.6 | -70.5 | 168.6 | 0 | 0 | 0 | 110.4 | I321 I322 G323 H327 G328 A329 | I321-I325 HydrophobicContact CG2-CD1 3.71Å; I321-I325 HydrophobicContact CG2-CG1 4.39Å; I321-I325 WeakPolarHBondContact O-CB 2.92Å; I321-I325 VanDerWaalsContact O-CG1 3.25Å; I321-I325 WeakPolarHBondContact O-CG1 3.05Å; I321-I325 PolarHBondContact O-N 2.67Å; I322-I325 PolarHBondContact O-N 3.47Å; G323-I325 PolarHBondContact O-N 3.07Å; I325-H327 PolarHBondContact O-N 2.78Å; I325-G328 PolarHBondContact O-N 2.93Å; I325-A329 HydrophobicContact CG2-CB 4.49Å; I325-A329 WeakPolarHBondContact O-CA 3.18Å; I325-A329 WeakPolarHBondContact O-CB 3.41Å; I325-A329 PolarHBondContact O-N 3Å |
| 326 | I | 97.7 | Very high | 96 | Very high | 43 Ų | 43 | 34.3 Ų | 34.3 | 22% | 0.221 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.1 | -46.7 | 178.1 | -70.4 | 170.4 | 0 | 0 | 0 | 110 | L141 L145 I322 G323 I330 F331 | L141-I326 HydrophobicContact CD1-CG2 4.09Å; L141-I326 HydrophobicContact CD2-CB 4.21Å; L141-I326 HydrophobicContact CD2-CG2 3.78Å; L145-I326 HydrophobicContact CD1-CD1 4.41Å; L145-I326 HydrophobicContact CD2-CD1 4.32Å; I322-I326 HydrophobicContact CG2-CD1 3.58Å; I322-I326 HydrophobicContact CG2-CG1 4.26Å; I322-I326 WeakPolarHBondContact O-CB 3.35Å; I322-I326 VanDerWaalsContact O-CG1 3.27Å; I322-I326 WeakPolarHBondContact O-CG1 3.3Å; I322-I326 PolarHBondContact O-N 3.08Å; G323-I326 PolarHBondContact O-N 3.38Å; I326-I330 HydrophobicContact CG1-CD1 4.45Å; I326-I330 HydrophobicContact CG2-CD1 4.28Å; I326-I330 WeakPolarHBondContact O-CA 3.28Å; I326-I330 WeakPolarHBondContact O-CB 3.43Å; I326-I330 PolarHBondContact O-N 3.3Å; I326-F331 HydrophobicContact CG2-CD2 3.89Å; I326-F331 HydrophobicContact CG2-CE2 3.7Å; I326-F331 PolarHBondContact O-N 2.95Å |
| 327 | H | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | I | π-helix | trans | -62.1 | -51.9 | 178 | -169.5 | 65.6 | 0 | 0 | 0 | 111.9 | L141 G323 I325 F331 L332 D399 L403 | L141-H327 HydrophobicContact CD2-CB 3.93Å; G323-H327 WeakPolarHBondContact O-CB 3.49Å; G323-H327 PolarHBondContact O-N 3.24Å; I325-H327 PolarHBondContact O-N 2.78Å; H327-F331 PolarHBondContact O-N 2.8Å; H327-L332 PolarHBondContact O-N 3.18Å; H327-D399 IonicContact CD2-OD2 3.99Å; H327-D399 IonicContact CE1-OD2 2.67Å; H327-D399 WeakPolarHBondContact NE2-CB 3.13Å; H327-D399 VanDerWaalsContact NE2-CG 3.29Å; H327-D399 IonicContact NE2-OD2 3.04Å; H327-D399 PolarHBondContact NE2-OD2 3.49Å; H327-L403 HydrophobicContact CB-CD1 4.27Å |
| 328 | G | 95.5 | Very high | 96.5 | Very high | 16 Ų | 16 | 41.9 Ų | 41.9 | 17% | 0.165 | 23% | 0.234 | C | C | . | . | I | π-helix | trans | -70.6 | -35.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115 | L324 I325 P333 | L324-G328 PolarHBondContact O-N 3.37Å; I325-G328 PolarHBondContact O-N 2.93Å; G328-P333 VanDerWaalsContact O-CD 3.24Å; G328-P333 WeakPolarHBondContact O-CD 3.31Å; G328-P333 WeakPolarHBondContact O-CG 3.34Å |
| 329 | A | 95.1 | Very high | 96.6 | Very high | 59 Ų | 59 | 41.7 Ų | 41.7 | 49% | 0.488 | 23% | 0.23 | S | C | . | . | I | π-helix | trans | -99.9 | -20.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | I325 P333 | I325-A329 HydrophobicContact CG2-CB 4.49Å; I325-A329 WeakPolarHBondContact O-CA 3.18Å; I325-A329 WeakPolarHBondContact O-CB 3.41Å; I325-A329 PolarHBondContact O-N 3Å; A329-P333 WeakPolarHBondContact O-CG 3.06Å |
| 330 | I | 96.1 | Very high | 96.6 | Very high | 94 Ų | 94 | 41.9 Ų | 41.9 | 48% | 0.482 | 23% | 0.231 | S | C | . | . | I | π-helix | trans | -115 | -61.7 | -178.5 | -56.2 | 168.9 | 0 | 0 | 0 | 110.6 | I326 S334 | I326-I330 HydrophobicContact CG1-CD1 4.45Å; I326-I330 HydrophobicContact CG2-CD1 4.28Å; I326-I330 WeakPolarHBondContact O-CA 3.28Å; I326-I330 WeakPolarHBondContact O-CB 3.43Å; I326-I330 PolarHBondContact O-N 3.3Å; I330-S334 WeakPolarHBondContact O-CB 3.29Å; I330-S334 PolarHBondContact O-N 3.49Å; I330-S334 PolarHBondContact O-OG 3.15Å |
| 331 | F | 96.9 | Very high | 96.5 | Very high | 75 Ų | 75 | 51.4 Ų | 51.4 | 33% | 0.329 | 27% | 0.267 | S | S | . | . | I | π-helix | trans | -65.9 | -53.6 | -172.4 | -78.1 | -86.1 | 0 | 0 | 0 | 113 | I137 L141 I326 H327 S334 I335 | I137-F331 HydrophobicContact CG2-CD1 3.6Å; I137-F331 HydrophobicContact CG2-CE1 3.91Å; I137-F331 HydrophobicContact CG2-CG 4.07Å; L141-F331 HydrophobicContact CD1-CE2 4.03Å; L141-F331 HydrophobicContact CD2-CD2 3.99Å; L141-F331 HydrophobicContact CD2-CE2 3.89Å; L141-F331 HydrophobicContact CG-CE2 4.47Å; I326-F331 HydrophobicContact CG2-CD2 3.89Å; I326-F331 HydrophobicContact CG2-CE2 3.7Å; I326-F331 PolarHBondContact O-N 2.95Å; H327-F331 PolarHBondContact O-N 2.8Å; F331-S334 PolarHBondContact O-N 3.07Å; F331-I335 WeakPolarHBondContact O-CG1 3.42Å; F331-I335 PolarHBondContact O-N 3.44Å |
| 332 | L | 96.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.8 | -48.1 | -178.6 | -63.9 | 174.8 | 0 | 0 | 0 | 112.5 | T134 H327 S334 I335 Y336 D399 V481 V484 Y488 | T134-L332 HydrophobicContact CG2-CD2 3.85Å; H327-L332 PolarHBondContact O-N 3.18Å; L332-S334 VanDerWaalsContact C-N 3.32Å; L332-S334 PolarHBondContact O-N 2.98Å; L332-I335 PolarHBondContact O-N 2.89Å; L332-Y336 PolarHBondContact O-N 2.94Å; L332-D399 WeakPolarHBondContact CD2-OD2 3.21Å; L332-V481 HydrophobicContact CD1-CG1 4.34Å; L332-V484 HydrophobicContact CD1-CG1 4.33Å; L332-Y488 HydrophobicContact CB-CD2 3.89Å; L332-Y488 HydrophobicContact CB-CE2 4.24Å |
| 333 | P | 96.6 | Very high | 96.3 | Very high | 12 Ų | 12 | 55.9 Ų | 55.9 | 8% | 0.078 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.7 | -37.5 | 174.2 | -29.7 | 41.1 | 0 | 0 | 0 | 113.6 | G328 A329 Y336 F337 P344 Y488 | G328-P333 VanDerWaalsContact O-CD 3.24Å; G328-P333 WeakPolarHBondContact O-CD 3.31Å; G328-P333 WeakPolarHBondContact O-CG 3.34Å; A329-P333 WeakPolarHBondContact O-CG 3.06Å; P333-Y336 PolarHBondContact O-N 3.25Å; P333-F337 WeakPolarHBondContact O-CB 3.41Å; P333-F337 PolarHBondContact O-N 3.42Å; P333-P344 HydrophobicContact CB-CB 3.73Å; P333-P344 HydrophobicContact CB-CG 3.91Å; P333-Y488 HydrophobicContact CG-CE2 4.16Å |
| 334 | S | 96.7 | Very high | 96.2 | Very high | 59 Ų | 59 | 56.4 Ų | 56.4 | 41% | 0.413 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66.8 | -44.2 | 179 | -63.1 | 0 | 0 | 0 | 0 | 111.6 | I330 F331 L332 Y336 F337 V338 | I330-S334 WeakPolarHBondContact O-CB 3.29Å; I330-S334 PolarHBondContact O-N 3.49Å; I330-S334 PolarHBondContact O-OG 3.15Å; F331-S334 PolarHBondContact O-N 3.07Å; L332-S334 VanDerWaalsContact C-N 3.32Å; L332-S334 PolarHBondContact O-N 2.98Å; S334-Y336 VanDerWaalsContact C-N 3.33Å; S334-Y336 PolarHBondContact O-N 2.78Å; S334-F337 PolarHBondContact O-N 3.17Å; S334-V338 WeakPolarHBondContact O-CB 3.24Å; S334-V338 VanDerWaalsContact O-CG2 3.28Å; S334-V338 WeakPolarHBondContact O-CG2 3.36Å; S334-V338 PolarHBondContact O-N 3.04Å |
| 335 | I | 96.4 | Very high | 96 | Very high | 34 Ų | 34 | 63.1 Ų | 63.1 | 17% | 0.174 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.5 | -45.8 | 175.5 | -66.7 | 167.1 | 0 | 0 | 0 | 109.8 | Y130 T134 I137 F331 L332 F337 V338 I339 I492 | Y130-I335 HydrophobicContact CD2-CG2 4.37Å; Y130-I335 HydrophobicContact CE2-CG2 4.04Å; T134-I335 HydrophobicContact CG2-CD1 3.99Å; I137-I335 HydrophobicContact CD1-CD1 4.08Å; F331-I335 WeakPolarHBondContact O-CG1 3.42Å; F331-I335 PolarHBondContact O-N 3.44Å; L332-I335 PolarHBondContact O-N 2.89Å; I335-F337 PolarHBondContact O-N 2.99Å; I335-V338 PolarHBondContact O-N 3.2Å; I335-I339 HydrophobicContact CG2-CD1 3.8Å; I335-I339 WeakPolarHBondContact O-CG1 3.34Å; I335-I339 PolarHBondContact O-N 2.91Å; I335-I339 VanDerWaalsContact O-N 3.15Å; I335-I492 HydrophobicContact CG2-CD1 4.09Å |
| 336 | Y | 97.2 | Very high | 95.9 | Very high | 15 Ų | 15 | 62.7 Ų | 62.7 | 6% | 0.059 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -58 | -47.4 | 175.5 | 179.8 | -91.5 | 0 | 0 | 0 | 112.2 | L332 P333 S334 T340 K342 P344 F347 Y488 I492 | L332-Y336 PolarHBondContact O-N 2.94Å; P333-Y336 PolarHBondContact O-N 3.25Å; S334-Y336 VanDerWaalsContact C-N 3.33Å; S334-Y336 PolarHBondContact O-N 2.78Å; Y336-T340 WeakPolarHBondContact CD1-OG1 3.36Å; Y336-T340 HydrophobicContact CD2-CG2 3.95Å; Y336-T340 VanDerWaalsContact CE1-OG1 3.26Å; Y336-T340 WeakPolarHBondContact CE1-OG1 3.25Å; Y336-T340 HydrophobicContact CE2-CG2 3.76Å; Y336-T340 HydrophobicContact CG-CG2 4.44Å; Y336-T340 WeakPolarHBondContact O-CB 3.49Å; Y336-T340 WeakPolarHBondContact O-CG2 3.42Å; Y336-T340 PolarHBondContact O-N 3.19Å; Y336-T340 PolarHBondContact O-OG1 3.45Å; Y336-K342 HydrophobicContact CE1-CB 4.01Å; Y336-P344 HydrophobicContact CD1-CB 3.83Å; Y336-F347 HydrophobicContact CE1-CB 4.25Å; Y336-F347 HydrophobicContact CE1-CD2 4.5Å; Y336-F347 HydrophobicContact CE1-CG 4.49Å; Y336-F347 AromaticContact CE2-CD2 3.86Å; Y336-F347 HydrophobicContact CE2-CD2 3.86Å; Y336-F347 HydrophobicContact CE2-CE2 4Å; Y336-F347 HydrophobicContact CE2-CG 4.23Å; Y336-F347 AromaticContact CZ-CD2 3.64Å; Y336-F347 VanDerWaalsContact OH-CD2 3.26Å; Y336-F347 WeakPolarHBondContact OH-CD2 3.28Å; Y336-Y488 HydrophobicContact CD1-CD1 4.35Å; Y336-Y488 HydrophobicContact CD1-CE1 4.22Å; Y336-Y488 AromaticContact CD2-CD1 3.5Å; Y336-Y488 HydrophobicContact CD2-CD1 3.5Å; Y336-Y488 VanDerWaalsContact CD2-CD1 3.5Å; Y336-Y488 HydrophobicContact CD2-CE1 4.16Å; Y336-Y488 HydrophobicContact CD2-CG 4.47Å; Y336-Y488 HydrophobicContact CE2-CD1 4.22Å; Y336-Y488 AromaticContact CG-CD1 3.57Å; Y336-Y488 HydrophobicContact CG-CD1 3.57Å; Y336-Y488 AromaticContact CG-CE1 3.86Å; Y336-Y488 HydrophobicContact CG-CE1 3.86Å; Y336-I492 HydrophobicContact CD2-CD1 4.37Å; Y336-I492 HydrophobicContact CD2-CG1 3.83Å |
| 337 | F | 97.3 | Very high | 95.8 | Very high | 103 Ų | 103 | 61.1 Ų | 61.1 | 45% | 0.452 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.5 | -44.2 | -179.7 | 177.3 | -102.9 | 0 | 0 | 0 | 112.3 | P333 S334 I335 I339 R341 K342 P344 | P333-F337 WeakPolarHBondContact O-CB 3.41Å; P333-F337 PolarHBondContact O-N 3.42Å; S334-F337 PolarHBondContact O-N 3.17Å; I335-F337 PolarHBondContact O-N 2.99Å; F337-I339 VanDerWaalsContact C-N 3.33Å; F337-I339 PolarHBondContact O-N 3.28Å; F337-R341 WeakPolarHBondContact O-CA 3.31Å; F337-R341 PolarHBondContact O-N 2.78Å; F337-K342 WeakPolarHBondContact CD2-O 3.4Å; F337-P344 HydrophobicContact CB-CG 4.41Å |
| 338 | V | 96.9 | Very high | 95.7 | Very high | 95 Ų | 95 | 63.9 Ų | 63.9 | 58% | 0.576 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -62.3 | -42.3 | -178.8 | 169 | 0 | 0 | 0 | 0 | 111.2 | S334 I335 R341 | S334-V338 WeakPolarHBondContact O-CB 3.24Å; S334-V338 VanDerWaalsContact O-CG2 3.28Å; S334-V338 WeakPolarHBondContact O-CG2 3.36Å; S334-V338 PolarHBondContact O-N 3.04Å; I335-V338 PolarHBondContact O-N 3.2Å; V338-R341 PolarHBondContact O-NE 2.86Å |
| 339 | I | 96.2 | Very high | 95.7 | Very high | 64 Ų | 64 | 69.3 Ų | 69.3 | 33% | 0.328 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -80.5 | -50 | -176.7 | -61.1 | 171.4 | 0 | 0 | 0 | 111.6 | I335 F337 I492 L496 | I335-I339 HydrophobicContact CG2-CD1 3.8Å; I335-I339 WeakPolarHBondContact O-CG1 3.34Å; I335-I339 PolarHBondContact O-N 2.91Å; I335-I339 VanDerWaalsContact O-N 3.15Å; F337-I339 VanDerWaalsContact C-N 3.33Å; F337-I339 PolarHBondContact O-N 3.28Å; I339-I492 HydrophobicContact CD1-CD1 4.39Å; I339-I492 HydrophobicContact CD1-CG2 3.98Å; I339-I492 HydrophobicContact CG2-CG2 3.94Å; I339-L496 HydrophobicContact CG2-CD1 4.25Å; I339-L496 HydrophobicContact CG2-CD2 3.95Å; I339-L496 HydrophobicContact CG2-CG 4.17Å |
| 340 | T | 95.1 | Very high | 95.4 | Very high | 5 Ų | 5 | 67 Ų | 67 | 3% | 0.031 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -88.4 | -16.6 | -172.7 | 70.1 | 0 | 0 | 0 | 0 | 113.8 | Y336 K342 I492 H495 | Y336-T340 WeakPolarHBondContact CD1-OG1 3.36Å; Y336-T340 HydrophobicContact CD2-CG2 3.95Å; Y336-T340 VanDerWaalsContact CE1-OG1 3.26Å; Y336-T340 WeakPolarHBondContact CE1-OG1 3.25Å; Y336-T340 HydrophobicContact CE2-CG2 3.76Å; Y336-T340 HydrophobicContact CG-CG2 4.44Å; Y336-T340 WeakPolarHBondContact O-CB 3.49Å; Y336-T340 WeakPolarHBondContact O-CG2 3.42Å; Y336-T340 PolarHBondContact O-N 3.19Å; Y336-T340 PolarHBondContact O-OG1 3.45Å; T340-K342 PolarHBondContact O-N 3.06Å; T340-K342 VanDerWaalsContact O-N 3.09Å; T340-K342 PolarHBondContact OG1-N 2.66Å; T340-I492 HydrophobicContact CG2-CG1 4.08Å; T340-H495 HydrophobicContact CG2-CB 3.88Å |
| 341 | R | 94.7 | Very high | 95.4 | Very high | 199 Ų | 199 | 62.6 Ų | 62.6 | 75% | 0.751 | 31% | 0.309 | S | S | * | . | trans | 53.1 | 23.7 | -171.7 | -57.6 | -62.5 | -171.2 | 112.1 | 2.2 | 113.7 | F337 V338 | F337-R341 WeakPolarHBondContact O-CA 3.31Å; F337-R341 PolarHBondContact O-N 2.78Å; V338-R341 PolarHBondContact O-NE 2.86Å | ||
| 342 | K | 93.2 | Very high | 95 | Very high | 112 Ų | 112 | 62.7 Ų | 62.7 | 49% | 0.487 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -108.1 | 155.9 | 177 | -68.7 | -179.7 | -178.3 | -175.8 | 0 | 111.2 | Y336 F337 T340 P344 | Y336-K342 HydrophobicContact CE1-CB 4.01Å; F337-K342 WeakPolarHBondContact CD2-O 3.4Å; T340-K342 PolarHBondContact O-N 3.06Å; T340-K342 VanDerWaalsContact O-N 3.09Å; T340-K342 PolarHBondContact OG1-N 2.66Å; K342-P344 VanDerWaalsContact O-CD 3.28Å; K342-P344 WeakPolarHBondContact O-CD 3.4Å |
| 343 | N | 95.1 | Very high | 93.9 | Very high | 86 Ų | 86 | 67.5 Ų | 67.5 | 46% | 0.46 | 33% | 0.332 | S | S | . | . | trans | -67 | 115.1 | 180 | -173.9 | -9.8 | 0 | 0 | 0 | 111.2 | F345 | N343-F345 VanDerWaalsContact C-N 3.31Å; N343-F345 PolarHBondContact O-N 3.46Å; N343-F345 WeakPolarHBondContact OD1-CB 3.48Å; N343-F345 WeakPolarHBondContact OD1-CD2 3.49Å; N343-F345 PolarHBondContact OD1-N 2.85Å | ||
| 344 | P | 95.3 | Very high | 93.1 | Very high | 11 Ų | 11 | 66.9 Ų | 66.9 | 7% | 0.071 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -69.9 | -26.2 | -179.8 | 28.5 | -34.8 | 0 | 0 | 0 | 113 | P333 Y336 F337 K342 T346 F347 F348 Y488 | P333-P344 HydrophobicContact CB-CB 3.73Å; P333-P344 HydrophobicContact CB-CG 3.91Å; Y336-P344 HydrophobicContact CD1-CB 3.83Å; F337-P344 HydrophobicContact CB-CG 4.41Å; K342-P344 VanDerWaalsContact O-CD 3.28Å; K342-P344 WeakPolarHBondContact O-CD 3.4Å; P344-T346 PolarHBondContact O-N 3.48Å; P344-F347 WeakPolarHBondContact O-CB 3.39Å; P344-F347 PolarHBondContact O-N 3.41Å; P344-F348 PolarHBondContact O-N 3.43Å; P344-Y488 HydrophobicContact CB-CE1 4.13Å; P344-Y488 PolarHBondContact O-OH 2.85Å |
| 345 | F | 93.9 | Very high | 92.9 | Very high | 146 Ų | 146 | 67.2 Ų | 67.2 | 64% | 0.64 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -66.9 | -39.4 | -179.8 | -66.6 | -76.5 | 0 | 0 | 0 | 111.8 | N343 F347 F348 L349 | N343-F345 VanDerWaalsContact C-N 3.31Å; N343-F345 PolarHBondContact O-N 3.46Å; N343-F345 WeakPolarHBondContact OD1-CB 3.48Å; N343-F345 WeakPolarHBondContact OD1-CD2 3.49Å; N343-F345 PolarHBondContact OD1-N 2.85Å; F345-F347 VanDerWaalsContact C-N 3.28Å; F345-F347 PolarHBondContact O-N 3Å; F345-F348 PolarHBondContact O-N 3.28Å; F345-L349 WeakPolarHBondContact O-CG 3.44Å; F345-L349 PolarHBondContact O-N 3.48Å |
| 346 | T | 93.9 | Very high | 91.9 | Very high | 89 Ų | 89 | 69.1 Ų | 69.1 | 55% | 0.546 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.2 | -39.1 | 173.7 | -51 | 0 | 0 | 0 | 0 | 110.9 | P344 L349 G350 | P344-T346 PolarHBondContact O-N 3.48Å; T346-L349 PolarHBondContact O-N 3.29Å; T346-G350 PolarHBondContact O-N 2.91Å |
| 347 | F | 96.3 | Very high | 90.6 | Very high | 10 Ų | 10 | 70.4 Ų | 70.4 | 4% | 0.044 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.2 | -48.1 | 175 | -168.2 | -85 | 0 | 0 | 0 | 111.6 | Y336 P344 F345 L349 G350 I351 L375 L379 I381 S487 Y488 | Y336-F347 HydrophobicContact CE1-CB 4.25Å; Y336-F347 HydrophobicContact CE1-CD2 4.5Å; Y336-F347 HydrophobicContact CE1-CG 4.49Å; Y336-F347 AromaticContact CE2-CD2 3.86Å; Y336-F347 HydrophobicContact CE2-CD2 3.86Å; Y336-F347 HydrophobicContact CE2-CE2 4Å; Y336-F347 HydrophobicContact CE2-CG 4.23Å; Y336-F347 AromaticContact CZ-CD2 3.64Å; Y336-F347 VanDerWaalsContact OH-CD2 3.26Å; Y336-F347 WeakPolarHBondContact OH-CD2 3.28Å; P344-F347 WeakPolarHBondContact O-CB 3.39Å; P344-F347 PolarHBondContact O-N 3.41Å; F345-F347 VanDerWaalsContact C-N 3.28Å; F345-F347 PolarHBondContact O-N 3Å; F347-L349 VanDerWaalsContact C-N 3.32Å; F347-L349 PolarHBondContact O-N 3.01Å; F347-G350 WeakPolarHBondContact O-CA 3.41Å; F347-G350 PolarHBondContact O-N 2.87Å; F347-I351 HydrophobicContact CD1-CD1 4.33Å; F347-I351 HydrophobicContact CE1-CD1 4.21Å; F347-I351 HydrophobicContact CE1-CG2 4.26Å; F347-I351 PolarHBondContact O-N 3.4Å; F347-L375 HydrophobicContact CE1-CD2 4.23Å; F347-L375 HydrophobicContact CE2-CD2 4.49Å; F347-L375 HydrophobicContact CZ-CD2 3.67Å; F347-L379 HydrophobicContact CD1-CD1 4.23Å; F347-L379 HydrophobicContact CD2-CD1 3.84Å; F347-L379 HydrophobicContact CD2-CD2 4.2Å; F347-L379 HydrophobicContact CE1-CD1 4.07Å; F347-L379 HydrophobicContact CE2-CD1 3.69Å; F347-L379 HydrophobicContact CG-CD1 4.11Å; F347-L379 HydrophobicContact CZ-CD1 3.8Å; F347-I381 HydrophobicContact CE2-CD1 3.96Å; F347-I381 HydrophobicContact CZ-CD1 4.06Å; F347-S487 VanDerWaalsContact CZ-O 3.23Å; F347-S487 WeakPolarHBondContact CZ-O 3.49Å; F347-Y488 HydrophobicContact CB-CE1 4.18Å; F347-Y488 AromaticContact CD1-CD1 3.57Å; F347-Y488 HydrophobicContact CD1-CD1 3.57Å; F347-Y488 AromaticContact CD1-CE1 3.47Å; F347-Y488 HydrophobicContact CD1-CE1 3.47Å; F347-Y488 VanDerWaalsContact CD1-CE1 3.47Å; F347-Y488 HydrophobicContact CD1-CG 4.45Å; F347-Y488 AromaticContact CE1-CD1 3.8Å; F347-Y488 HydrophobicContact CE1-CD1 3.8Å; F347-Y488 HydrophobicContact CE1-CE1 4.17Å; F347-Y488 HydrophobicContact CE1-CG 4.37Å; F347-Y488 HydrophobicContact CG-CD1 4.3Å; F347-Y488 HydrophobicContact CG-CE1 4.06Å |
| 348 | F | 95.3 | Very high | 89.7 | Confident | 58 Ų | 58 | 65.5 Ų | 65.5 | 25% | 0.254 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -58.3 | -42 | 177.8 | -177.5 | -102.9 | 0 | 0 | 0 | 112.5 | P344 F345 G350 I351 F352 W355 V484 | P344-F348 PolarHBondContact O-N 3.43Å; F345-F348 PolarHBondContact O-N 3.28Å; F348-G350 VanDerWaalsContact C-N 3.25Å; F348-G350 PolarHBondContact O-N 2.88Å; F348-I351 HydrophobicContact CD2-CD1 4.43Å; F348-I351 HydrophobicContact CD2-CG1 4.41Å; F348-I351 CarbonylContact O-C 3.43Å; F348-I351 VanDerWaalsContact O-CG1 3.31Å; F348-I351 WeakPolarHBondContact O-CG1 3.29Å; F348-I351 PolarHBondContact O-N 3.33Å; F348-I351 VanDerWaalsContact O-N 3.14Å; F348-F352 AromaticContact CE1-CD2 3.85Å; F348-F352 HydrophobicContact CE1-CD2 3.85Å; F348-F352 HydrophobicContact CE1-CE2 4.4Å; F348-F352 HydrophobicContact CZ-CD2 4.23Å; F348-F352 PolarHBondContact O-N 2.85Å; F348-W355 HydrophobicContact CE2-CB 4.42Å; F348-W355 HydrophobicContact CE2-CG 4.23Å; F348-W355 HydrophobicContact CZ-CD2 4.16Å; F348-W355 HydrophobicContact CZ-CE3 4.43Å; F348-W355 HydrophobicContact CZ-CG 4.18Å; F348-V484 HydrophobicContact CE2-CG2 4.06Å |
| 349 | L | 94.1 | Very high | 88.9 | Confident | 129 Ų | 129 | 63.1 Ų | 63.1 | 68% | 0.675 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -60.8 | -34.9 | 175.7 | -73.2 | 172.1 | 0 | 0 | 0 | 112.3 | F345 T346 F347 I351 F352 | F345-L349 WeakPolarHBondContact O-CG 3.44Å; F345-L349 PolarHBondContact O-N 3.48Å; T346-L349 PolarHBondContact O-N 3.29Å; F347-L349 VanDerWaalsContact C-N 3.32Å; F347-L349 PolarHBondContact O-N 3.01Å; L349-I351 VanDerWaalsContact C-N 3.34Å; L349-I351 PolarHBondContact O-N 2.84Å; L349-F352 WeakPolarHBondContact O-CB 3.47Å; L349-F352 PolarHBondContact O-N 3.47Å |
| 350 | G | 90.4 | Very high | 87.4 | Confident | 12 Ų | 12 | 61 Ų | 61 | 12% | 0.124 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66 | -32.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | T346 F347 F348 C374 N378 | T346-G350 PolarHBondContact O-N 2.91Å; F347-G350 WeakPolarHBondContact O-CA 3.41Å; F347-G350 PolarHBondContact O-N 2.87Å; F348-G350 VanDerWaalsContact C-N 3.25Å; F348-G350 PolarHBondContact O-N 2.88Å; G350-C374 WeakPolarHBondContact O-CB 3.45Å; G350-N378 PolarHBondContact O-ND2 3.01Å |
| 351 | I | 94.3 | Very high | 86 | Confident | 1 Ų | 1 | 63.7 Ų | 63.7 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -99.4 | 4.2 | 178.5 | 64.5 | 172.3 | 0 | 0 | 0 | 114.4 | F347 F348 L349 Q353 A354 W355 C374 L375 L379 V484 S487 | F347-I351 HydrophobicContact CD1-CD1 4.33Å; F347-I351 HydrophobicContact CE1-CD1 4.21Å; F347-I351 HydrophobicContact CE1-CG2 4.26Å; F347-I351 PolarHBondContact O-N 3.4Å; F348-I351 HydrophobicContact CD2-CD1 4.43Å; F348-I351 HydrophobicContact CD2-CG1 4.41Å; F348-I351 CarbonylContact O-C 3.43Å; F348-I351 VanDerWaalsContact O-CG1 3.31Å; F348-I351 WeakPolarHBondContact O-CG1 3.29Å; F348-I351 PolarHBondContact O-N 3.33Å; F348-I351 VanDerWaalsContact O-N 3.14Å; L349-I351 VanDerWaalsContact C-N 3.34Å; L349-I351 PolarHBondContact O-N 2.84Å; I351-Q353 PolarHBondContact O-N 2.77Å; I351-Q353 VanDerWaalsContact O-N 3.09Å; I351-A354 WeakPolarHBondContact O-CB 3.44Å; I351-A354 PolarHBondContact O-N 3.43Å; I351-W355 PolarHBondContact O-N 3.2Å; I351-W355 VanDerWaalsContact O-N 3.13Å; I351-C374 HydrophobicContact CG2-CB 4.3Å; I351-L375 HydrophobicContact CG2-CD2 3.73Å; I351-L375 HydrophobicContact CG2-CG 4.2Å; I351-L379 HydrophobicContact CG2-CD1 3.53Å; I351-V484 HydrophobicContact CD1-CG2 4.37Å; I351-S487 VanDerWaalsContact CD1-CB 3.48Å |
| 352 | F | 89.5 | Confident | 85 | Confident | 76 Ų | 76 | 54.4 Ų | 54.4 | 33% | 0.333 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -55.1 | -36 | -172.4 | -177.2 | -107.1 | 0 | 0 | 0 | 113.6 | F348 L349 W355 I356 | F348-F352 AromaticContact CE1-CD2 3.85Å; F348-F352 HydrophobicContact CE1-CD2 3.85Å; F348-F352 HydrophobicContact CE1-CE2 4.4Å; F348-F352 HydrophobicContact CZ-CD2 4.23Å; F348-F352 PolarHBondContact O-N 2.85Å; L349-F352 WeakPolarHBondContact O-CB 3.47Å; L349-F352 PolarHBondContact O-N 3.47Å; F352-W355 AromaticContact CD2-CE3 3.95Å; F352-W355 HydrophobicContact CD2-CE3 3.95Å; F352-W355 HydrophobicContact CD2-CZ3 4.42Å; F352-W355 AromaticContact CE2-CE3 3.68Å; F352-W355 HydrophobicContact CE2-CE3 3.68Å; F352-W355 AromaticContact CE2-CZ3 3.68Å; F352-W355 HydrophobicContact CE2-CZ3 3.68Å; F352-W355 HydrophobicContact CZ-CE3 4.39Å; F352-W355 HydrophobicContact CZ-CZ3 4.19Å; F352-W355 PolarHBondContact O-N 3.03Å; F352-I356 HydrophobicContact CD1-CD1 3.97Å; F352-I356 HydrophobicContact CD1-CG1 4.49Å; F352-I356 HydrophobicContact CE1-CD1 3.26Å; F352-I356 HydrophobicContact CE1-CG1 4.08Å; F352-I356 HydrophobicContact CE2-CD1 4.35Å; F352-I356 HydrophobicContact CE2-CG1 4.46Å; F352-I356 HydrophobicContact CZ-CD1 3.5Å; F352-I356 VanDerWaalsContact CZ-CD1 3.5Å; F352-I356 HydrophobicContact CZ-CG1 4.07Å; F352-I356 PolarHBondContact O-N 3.15Å |
| 353 | Q | 73.7 | Confident | 84.2 | Confident | 101 Ų | 101 | 49.7 Ų | 49.7 | 47% | 0.472 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.7 | -44.1 | 175.5 | -72.2 | -64.4 | -50.4 | 0 | 0 | 112.1 | I351 W355 I356 T357 V370 | I351-Q353 PolarHBondContact O-N 2.77Å; I351-Q353 VanDerWaalsContact O-N 3.09Å; Q353-W355 VanDerWaalsContact C-N 3.34Å; Q353-W355 PolarHBondContact O-N 3.49Å; Q353-I356 PolarHBondContact O-N 3.35Å; Q353-T357 WeakPolarHBondContact O-CB 3.38Å; Q353-T357 PolarHBondContact O-N 2.98Å; Q353-T357 PolarHBondContact O-OG1 3.41Å; Q353-V370 HydrophobicContact CB-CG1 4.39Å |
| 354 | A | 79 | Confident | 83.6 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.2 | -40.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | I351 T357 A358 T367 V370 V483 | I351-A354 WeakPolarHBondContact O-CB 3.44Å; I351-A354 PolarHBondContact O-N 3.43Å; A354-T357 PolarHBondContact O-N 3.29Å; A354-A358 WeakPolarHBondContact O-CB 3.28Å; A354-A358 PolarHBondContact O-N 3.29Å; A354-T367 HydrophobicContact CB-CG2 4.34Å; A354-T367 WeakPolarHBondContact O-CG2 3.19Å; A354-V370 HydrophobicContact CB-CG1 4.24Å; A354-V483 HydrophobicContact CB-CG1 4.29Å |
| 355 | W | 92.1 | Very high | 82.3 | Confident | 66 Ų | 66 | 46.7 Ų | 46.7 | 25% | 0.25 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.5 | -47.7 | 175.4 | 173.7 | 76.1 | 0 | 0 | 0 | 112.5 | F348 I351 F352 Q353 T357 A358 L359 S480 V484 | F348-W355 HydrophobicContact CE2-CB 4.42Å; F348-W355 HydrophobicContact CE2-CG 4.23Å; F348-W355 HydrophobicContact CZ-CD2 4.16Å; F348-W355 HydrophobicContact CZ-CE3 4.43Å; F348-W355 HydrophobicContact CZ-CG 4.18Å; I351-W355 PolarHBondContact O-N 3.2Å; I351-W355 VanDerWaalsContact O-N 3.13Å; F352-W355 AromaticContact CD2-CE3 3.95Å; F352-W355 HydrophobicContact CD2-CE3 3.95Å; F352-W355 HydrophobicContact CD2-CZ3 4.42Å; F352-W355 AromaticContact CE2-CE3 3.68Å; F352-W355 HydrophobicContact CE2-CE3 3.68Å; F352-W355 AromaticContact CE2-CZ3 3.68Å; F352-W355 HydrophobicContact CE2-CZ3 3.68Å; F352-W355 HydrophobicContact CZ-CE3 4.39Å; F352-W355 HydrophobicContact CZ-CZ3 4.19Å; F352-W355 PolarHBondContact O-N 3.03Å; Q353-W355 VanDerWaalsContact C-N 3.34Å; Q353-W355 PolarHBondContact O-N 3.49Å; W355-T357 VanDerWaalsContact C-N 3.33Å; W355-T357 PolarHBondContact O-N 3.5Å; W355-A358 PolarHBondContact O-N 2.85Å; W355-L359 HydrophobicContact CH2-CD2 4.09Å; W355-L359 HydrophobicContact CZ2-CD2 4.09Å; W355-L359 WeakPolarHBondContact O-CB 3.22Å; W355-L359 PolarHBondContact O-N 3.36Å; W355-S480 PolarHBondContact NE1-OG 2.49Å; W355-V484 HydrophobicContact CB-CG2 4.18Å; W355-V484 HydrophobicContact CG-CG2 4.22Å |
| 356 | I | 76.9 | Confident | 80.7 | Confident | 74 Ų | 74 | 42 Ų | 42 | 38% | 0.379 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.9 | -42.8 | 175.8 | -71.7 | -174.1 | 0 | 0 | 0 | 111 | F352 Q353 L359 G360 | F352-I356 HydrophobicContact CD1-CD1 3.97Å; F352-I356 HydrophobicContact CD1-CG1 4.49Å; F352-I356 HydrophobicContact CE1-CD1 3.26Å; F352-I356 HydrophobicContact CE1-CG1 4.08Å; F352-I356 HydrophobicContact CE2-CD1 4.35Å; F352-I356 HydrophobicContact CE2-CG1 4.46Å; F352-I356 HydrophobicContact CZ-CD1 3.5Å; F352-I356 VanDerWaalsContact CZ-CD1 3.5Å; F352-I356 HydrophobicContact CZ-CG1 4.07Å; F352-I356 PolarHBondContact O-N 3.15Å; Q353-I356 PolarHBondContact O-N 3.35Å; I356-L359 PolarHBondContact O-N 3.02Å; I356-G360 PolarHBondContact O-N 3.34Å |
| 357 | T | 69 | Low | 79.8 | Confident | 41 Ų | 41 | 37.7 Ų | 37.7 | 25% | 0.252 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61.8 | -45.2 | 178 | -61 | 0 | 0 | 0 | 0 | 111 | Q353 A354 W355 L359 G360 T361 T367 V370 | Q353-T357 WeakPolarHBondContact O-CB 3.38Å; Q353-T357 PolarHBondContact O-N 2.98Å; Q353-T357 PolarHBondContact O-OG1 3.41Å; A354-T357 PolarHBondContact O-N 3.29Å; W355-T357 VanDerWaalsContact C-N 3.33Å; W355-T357 PolarHBondContact O-N 3.5Å; T357-L359 PolarHBondContact O-N 3.48Å; T357-G360 PolarHBondContact O-N 2.87Å; T357-G360 VanDerWaalsContact O-N 3.13Å; T357-T361 HydrophobicContact CG2-CG2 3.97Å; T357-T361 WeakPolarHBondContact O-CB 3.49Å; T357-T361 WeakPolarHBondContact O-CG2 3.37Å; T357-T361 PolarHBondContact O-N 3.11Å; T357-T361 PolarHBondContact O-OG1 2.83Å; T357-T367 HydrophobicContact CG2-CG2 3.83Å; T357-V370 HydrophobicContact CG2-CG2 4.24Å |
| 358 | A | 78.7 | Confident | 78.7 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.5 | -42.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A354 W355 G360 A362 T367 T479 V483 | A354-A358 WeakPolarHBondContact O-CB 3.28Å; A354-A358 PolarHBondContact O-N 3.29Å; W355-A358 PolarHBondContact O-N 2.85Å; A358-G360 PolarHBondContact O-N 3.24Å; A358-A362 WeakPolarHBondContact O-CA 3.16Å; A358-A362 PolarHBondContact O-N 3.47Å; A358-T367 WeakPolarHBondContact CA-OG1 3.36Å; A358-T367 HydrophobicContact CB-CG2 4.05Å; A358-T479 HydrophobicContact CB-CG2 4.24Å; A358-V483 HydrophobicContact CB-CB 3.98Å; A358-V483 HydrophobicContact CB-CG1 4.33Å; A358-V483 HydrophobicContact CB-CG2 3.75Å |
| 359 | L | 80.4 | Confident | 77.3 | Confident | 46 Ų | 46 | 40.5 Ų | 40.5 | 24% | 0.241 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.6 | -35 | 174.8 | -172.3 | 71.1 | 0 | 0 | 0 | 111.7 | W355 I356 T357 R476 F477 | W355-L359 HydrophobicContact CH2-CD2 4.09Å; W355-L359 HydrophobicContact CZ2-CD2 4.09Å; W355-L359 WeakPolarHBondContact O-CB 3.22Å; W355-L359 PolarHBondContact O-N 3.36Å; I356-L359 PolarHBondContact O-N 3.02Å; T357-L359 PolarHBondContact O-N 3.48Å; L359-R476 HydrophobicContact CD1-CB 4.1Å; L359-R476 WeakPolarHBondContact O-CB 3.26Å; L359-R476 VanDerWaalsContact O-CG 3.31Å; L359-R476 WeakPolarHBondContact O-CG 3.4Å; L359-F477 HydrophobicContact CD1-CD1 3.97Å; L359-F477 HydrophobicContact CD1-CE1 4.13Å; L359-F477 HydrophobicContact CD1-CG 4.37Å |
| 360 | G | 63.9 | Low | 76.1 | Confident | 18 Ų | 18 | 36.3 Ų | 36.3 | 19% | 0.186 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -78.1 | -44.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114 | L54 I356 T357 A358 | L54-G360 WeakPolarHBondContact CD1-O 3.34Å; I356-G360 PolarHBondContact O-N 3.34Å; T357-G360 PolarHBondContact O-N 2.87Å; T357-G360 VanDerWaalsContact O-N 3.13Å; A358-G360 PolarHBondContact O-N 3.24Å |
| 361 | T | 65.7 | Low | 75.6 | Confident | 62 Ų | 62 | 35.9 Ų | 35.9 | 38% | 0.38 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -83.7 | -23.4 | -174.7 | 61.3 | 0 | 0 | 0 | 0 | 112.9 | T357 S363 T367 | T357-T361 HydrophobicContact CG2-CG2 3.97Å; T357-T361 WeakPolarHBondContact O-CB 3.49Å; T357-T361 WeakPolarHBondContact O-CG2 3.37Å; T357-T361 PolarHBondContact O-N 3.11Å; T357-T361 PolarHBondContact O-OG1 2.83Å; T361-S363 PolarHBondContact O-N 2.83Å; T361-S363 VanDerWaalsContact O-N 3.16Å; T361-S363 PolarHBondContact OG1-N 2.95Å; T361-S363 PolarHBondContact OG1-O 3.38Å; T361-T367 PolarHBondContact OG1-OG1 3.48Å; T361-T367 VanDerWaalsContact OG1-OG1 3.07Å |
| 362 | A | 74.6 | Confident | 74.7 | Confident | 4 Ų | 4 | 38 Ų | 38 | 3% | 0.033 | 22% | 0.22 | C | C | . | . | trans | 55.1 | 19.7 | -168.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | A358 P443 R476 T479 | A358-A362 WeakPolarHBondContact O-CA 3.16Å; A358-A362 PolarHBondContact O-N 3.47Å; A362-P443 HydrophobicContact CB-CB 4.43Å; A362-P443 HydrophobicContact CB-CG 4.34Å; A362-R476 HydrophobicContact CB-CG 3.85Å; A362-T479 PolarHBondContact O-OG1 2.79Å; A362-T479 VanDerWaalsContact O-OG1 3.05Å | ||
| 363 | S | 76.4 | Confident | 74 | Confident | 13 Ų | 13 | 40.6 Ų | 40.6 | 9% | 0.091 | 23% | 0.227 | C | C | . | . | trans | -128.6 | 122.7 | 178.4 | 177.6 | 0 | 0 | 0 | 0 | 112.3 | T361 G366 T367 S441 T479 | T361-S363 PolarHBondContact O-N 2.83Å; T361-S363 VanDerWaalsContact O-N 3.16Å; T361-S363 PolarHBondContact OG1-N 2.95Å; T361-S363 PolarHBondContact OG1-O 3.38Å; S363-G366 PolarHBondContact OG-N 3.28Å; S363-T367 WeakPolarHBondContact O-CB 3.4Å; S363-T367 PolarHBondContact O-N 3.41Å; S363-T367 VanDerWaalsContact O-N 3.16Å; S363-T367 PolarHBondContact O-OG1 3.37Å; S363-S441 PolarHBondContact OG-O 3.32Å; S363-T479 VanDerWaalsContact C-CG2 3.4Å | ||
| 364 | S | 81.8 | Confident | 74.4 | Confident | 4 Ų | 4 | 35.8 Ų | 35.8 | 3% | 0.028 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67 | -43.5 | 174.7 | -52.9 | 0 | 0 | 0 | 0 | 110.6 | G366 T367 L368 T479 | S364-G366 PolarHBondContact O-N 3.17Å; S364-T367 PolarHBondContact O-N 3.33Å; S364-L368 PolarHBondContact O-N 2.9Å; S364-L368 VanDerWaalsContact O-N 3.14Å; S364-T479 VanDerWaalsContact N-CG2 3.33Å |
| 365 | A | 68 | Low | 74.9 | Confident | 31 Ų | 31 | 35.8 Ų | 35.8 | 26% | 0.256 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -64 | -41.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | M278 T367 L368 | M278-A365 HydrophobicContact CE-CB 3.77Å; A365-T367 PolarHBondContact O-N 2.82Å; A365-L368 WeakPolarHBondContact O-CB 3.45Å; A365-L368 PolarHBondContact O-N 3.17Å |
| 366 | G | 61.7 | Low | 74.7 | Confident | 46 Ų | 46 | 34.4 Ų | 34.4 | 47% | 0.474 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -65.9 | -21 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114 | S363 S364 | S363-G366 PolarHBondContact OG-N 3.28Å; S364-G366 PolarHBondContact O-N 3.17Å |
| 367 | T | 73.6 | Confident | 75.2 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -95.3 | -14.6 | -179.6 | -53.9 | 0 | 0 | 0 | 0 | 112.9 | A354 T357 A358 T361 S363 S364 A365 P369 V370 T371 V483 | A354-T367 HydrophobicContact CB-CG2 4.34Å; A354-T367 WeakPolarHBondContact O-CG2 3.19Å; T357-T367 HydrophobicContact CG2-CG2 3.83Å; A358-T367 WeakPolarHBondContact CA-OG1 3.36Å; A358-T367 HydrophobicContact CB-CG2 4.05Å; T361-T367 PolarHBondContact OG1-OG1 3.48Å; T361-T367 VanDerWaalsContact OG1-OG1 3.07Å; S363-T367 WeakPolarHBondContact O-CB 3.4Å; S363-T367 PolarHBondContact O-N 3.41Å; S363-T367 VanDerWaalsContact O-N 3.16Å; S363-T367 PolarHBondContact O-OG1 3.37Å; S364-T367 PolarHBondContact O-N 3.33Å; A365-T367 PolarHBondContact O-N 2.82Å; T367-P369 VanDerWaalsContact C-CD 3.45Å; T367-V370 WeakPolarHBondContact O-CB 3.34Å; T367-V370 PolarHBondContact O-N 2.86Å; T367-T371 PolarHBondContact O-N 2.96Å; T367-T371 VanDerWaalsContact O-N 3.07Å; T367-T371 PolarHBondContact O-OG1 3.31Å; T367-V483 HydrophobicContact CG2-CG1 4.33Å |
| 368 | L | 72.8 | Confident | 76.2 | Confident | 35 Ų | 35 | 39.9 Ų | 39.9 | 18% | 0.183 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -50.3 | -43.2 | -173.1 | -169.7 | 66.7 | 0 | 0 | 0 | 114.5 | S364 A365 V370 T371 F372 L390 P391 | S364-L368 PolarHBondContact O-N 2.9Å; S364-L368 VanDerWaalsContact O-N 3.14Å; A365-L368 WeakPolarHBondContact O-CB 3.45Å; A365-L368 PolarHBondContact O-N 3.17Å; L368-V370 VanDerWaalsContact C-N 3.33Å; L368-V370 PolarHBondContact O-N 3.05Å; L368-T371 WeakPolarHBondContact O-CB 3.28Å; L368-T371 PolarHBondContact O-N 3.19Å; L368-F372 HydrophobicContact CD1-CD2 4.4Å; L368-F372 HydrophobicContact CD1-CE2 4Å; L368-F372 HydrophobicContact CD2-CE2 3.94Å; L368-F372 HydrophobicContact CG-CD2 3.93Å; L368-F372 HydrophobicContact CG-CE2 3.57Å; L368-F372 WeakPolarHBondContact O-CD2 3.09Å; L368-F372 PolarHBondContact O-N 3.46Å; L368-L390 HydrophobicContact CD1-CB 3.65Å; L368-P391 HydrophobicContact CD2-CG 4.46Å |
| 369 | P | 65.9 | Low | 76.8 | Confident | 91 Ų | 91 | 41.9 Ų | 41.9 | 59% | 0.591 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -62.9 | -35.8 | 177.5 | -22.8 | 34.9 | 0 | 0 | 0 | 113.9 | T367 R373 | T367-P369 VanDerWaalsContact C-CD 3.45Å; P369-R373 PolarHBondContact O-N 3.06Å |
| 370 | V | 69.6 | Low | 77.4 | Confident | 41 Ų | 41 | 43.1 Ų | 43.1 | 25% | 0.248 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -71.5 | -39.6 | 176.9 | -178.5 | 0 | 0 | 0 | 0 | 110 | Q353 A354 T357 T367 L368 R373 C374 | Q353-V370 HydrophobicContact CB-CG1 4.39Å; A354-V370 HydrophobicContact CB-CG1 4.24Å; T357-V370 HydrophobicContact CG2-CG2 4.24Å; T367-V370 WeakPolarHBondContact O-CB 3.34Å; T367-V370 PolarHBondContact O-N 2.86Å; L368-V370 VanDerWaalsContact C-N 3.33Å; L368-V370 PolarHBondContact O-N 3.05Å; V370-R373 PolarHBondContact O-N 3.46Å; V370-C374 PolarHBondContact O-N 2.62Å; V370-C374 PolarHBondContact O-SG 3.04Å |
| 371 | T | 80.9 | Confident | 78.8 | Confident | 4 Ų | 4 | 42.7 Ų | 42.7 | 3% | 0.025 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61 | -45.2 | 175.2 | -50.7 | 0 | 0 | 0 | 0 | 111.6 | T367 L368 R373 C374 L375 L390 V483 | T367-T371 PolarHBondContact O-N 2.96Å; T367-T371 VanDerWaalsContact O-N 3.07Å; T367-T371 PolarHBondContact O-OG1 3.31Å; L368-T371 WeakPolarHBondContact O-CB 3.28Å; L368-T371 PolarHBondContact O-N 3.19Å; T371-R373 PolarHBondContact O-N 3.31Å; T371-C374 PolarHBondContact O-N 3.4Å; T371-L375 HydrophobicContact CG2-CD1 3.78Å; T371-L375 WeakPolarHBondContact O-CG 3.5Å; T371-L375 PolarHBondContact O-N 3.2Å; T371-L390 HydrophobicContact CG2-CD1 4.19Å; T371-L390 HydrophobicContact CG2-CD2 4.04Å; T371-V483 HydrophobicContact CG2-CG1 4.35Å |
| 372 | F | 75.1 | Confident | 79.8 | Confident | 44 Ų | 44 | 41.6 Ų | 41.6 | 19% | 0.193 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -53.1 | -53.6 | 172.9 | -86.9 | -62.8 | 0 | 0 | 0 | 111.7 | L368 C374 L375 E376 T386 R387 L390 P391 | L368-F372 HydrophobicContact CD1-CD2 4.4Å; L368-F372 HydrophobicContact CD1-CE2 4Å; L368-F372 HydrophobicContact CD2-CE2 3.94Å; L368-F372 HydrophobicContact CG-CD2 3.93Å; L368-F372 HydrophobicContact CG-CE2 3.57Å; L368-F372 WeakPolarHBondContact O-CD2 3.09Å; L368-F372 PolarHBondContact O-N 3.46Å; F372-C374 VanDerWaalsContact C-N 3.34Å; F372-C374 PolarHBondContact O-N 3.36Å; F372-L375 PolarHBondContact O-N 3.28Å; F372-E376 WeakPolarHBondContact O-CB 3.25Å; F372-E376 WeakPolarHBondContact O-CG 3.19Å; F372-E376 PolarHBondContact O-N 3.42Å; F372-T386 WeakPolarHBondContact CE1-O 3.14Å; F372-R387 HydrophobicContact CE1-CB 4.38Å; F372-R387 HydrophobicContact CE1-CG 3.9Å; F372-R387 HydrophobicContact CZ-CG 4.48Å; F372-L390 HydrophobicContact CD1-CD1 3.75Å; F372-L390 HydrophobicContact CE1-CD1 3.81Å; F372-L390 HydrophobicContact CG-CD1 4.23Å; F372-L390 HydrophobicContact CZ-CB 4.39Å; F372-L390 HydrophobicContact CZ-CD1 4.35Å; F372-P391 HydrophobicContact CZ-CG 4.04Å |
| 373 | R | 74 | Confident | 79.8 | Confident | 131 Ų | 131 | 46.7 Ų | 46.7 | 49% | 0.494 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -59.4 | -44.6 | -179 | -162.5 | -176.4 | 73.7 | 173 | 4.1 | 112 | P369 V370 T371 L375 E377 | P369-R373 PolarHBondContact O-N 3.06Å; V370-R373 PolarHBondContact O-N 3.46Å; T371-R373 PolarHBondContact O-N 3.31Å; R373-L375 VanDerWaalsContact C-N 3.35Å; R373-L375 PolarHBondContact O-N 3.32Å; R373-E377 WeakPolarHBondContact CD-OE2 3.34Å; R373-E377 HydrophobicContact CG-CB 4.47Å; R373-E377 HydrophobicContact CG-CG 4Å; R373-E377 WeakPolarHBondContact CG-OE1 3.29Å; R373-E377 WeakPolarHBondContact CG-OE2 3.14Å; R373-E377 VanDerWaalsContact O-CB 3.25Å; R373-E377 WeakPolarHBondContact O-CB 3.45Å; R373-E377 PolarHBondContact O-N 2.84Å |
| 374 | C | 82.9 | Confident | 79.8 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | I | π-helix | trans | -63.3 | -40.7 | -180 | -65.1 | 0 | 0 | 0 | 0 | 112.3 | G350 I351 V370 T371 F372 N378 L379 | G350-C374 WeakPolarHBondContact O-CB 3.45Å; I351-C374 HydrophobicContact CG2-CB 4.3Å; V370-C374 PolarHBondContact O-N 2.62Å; V370-C374 PolarHBondContact O-SG 3.04Å; T371-C374 PolarHBondContact O-N 3.4Å; F372-C374 VanDerWaalsContact C-N 3.34Å; F372-C374 PolarHBondContact O-N 3.36Å; C374-N378 VanDerWaalsContact O-CB 3.23Å; C374-N378 WeakPolarHBondContact O-CB 3.03Å; C374-N378 PolarHBondContact O-N 3.19Å; C374-L379 PolarHBondContact O-N 2.89Å |
| 375 | L | 89.8 | Confident | 79.9 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | I | π-helix | trans | -76.2 | -39.9 | -178.6 | -69.7 | 165.5 | 0 | 0 | 0 | 112.4 | F347 I351 T371 F372 R373 L379 A380 I381 T386 L390 A490 | F347-L375 HydrophobicContact CE1-CD2 4.23Å; F347-L375 HydrophobicContact CE2-CD2 4.49Å; F347-L375 HydrophobicContact CZ-CD2 3.67Å; I351-L375 HydrophobicContact CG2-CD2 3.73Å; I351-L375 HydrophobicContact CG2-CG 4.2Å; T371-L375 HydrophobicContact CG2-CD1 3.78Å; T371-L375 WeakPolarHBondContact O-CG 3.5Å; T371-L375 PolarHBondContact O-N 3.2Å; F372-L375 PolarHBondContact O-N 3.28Å; R373-L375 VanDerWaalsContact C-N 3.35Å; R373-L375 PolarHBondContact O-N 3.32Å; L375-L379 HydrophobicContact CD2-CD1 3.83Å; L375-L379 CarbonylContact O-C 3.57Å; L375-A380 PolarHBondContact O-N 3.47Å; L375-I381 HydrophobicContact CB-CD1 4.12Å; L375-I381 HydrophobicContact CD2-CD1 3.47Å; L375-I381 VanDerWaalsContact CD2-CD1 3.47Å; L375-I381 HydrophobicContact CG-CD1 4.33Å; L375-I381 WeakPolarHBondContact O-CB 3.42Å; L375-I381 PolarHBondContact O-N 3.11Å; L375-T386 HydrophobicContact CB-CG2 3.95Å; L375-L390 HydrophobicContact CD1-CD1 3.54Å; L375-L390 HydrophobicContact CD1-CD2 3.56Å; L375-L390 HydrophobicContact CD1-CG 4.07Å; L375-A490 HydrophobicContact CD1-CB 4.21Å |
| 376 | E | 87.3 | Confident | 80.3 | Confident | 38 Ų | 38 | 48.7 Ų | 48.7 | 18% | 0.178 | 26% | 0.258 | C | S | . | . | I | π-helix | trans | -79.4 | -42.6 | -178.1 | -65.7 | -178.6 | -171 | 0 | 0 | 112.6 | F372 A380 K383 T386 | F372-E376 WeakPolarHBondContact O-CB 3.25Å; F372-E376 WeakPolarHBondContact O-CG 3.19Å; F372-E376 PolarHBondContact O-N 3.42Å; E376-A380 WeakPolarHBondContact O-CA 3.41Å; E376-A380 PolarHBondContact O-N 2.67Å; E376-K383 HydrophobicContact CG-CG 4.14Å; E376-K383 WeakPolarHBondContact OE2-CD 3.37Å; E376-K383 VanDerWaalsContact OE2-CE 3.23Å; E376-K383 WeakPolarHBondContact OE2-CE 3.39Å; E376-K383 IonicContact OE2-NZ 3.03Å; E376-T386 HydrophobicContact CG-CG2 3.97Å; E376-T386 PolarHBondContact OE1-OG1 3.06Å |
| 377 | E | 86.5 | Confident | 80.9 | Confident | 136 Ų | 136 | 54.1 Ų | 54.1 | 64% | 0.636 | 26% | 0.264 | S | S | * | . | I | π-helix | trans | -91.6 | -47 | -174.9 | -59.9 | 179.3 | -177.5 | 0 | 0 | 112.4 | R373 | R373-E377 WeakPolarHBondContact CD-OE2 3.34Å; R373-E377 HydrophobicContact CG-CB 4.47Å; R373-E377 HydrophobicContact CG-CG 4Å; R373-E377 WeakPolarHBondContact CG-OE1 3.29Å; R373-E377 WeakPolarHBondContact CG-OE2 3.14Å; R373-E377 VanDerWaalsContact O-CB 3.25Å; R373-E377 WeakPolarHBondContact O-CB 3.45Å; R373-E377 PolarHBondContact O-N 2.84Å |
| 378 | N | 90 | Very high | 80.8 | Confident | 93 Ų | 93 | 55.4 Ų | 55.4 | 50% | 0.497 | 27% | 0.27 | S | S | . | . | I | π-helix | trans | -81.8 | -35.1 | -175.8 | -54.2 | -19.8 | 0 | 0 | 0 | 112.4 | G350 C374 | G350-N378 PolarHBondContact O-ND2 3.01Å; C374-N378 VanDerWaalsContact O-CB 3.23Å; C374-N378 WeakPolarHBondContact O-CB 3.03Å; C374-N378 PolarHBondContact O-N 3.19Å |
| 379 | L | 92.9 | Very high | 81.3 | Confident | 43 Ų | 43 | 53.8 Ų | 53.8 | 23% | 0.225 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -109.5 | -2.3 | -174.4 | -65.9 | 171.1 | 0 | 0 | 0 | 113.8 | F347 I351 C374 L375 I381 | F347-L379 HydrophobicContact CD1-CD1 4.23Å; F347-L379 HydrophobicContact CD2-CD1 3.84Å; F347-L379 HydrophobicContact CD2-CD2 4.2Å; F347-L379 HydrophobicContact CE1-CD1 4.07Å; F347-L379 HydrophobicContact CE2-CD1 3.69Å; F347-L379 HydrophobicContact CG-CD1 4.11Å; F347-L379 HydrophobicContact CZ-CD1 3.8Å; I351-L379 HydrophobicContact CG2-CD1 3.53Å; C374-L379 PolarHBondContact O-N 2.89Å; L375-L379 HydrophobicContact CD2-CD1 3.83Å; L375-L379 CarbonylContact O-C 3.57Å; L379-I381 HydrophobicContact CB-CD1 4.47Å; L379-I381 HydrophobicContact CB-CG1 4.17Å; L379-I381 PolarHBondContact O-N 3.36Å |
| 380 | A | 93.1 | Very high | 82 | Confident | 72 Ų | 72 | 49.5 Ų | 49.5 | 60% | 0.595 | 23% | 0.233 | S | C | * | . | trans | 52.2 | 38.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114 | L375 E376 | L375-A380 PolarHBondContact O-N 3.47Å; E376-A380 WeakPolarHBondContact O-CA 3.41Å; E376-A380 PolarHBondContact O-N 2.67Å | ||
| 381 | I | 91.9 | Very high | 82 | Confident | 8 Ų | 8 | 49.9 Ų | 49.9 | 4% | 0.041 | 24% | 0.236 | C | C | . | . | trans | -77.4 | 138.6 | 174.3 | -57.8 | -176.3 | 0 | 0 | 0 | 109.4 | F347 L375 L379 K383 V385 T386 Y494 | F347-I381 HydrophobicContact CE2-CD1 3.96Å; F347-I381 HydrophobicContact CZ-CD1 4.06Å; L375-I381 HydrophobicContact CB-CD1 4.12Å; L375-I381 HydrophobicContact CD2-CD1 3.47Å; L375-I381 VanDerWaalsContact CD2-CD1 3.47Å; L375-I381 HydrophobicContact CG-CD1 4.33Å; L375-I381 WeakPolarHBondContact O-CB 3.42Å; L375-I381 PolarHBondContact O-N 3.11Å; L379-I381 HydrophobicContact CB-CD1 4.47Å; L379-I381 HydrophobicContact CB-CG1 4.17Å; L379-I381 PolarHBondContact O-N 3.36Å; I381-K383 PolarHBondContact O-N 3.05Å; I381-V385 HydrophobicContact CG2-CB 4.43Å; I381-T386 HydrophobicContact CB-CG2 3.95Å; I381-T386 HydrophobicContact CG2-CG2 3.67Å; I381-Y494 HydrophobicContact CG1-CD1 4.43Å; I381-Y494 HydrophobicContact CG2-CD1 4.17Å; I381-Y494 HydrophobicContact CG2-CD2 4.34Å; I381-Y494 HydrophobicContact CG2-CG 3.85Å | ||
| 382 | D | 86.8 | Confident | 81.8 | Confident | 40 Ų | 40 | 50.3 Ų | 50.3 | 21% | 0.214 | 24% | 0.239 | C | C | . | . | trans | -59.1 | 131.9 | 180 | -170.2 | -64.6 | 0 | 0 | 0 | 112 | R384 V385 T386 Y494 L501 | D382-R384 PolarHBondContact O-N 2.9Å; D382-R384 WeakPolarHBondContact OD1-CA 3.33Å; D382-R384 WeakPolarHBondContact OD1-CB 3.3Å; D382-R384 VanDerWaalsContact OD1-CG 3.3Å; D382-R384 WeakPolarHBondContact OD1-CG 3.27Å; D382-R384 IonicContact OD1-CZ 2.83Å; D382-R384 PolarHBondContact OD1-N 2.95Å; D382-R384 IonicContact OD1-NE 2.68Å; D382-R384 PolarHBondContact OD1-NE 3.35Å; D382-R384 IonicContact OD1-NH2 3.44Å; D382-R384 IonicContact OD2-CZ 2.99Å; D382-R384 IonicContact OD2-NE 2.69Å; D382-R384 PolarHBondContact OD2-NE 3.47Å; D382-R384 IonicContact OD2-NH2 3.19Å; D382-R384 PolarHBondContact OD2-NH2 3.04Å; D382-V385 HydrophobicContact CB-CG2 4.38Å; D382-V385 WeakPolarHBondContact O-CB 3.21Å; D382-V385 PolarHBondContact O-N 3.33Å; D382-T386 PolarHBondContact O-N 3.27Å; D382-T386 VanDerWaalsContact O-N 3.1Å; D382-Y494 HydrophobicContact CB-CD2 3.89Å; D382-Y494 HydrophobicContact CB-CE2 3.63Å; D382-L501 HydrophobicContact CB-CD1 4.31Å | ||
| 383 | K | 74.4 | Confident | 82.2 | Confident | 111 Ų | 111 | 48.2 Ų | 48.2 | 48% | 0.483 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60.4 | -30 | -176.8 | -57.9 | -167 | 176.7 | 178.1 | 0 | 113.1 | E376 I381 V385 T386 R387 | E376-K383 HydrophobicContact CG-CG 4.14Å; E376-K383 WeakPolarHBondContact OE2-CD 3.37Å; E376-K383 VanDerWaalsContact OE2-CE 3.23Å; E376-K383 WeakPolarHBondContact OE2-CE 3.39Å; E376-K383 IonicContact OE2-NZ 3.03Å; I381-K383 PolarHBondContact O-N 3.05Å; K383-V385 VanDerWaalsContact C-N 3.25Å; K383-V385 PolarHBondContact O-N 3.35Å; K383-T386 WeakPolarHBondContact CA-OG1 3.41Å; K383-T386 PolarHBondContact O-OG1 3.37Å; K383-R387 WeakPolarHBondContact O-CB 3.24Å; K383-R387 WeakPolarHBondContact O-CD 3.32Å; K383-R387 WeakPolarHBondContact O-CG 3.15Å; K383-R387 PolarHBondContact O-N 2.91Å |
| 384 | R | 77.3 | Confident | 82.3 | Confident | 90 Ų | 90 | 42.2 Ų | 42.2 | 34% | 0.34 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -63.9 | -35.7 | 176.6 | -61.3 | 171.7 | -75.7 | -169.9 | -5.9 | 110.7 | D382 F388 L501 D505 | D382-R384 PolarHBondContact O-N 2.9Å; D382-R384 WeakPolarHBondContact OD1-CA 3.33Å; D382-R384 WeakPolarHBondContact OD1-CB 3.3Å; D382-R384 VanDerWaalsContact OD1-CG 3.3Å; D382-R384 WeakPolarHBondContact OD1-CG 3.27Å; D382-R384 IonicContact OD1-CZ 2.83Å; D382-R384 PolarHBondContact OD1-N 2.95Å; D382-R384 IonicContact OD1-NE 2.68Å; D382-R384 PolarHBondContact OD1-NE 3.35Å; D382-R384 IonicContact OD1-NH2 3.44Å; D382-R384 IonicContact OD2-CZ 2.99Å; D382-R384 IonicContact OD2-NE 2.69Å; D382-R384 PolarHBondContact OD2-NE 3.47Å; D382-R384 IonicContact OD2-NH2 3.19Å; D382-R384 PolarHBondContact OD2-NH2 3.04Å; R384-F388 WeakPolarHBondContact O-CB 3.25Å; R384-L501 HydrophobicContact CB-CD2 4.49Å; R384-D505 IonicContact CZ-OD1 2.97Å; R384-D505 VanDerWaalsContact CZ-OD1 3.23Å; R384-D505 IonicContact CZ-OD2 3.94Å; R384-D505 IonicContact NH1-OD1 3.92Å; R384-D505 PolarHBondContact NH1-OD1 3.39Å; R384-D505 IonicContact NH1-OD2 3.45Å; R384-D505 IonicContact NH2-OD1 2.75Å; R384-D505 PolarHBondContact NH2-OD1 2.98Å; R384-D505 IonicContact NH2-OD2 3.29Å; R384-D505 PolarHBondContact NH2-OD2 2.84Å |
| 385 | V | 82.9 | Confident | 81.8 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -77.4 | -50.4 | 176.9 | -176.5 | 0 | 0 | 0 | 0 | 110.9 | L123 I381 D382 K383 R387 F388 V389 V493 Y494 L501 | L123-V385 HydrophobicContact CD1-CG1 4.33Å; L123-V385 HydrophobicContact CD1-CG2 4.02Å; I381-V385 HydrophobicContact CG2-CB 4.43Å; D382-V385 HydrophobicContact CB-CG2 4.38Å; D382-V385 WeakPolarHBondContact O-CB 3.21Å; D382-V385 PolarHBondContact O-N 3.33Å; K383-V385 VanDerWaalsContact C-N 3.25Å; K383-V385 PolarHBondContact O-N 3.35Å; V385-R387 VanDerWaalsContact C-N 3.34Å; V385-R387 PolarHBondContact O-N 2.98Å; V385-F388 PolarHBondContact O-N 3.25Å; V385-V389 HydrophobicContact CG1-CB 4.47Å; V385-V389 HydrophobicContact CG1-CG2 3.68Å; V385-V389 WeakPolarHBondContact O-CB 3.35Å; V385-V389 VanDerWaalsContact O-CG2 3.28Å; V385-V389 WeakPolarHBondContact O-CG2 3.17Å; V385-V389 PolarHBondContact O-N 2.95Å; V385-V493 HydrophobicContact CG1-CB 4.32Å; V385-V493 HydrophobicContact CG1-CG1 4.01Å; V385-Y494 HydrophobicContact CG2-CD2 4.08Å; V385-L501 HydrophobicContact CG2-CD1 3.7Å |
| 386 | T | 77.7 | Confident | 81.4 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.7 | -44.9 | -177.7 | 56.4 | 0 | 0 | 0 | 0 | 111.7 | F372 L375 E376 I381 D382 K383 F388 L390 | F372-T386 WeakPolarHBondContact CE1-O 3.14Å; L375-T386 HydrophobicContact CB-CG2 3.95Å; E376-T386 HydrophobicContact CG-CG2 3.97Å; E376-T386 PolarHBondContact OE1-OG1 3.06Å; I381-T386 HydrophobicContact CB-CG2 3.95Å; I381-T386 HydrophobicContact CG2-CG2 3.67Å; D382-T386 PolarHBondContact O-N 3.27Å; D382-T386 VanDerWaalsContact O-N 3.1Å; K383-T386 WeakPolarHBondContact CA-OG1 3.41Å; K383-T386 PolarHBondContact O-OG1 3.37Å; T386-F388 PolarHBondContact O-N 3.41Å; T386-L390 HydrophobicContact CG2-CD1 4.45Å; T386-L390 WeakPolarHBondContact O-CB 3.08Å; T386-L390 WeakPolarHBondContact O-CG 3.29Å; T386-L390 PolarHBondContact O-N 3.49Å; T386-L390 VanDerWaalsContact O-N 3.1Å |
| 387 | R | 73.3 | Confident | 81.4 | Confident | 160 Ų | 160 | 41.3 Ų | 41.3 | 60% | 0.604 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -68.3 | -18.8 | -177.6 | -68.7 | 173.9 | 178 | -170.5 | -5.4 | 113.7 | F372 K383 V385 P391 | F372-R387 HydrophobicContact CE1-CB 4.38Å; F372-R387 HydrophobicContact CE1-CG 3.9Å; F372-R387 HydrophobicContact CZ-CG 4.48Å; K383-R387 WeakPolarHBondContact O-CB 3.24Å; K383-R387 WeakPolarHBondContact O-CD 3.32Å; K383-R387 WeakPolarHBondContact O-CG 3.15Å; K383-R387 PolarHBondContact O-N 2.91Å; V385-R387 VanDerWaalsContact C-N 3.34Å; V385-R387 PolarHBondContact O-N 2.98Å; R387-P391 WeakPolarHBondContact O-CD 3.19Å; R387-P391 WeakPolarHBondContact O-CG 3.44Å |
| 388 | F | 71.9 | Confident | 81.6 | Confident | 27 Ų | 27 | 35 Ų | 35 | 12% | 0.118 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -95.1 | -51.6 | 175.9 | 179.9 | -93.5 | 0 | 0 | 0 | 111.6 | L115 S120 L123 G124 R384 V385 T386 V392 | L115-F388 HydrophobicContact CD2-CD2 4.4Å; L115-F388 HydrophobicContact CD2-CE1 3.93Å; L115-F388 HydrophobicContact CD2-CE2 3.41Å; L115-F388 VanDerWaalsContact CD2-CE2 3.41Å; L115-F388 HydrophobicContact CD2-CZ 3.14Å; L115-F388 HydrophobicContact CG-CZ 4.39Å; S120-F388 WeakPolarHBondContact OG-CE2 3.36Å; S120-F388 WeakPolarHBondContact OG-CZ 3.35Å; L123-F388 HydrophobicContact CB-CE1 4.35Å; L123-F388 HydrophobicContact CD2-CB 4.09Å; L123-F388 HydrophobicContact CD2-CD1 3.63Å; L123-F388 HydrophobicContact CD2-CE1 4.14Å; L123-F388 HydrophobicContact CD2-CG 3.9Å; L123-F388 HydrophobicContact CG-CD1 3.95Å; L123-F388 HydrophobicContact CG-CE1 4.1Å; G124-F388 VanDerWaalsContact CA-CE1 3.47Å; R384-F388 WeakPolarHBondContact O-CB 3.25Å; V385-F388 PolarHBondContact O-N 3.25Å; T386-F388 PolarHBondContact O-N 3.41Å; F388-V392 WeakPolarHBondContact O-CG2 3.35Å |
| 389 | V | 83.4 | Confident | 81.8 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -72.6 | -42.3 | -169.9 | 177.9 | 0 | 0 | 0 | 0 | 111.8 | A127 Y131 V385 G393 A490 V493 | A127-V389 HydrophobicContact CB-CG2 4.37Å; Y131-V389 WeakPolarHBondContact OH-CG1 3.47Å; Y131-V389 PolarHBondContact OH-O 3.42Å; V385-V389 HydrophobicContact CG1-CB 4.47Å; V385-V389 HydrophobicContact CG1-CG2 3.68Å; V385-V389 WeakPolarHBondContact O-CB 3.35Å; V385-V389 VanDerWaalsContact O-CG2 3.28Å; V385-V389 WeakPolarHBondContact O-CG2 3.17Å; V385-V389 PolarHBondContact O-N 2.95Å; V389-G393 PolarHBondContact O-N 3.21Å; V389-A490 HydrophobicContact CB-CB 4.32Å; V389-A490 HydrophobicContact CG1-CB 4.02Å; V389-V493 HydrophobicContact CG2-CB 4.17Å; V389-V493 HydrophobicContact CG2-CG1 3.8Å; V389-V493 HydrophobicContact CG2-CG2 4.48Å |
| 390 | L | 79.5 | Confident | 81.9 | Confident | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -71.8 | -44.4 | -172.4 | -58 | 169.6 | 0 | 0 | 0 | 114.2 | L368 T371 F372 L375 T386 V392 G393 A394 D486 A490 | L368-L390 HydrophobicContact CD1-CB 3.65Å; T371-L390 HydrophobicContact CG2-CD1 4.19Å; T371-L390 HydrophobicContact CG2-CD2 4.04Å; F372-L390 HydrophobicContact CD1-CD1 3.75Å; F372-L390 HydrophobicContact CE1-CD1 3.81Å; F372-L390 HydrophobicContact CG-CD1 4.23Å; F372-L390 HydrophobicContact CZ-CB 4.39Å; F372-L390 HydrophobicContact CZ-CD1 4.35Å; L375-L390 HydrophobicContact CD1-CD1 3.54Å; L375-L390 HydrophobicContact CD1-CD2 3.56Å; L375-L390 HydrophobicContact CD1-CG 4.07Å; T386-L390 HydrophobicContact CG2-CD1 4.45Å; T386-L390 WeakPolarHBondContact O-CB 3.08Å; T386-L390 WeakPolarHBondContact O-CG 3.29Å; T386-L390 PolarHBondContact O-N 3.49Å; T386-L390 VanDerWaalsContact O-N 3.1Å; L390-V392 VanDerWaalsContact C-N 3.28Å; L390-V392 PolarHBondContact O-N 3.29Å; L390-G393 PolarHBondContact O-N 3.01Å; L390-A394 WeakPolarHBondContact O-CB 3.44Å; L390-A394 PolarHBondContact O-N 3.47Å; L390-D486 HydrophobicContact CD2-CB 4.16Å; L390-A490 HydrophobicContact CD2-CB 4.02Å; L390-A490 HydrophobicContact CG-CB 4.48Å |
| 391 | P | 70.4 | Confident | 81.9 | Confident | 49 Ų | 49 | 25.5 Ų | 25.5 | 32% | 0.318 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -63.5 | -36.7 | 177 | -23.8 | 36.6 | 0 | 0 | 0 | 112.5 | L368 F372 R387 T395 | L368-P391 HydrophobicContact CD2-CG 4.46Å; F372-P391 HydrophobicContact CZ-CG 4.04Å; R387-P391 WeakPolarHBondContact O-CD 3.19Å; R387-P391 WeakPolarHBondContact O-CG 3.44Å; P391-T395 PolarHBondContact O-OG1 2.91Å |
| 392 | V | 77 | Confident | 82 | Confident | 14 Ų | 14 | 25.1 Ų | 25.1 | 9% | 0.085 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -68.1 | -46.4 | 175.8 | 177.9 | 0 | 0 | 0 | 0 | 110.4 | L115 Y131 F388 L390 A394 T395 I396 | L115-V392 HydrophobicContact CD2-CG2 3.91Å; Y131-V392 HydrophobicContact CE2-CG1 4.22Å; F388-V392 WeakPolarHBondContact O-CG2 3.35Å; L390-V392 VanDerWaalsContact C-N 3.28Å; L390-V392 PolarHBondContact O-N 3.29Å; V392-A394 PolarHBondContact O-N 3.33Å; V392-T395 PolarHBondContact O-N 3.33Å; V392-I396 HydrophobicContact CG1-CD1 3.66Å; V392-I396 HydrophobicContact CG1-CG1 4.32Å; V392-I396 WeakPolarHBondContact O-CB 3.43Å; V392-I396 PolarHBondContact O-N 3.47Å |
| 393 | G | 82.1 | Confident | 82.5 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -60.1 | -44.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y131 V389 L390 T395 I396 N397 D486 | Y131-G393 VanDerWaalsContact CZ-CA 3.46Å; Y131-G393 VanDerWaalsContact OH-CA 3.28Å; Y131-G393 WeakPolarHBondContact OH-CA 3.3Å; V389-G393 PolarHBondContact O-N 3.21Å; L390-G393 PolarHBondContact O-N 3.01Å; G393-T395 PolarHBondContact O-N 3.46Å; G393-I396 PolarHBondContact O-N 2.89Å; G393-N397 WeakPolarHBondContact O-CA 3.41Å; G393-N397 WeakPolarHBondContact O-CB 3.46Å; G393-N397 PolarHBondContact O-N 3.42Å; G393-D486 WeakPolarHBondContact CA-OD1 3.39Å |
| 394 | A | 76.4 | Confident | 83.5 | Confident | 5 Ų | 5 | 17.9 Ų | 17.9 | 4% | 0.041 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -55.2 | -28.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113 | L390 V392 M398 S441 D486 | L390-A394 WeakPolarHBondContact O-CB 3.44Å; L390-A394 PolarHBondContact O-N 3.47Å; V392-A394 PolarHBondContact O-N 3.33Å; A394-M398 WeakPolarHBondContact O-CE 3.41Å; A394-S441 VanDerWaalsContact C-OG 3.31Å; A394-S441 VanDerWaalsContact O-CB 3.31Å; A394-S441 WeakPolarHBondContact O-CB 3.44Å; A394-S441 PolarHBondContact O-OG 2.93Å; A394-D486 PolarHBondContact N-OD2 3.49Å |
| 395 | T | 72.6 | Confident | 84.3 | Confident | 14 Ų | 14 | 13.6 Ų | 13.6 | 9% | 0.086 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -95.2 | -45.6 | 177.8 | -48.9 | 0 | 0 | 0 | 0 | 112.3 | L108 P391 V392 G393 | L108-T395 HydrophobicContact CD2-CG2 4.15Å; P391-T395 PolarHBondContact O-OG1 2.91Å; V392-T395 PolarHBondContact O-N 3.33Å; G393-T395 PolarHBondContact O-N 3.46Å |
| 396 | I | 81.3 | Confident | 84.8 | Confident | 5 Ų | 5 | 13.6 Ų | 13.6 | 3% | 0.026 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -90.9 | -40.1 | -169.1 | -61.4 | -176.1 | 0 | 0 | 0 | 112.1 | L112 M128 V392 G393 M398 V437 | L112-I396 HydrophobicContact CD2-CD1 3.92Å; M128-I396 HydrophobicContact CE-CG2 4.43Å; M128-I396 HydrophobicContact SD-CD1 4.44Å; M128-I396 HydrophobicContact SD-CG2 4.21Å; V392-I396 HydrophobicContact CG1-CD1 3.66Å; V392-I396 HydrophobicContact CG1-CG1 4.32Å; V392-I396 WeakPolarHBondContact O-CB 3.43Å; V392-I396 PolarHBondContact O-N 3.47Å; G393-I396 PolarHBondContact O-N 2.89Å; I396-M398 PolarHBondContact O-N 3.04Å; I396-V437 HydrophobicContact CB-CG1 4.45Å; I396-V437 HydrophobicContact CG1-CG1 4.37Å; I396-V437 HydrophobicContact CG2-CG1 4.05Å; I396-V437 HydrophobicContact CG2-CG2 4.15Å |
| 397 | N | 88.5 | Confident | 85.7 | Confident | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 6% | 0.064 | C | C | . | . | trans | -94.2 | 76.3 | -167.6 | -175.2 | 49.6 | 0 | 0 | 0 | 111.8 | Y131 T134 G393 D399 D486 | Y131-N397 HydrophobicContact CD1-CB 3.34Å; Y131-N397 WeakPolarHBondContact CD1-ND2 3.33Å; Y131-N397 WeakPolarHBondContact CD1-OD1 3.11Å; Y131-N397 HydrophobicContact CD2-CB 4.03Å; Y131-N397 HydrophobicContact CE1-CB 3.69Å; Y131-N397 HydrophobicContact CE2-CB 4.32Å; Y131-N397 HydrophobicContact CG-CB 3.52Å; T134-N397 PolarHBondContact OG1-OD1 3.48Å; G393-N397 WeakPolarHBondContact O-CA 3.41Å; G393-N397 WeakPolarHBondContact O-CB 3.46Å; G393-N397 PolarHBondContact O-N 3.42Å; N397-D399 PolarHBondContact OD1-OD1 2.94Å; N397-D486 VanDerWaalsContact CB-OD1 3.28Å; N397-D486 WeakPolarHBondContact CB-OD1 3.4Å; N397-D486 PolarHBondContact ND2-N 3.4Å; N397-D486 PolarHBondContact ND2-OD1 2.91Å | ||
| 398 | M | 90.7 | Very high | 86.6 | Confident | 4 Ų | 4 | 6 Ų | 6 | 2% | 0.02 | 4% | 0.035 | C | C | . | . | trans | -108.3 | 57.8 | -177.1 | -62.1 | -152.5 | 179.9 | 0 | 0 | 113.1 | A394 I396 G400 T401 A402 S436 A439 | A394-M398 WeakPolarHBondContact O-CE 3.41Å; I396-M398 PolarHBondContact O-N 3.04Å; M398-G400 VanDerWaalsContact C-N 3.32Å; M398-G400 PolarHBondContact O-N 3.45Å; M398-T401 WeakPolarHBondContact O-CA 3.43Å; M398-T401 WeakPolarHBondContact O-CB 3.44Å; M398-T401 PolarHBondContact O-N 3.44Å; M398-A402 PolarHBondContact O-N 3.36Å; M398-S436 WeakPolarHBondContact CB-O 3.33Å; M398-S436 WeakPolarHBondContact CG-O 3.39Å; M398-A439 WeakPolarHBondContact CE-O 3.29Å; M398-A439 HydrophobicContact SD-CB 3.58Å; M398-A439 VanDerWaalsContact SD-CB 3.58Å | ||
| 399 | D | 94.6 | Very high | 87.6 | Confident | 0 Ų | 0 | 4.7 Ų | 4.7 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -46 | -50.9 | 179.6 | -69.6 | -10.1 | 0 | 0 | 0 | 113.7 | T134 T135 A138 H327 L332 N397 T401 A402 L403 N482 | T134-D399 VanDerWaalsContact C-OD1 3.32Å; T134-D399 WeakPolarHBondContact CB-OD1 3.26Å; T134-D399 PolarHBondContact OG1-OD1 3.27Å; T135-D399 WeakPolarHBondContact CA-OD1 3.39Å; T135-D399 PolarHBondContact N-OD1 3.44Å; T135-D399 VanDerWaalsContact N-OD1 3.15Å; T135-D399 PolarHBondContact OG1-OD1 3.28Å; A138-D399 HydrophobicContact CB-CB 4.04Å; A138-D399 WeakPolarHBondContact CB-O 3.33Å; H327-D399 IonicContact CD2-OD2 3.99Å; H327-D399 IonicContact CE1-OD2 2.67Å; H327-D399 WeakPolarHBondContact NE2-CB 3.13Å; H327-D399 VanDerWaalsContact NE2-CG 3.29Å; H327-D399 IonicContact NE2-OD2 3.04Å; H327-D399 PolarHBondContact NE2-OD2 3.49Å; L332-D399 WeakPolarHBondContact CD2-OD2 3.21Å; N397-D399 PolarHBondContact OD1-OD1 2.94Å; D399-T401 VanDerWaalsContact C-N 3.29Å; D399-T401 PolarHBondContact O-N 2.93Å; D399-A402 PolarHBondContact O-N 3.3Å; D399-L403 PolarHBondContact O-N 3.41Å; D399-N482 PolarHBondContact N-OD1 2.94Å |
| 400 | G | 94.1 | Very high | 88 | Confident | 0 Ų | 0 | 4.9 Ų | 4.9 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -67.5 | -29.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113 | L324 M398 Y404 R478 N482 | L324-G400 VanDerWaalsContact CD2-CA 3.41Å; M398-G400 VanDerWaalsContact C-N 3.32Å; M398-G400 PolarHBondContact O-N 3.45Å; G400-Y404 VanDerWaalsContact O-CB 3.26Å; G400-Y404 WeakPolarHBondContact O-CB 3.24Å; G400-Y404 PolarHBondContact O-N 3.45Å; G400-Y404 VanDerWaalsContact O-N 3.11Å; G400-R478 WeakPolarHBondContact O-CG 3.44Å; G400-N482 WeakPolarHBondContact CA-OD1 3.16Å; G400-N482 PolarHBondContact N-OD1 3.25Å |
| 401 | T | 92.9 | Very high | 88.6 | Confident | 7 Ų | 7 | 4.9 Ų | 4.9 | 4% | 0.043 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -69.8 | -47.7 | 173.7 | -53.9 | 0 | 0 | 0 | 0 | 110.4 | M398 D399 L403 Y404 E405 A439 N482 | M398-T401 WeakPolarHBondContact O-CA 3.43Å; M398-T401 WeakPolarHBondContact O-CB 3.44Å; M398-T401 PolarHBondContact O-N 3.44Å; D399-T401 VanDerWaalsContact C-N 3.29Å; D399-T401 PolarHBondContact O-N 2.93Å; T401-L403 PolarHBondContact O-N 2.95Å; T401-Y404 PolarHBondContact O-N 2.94Å; T401-E405 HydrophobicContact CG2-CG 4.37Å; T401-E405 WeakPolarHBondContact CG2-OE1 3.45Å; T401-E405 VanDerWaalsContact O-CB 3.24Å; T401-E405 WeakPolarHBondContact O-CB 3.45Å; T401-E405 WeakPolarHBondContact O-CG 3.31Å; T401-E405 PolarHBondContact O-N 3.49Å; T401-A439 HydrophobicContact CG2-CB 3.98Å; T401-N482 PolarHBondContact OG1-ND2 3.18Å |
| 402 | A | 95.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 2.6 Ų | 2.6 | 0% | 0 | 2% | 0.016 | C | C | . | . | H | α-helix | trans | -60.6 | -43.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | T135 A139 M398 D399 E405 A406 | T135-A402 HydrophobicContact CG2-CB 3.56Å; A139-A402 HydrophobicContact CB-CB 4.31Å; M398-A402 PolarHBondContact O-N 3.36Å; D399-A402 PolarHBondContact O-N 3.3Å; A402-E405 PolarHBondContact O-N 3.27Å; A402-A406 WeakPolarHBondContact O-CB 3.32Å; A402-A406 PolarHBondContact O-N 3.28Å |
| 403 | L | 96.9 | Very high | 90 | Very high | 0 Ų | 0 | 2 Ų | 2 | 0% | 0 | 1% | 0.012 | C | C | . | . | H | α-helix | trans | -61.4 | -50.1 | 176.4 | -174.1 | 154 | 0 | 0 | 0 | 111.2 | A138 L141 G323 L324 H327 D399 T401 E405 A406 V407 | A138-L403 HydrophobicContact CB-CB 4.23Å; A138-L403 WeakPolarHBondContact O-CB 3.47Å; L141-L403 HydrophobicContact CD2-CD1 4.01Å; L141-L403 HydrophobicContact CG-CD1 4.32Å; G323-L403 VanDerWaalsContact C-CD1 3.48Å; G323-L403 WeakPolarHBondContact O-CD1 3.49Å; L324-L403 HydrophobicContact CD2-CD2 4.34Å; L324-L403 HydrophobicContact CG-CD2 4.34Å; H327-L403 HydrophobicContact CB-CD1 4.27Å; D399-L403 PolarHBondContact O-N 3.41Å; T401-L403 PolarHBondContact O-N 2.95Å; L403-E405 VanDerWaalsContact C-N 3.31Å; L403-E405 PolarHBondContact O-N 3.4Å; L403-A406 PolarHBondContact O-N 3.46Å; L403-V407 HydrophobicContact CD2-CG2 4.09Å; L403-V407 VanDerWaalsContact O-CG2 3.26Å; L403-V407 WeakPolarHBondContact O-CG2 3.43Å; L403-V407 PolarHBondContact O-N 3.03Å |
| 404 | Y | 95 | Very high | 90.4 | Very high | 0 Ų | 0 | 2.7 Ų | 2.7 | 0% | 0 | 2% | 0.015 | C | C | . | . | H | α-helix | trans | -58 | -45 | 177.5 | 163.4 | -87.7 | 0 | 0 | 0 | 111.7 | Y316 V320 G400 T401 V407 A408 L447 M450 D471 L474 R478 | Y316-Y404 WeakPolarHBondContact OH-CD2 2.88Å; Y316-Y404 WeakPolarHBondContact OH-CE2 3.33Å; V320-Y404 HydrophobicContact CG1-CD2 4.17Å; V320-Y404 HydrophobicContact CG2-CD2 4.38Å; G400-Y404 VanDerWaalsContact O-CB 3.26Å; G400-Y404 WeakPolarHBondContact O-CB 3.24Å; G400-Y404 PolarHBondContact O-N 3.45Å; G400-Y404 VanDerWaalsContact O-N 3.11Å; T401-Y404 PolarHBondContact O-N 2.94Å; Y404-V407 PolarHBondContact O-N 2.67Å; Y404-A408 WeakPolarHBondContact O-CB 3.22Å; Y404-A408 PolarHBondContact O-N 2.86Å; Y404-L447 WeakPolarHBondContact OH-CD2 3.48Å; Y404-M450 HydrophobicContact CD1-CE 3.7Å; Y404-M450 HydrophobicContact CE1-CE 3.16Å; Y404-D471 VanDerWaalsContact CZ-OD1 3.28Å; Y404-D471 PolarHBondContact OH-OD1 3.2Å; Y404-L474 HydrophobicContact CD2-CB 4.44Å; Y404-L474 HydrophobicContact CD2-CD1 4.22Å; Y404-L474 HydrophobicContact CE2-CB 4.36Å; Y404-L474 HydrophobicContact CE2-CD1 3.91Å; Y404-R478 VanDerWaalsContact CB-CD 3.42Å; Y404-R478 VanDerWaalsContact CG-NH1 3.28Å |
| 405 | E | 93.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 2.6 Ų | 2.6 | 0% | 0 | 1% | 0.014 | C | C | . | . | H | α-helix | trans | -62.2 | -45.3 | -178.7 | -87.3 | 177.4 | -174.5 | 0 | 0 | 112.6 | T401 A402 L403 A408 A409 A432 A435 T449 M450 I453 | T401-E405 HydrophobicContact CG2-CG 4.37Å; T401-E405 WeakPolarHBondContact CG2-OE1 3.45Å; T401-E405 VanDerWaalsContact O-CB 3.24Å; T401-E405 WeakPolarHBondContact O-CB 3.45Å; T401-E405 WeakPolarHBondContact O-CG 3.31Å; T401-E405 PolarHBondContact O-N 3.49Å; A402-E405 PolarHBondContact O-N 3.27Å; L403-E405 VanDerWaalsContact C-N 3.31Å; L403-E405 PolarHBondContact O-N 3.4Å; E405-A408 PolarHBondContact O-N 2.82Å; E405-A409 WeakPolarHBondContact O-CB 3.49Å; E405-A409 PolarHBondContact O-N 3.25Å; E405-A432 HydrophobicContact CB-CB 3.95Å; E405-A435 WeakPolarHBondContact OE2-CB 3.43Å; E405-T449 WeakPolarHBondContact OE1-CB 3.41Å; E405-T449 PolarHBondContact OE1-OG1 3.17Å; E405-M450 HydrophobicContact CB-CE 4.3Å; E405-M450 HydrophobicContact CG-CE 3.8Å; E405-M450 HydrophobicContact CG-SD 4.44Å; E405-I453 HydrophobicContact CB-CD1 3.45Å; E405-I453 VanDerWaalsContact CB-CD1 3.45Å; E405-I453 HydrophobicContact CG-CD1 3.74Å; E405-I453 WeakPolarHBondContact OE2-CD1 3.42Å |
| 406 | A | 94.8 | Very high | 91 | Very high | 0 Ų | 0 | 3 Ų | 3 | 0% | 0 | 2% | 0.016 | C | C | . | . | H | α-helix | trans | -62.4 | -45.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | V143 A402 L403 I410 V428 A432 | V143-A406 HydrophobicContact CG2-CB 3.96Å; A402-A406 WeakPolarHBondContact O-CB 3.32Å; A402-A406 PolarHBondContact O-N 3.28Å; L403-A406 PolarHBondContact O-N 3.46Å; A406-I410 WeakPolarHBondContact O-CG1 3.3Å; A406-I410 PolarHBondContact O-N 2.83Å; A406-V428 HydrophobicContact CB-CG1 4.37Å; A406-A432 HydrophobicContact CB-CB 4.22Å |
| 407 | V | 95.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 4.5 Ų | 4.5 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -63.6 | -45 | 178.8 | 174.1 | 0 | 0 | 0 | 0 | 111 | G142 V146 Y316 T319 V320 L403 Y404 F411 | G142-V407 WeakPolarHBondContact O-CG2 3.47Å; V146-V407 HydrophobicContact CB-CB 4.4Å; V146-V407 HydrophobicContact CB-CG1 4.06Å; V146-V407 HydrophobicContact CB-CG2 4.3Å; V146-V407 HydrophobicContact CG2-CG1 4.02Å; Y316-V407 HydrophobicContact CD2-CG1 3.99Å; Y316-V407 HydrophobicContact CE2-CG1 3.86Å; T319-V407 HydrophobicContact CG2-CG1 3.8Å; T319-V407 HydrophobicContact CG2-CG2 4.47Å; V320-V407 HydrophobicContact CG2-CB 4.09Å; V320-V407 HydrophobicContact CG2-CG1 3.65Å; L403-V407 HydrophobicContact CD2-CG2 4.09Å; L403-V407 VanDerWaalsContact O-CG2 3.26Å; L403-V407 WeakPolarHBondContact O-CG2 3.43Å; L403-V407 PolarHBondContact O-N 3.03Å; Y404-V407 PolarHBondContact O-N 2.67Å; V407-F411 WeakPolarHBondContact O-CB 3.14Å; V407-F411 PolarHBondContact O-N 2.63Å |
| 408 | A | 92.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 7.2 Ų | 7.2 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -65.3 | -44.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y316 Y404 E405 I410 F411 I412 M450 L467 | Y316-A408 HydrophobicContact CE2-CB 4.06Å; Y404-A408 WeakPolarHBondContact O-CB 3.22Å; Y404-A408 PolarHBondContact O-N 2.86Å; E405-A408 PolarHBondContact O-N 2.82Å; A408-I410 PolarHBondContact O-N 3.39Å; A408-F411 PolarHBondContact O-N 3.05Å; A408-I412 WeakPolarHBondContact O-CG1 3.32Å; A408-I412 PolarHBondContact O-N 3.13Å; A408-M450 HydrophobicContact CB-CE 3.24Å; A408-M450 HydrophobicContact CB-SD 3.58Å; A408-M450 VanDerWaalsContact CB-SD 3.58Å; A408-L467 HydrophobicContact CB-CD1 3.71Å |
| 409 | A | 91.6 | Very high | 90 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -61.9 | -45 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | E405 I412 A413 V428 I453 L454 L459 | E405-A409 WeakPolarHBondContact O-CB 3.49Å; E405-A409 PolarHBondContact O-N 3.25Å; A409-I412 PolarHBondContact O-N 3.37Å; A409-A413 PolarHBondContact O-N 3.24Å; A409-V428 HydrophobicContact CB-CG1 3.83Å; A409-V428 HydrophobicContact CB-CG2 4.38Å; A409-I453 HydrophobicContact CB-CG2 3.61Å; A409-L454 HydrophobicContact CB-CD2 4.11Å; A409-L459 WeakPolarHBondContact O-CD1 3.39Å |
| 410 | I | 92.9 | Very high | 89.4 | Confident | 3 Ų | 3 | 15.5 Ų | 15.5 | 2% | 0.015 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -70.7 | -37.8 | 177.7 | -61.7 | 171.8 | 0 | 0 | 0 | 111 | V143 V146 L147 A406 A408 I412 A413 Q414 L420 V428 | V143-I410 HydrophobicContact CB-CD1 4.17Å; V143-I410 HydrophobicContact CG1-CD1 3.97Å; V143-I410 HydrophobicContact CG2-CD1 3.87Å; V146-I410 HydrophobicContact CG1-CB 3.65Å; V146-I410 HydrophobicContact CG1-CD1 3.57Å; V146-I410 HydrophobicContact CG1-CG1 4.17Å; V146-I410 HydrophobicContact CG1-CG2 3.68Å; V146-I410 HydrophobicContact CG2-CB 4.14Å; V146-I410 HydrophobicContact CG2-CG2 4.02Å; L147-I410 HydrophobicContact CD2-CG2 4.13Å; A406-I410 WeakPolarHBondContact O-CG1 3.3Å; A406-I410 PolarHBondContact O-N 2.83Å; A408-I410 PolarHBondContact O-N 3.39Å; I410-I412 VanDerWaalsContact C-N 3.33Å; I410-I412 PolarHBondContact O-N 3.26Å; I410-A413 WeakPolarHBondContact O-CB 3.14Å; I410-A413 PolarHBondContact O-N 3.2Å; I410-Q414 HydrophobicContact CG2-CG 4.24Å; I410-Q414 WeakPolarHBondContact O-CB 3.44Å; I410-Q414 VanDerWaalsContact O-CG 3.29Å; I410-Q414 WeakPolarHBondContact O-CG 3.35Å; I410-Q414 PolarHBondContact O-N 3.33Å; I410-L420 HydrophobicContact CB-CD1 4.42Å; I410-L420 HydrophobicContact CG1-CD1 3.9Å; I410-L420 HydrophobicContact CG2-CD1 4.48Å; I410-V428 HydrophobicContact CG1-CG1 4.27Å |
| 411 | F | 92.4 | Very high | 88.9 | Confident | 2 Ų | 2 | 18.4 Ų | 18.4 | 1% | 0.009 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -58.5 | -44.7 | 173.4 | 167.3 | -107 | 0 | 0 | 0 | 111.7 | V146 P151 Q312 L313 Y316 V407 A408 Q414 M415 L467 | V146-F411 HydrophobicContact CG2-CB 4.49Å; P151-F411 HydrophobicContact CB-CD2 4.07Å; P151-F411 HydrophobicContact CB-CE2 4.43Å; P151-F411 HydrophobicContact CG-CD2 3.95Å; Q312-F411 HydrophobicContact CB-CE2 4.37Å; Q312-F411 HydrophobicContact CB-CZ 4.38Å; L313-F411 HydrophobicContact CD2-CE1 4.35Å; L313-F411 HydrophobicContact CD2-CZ 4.4Å; Y316-F411 HydrophobicContact CD2-CB 3.92Å; Y316-F411 AromaticContact CD2-CD1 3.83Å; Y316-F411 HydrophobicContact CD2-CD1 3.83Å; Y316-F411 HydrophobicContact CD2-CD2 4.29Å; Y316-F411 HydrophobicContact CD2-CE1 4.45Å; Y316-F411 AromaticContact CD2-CG 3.73Å; Y316-F411 HydrophobicContact CD2-CG 3.73Å; Y316-F411 HydrophobicContact CE2-CB 4.38Å; Y316-F411 HydrophobicContact CE2-CD1 4.33Å; Y316-F411 HydrophobicContact CE2-CG 4.46Å; Y316-F411 HydrophobicContact CG-CD1 4.11Å; Y316-F411 HydrophobicContact CG-CD2 4.49Å; Y316-F411 HydrophobicContact CG-CE1 4.27Å; Y316-F411 HydrophobicContact CG-CG 4.22Å; V407-F411 WeakPolarHBondContact O-CB 3.14Å; V407-F411 PolarHBondContact O-N 2.63Å; A408-F411 PolarHBondContact O-N 3.05Å; F411-Q414 PolarHBondContact O-N 3.3Å; F411-M415 WeakPolarHBondContact O-CB 3.42Å; F411-M415 PolarHBondContact O-N 3.14Å; F411-L467 HydrophobicContact CD1-CD2 4.06Å; F411-L467 HydrophobicContact CE1-CD2 4Å |
| 412 | I | 88.5 | Confident | 88.5 | Confident | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.3 | -43.6 | 175.2 | -72 | 171.6 | 0 | 0 | 0 | 110.2 | A408 A409 I410 Q414 M415 N416 L454 D463 L467 | A408-I412 WeakPolarHBondContact O-CG1 3.32Å; A408-I412 PolarHBondContact O-N 3.13Å; A409-I412 PolarHBondContact O-N 3.37Å; I410-I412 VanDerWaalsContact C-N 3.33Å; I410-I412 PolarHBondContact O-N 3.26Å; I412-Q414 PolarHBondContact O-N 3.26Å; I412-M415 PolarHBondContact O-N 2.85Å; I412-N416 WeakPolarHBondContact CG2-ND2 3.22Å; I412-N416 WeakPolarHBondContact O-CB 3.33Å; I412-N416 PolarHBondContact O-N 2.96Å; I412-N416 PolarHBondContact O-ND2 3.12Å; I412-L454 HydrophobicContact CB-CD2 4.26Å; I412-L454 HydrophobicContact CD1-CD1 3.69Å; I412-L454 HydrophobicContact CD1-CD2 4.02Å; I412-L454 HydrophobicContact CD1-CG 4.46Å; I412-L454 HydrophobicContact CG2-CD2 4.16Å; I412-D463 HydrophobicContact CD1-CB 4.31Å; I412-D463 HydrophobicContact CG1-CB 4.28Å; I412-D463 HydrophobicContact CG2-CB 3.98Å; I412-L467 HydrophobicContact CD1-CD1 3.92Å |
| 413 | A | 88.3 | Confident | 87.7 | Confident | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.008 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58.5 | -48.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A409 I410 M415 N416 G417 V418 L420 L459 | A409-A413 PolarHBondContact O-N 3.24Å; I410-A413 WeakPolarHBondContact O-CB 3.14Å; I410-A413 PolarHBondContact O-N 3.2Å; A413-M415 PolarHBondContact O-N 3.28Å; A413-N416 CarbonylContact O-C 3.5Å; A413-N416 PolarHBondContact O-N 3.3Å; A413-N416 VanDerWaalsContact O-N 3.11Å; A413-G417 PolarHBondContact O-N 3.22Å; A413-G417 VanDerWaalsContact O-N 3.13Å; A413-V418 CarbonylContact C-O 3.54Å; A413-V418 HydrophobicContact CB-CB 4.4Å; A413-V418 PolarHBondContact O-N 3.37Å; A413-L420 HydrophobicContact CB-CD1 3.66Å; A413-L420 HydrophobicContact CB-CD2 3.98Å; A413-L420 HydrophobicContact CB-CG 3.67Å; A413-L459 HydrophobicContact CB-CD1 3.82Å; A413-L459 HydrophobicContact CB-CD2 3.83Å |
| 414 | Q | 89.4 | Confident | 86.9 | Confident | 14 Ų | 14 | 25.8 Ų | 25.8 | 7% | 0.065 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.3 | -43.1 | 177.6 | -71.8 | 173.3 | -8.3 | 0 | 0 | 112.1 | V146 P154 I410 F411 I412 N416 G417 | V146-Q414 PolarHBondContact O-NE2 3.07Å; V146-Q414 VanDerWaalsContact O-NE2 3.1Å; P154-Q414 WeakPolarHBondContact CG-O 3.31Å; I410-Q414 HydrophobicContact CG2-CG 4.24Å; I410-Q414 WeakPolarHBondContact O-CB 3.44Å; I410-Q414 VanDerWaalsContact O-CG 3.29Å; I410-Q414 WeakPolarHBondContact O-CG 3.35Å; I410-Q414 PolarHBondContact O-N 3.33Å; F411-Q414 PolarHBondContact O-N 3.3Å; I412-Q414 PolarHBondContact O-N 3.26Å; Q414-N416 VanDerWaalsContact C-N 3.26Å; Q414-N416 PolarHBondContact O-N 3.47Å; Q414-G417 PolarHBondContact O-N 3.23Å; Q414-G417 VanDerWaalsContact O-N 3.15Å |
| 415 | M | 83.2 | Confident | 86.5 | Confident | 4 Ų | 4 | 27.3 Ų | 27.3 | 2% | 0.02 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.9 | -35 | 176.4 | -174.7 | -170.8 | 70.6 | 0 | 0 | 111.7 | L160 F411 I412 A413 G417 D463 L466 | L160-M415 HydrophobicContact CD1-SD 4.35Å; F411-M415 WeakPolarHBondContact O-CB 3.42Å; F411-M415 PolarHBondContact O-N 3.14Å; I412-M415 PolarHBondContact O-N 2.85Å; A413-M415 PolarHBondContact O-N 3.28Å; M415-G417 VanDerWaalsContact C-N 3.28Å; M415-G417 PolarHBondContact O-N 3.43Å; M415-D463 HydrophobicContact CE-CB 3.77Å; M415-D463 VanDerWaalsContact CE-CG 3.43Å; M415-L466 HydrophobicContact CE-CD1 3.81Å; M415-L466 HydrophobicContact SD-CD1 3.71Å |
| 416 | N | 79.6 | Confident | 86.2 | Confident | 23 Ų | 23 | 32 Ų | 32 | 12% | 0.123 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -3.5 | 177 | -78.7 | -78.2 | 0 | 0 | 0 | 114.2 | K157 I412 A413 Q414 V418 D463 | K157-N416 WeakPolarHBondContact CE-OD1 3.33Å; K157-N416 PolarHBondContact NZ-OD1 3.32Å; I412-N416 WeakPolarHBondContact CG2-ND2 3.22Å; I412-N416 WeakPolarHBondContact O-CB 3.33Å; I412-N416 PolarHBondContact O-N 2.96Å; I412-N416 PolarHBondContact O-ND2 3.12Å; A413-N416 CarbonylContact O-C 3.5Å; A413-N416 PolarHBondContact O-N 3.3Å; A413-N416 VanDerWaalsContact O-N 3.11Å; Q414-N416 VanDerWaalsContact C-N 3.26Å; Q414-N416 PolarHBondContact O-N 3.47Å; N416-V418 HydrophobicContact CB-CG2 3.91Å; N416-V418 PolarHBondContact O-N 3.08Å; N416-D463 PolarHBondContact ND2-OD2 3.08Å; N416-D463 PolarHBondContact OD1-OD2 3.27Å |
| 417 | G | 78.5 | Confident | 85.6 | Confident | 36 Ų | 36 | 32.3 Ų | 32.3 | 37% | 0.371 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.9 | 19.2 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | A413 Q414 M415 | A413-G417 PolarHBondContact O-N 3.22Å; A413-G417 VanDerWaalsContact O-N 3.13Å; Q414-G417 PolarHBondContact O-N 3.23Å; Q414-G417 VanDerWaalsContact O-N 3.15Å; M415-G417 VanDerWaalsContact C-N 3.28Å; M415-G417 PolarHBondContact O-N 3.43Å |
| 418 | V | 81.3 | Confident | 85.2 | Confident | 57 Ų | 57 | 32.3 Ų | 32.3 | 35% | 0.345 | 20% | 0.199 | S | C | . | . | trans | -86 | 112.3 | 174.8 | 178.9 | 0 | 0 | 0 | 0 | 107.7 | A413 N416 L420 L459 | A413-V418 CarbonylContact C-O 3.54Å; A413-V418 HydrophobicContact CB-CB 4.4Å; A413-V418 PolarHBondContact O-N 3.37Å; N416-V418 HydrophobicContact CB-CG2 3.91Å; N416-V418 PolarHBondContact O-N 3.08Å; V418-L420 HydrophobicContact CG1-CD2 4.31Å; V418-L420 PolarHBondContact O-N 3.31Å; V418-L459 HydrophobicContact CB-CD2 4.11Å; V418-L459 HydrophobicContact CG1-CD2 3.99Å; V418-L459 HydrophobicContact CG2-CD2 4.27Å | ||
| 419 | N | 79.4 | Confident | 85.1 | Confident | 149 Ų | 149 | 33.1 Ų | 33.1 | 80% | 0.797 | 20% | 0.204 | S | C | * | . | trans | -79.1 | 112.1 | 172.3 | -68.3 | -30.2 | 0 | 0 | 0 | 108.5 | ||||
| 420 | L | 81.1 | Confident | 84.8 | Confident | 29 Ų | 29 | 36.9 Ų | 36.9 | 15% | 0.152 | 22% | 0.224 | C | C | . | . | trans | -75.1 | 131.1 | 175.7 | -62.6 | 174.8 | 0 | 0 | 0 | 109.9 | I410 A413 V418 Q424 I425 V428 | I410-L420 HydrophobicContact CB-CD1 4.42Å; I410-L420 HydrophobicContact CG1-CD1 3.9Å; I410-L420 HydrophobicContact CG2-CD1 4.48Å; A413-L420 HydrophobicContact CB-CD1 3.66Å; A413-L420 HydrophobicContact CB-CD2 3.98Å; A413-L420 HydrophobicContact CB-CG 3.67Å; V418-L420 HydrophobicContact CG1-CD2 4.31Å; V418-L420 PolarHBondContact O-N 3.31Å; L420-Q424 HydrophobicContact CB-CB 4.21Å; L420-Q424 HydrophobicContact CD2-CB 4.11Å; L420-I425 HydrophobicContact CB-CD1 4.49Å; L420-I425 HydrophobicContact CB-CG1 3.92Å; L420-V428 HydrophobicContact CD1-CG2 4.44Å | ||
| 421 | D | 83.9 | Confident | 84.3 | Confident | 61 Ų | 61 | 36.8 Ų | 36.8 | 33% | 0.326 | 22% | 0.224 | S | C | . | . | trans | -74 | 164 | 171.1 | 81.8 | 23.9 | 0 | 0 | 0 | 111.5 | S171 G423 Q424 I425 | S171-D421 VanDerWaalsContact CB-OD2 3.28Å; S171-D421 WeakPolarHBondContact CB-OD2 3.44Å; S171-D421 PolarHBondContact OG-OD1 3.14Å; S171-D421 PolarHBondContact OG-OD2 2.96Å; D421-G423 PolarHBondContact O-N 2.71Å; D421-G423 VanDerWaalsContact OD1-CA 3.25Å; D421-G423 WeakPolarHBondContact OD1-CA 3.28Å; D421-G423 PolarHBondContact OD1-N 3.37Å; D421-Q424 PolarHBondContact O-N 3.14Å; D421-Q424 VanDerWaalsContact O-N 3.15Å; D421-Q424 WeakPolarHBondContact OD1-CG 3.46Å; D421-Q424 PolarHBondContact OD1-N 3.1Å; D421-I425 WeakPolarHBondContact O-CG1 3.3Å; D421-I425 PolarHBondContact O-N 2.92Å | ||
| 422 | P | 83.9 | Confident | 84.2 | Confident | 106 Ų | 106 | 36.7 Ų | 36.7 | 69% | 0.688 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -57.1 | -31.6 | 179.5 | -27.1 | 36.1 | 0 | 0 | 0 | 114.2 | I425 V426 | P422-I425 PolarHBondContact O-N 2.48Å; P422-V426 WeakPolarHBondContact O-CG2 3.32Å; P422-V426 PolarHBondContact O-N 3.41Å; P422-V426 VanDerWaalsContact O-N 3.07Å |
| 423 | G | 78.6 | Confident | 84.2 | Confident | 34 Ų | 34 | 36.9 Ų | 36.9 | 35% | 0.351 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -71.6 | -39.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | D421 V426 T427 | D421-G423 PolarHBondContact O-N 2.71Å; D421-G423 VanDerWaalsContact OD1-CA 3.25Å; D421-G423 WeakPolarHBondContact OD1-CA 3.28Å; D421-G423 PolarHBondContact OD1-N 3.37Å; G423-V426 PolarHBondContact O-N 3.13Å; G423-T427 WeakPolarHBondContact O-CB 3.49Å; G423-T427 PolarHBondContact O-N 3.48Å; G423-T427 PolarHBondContact O-OG1 3.41Å |
| 424 | Q | 80 | Confident | 83.9 | Confident | 21 Ų | 21 | 39.3 Ų | 39.3 | 10% | 0.098 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.3 | -40 | 172.6 | -69.1 | 173.3 | -43.4 | 0 | 0 | 110.6 | S171 L420 D421 T427 V428 | S171-Q424 VanDerWaalsContact OG-CG 3.27Å; S171-Q424 WeakPolarHBondContact OG-CG 3.4Å; L420-Q424 HydrophobicContact CB-CB 4.21Å; L420-Q424 HydrophobicContact CD2-CB 4.11Å; D421-Q424 PolarHBondContact O-N 3.14Å; D421-Q424 VanDerWaalsContact O-N 3.15Å; D421-Q424 WeakPolarHBondContact OD1-CG 3.46Å; D421-Q424 PolarHBondContact OD1-N 3.1Å; Q424-T427 CarbonylContact O-C 3.17Å; Q424-T427 WeakPolarHBondContact O-CA 3.27Å; Q424-T427 WeakPolarHBondContact O-CB 3.44Å; Q424-T427 PolarHBondContact O-N 3.21Å; Q424-T427 VanDerWaalsContact O-N 3.17Å; Q424-V428 WeakPolarHBondContact O-CG2 3.37Å; Q424-V428 PolarHBondContact O-N 2.87Å |
| 425 | I | 88.1 | Confident | 83.4 | Confident | 33 Ų | 33 | 38.6 Ų | 38.6 | 17% | 0.169 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.7 | -45.8 | 175.7 | -67.9 | 167.8 | 0 | 0 | 0 | 111.2 | V143 L147 L420 D421 P422 T427 V428 S429 | V143-I425 HydrophobicContact CG1-CG2 3.39Å; L147-I425 HydrophobicContact CD1-CD1 4.17Å; L147-I425 HydrophobicContact CD2-CD1 4.34Å; L420-I425 HydrophobicContact CB-CD1 4.49Å; L420-I425 HydrophobicContact CB-CG1 3.92Å; D421-I425 WeakPolarHBondContact O-CG1 3.3Å; D421-I425 PolarHBondContact O-N 2.92Å; P422-I425 PolarHBondContact O-N 2.48Å; I425-T427 VanDerWaalsContact C-N 3.28Å; I425-T427 PolarHBondContact O-N 3.35Å; I425-V428 PolarHBondContact O-N 3.33Å; I425-S429 PolarHBondContact O-N 3.15Å |
| 426 | V | 85.9 | Confident | 83.5 | Confident | 98 Ų | 98 | 38.4 Ų | 38.4 | 59% | 0.594 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -61.5 | -40.7 | 174.1 | 170.9 | 0 | 0 | 0 | 0 | 110.8 | P422 G423 S429 L430 | P422-V426 WeakPolarHBondContact O-CG2 3.32Å; P422-V426 PolarHBondContact O-N 3.41Å; P422-V426 VanDerWaalsContact O-N 3.07Å; G423-V426 PolarHBondContact O-N 3.13Å; V426-S429 PolarHBondContact O-N 3.47Å; V426-L430 WeakPolarHBondContact O-CB 3.47Å; V426-L430 PolarHBondContact O-N 3.41Å |
| 427 | T | 82 | Confident | 83.5 | Confident | 7 Ų | 7 | 37.7 Ų | 37.7 | 4% | 0.043 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.6 | -45.2 | 175.7 | -57.2 | 0 | 0 | 0 | 0 | 111.3 | G423 Q424 I425 S429 L430 T431 V457 | G423-T427 WeakPolarHBondContact O-CB 3.49Å; G423-T427 PolarHBondContact O-N 3.48Å; G423-T427 PolarHBondContact O-OG1 3.41Å; Q424-T427 CarbonylContact O-C 3.17Å; Q424-T427 WeakPolarHBondContact O-CA 3.27Å; Q424-T427 WeakPolarHBondContact O-CB 3.44Å; Q424-T427 PolarHBondContact O-N 3.21Å; Q424-T427 VanDerWaalsContact O-N 3.17Å; I425-T427 VanDerWaalsContact C-N 3.28Å; I425-T427 PolarHBondContact O-N 3.35Å; T427-S429 VanDerWaalsContact C-N 3.34Å; T427-S429 PolarHBondContact O-N 3.07Å; T427-L430 PolarHBondContact O-N 2.72Å; T427-T431 HydrophobicContact CG2-CG2 4.1Å; T427-T431 VanDerWaalsContact O-CB 3.28Å; T427-T431 WeakPolarHBondContact O-CB 3.49Å; T427-T431 VanDerWaalsContact O-CG2 3.22Å; T427-T431 WeakPolarHBondContact O-CG2 3.27Å; T427-T431 PolarHBondContact O-N 3.11Å; T427-T431 PolarHBondContact O-OG1 3.44Å; T427-V457 HydrophobicContact CG2-CG1 4.06Å |
| 428 | V | 88.1 | Confident | 82.8 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -56.7 | -47.8 | 173.6 | 172.5 | 0 | 0 | 0 | 0 | 110.5 | A406 A409 I410 L420 Q424 I425 L430 T431 A432 I453 V457 | A406-V428 HydrophobicContact CB-CG1 4.37Å; A409-V428 HydrophobicContact CB-CG1 3.83Å; A409-V428 HydrophobicContact CB-CG2 4.38Å; I410-V428 HydrophobicContact CG1-CG1 4.27Å; L420-V428 HydrophobicContact CD1-CG2 4.44Å; Q424-V428 WeakPolarHBondContact O-CG2 3.37Å; Q424-V428 PolarHBondContact O-N 2.87Å; I425-V428 PolarHBondContact O-N 3.33Å; V428-L430 PolarHBondContact O-N 2.99Å; V428-T431 WeakPolarHBondContact CA-OG1 3.15Å; V428-T431 PolarHBondContact O-N 3.44Å; V428-T431 PolarHBondContact O-OG1 3.12Å; V428-T431 VanDerWaalsContact O-OG1 3.06Å; V428-A432 WeakPolarHBondContact O-CB 3.38Å; V428-A432 PolarHBondContact O-N 3.39Å; V428-I453 HydrophobicContact CG1-CG2 4.17Å; V428-V457 HydrophobicContact CG2-CB 4.44Å; V428-V457 HydrophobicContact CG2-CG1 3.63Å; V428-V457 HydrophobicContact CG2-CG2 4.2Å |
| 429 | S | 90.8 | Very high | 82.3 | Confident | 16 Ų | 16 | 33.6 Ų | 33.6 | 11% | 0.112 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.3 | -44.5 | -177.6 | -169.6 | 0 | 0 | 0 | 0 | 112.4 | I425 V426 T427 T433 | I425-S429 PolarHBondContact O-N 3.15Å; V426-S429 PolarHBondContact O-N 3.47Å; T427-S429 VanDerWaalsContact C-N 3.34Å; T427-S429 PolarHBondContact O-N 3.07Å; S429-T433 PolarHBondContact O-N 3.4Å; S429-T433 VanDerWaalsContact O-N 3.15Å; S429-T433 PolarHBondContact O-OG1 2.78Å |
| 430 | L | 85.2 | Confident | 81.6 | Confident | 79 Ų | 79 | 26.9 Ų | 26.9 | 41% | 0.414 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -69.5 | -43.6 | 179.7 | -177.8 | 63.7 | 0 | 0 | 0 | 111.1 | L178 V426 T427 V428 T433 L434 | L178-L430 HydrophobicContact CD2-CD2 4.43Å; V426-L430 WeakPolarHBondContact O-CB 3.47Å; V426-L430 PolarHBondContact O-N 3.41Å; T427-L430 PolarHBondContact O-N 2.72Å; V428-L430 PolarHBondContact O-N 2.99Å; L430-T433 WeakPolarHBondContact O-CB 3.48Å; L430-T433 PolarHBondContact O-N 3.35Å; L430-L434 HydrophobicContact CD1-CD1 4.47Å; L430-L434 HydrophobicContact CG-CD1 4.21Å; L430-L434 WeakPolarHBondContact O-CG 3.42Å; L430-L434 PolarHBondContact O-N 3.04Å |
| 431 | T | 82.4 | Confident | 81 | Confident | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.006 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.6 | -39.9 | 178.4 | 51.3 | 0 | 0 | 0 | 0 | 112.1 | L178 T427 V428 T433 L434 A435 A456 | L178-T431 HydrophobicContact CD1-CG2 3.37Å; L178-T431 HydrophobicContact CD2-CG2 3.89Å; L178-T431 HydrophobicContact CG-CG2 4.27Å; T427-T431 HydrophobicContact CG2-CG2 4.1Å; T427-T431 VanDerWaalsContact O-CB 3.28Å; T427-T431 WeakPolarHBondContact O-CB 3.49Å; T427-T431 VanDerWaalsContact O-CG2 3.22Å; T427-T431 WeakPolarHBondContact O-CG2 3.27Å; T427-T431 PolarHBondContact O-N 3.11Å; T427-T431 PolarHBondContact O-OG1 3.44Å; V428-T431 WeakPolarHBondContact CA-OG1 3.15Å; V428-T431 PolarHBondContact O-N 3.44Å; V428-T431 PolarHBondContact O-OG1 3.12Å; V428-T431 VanDerWaalsContact O-OG1 3.06Å; T431-T433 VanDerWaalsContact C-N 3.34Å; T431-T433 PolarHBondContact O-N 3.01Å; T431-L434 PolarHBondContact O-N 2.99Å; T431-A435 WeakPolarHBondContact O-CB 3.38Å; T431-A435 PolarHBondContact O-N 3.42Å; T431-A456 HydrophobicContact CG2-CB 3.97Å |
| 432 | A | 90.2 | Very high | 80.1 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.7 | -41.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | E405 A406 V428 L434 A435 S436 I453 | E405-A432 HydrophobicContact CB-CB 3.95Å; A406-A432 HydrophobicContact CB-CB 4.22Å; V428-A432 WeakPolarHBondContact O-CB 3.38Å; V428-A432 PolarHBondContact O-N 3.39Å; A432-L434 PolarHBondContact O-N 3.38Å; A432-A435 PolarHBondContact O-N 3.47Å; A432-S436 VanDerWaalsContact O-CB 3.32Å; A432-S436 WeakPolarHBondContact O-CB 3.44Å; A432-S436 PolarHBondContact O-N 3.17Å; A432-S436 PolarHBondContact O-OG 2.84Å; A432-I453 HydrophobicContact CB-CD1 3.91Å |
| 433 | T | 88.8 | Confident | 79.1 | Confident | 5 Ų | 5 | 19.5 Ų | 19.5 | 3% | 0.031 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.5 | -42.4 | 176.2 | -56 | 0 | 0 | 0 | 0 | 111.7 | T135 V136 S429 L430 T431 S436 V437 | T135-T433 HydrophobicContact CG2-CG2 3.77Å; V136-T433 HydrophobicContact CG2-CG2 3.7Å; S429-T433 PolarHBondContact O-N 3.4Å; S429-T433 VanDerWaalsContact O-N 3.15Å; S429-T433 PolarHBondContact O-OG1 2.78Å; L430-T433 WeakPolarHBondContact O-CB 3.48Å; L430-T433 PolarHBondContact O-N 3.35Å; T431-T433 VanDerWaalsContact C-N 3.34Å; T431-T433 PolarHBondContact O-N 3.01Å; T433-S436 PolarHBondContact O-OG 3.4Å; T433-V437 WeakPolarHBondContact O-CG2 3.41Å |
| 434 | L | 80.7 | Confident | 78.6 | Confident | 52 Ų | 52 | 19.2 Ų | 19.2 | 27% | 0.272 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -73.4 | -37.6 | 179.4 | -67.6 | 173.3 | 0 | 0 | 0 | 112.1 | L243 L430 T431 A432 V437 | L243-L434 HydrophobicContact CD1-CB 4.27Å; L243-L434 HydrophobicContact CD1-CD1 4.26Å; L430-L434 HydrophobicContact CD1-CD1 4.47Å; L430-L434 HydrophobicContact CG-CD1 4.21Å; L430-L434 WeakPolarHBondContact O-CG 3.42Å; L430-L434 PolarHBondContact O-N 3.04Å; T431-L434 PolarHBondContact O-N 2.99Å; A432-L434 PolarHBondContact O-N 3.38Å; L434-V437 PolarHBondContact O-N 3.14Å |
| 435 | A | 79.5 | Confident | 77.9 | Confident | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -68 | -37.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | E405 T431 A432 V437 G438 A439 L452 I453 | E405-A435 WeakPolarHBondContact OE2-CB 3.43Å; T431-A435 WeakPolarHBondContact O-CB 3.38Å; T431-A435 PolarHBondContact O-N 3.42Å; A432-A435 PolarHBondContact O-N 3.47Å; A435-V437 VanDerWaalsContact C-N 3.29Å; A435-V437 PolarHBondContact O-N 3.48Å; A435-G438 CarbonylContact O-C 3.59Å; A435-G438 PolarHBondContact O-N 3.49Å; A435-G438 VanDerWaalsContact O-N 3.11Å; A435-A439 PolarHBondContact O-N 3.34Å; A435-L452 HydrophobicContact CB-CD2 4.05Å; A435-I453 HydrophobicContact CB-CD1 4.29Å; A435-I453 HydrophobicContact CB-CG1 4.27Å |
| 436 | S | 85.3 | Confident | 77 | Confident | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -63.7 | -32.1 | 177.3 | 71.6 | 0 | 0 | 0 | 0 | 113.1 | T135 M398 A432 T433 G438 A439 | T135-S436 VanDerWaalsContact CG2-OG 3.26Å; T135-S436 WeakPolarHBondContact CG2-OG 3.36Å; M398-S436 WeakPolarHBondContact CB-O 3.33Å; M398-S436 WeakPolarHBondContact CG-O 3.39Å; A432-S436 VanDerWaalsContact O-CB 3.32Å; A432-S436 WeakPolarHBondContact O-CB 3.44Å; A432-S436 PolarHBondContact O-N 3.17Å; A432-S436 PolarHBondContact O-OG 2.84Å; T433-S436 PolarHBondContact O-OG 3.4Å; S436-G438 VanDerWaalsContact C-N 3.26Å; S436-G438 PolarHBondContact O-N 3.49Å; S436-A439 PolarHBondContact O-N 2.88Å |
| 437 | V | 79.9 | Confident | 76.3 | Confident | 8 Ų | 8 | 12.9 Ų | 12.9 | 5% | 0.048 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -65.7 | -30.5 | 175.2 | 173 | 0 | 0 | 0 | 0 | 112.2 | M132 I250 I396 T433 L434 A435 | M132-V437 HydrophobicContact SD-CG2 4.46Å; I250-V437 HydrophobicContact CD1-CG1 4.44Å; I396-V437 HydrophobicContact CB-CG1 4.45Å; I396-V437 HydrophobicContact CG1-CG1 4.37Å; I396-V437 HydrophobicContact CG2-CG1 4.05Å; I396-V437 HydrophobicContact CG2-CG2 4.15Å; T433-V437 WeakPolarHBondContact O-CG2 3.41Å; L434-V437 PolarHBondContact O-N 3.14Å; A435-V437 VanDerWaalsContact C-N 3.29Å; A435-V437 PolarHBondContact O-N 3.48Å |
| 438 | G | 64.9 | Low | 75.3 | Confident | 4 Ų | 4 | 13.6 Ų | 13.6 | 4% | 0.041 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 2.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | I104 A435 S436 A440 | I104-G438 WeakPolarHBondContact CD1-O 3.36Å; I104-G438 VanDerWaalsContact CG1-O 3.3Å; I104-G438 WeakPolarHBondContact CG1-O 3.36Å; A435-G438 CarbonylContact O-C 3.59Å; A435-G438 PolarHBondContact O-N 3.49Å; A435-G438 VanDerWaalsContact O-N 3.11Å; S436-G438 VanDerWaalsContact C-N 3.26Å; S436-G438 PolarHBondContact O-N 3.49Å; G438-A440 PolarHBondContact O-N 2.96Å |
| 439 | A | 70.6 | Confident | 74.8 | Confident | 2 Ų | 2 | 13.9 Ų | 13.9 | 2% | 0.017 | 9% | 0.085 | C | C | . | . | S | Bend | trans | -68.3 | 132.7 | 170 | 0 | 0 | 0 | 0 | 0 | 108 | M398 T401 A435 S436 T449 | M398-A439 WeakPolarHBondContact CE-O 3.29Å; M398-A439 HydrophobicContact SD-CB 3.58Å; M398-A439 VanDerWaalsContact SD-CB 3.58Å; T401-A439 HydrophobicContact CG2-CB 3.98Å; A435-A439 PolarHBondContact O-N 3.34Å; S436-A439 PolarHBondContact O-N 2.88Å; A439-T449 HydrophobicContact CB-CG2 4Å |
| 440 | A | 63.7 | Low | 74.4 | Confident | 9 Ų | 9 | 13.1 Ų | 13.1 | 7% | 0.074 | 8% | 0.08 | C | C | . | . | trans | -73.3 | 148.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111 | L103 G438 I442 A445 | L103-A440 HydrophobicContact CB-CB 4.47Å; L103-A440 HydrophobicContact CD2-CB 3.27Å; L103-A440 HydrophobicContact CG-CB 3.64Å; G438-A440 PolarHBondContact O-N 2.96Å; A440-I442 HydrophobicContact CB-CD1 4.28Å; A440-I442 HydrophobicContact CB-CG1 3.84Å; A440-I442 PolarHBondContact O-N 3.29Å; A440-A445 HydrophobicContact CB-CB 4.27Å; A440-A445 WeakPolarHBondContact O-CB 3.12Å | ||
| 441 | S | 68.8 | Low | 73.4 | Confident | 18 Ų | 18 | 12 Ų | 12 | 13% | 0.126 | 7% | 0.074 | C | C | . | . | S | Bend | trans | -75.2 | 35.8 | -176.7 | -34.7 | 0 | 0 | 0 | 0 | 113.9 | S363 A394 | S363-S441 PolarHBondContact OG-O 3.32Å; A394-S441 VanDerWaalsContact C-OG 3.31Å; A394-S441 VanDerWaalsContact O-CB 3.31Å; A394-S441 WeakPolarHBondContact O-CB 3.44Å; A394-S441 PolarHBondContact O-OG 2.93Å |
| 442 | I | 65 | Low | 72.7 | Confident | 9 Ų | 9 | 12.8 Ų | 12.8 | 5% | 0.046 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -122.5 | 158 | -172.2 | 66.5 | 168.2 | 0 | 0 | 0 | 110.2 | L103 M278 V281 A440 A445 | L103-I442 HydrophobicContact CD2-CD1 3.67Å; L103-I442 HydrophobicContact CD2-CG1 4.15Å; L103-I442 HydrophobicContact CD2-CG2 3.94Å; M278-I442 HydrophobicContact CE-CG2 4.07Å; M278-I442 HydrophobicContact SD-CG2 3.84Å; V281-I442 HydrophobicContact CG1-CB 4.09Å; V281-I442 HydrophobicContact CG1-CD1 4.27Å; V281-I442 HydrophobicContact CG1-CG2 3.94Å; V281-I442 HydrophobicContact CG2-CD1 4.01Å; V281-I442 HydrophobicContact CG2-CG2 4.2Å; A440-I442 HydrophobicContact CB-CD1 4.28Å; A440-I442 HydrophobicContact CB-CG1 3.84Å; A440-I442 PolarHBondContact O-N 3.29Å; I442-A445 HydrophobicContact CG1-CB 4.05Å; I442-A445 WeakPolarHBondContact O-CB 3.37Å; I442-A445 PolarHBondContact O-N 2.66Å |
| 443 | P | 63.7 | Low | 72.2 | Confident | 14 Ų | 14 | 12.8 Ų | 12.8 | 9% | 0.091 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | 142.3 | -178.7 | -27 | 38.1 | 0 | 0 | 0 | 112.5 | M285 A362 A445 D475 | M285-P443 HydrophobicContact CE-CB 3.91Å; M285-P443 HydrophobicContact CE-CG 3.64Å; M285-P443 HydrophobicContact SD-CB 3.94Å; M285-P443 HydrophobicContact SD-CG 3.77Å; A362-P443 HydrophobicContact CB-CB 4.43Å; A362-P443 HydrophobicContact CB-CG 4.34Å; P443-A445 PolarHBondContact O-N 3.35Å; P443-A445 VanDerWaalsContact O-N 3.11Å; P443-D475 WeakPolarHBondContact CA-OD2 3.23Å |
| 444 | S | 66.3 | Low | 71.5 | Confident | 28 Ų | 28 | 12.5 Ų | 12.5 | 20% | 0.196 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.1 | 12.3 | 177.4 | -61.8 | 0 | 0 | 0 | 0 | 116.4 | G446 L447 D471 D475 | S444-G446 VanDerWaalsContact C-N 3.26Å; S444-G446 PolarHBondContact O-N 3.08Å; S444-L447 PolarHBondContact O-N 3.17Å; S444-D471 PolarHBondContact OG-OD2 3.1Å; S444-D475 PolarHBondContact N-OD2 3.03Å |
| 445 | A | 65.4 | Low | 70.8 | Confident | 12 Ų | 12 | 11.2 Ų | 11.2 | 10% | 0.099 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -36.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | A440 I442 P443 L447 V448 T449 | A440-A445 HydrophobicContact CB-CB 4.27Å; A440-A445 WeakPolarHBondContact O-CB 3.12Å; I442-A445 HydrophobicContact CG1-CB 4.05Å; I442-A445 WeakPolarHBondContact O-CB 3.37Å; I442-A445 PolarHBondContact O-N 2.66Å; P443-A445 PolarHBondContact O-N 3.35Å; P443-A445 VanDerWaalsContact O-N 3.11Å; A445-L447 PolarHBondContact O-N 3.21Å; A445-V448 PolarHBondContact O-N 3.36Å; A445-T449 PolarHBondContact O-N 3.11Å; A445-T449 PolarHBondContact O-OG1 3.42Å |
| 446 | G | 70.3 | Confident | 70 | Confident | 2 Ų | 2 | 12 Ų | 12 | 2% | 0.021 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -60.2 | -25.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115 | S444 V448 T449 M450 | S444-G446 VanDerWaalsContact C-N 3.26Å; S444-G446 PolarHBondContact O-N 3.08Å; G446-V448 VanDerWaalsContact C-N 3.25Å; G446-V448 PolarHBondContact O-N 3.31Å; G446-T449 VanDerWaalsContact CA-OG1 3.29Å; G446-T449 WeakPolarHBondContact CA-OG1 3.36Å; G446-T449 PolarHBondContact O-OG1 3.12Å; G446-M450 PolarHBondContact O-N 2.91Å; G446-M450 VanDerWaalsContact O-N 3.12Å |
| 447 | L | 70.2 | Confident | 69.2 | Low | 5 Ų | 5 | 12.2 Ų | 12.2 | 3% | 0.026 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -69.9 | -24.9 | 177 | -76.9 | 169 | 0 | 0 | 0 | 112.8 | M93 Y404 S444 A445 M450 I464 L467 V468 D471 | M93-L447 HydrophobicContact CE-CD1 4.34Å; Y404-L447 WeakPolarHBondContact OH-CD2 3.48Å; S444-L447 PolarHBondContact O-N 3.17Å; A445-L447 PolarHBondContact O-N 3.21Å; L447-M450 WeakPolarHBondContact O-CB 3.43Å; L447-I464 HydrophobicContact CD2-CG2 4.14Å; L447-L467 HydrophobicContact CD2-CB 3.96Å; L447-V468 HydrophobicContact CD1-CB 4.28Å; L447-V468 HydrophobicContact CD1-CG1 4.17Å; L447-V468 HydrophobicContact CD1-CG2 3.96Å; L447-V468 HydrophobicContact CD2-CG2 4.28Å; L447-D471 HydrophobicContact CD1-CB 3.65Å; L447-D471 VanDerWaalsContact CD1-CG 3.5Å; L447-D471 WeakPolarHBondContact CD1-OD2 3.42Å; L447-D471 HydrophobicContact CD2-CB 4.12Å; L447-D471 HydrophobicContact CG-CB 4.02Å |
| 448 | V | 62.4 | Low | 68.5 | Low | 22 Ų | 22 | 12.3 Ų | 12.3 | 13% | 0.133 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -92.7 | -35.1 | -176.3 | -170.6 | 0 | 0 | 0 | 0 | 111.8 | K97 I100 A445 G446 M450 L451 | K97-V448 HydrophobicContact CG-CG1 4.34Å; K97-V448 HydrophobicContact CG-CG2 4.11Å; I100-V448 HydrophobicContact CD1-CB 3.3Å; I100-V448 HydrophobicContact CD1-CG1 3.12Å; I100-V448 HydrophobicContact CD1-CG2 3.52Å; A445-V448 PolarHBondContact O-N 3.36Å; G446-V448 VanDerWaalsContact C-N 3.25Å; G446-V448 PolarHBondContact O-N 3.31Å; V448-M450 PolarHBondContact O-N 3.32Å; V448-L451 VanDerWaalsContact O-CB 3.27Å; V448-L451 WeakPolarHBondContact O-CB 3.24Å; V448-L451 PolarHBondContact O-N 3.36Å |
| 449 | T | 77.4 | Confident | 68.9 | Low | 6 Ų | 6 | 12.3 Ų | 12.3 | 4% | 0.037 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -65.6 | -25.2 | 167.5 | 42.2 | 0 | 0 | 0 | 0 | 112.2 | E405 A439 A445 G446 L451 L452 | E405-T449 WeakPolarHBondContact OE1-CB 3.41Å; E405-T449 PolarHBondContact OE1-OG1 3.17Å; A439-T449 HydrophobicContact CB-CG2 4Å; A445-T449 PolarHBondContact O-N 3.11Å; A445-T449 PolarHBondContact O-OG1 3.42Å; G446-T449 VanDerWaalsContact CA-OG1 3.29Å; G446-T449 WeakPolarHBondContact CA-OG1 3.36Å; G446-T449 PolarHBondContact O-OG1 3.12Å; T449-L451 PolarHBondContact O-N 2.87Å; T449-L452 WeakPolarHBondContact O-CB 3.25Å; T449-L452 PolarHBondContact O-N 2.72Å |
| 450 | M | 81.3 | Confident | 68.9 | Low | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -54.1 | -36.1 | 168.5 | -164.8 | 65.9 | 60.6 | 0 | 0 | 113.6 | Y404 E405 A408 G446 L447 V448 L452 I453 L454 I464 L467 | Y404-M450 HydrophobicContact CD1-CE 3.7Å; Y404-M450 HydrophobicContact CE1-CE 3.16Å; E405-M450 HydrophobicContact CB-CE 4.3Å; E405-M450 HydrophobicContact CG-CE 3.8Å; E405-M450 HydrophobicContact CG-SD 4.44Å; A408-M450 HydrophobicContact CB-CE 3.24Å; A408-M450 HydrophobicContact CB-SD 3.58Å; A408-M450 VanDerWaalsContact CB-SD 3.58Å; G446-M450 PolarHBondContact O-N 2.91Å; G446-M450 VanDerWaalsContact O-N 3.12Å; L447-M450 WeakPolarHBondContact O-CB 3.43Å; V448-M450 PolarHBondContact O-N 3.32Å; M450-L452 PolarHBondContact O-N 3.28Å; M450-I453 PolarHBondContact O-N 3.31Å; M450-I453 VanDerWaalsContact O-N 3.17Å; M450-L454 HydrophobicContact CG-CD1 4.27Å; M450-L454 HydrophobicContact CG-CG 4.26Å; M450-L454 WeakPolarHBondContact O-CG 3.45Å; M450-L454 PolarHBondContact O-N 3.34Å; M450-I464 HydrophobicContact CB-CD1 4.35Å; M450-I464 HydrophobicContact CG-CD1 4.36Å; M450-I464 HydrophobicContact CG-CG1 4.19Å; M450-L467 HydrophobicContact CE-CD1 4.49Å |
| 451 | L | 65.9 | Low | 69.2 | Low | 56 Ų | 56 | 15.2 Ų | 15.2 | 29% | 0.293 | 10% | 0.097 | S | C | . | . | H | α-helix | trans | -57.6 | -42.9 | -178.6 | -177.7 | 66.1 | 0 | 0 | 0 | 110.7 | V448 T449 I453 L454 T455 T461 I464 | V448-L451 VanDerWaalsContact O-CB 3.27Å; V448-L451 WeakPolarHBondContact O-CB 3.24Å; V448-L451 PolarHBondContact O-N 3.36Å; T449-L451 PolarHBondContact O-N 2.87Å; L451-I453 VanDerWaalsContact C-N 3.34Å; L451-I453 PolarHBondContact O-N 3.16Å; L451-L454 PolarHBondContact O-N 3.3Å; L451-T455 PolarHBondContact O-N 3.21Å; L451-T455 PolarHBondContact O-OG1 3.33Å; L451-T461 VanDerWaalsContact CD1-CB 3.48Å; L451-T461 HydrophobicContact CD1-CG2 3.38Å; L451-I464 HydrophobicContact CB-CD1 4.12Å; L451-I464 HydrophobicContact CD1-CD1 4.03Å |
| 452 | L | 65.7 | Low | 69.1 | Low | 16 Ų | 16 | 20.4 Ų | 20.4 | 8% | 0.084 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -58.4 | -47.2 | 178.6 | 170.2 | 159.9 | 0 | 0 | 0 | 110.9 | V242 L243 A435 T449 M450 T455 A456 | V242-L452 HydrophobicContact CB-CD1 3.98Å; V242-L452 HydrophobicContact CG1-CD1 4.35Å; L243-L452 HydrophobicContact CB-CD1 3.77Å; A435-L452 HydrophobicContact CB-CD2 4.05Å; T449-L452 WeakPolarHBondContact O-CB 3.25Å; T449-L452 PolarHBondContact O-N 2.72Å; M450-L452 PolarHBondContact O-N 3.28Å; L452-T455 PolarHBondContact O-N 2.81Å; L452-T455 PolarHBondContact O-OG1 2.63Å; L452-A456 VanDerWaalsContact O-CB 3.27Å; L452-A456 WeakPolarHBondContact O-CB 3.29Å; L452-A456 PolarHBondContact O-N 3.12Å |
| 453 | I | 79.8 | Confident | 69.5 | Low | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -65.3 | -49 | -177.1 | -58.9 | 169.7 | 0 | 0 | 0 | 109.9 | E405 A409 V428 A432 A435 M450 L451 T455 A456 V457 | E405-I453 HydrophobicContact CB-CD1 3.45Å; E405-I453 VanDerWaalsContact CB-CD1 3.45Å; E405-I453 HydrophobicContact CG-CD1 3.74Å; E405-I453 WeakPolarHBondContact OE2-CD1 3.42Å; A409-I453 HydrophobicContact CB-CG2 3.61Å; V428-I453 HydrophobicContact CG1-CG2 4.17Å; A432-I453 HydrophobicContact CB-CD1 3.91Å; A435-I453 HydrophobicContact CB-CD1 4.29Å; A435-I453 HydrophobicContact CB-CG1 4.27Å; M450-I453 PolarHBondContact O-N 3.31Å; M450-I453 VanDerWaalsContact O-N 3.17Å; L451-I453 VanDerWaalsContact C-N 3.34Å; L451-I453 PolarHBondContact O-N 3.16Å; I453-T455 VanDerWaalsContact C-N 3.32Å; I453-T455 PolarHBondContact O-N 3.42Å; I453-A456 WeakPolarHBondContact O-CB 3.44Å; I453-A456 PolarHBondContact O-N 2.84Å; I453-A456 VanDerWaalsContact O-N 3.12Å; I453-V457 VanDerWaalsContact O-CG2 3.3Å; I453-V457 WeakPolarHBondContact O-CG2 3.35Å; I453-V457 PolarHBondContact O-N 2.99Å |
| 454 | L | 75.3 | Confident | 70 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.3 | -42.7 | 179 | -63.9 | -176.8 | 0 | 0 | 0 | 111.5 | A409 I412 M450 L451 V457 G458 L459 T461 I464 | A409-L454 HydrophobicContact CB-CD2 4.11Å; I412-L454 HydrophobicContact CB-CD2 4.26Å; I412-L454 HydrophobicContact CD1-CD1 3.69Å; I412-L454 HydrophobicContact CD1-CD2 4.02Å; I412-L454 HydrophobicContact CD1-CG 4.46Å; I412-L454 HydrophobicContact CG2-CD2 4.16Å; M450-L454 HydrophobicContact CG-CD1 4.27Å; M450-L454 HydrophobicContact CG-CG 4.26Å; M450-L454 WeakPolarHBondContact O-CG 3.45Å; M450-L454 PolarHBondContact O-N 3.34Å; L451-L454 PolarHBondContact O-N 3.3Å; L454-V457 PolarHBondContact O-N 3.31Å; L454-G458 CarbonylContact O-C 3.15Å; L454-G458 PolarHBondContact O-N 3.39Å; L454-L459 HydrophobicContact CB-CB 4.17Å; L454-L459 HydrophobicContact CD2-CB 3.85Å; L454-L459 HydrophobicContact CD2-CD1 3.75Å; L454-L459 HydrophobicContact CD2-CG 4.47Å; L454-L459 PolarHBondContact O-N 3Å; L454-T461 HydrophobicContact CB-CG2 4.24Å; L454-I464 HydrophobicContact CD1-CD1 3.79Å; L454-I464 HydrophobicContact CD1-CG1 3.41Å; L454-I464 VanDerWaalsContact CD1-CG1 3.41Å |
| 455 | T | 64.7 | Low | 70 | Confident | 24 Ų | 24 | 22.1 Ų | 22.1 | 15% | 0.147 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -67.8 | -35.3 | 175.7 | 42.9 | 0 | 0 | 0 | 0 | 113 | L451 L452 I453 V457 G458 T461 | L451-T455 PolarHBondContact O-N 3.21Å; L451-T455 PolarHBondContact O-OG1 3.33Å; L452-T455 PolarHBondContact O-N 2.81Å; L452-T455 PolarHBondContact O-OG1 2.63Å; I453-T455 VanDerWaalsContact C-N 3.32Å; I453-T455 PolarHBondContact O-N 3.42Å; T455-V457 VanDerWaalsContact C-N 3.27Å; T455-V457 PolarHBondContact O-N 3.22Å; T455-G458 PolarHBondContact O-N 3.03Å; T455-T461 HydrophobicContact CG2-CG2 3.75Å |
| 456 | A | 63.5 | Low | 70.3 | Confident | 16 Ų | 16 | 22.7 Ų | 22.7 | 13% | 0.132 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.7 | -33.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A174 T431 L452 I453 | A174-A456 VanDerWaalsContact CB-O 3.25Å; A174-A456 WeakPolarHBondContact CB-O 3.35Å; T431-A456 HydrophobicContact CG2-CB 3.97Å; L452-A456 VanDerWaalsContact O-CB 3.27Å; L452-A456 WeakPolarHBondContact O-CB 3.29Å; L452-A456 PolarHBondContact O-N 3.12Å; I453-A456 WeakPolarHBondContact O-CB 3.44Å; I453-A456 PolarHBondContact O-N 2.84Å; I453-A456 VanDerWaalsContact O-N 3.12Å |
| 457 | V | 69.7 | Low | 70.7 | Confident | 5 Ų | 5 | 22.6 Ų | 22.6 | 3% | 0.03 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 6.1 | 176 | -63.9 | 0 | 0 | 0 | 0 | 114.5 | T427 V428 I453 L454 T455 L459 | T427-V457 HydrophobicContact CG2-CG1 4.06Å; V428-V457 HydrophobicContact CG2-CB 4.44Å; V428-V457 HydrophobicContact CG2-CG1 3.63Å; V428-V457 HydrophobicContact CG2-CG2 4.2Å; I453-V457 VanDerWaalsContact O-CG2 3.3Å; I453-V457 WeakPolarHBondContact O-CG2 3.35Å; I453-V457 PolarHBondContact O-N 2.99Å; L454-V457 PolarHBondContact O-N 3.31Å; T455-V457 VanDerWaalsContact C-N 3.27Å; T455-V457 PolarHBondContact O-N 3.22Å; V457-L459 VanDerWaalsContact C-N 3.34Å; V457-L459 HydrophobicContact CG2-CB 4.27Å; V457-L459 HydrophobicContact CG2-CD1 3.49Å; V457-L459 VanDerWaalsContact CG2-CD1 3.49Å; V457-L459 HydrophobicContact CG2-CG 3.65Å; V457-L459 PolarHBondContact O-N 3.33Å |
| 458 | G | 64.9 | Low | 70.7 | Confident | 11 Ų | 11 | 23.5 Ų | 23.5 | 11% | 0.113 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.8 | 20.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | N166 L454 T455 | N166-G458 WeakPolarHBondContact CB-O 3.46Å; N166-G458 PolarHBondContact ND2-O 3.38Å; L454-G458 CarbonylContact O-C 3.15Å; L454-G458 PolarHBondContact O-N 3.39Å; T455-G458 PolarHBondContact O-N 3.03Å |
| 459 | L | 73.5 | Confident | 71.1 | Confident | 4 Ų | 4 | 23.6 Ų | 23.6 | 2% | 0.021 | 14% | 0.138 | C | C | . | . | trans | -83 | 152.8 | 179.2 | -68.7 | 173.7 | 0 | 0 | 0 | 112.8 | N166 A409 A413 V418 L454 V457 T461 | N166-L459 PolarHBondContact ND2-O 3.46Å; A409-L459 WeakPolarHBondContact O-CD1 3.39Å; A413-L459 HydrophobicContact CB-CD1 3.82Å; A413-L459 HydrophobicContact CB-CD2 3.83Å; V418-L459 HydrophobicContact CB-CD2 4.11Å; V418-L459 HydrophobicContact CG1-CD2 3.99Å; V418-L459 HydrophobicContact CG2-CD2 4.27Å; L454-L459 HydrophobicContact CB-CB 4.17Å; L454-L459 HydrophobicContact CD2-CB 3.85Å; L454-L459 HydrophobicContact CD2-CD1 3.75Å; L454-L459 HydrophobicContact CD2-CG 4.47Å; L454-L459 PolarHBondContact O-N 3Å; V457-L459 VanDerWaalsContact C-N 3.34Å; V457-L459 HydrophobicContact CG2-CB 4.27Å; V457-L459 HydrophobicContact CG2-CD1 3.49Å; V457-L459 VanDerWaalsContact CG2-CD1 3.49Å; V457-L459 HydrophobicContact CG2-CG 3.65Å; V457-L459 PolarHBondContact O-N 3.33Å; L459-T461 PolarHBondContact O-N 3.35Å | ||
| 460 | P | 70.3 | Confident | 71 | Confident | 18 Ų | 18 | 24 Ų | 24 | 12% | 0.117 | 14% | 0.14 | C | C | . | . | trans | -62.5 | 128.7 | 176.2 | -21.1 | 33.2 | 0 | 0 | 0 | 112.1 | ||||
| 461 | T | 70.1 | Confident | 71 | Confident | 53 Ų | 53 | 24 Ų | 24 | 33% | 0.325 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -88 | -13 | -176 | 60.2 | 0 | 0 | 0 | 0 | 113.5 | L451 L454 T455 L459 D463 I464 | L451-T461 VanDerWaalsContact CD1-CB 3.48Å; L451-T461 HydrophobicContact CD1-CG2 3.38Å; L454-T461 HydrophobicContact CB-CG2 4.24Å; T455-T461 HydrophobicContact CG2-CG2 3.75Å; L459-T461 PolarHBondContact O-N 3.35Å; T461-D463 PolarHBondContact O-N 3.32Å; T461-I464 WeakPolarHBondContact O-CG1 3.45Å; T461-I464 PolarHBondContact O-N 3.12Å |
| 462 | Q | 66.2 | Low | 71.5 | Confident | 128 Ų | 128 | 24 Ų | 24 | 60% | 0.598 | 14% | 0.136 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -27.2 | -179.7 | -56.2 | 179.1 | 10.2 | 0 | 0 | 111.7 | I464 S465 | Q462-I464 VanDerWaalsContact C-N 3.28Å; Q462-I464 PolarHBondContact O-N 3.46Å; Q462-S465 WeakPolarHBondContact O-CB 3.31Å; Q462-S465 PolarHBondContact O-N 3.15Å; Q462-S465 PolarHBondContact O-OG 3.39Å |
| 463 | D | 72.5 | Confident | 72.2 | Confident | 24 Ų | 24 | 25.4 Ų | 25.4 | 13% | 0.128 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -15 | -177.8 | -64.3 | -29.7 | 0 | 0 | 0 | 113.6 | I412 M415 N416 T461 S465 L466 | I412-D463 HydrophobicContact CD1-CB 4.31Å; I412-D463 HydrophobicContact CG1-CB 4.28Å; I412-D463 HydrophobicContact CG2-CB 3.98Å; M415-D463 HydrophobicContact CE-CB 3.77Å; M415-D463 VanDerWaalsContact CE-CG 3.43Å; N416-D463 PolarHBondContact ND2-OD2 3.08Å; N416-D463 PolarHBondContact OD1-OD2 3.27Å; T461-D463 PolarHBondContact O-N 3.32Å; D463-S465 PolarHBondContact O-N 3.16Å; D463-S465 VanDerWaalsContact O-N 3.11Å; D463-L466 WeakPolarHBondContact O-CB 3.31Å; D463-L466 PolarHBondContact O-N 3.31Å; D463-L466 VanDerWaalsContact O-N 3.08Å |
| 464 | I | 74.1 | Confident | 72.7 | Confident | 21 Ų | 21 | 25.4 Ų | 25.4 | 11% | 0.108 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -54.6 | -33.1 | 171.4 | -62.2 | 172.9 | 0 | 0 | 0 | 110.3 | L447 M450 L451 L454 T461 Q462 L466 L467 V468 | L447-I464 HydrophobicContact CD2-CG2 4.14Å; M450-I464 HydrophobicContact CB-CD1 4.35Å; M450-I464 HydrophobicContact CG-CD1 4.36Å; M450-I464 HydrophobicContact CG-CG1 4.19Å; L451-I464 HydrophobicContact CB-CD1 4.12Å; L451-I464 HydrophobicContact CD1-CD1 4.03Å; L454-I464 HydrophobicContact CD1-CD1 3.79Å; L454-I464 HydrophobicContact CD1-CG1 3.41Å; L454-I464 VanDerWaalsContact CD1-CG1 3.41Å; T461-I464 WeakPolarHBondContact O-CG1 3.45Å; T461-I464 PolarHBondContact O-N 3.12Å; Q462-I464 VanDerWaalsContact C-N 3.28Å; Q462-I464 PolarHBondContact O-N 3.46Å; I464-L466 PolarHBondContact O-N 3.4Å; I464-L466 VanDerWaalsContact O-N 3.12Å; I464-L467 WeakPolarHBondContact O-CB 3.19Å; I464-L467 PolarHBondContact O-N 3.45Å; I464-V468 PolarHBondContact O-N 3.06Å |
| 465 | S | 67.3 | Low | 73.2 | Confident | 42 Ų | 42 | 25.8 Ų | 25.8 | 29% | 0.294 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -62.1 | -22 | -177.4 | 77.7 | 0 | 0 | 0 | 0 | 114 | K299 Q462 D463 | K299-S465 PolarHBondContact NZ-OG 3.04Å; K299-S465 VanDerWaalsContact NZ-OG 3.15Å; Q462-S465 WeakPolarHBondContact O-CB 3.31Å; Q462-S465 PolarHBondContact O-N 3.15Å; Q462-S465 PolarHBondContact O-OG 3.39Å; D463-S465 PolarHBondContact O-N 3.16Å; D463-S465 VanDerWaalsContact O-N 3.11Å |
| 466 | L | 71.4 | Confident | 74.3 | Confident | 23 Ų | 23 | 26 Ų | 26 | 12% | 0.12 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -72.7 | -36.4 | 173.2 | -63.8 | 170.4 | 0 | 0 | 0 | 111.7 | L160 M415 D463 I464 V468 | L160-L466 HydrophobicContact CD2-CD2 4.29Å; M415-L466 HydrophobicContact CE-CD1 3.81Å; M415-L466 HydrophobicContact SD-CD1 3.71Å; D463-L466 WeakPolarHBondContact O-CB 3.31Å; D463-L466 PolarHBondContact O-N 3.31Å; D463-L466 VanDerWaalsContact O-N 3.08Å; I464-L466 PolarHBondContact O-N 3.4Å; I464-L466 VanDerWaalsContact O-N 3.12Å; L466-V468 VanDerWaalsContact C-N 3.32Å; L466-V468 PolarHBondContact O-N 2.91Å |
| 467 | L | 78.6 | Confident | 75.7 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -70.7 | -29.9 | -179.3 | -57.2 | -176.5 | 0 | 0 | 0 | 112.1 | L313 Y316 A408 F411 I412 L447 M450 I464 A469 V470 D471 | L313-L467 HydrophobicContact CD2-CD2 4.5Å; Y316-L467 HydrophobicContact CD1-CD2 4.13Å; Y316-L467 HydrophobicContact CE1-CD2 3.64Å; Y316-L467 HydrophobicContact CE2-CD2 4.37Å; A408-L467 HydrophobicContact CB-CD1 3.71Å; F411-L467 HydrophobicContact CD1-CD2 4.06Å; F411-L467 HydrophobicContact CE1-CD2 4Å; I412-L467 HydrophobicContact CD1-CD1 3.92Å; L447-L467 HydrophobicContact CD2-CB 3.96Å; M450-L467 HydrophobicContact CE-CD1 4.49Å; I464-L467 WeakPolarHBondContact O-CB 3.19Å; I464-L467 PolarHBondContact O-N 3.45Å; L467-A469 PolarHBondContact O-N 2.98Å; L467-A469 VanDerWaalsContact O-N 3.17Å; L467-V470 VanDerWaalsContact O-CG2 3.26Å; L467-V470 WeakPolarHBondContact O-CG2 3.27Å; L467-V470 PolarHBondContact O-N 2.92Å; L467-D471 WeakPolarHBondContact O-CB 3.3Å; L467-D471 PolarHBondContact O-N 3.45Å |
| 468 | V | 71 | Confident | 76.9 | Confident | 24 Ų | 24 | 27.8 Ų | 27.8 | 15% | 0.145 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -56.3 | -35.3 | 179.7 | -171 | 0 | 0 | 0 | 0 | 112 | M93 L295 L447 I464 L466 V470 D471 | M93-V468 HydrophobicContact CE-CG1 4.3Å; M93-V468 HydrophobicContact CE-CG2 4.19Å; M93-V468 HydrophobicContact SD-CG1 4Å; L295-V468 HydrophobicContact CD1-CG1 3.69Å; L295-V468 HydrophobicContact CD2-CB 3.95Å; L295-V468 HydrophobicContact CD2-CG1 3.49Å; L295-V468 VanDerWaalsContact CD2-CG1 3.49Å; L295-V468 HydrophobicContact CG-CG1 4.26Å; L447-V468 HydrophobicContact CD1-CB 4.28Å; L447-V468 HydrophobicContact CD1-CG1 4.17Å; L447-V468 HydrophobicContact CD1-CG2 3.96Å; L447-V468 HydrophobicContact CD2-CG2 4.28Å; I464-V468 PolarHBondContact O-N 3.06Å; L466-V468 VanDerWaalsContact C-N 3.32Å; L466-V468 PolarHBondContact O-N 2.91Å; V468-V470 PolarHBondContact O-N 3.4Å; V468-D471 PolarHBondContact O-N 3.32Å |
| 469 | A | 69.3 | Low | 78.1 | Confident | 23 Ų | 23 | 27.6 Ų | 27.6 | 19% | 0.19 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65 | -27 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | L467 W472 | L467-A469 PolarHBondContact O-N 2.98Å; L467-A469 VanDerWaalsContact O-N 3.17Å; A469-W472 PolarHBondContact O-NE1 3.49Å |
| 470 | V | 76.7 | Confident | 79.1 | Confident | 15 Ų | 15 | 27.5 Ų | 27.5 | 9% | 0.091 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -109.1 | -16.1 | -178.8 | -60.6 | 0 | 0 | 0 | 0 | 113 | L313 Y316 M317 L467 V468 W472 L473 L474 | L313-V470 HydrophobicContact CB-CG1 4.29Å; L313-V470 HydrophobicContact CD1-CG1 4.37Å; Y316-V470 HydrophobicContact CD1-CG2 4.22Å; Y316-V470 HydrophobicContact CE1-CG2 3.96Å; M317-V470 HydrophobicContact CE-CB 4.45Å; M317-V470 HydrophobicContact CG-CB 3.91Å; M317-V470 HydrophobicContact CG-CG1 4.14Å; M317-V470 HydrophobicContact CG-CG2 4.2Å; M317-V470 HydrophobicContact SD-CB 3.71Å; M317-V470 HydrophobicContact SD-CG1 3.49Å; M317-V470 WeakPolarHBondContact SD-CG1 3.3Å; L467-V470 VanDerWaalsContact O-CG2 3.26Å; L467-V470 WeakPolarHBondContact O-CG2 3.27Å; L467-V470 PolarHBondContact O-N 2.92Å; V468-V470 PolarHBondContact O-N 3.4Å; V470-W472 PolarHBondContact O-N 3.43Å; V470-L473 PolarHBondContact O-N 3.26Å; V470-L473 VanDerWaalsContact O-N 3.09Å; V470-L474 HydrophobicContact CG2-CD1 4.16Å; V470-L474 PolarHBondContact O-N 2.89Å |
| 471 | D | 81.5 | Confident | 80.3 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59.6 | -35 | -175.7 | -168.5 | 72 | 0 | 0 | 0 | 112.2 | Y404 S444 L447 L467 V468 L473 L474 D475 R478 | Y404-D471 VanDerWaalsContact CZ-OD1 3.28Å; Y404-D471 PolarHBondContact OH-OD1 3.2Å; S444-D471 PolarHBondContact OG-OD2 3.1Å; L447-D471 HydrophobicContact CD1-CB 3.65Å; L447-D471 VanDerWaalsContact CD1-CG 3.5Å; L447-D471 WeakPolarHBondContact CD1-OD2 3.42Å; L447-D471 HydrophobicContact CD2-CB 4.12Å; L447-D471 HydrophobicContact CG-CB 4.02Å; L467-D471 WeakPolarHBondContact O-CB 3.3Å; L467-D471 PolarHBondContact O-N 3.45Å; V468-D471 PolarHBondContact O-N 3.32Å; D471-L473 PolarHBondContact O-N 3.37Å; D471-L473 VanDerWaalsContact O-N 3.09Å; D471-L474 PolarHBondContact O-N 3.1Å; D471-L474 VanDerWaalsContact O-N 3.14Å; D471-D475 WeakPolarHBondContact O-CB 3.36Å; D471-D475 PolarHBondContact O-N 3.15Å; D471-R478 IonicContact OD1-CZ 2.68Å; D471-R478 VanDerWaalsContact OD1-CZ 3.29Å; D471-R478 IonicContact OD1-NH1 3.63Å; D471-R478 PolarHBondContact OD1-NH1 3.47Å; D471-R478 IonicContact OD1-NH2 2.8Å; D471-R478 PolarHBondContact OD1-NH2 2.94Å; D471-R478 IonicContact OD2-NH2 3.73Å; D471-R478 PolarHBondContact OD2-NH2 2.88Å |
| 472 | W | 74.7 | Confident | 81.6 | Confident | 55 Ų | 55 | 24.9 Ų | 24.9 | 21% | 0.208 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -52.1 | -39.5 | 177.5 | 75 | -88.8 | 0 | 0 | 0 | 111.6 | V61 A469 V470 R476 | V61-W472 HydrophobicContact CB-CD2 4.31Å; V61-W472 HydrophobicContact CB-CZ2 4.38Å; V61-W472 HydrophobicContact CG1-CD2 3.97Å; V61-W472 HydrophobicContact CG1-CE3 4.46Å; V61-W472 HydrophobicContact CG1-CH2 3.94Å; V61-W472 HydrophobicContact CG1-CZ2 3.38Å; V61-W472 HydrophobicContact CG1-CZ3 4.44Å; V61-W472 HydrophobicContact CG2-CB 4.45Å; V61-W472 HydrophobicContact CG2-CD2 3.47Å; V61-W472 VanDerWaalsContact CG2-CD2 3.47Å; V61-W472 HydrophobicContact CG2-CE3 3.78Å; V61-W472 HydrophobicContact CG2-CG 3.73Å; V61-W472 HydrophobicContact CG2-CZ2 4.41Å; V61-W472 HydrophobicContact CG2-CZ3 4.34Å; A469-W472 PolarHBondContact O-NE1 3.49Å; V470-W472 PolarHBondContact O-N 3.43Å; W472-R476 PolarHBondContact O-NH1 3.01Å |
| 473 | L | 81.3 | Confident | 82.9 | Confident | 47 Ų | 47 | 19 Ų | 19 | 25% | 0.246 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -78.7 | -48 | 178.7 | -176.9 | 63 | 0 | 0 | 0 | 111.2 | M317 V470 D471 D475 R476 F477 | M317-L473 HydrophobicContact CE-CB 4.45Å; M317-L473 HydrophobicContact CE-CD2 3.51Å; M317-L473 HydrophobicContact CE-CG 4.48Å; V470-L473 PolarHBondContact O-N 3.26Å; V470-L473 VanDerWaalsContact O-N 3.09Å; D471-L473 PolarHBondContact O-N 3.37Å; D471-L473 VanDerWaalsContact O-N 3.09Å; L473-D475 VanDerWaalsContact C-N 3.28Å; L473-D475 PolarHBondContact O-N 3.12Å; L473-R476 WeakPolarHBondContact O-CB 3.43Å; L473-R476 PolarHBondContact O-N 3.01Å; L473-F477 HydrophobicContact CD1-CE2 3.9Å; L473-F477 HydrophobicContact CG-CD2 4.42Å; L473-F477 HydrophobicContact CG-CE2 3.99Å; L473-F477 WeakPolarHBondContact O-CD2 3.35Å |
| 474 | L | 89.6 | Confident | 84.1 | Confident | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -62.4 | -38.1 | -175.6 | -64 | 179 | 0 | 0 | 0 | 111.6 | Y316 M317 V320 I321 Y404 V470 D471 R476 F477 R478 | Y316-L474 HydrophobicContact CD1-CD1 4.28Å; Y316-L474 HydrophobicContact CE1-CD1 3.5Å; Y316-L474 VanDerWaalsContact CE1-CD1 3.5Å; M317-L474 HydrophobicContact CB-CD2 4.26Å; M317-L474 HydrophobicContact CG-CD1 4.2Å; M317-L474 HydrophobicContact CG-CD2 4.26Å; M317-L474 HydrophobicContact CG-CG 4.4Å; V320-L474 HydrophobicContact CB-CD1 4.42Å; V320-L474 HydrophobicContact CB-CD2 4.15Å; V320-L474 HydrophobicContact CG1-CD1 4.39Å; V320-L474 HydrophobicContact CG1-CD2 4.02Å; V320-L474 HydrophobicContact CG2-CD1 4.42Å; I321-L474 HydrophobicContact CD1-CD2 4.08Å; I321-L474 HydrophobicContact CG1-CD2 3.77Å; Y404-L474 HydrophobicContact CD2-CB 4.44Å; Y404-L474 HydrophobicContact CD2-CD1 4.22Å; Y404-L474 HydrophobicContact CE2-CB 4.36Å; Y404-L474 HydrophobicContact CE2-CD1 3.91Å; V470-L474 HydrophobicContact CG2-CD1 4.16Å; V470-L474 PolarHBondContact O-N 2.89Å; D471-L474 PolarHBondContact O-N 3.1Å; D471-L474 VanDerWaalsContact O-N 3.14Å; L474-R476 VanDerWaalsContact C-N 3.26Å; L474-R476 PolarHBondContact O-N 3.28Å; L474-F477 PolarHBondContact O-N 2.98Å; L474-R478 WeakPolarHBondContact O-CG 3.44Å; L474-R478 PolarHBondContact O-N 3.22Å |
| 475 | D | 86.6 | Confident | 85.2 | Confident | 8 Ų | 8 | 17.1 Ų | 17.1 | 4% | 0.043 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -55.8 | -39.4 | 178.6 | -167.7 | 43.5 | 0 | 0 | 0 | 113 | P443 S444 D471 L473 F477 R478 T479 | P443-D475 WeakPolarHBondContact CA-OD2 3.23Å; S444-D475 PolarHBondContact N-OD2 3.03Å; D471-D475 WeakPolarHBondContact O-CB 3.36Å; D471-D475 PolarHBondContact O-N 3.15Å; L473-D475 VanDerWaalsContact C-N 3.28Å; L473-D475 PolarHBondContact O-N 3.12Å; D475-F477 VanDerWaalsContact C-N 3.35Å; D475-F477 PolarHBondContact O-N 2.85Å; D475-R478 VanDerWaalsContact CB-NH2 3.35Å; D475-R478 VanDerWaalsContact CG-NH2 3.29Å; D475-R478 PolarHBondContact O-N 3.31Å; D475-R478 IonicContact OD1-CZ 3.62Å; D475-R478 IonicContact OD1-NE 3.58Å; D475-R478 PolarHBondContact OD1-NE 3.2Å; D475-R478 IonicContact OD1-NH2 3.61Å; D475-R478 PolarHBondContact OD1-NH2 3.25Å; D475-T479 WeakPolarHBondContact O-CB 3.3Å; D475-T479 PolarHBondContact O-N 3.44Å; D475-T479 PolarHBondContact O-OG1 3.47Å; D475-T479 VanDerWaalsContact O-OG1 3.11Å |
| 476 | R | 86.5 | Confident | 86.5 | Confident | 27 Ų | 27 | 15.4 Ų | 15.4 | 10% | 0.102 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -61.6 | -44.4 | 176.7 | -69.1 | 166.8 | 163 | 74.8 | 1 | 111.5 | L54 L359 A362 W472 L473 L474 S480 | L54-R476 VanDerWaalsContact CD1-NH2 3.31Å; L359-R476 HydrophobicContact CD1-CB 4.1Å; L359-R476 WeakPolarHBondContact O-CB 3.26Å; L359-R476 VanDerWaalsContact O-CG 3.31Å; L359-R476 WeakPolarHBondContact O-CG 3.4Å; A362-R476 HydrophobicContact CB-CG 3.85Å; W472-R476 PolarHBondContact O-NH1 3.01Å; L473-R476 WeakPolarHBondContact O-CB 3.43Å; L473-R476 PolarHBondContact O-N 3.01Å; L474-R476 VanDerWaalsContact C-N 3.26Å; L474-R476 PolarHBondContact O-N 3.28Å; R476-S480 WeakPolarHBondContact O-CB 3.4Å; R476-S480 PolarHBondContact O-N 2.85Å |
| 477 | F | 93.8 | Very high | 87.7 | Confident | 59 Ų | 59 | 14.3 Ų | 14.3 | 26% | 0.259 | 7% | 0.073 | S | C | . | . | H | α-helix | trans | -67.7 | -44.6 | 176.6 | -69.9 | -77.3 | 0 | 0 | 0 | 111.2 | I321 L324 L359 L473 L474 D475 T479 S480 V481 | I321-F477 HydrophobicContact CD1-CE2 4.32Å; I321-F477 HydrophobicContact CG1-CD2 4.32Å; L324-F477 HydrophobicContact CD1-CB 3.61Å; L359-F477 HydrophobicContact CD1-CD1 3.97Å; L359-F477 HydrophobicContact CD1-CE1 4.13Å; L359-F477 HydrophobicContact CD1-CG 4.37Å; L473-F477 HydrophobicContact CD1-CE2 3.9Å; L473-F477 HydrophobicContact CG-CD2 4.42Å; L473-F477 HydrophobicContact CG-CE2 3.99Å; L473-F477 WeakPolarHBondContact O-CD2 3.35Å; L474-F477 PolarHBondContact O-N 2.98Å; D475-F477 VanDerWaalsContact C-N 3.35Å; D475-F477 PolarHBondContact O-N 2.85Å; F477-T479 PolarHBondContact O-N 3.02Å; F477-S480 PolarHBondContact O-N 3.36Å; F477-S480 PolarHBondContact O-OG 2.79Å; F477-V481 WeakPolarHBondContact O-CG2 3.25Å; F477-V481 PolarHBondContact O-N 2.78Å |
| 478 | R | 94.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -54.3 | -54.2 | 176.6 | -66.7 | -172 | -53.6 | -142.5 | -6.8 | 110.9 | L324 G400 Y404 D471 L474 D475 S480 V481 N482 | L324-R478 HydrophobicContact CD1-CG 4.03Å; G400-R478 WeakPolarHBondContact O-CG 3.44Å; Y404-R478 VanDerWaalsContact CB-CD 3.42Å; Y404-R478 VanDerWaalsContact CG-NH1 3.28Å; D471-R478 IonicContact OD1-CZ 2.68Å; D471-R478 VanDerWaalsContact OD1-CZ 3.29Å; D471-R478 IonicContact OD1-NH1 3.63Å; D471-R478 PolarHBondContact OD1-NH1 3.47Å; D471-R478 IonicContact OD1-NH2 2.8Å; D471-R478 PolarHBondContact OD1-NH2 2.94Å; D471-R478 IonicContact OD2-NH2 3.73Å; D471-R478 PolarHBondContact OD2-NH2 2.88Å; L474-R478 WeakPolarHBondContact O-CG 3.44Å; L474-R478 PolarHBondContact O-N 3.22Å; D475-R478 VanDerWaalsContact CB-NH2 3.35Å; D475-R478 VanDerWaalsContact CG-NH2 3.29Å; D475-R478 PolarHBondContact O-N 3.31Å; D475-R478 IonicContact OD1-CZ 3.62Å; D475-R478 IonicContact OD1-NE 3.58Å; D475-R478 PolarHBondContact OD1-NE 3.2Å; D475-R478 IonicContact OD1-NH2 3.61Å; D475-R478 PolarHBondContact OD1-NH2 3.25Å; R478-S480 VanDerWaalsContact C-N 3.31Å; R478-S480 PolarHBondContact O-N 2.98Å; R478-V481 PolarHBondContact O-N 2.85Å; R478-V481 VanDerWaalsContact O-N 3.11Å; R478-N482 VanDerWaalsContact O-CG 3.27Å; R478-N482 PolarHBondContact O-N 3.48Å; R478-N482 PolarHBondContact O-OD1 3.38Å |
| 479 | T | 91.3 | Very high | 89.7 | Confident | 8 Ų | 8 | 13.3 Ų | 13.3 | 5% | 0.049 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -62.1 | -39.7 | -178.9 | -63.4 | 0 | 0 | 0 | 0 | 111.8 | A358 A362 S363 S364 D475 F477 V481 N482 V483 | A358-T479 HydrophobicContact CB-CG2 4.24Å; A362-T479 PolarHBondContact O-OG1 2.79Å; A362-T479 VanDerWaalsContact O-OG1 3.05Å; S363-T479 VanDerWaalsContact C-CG2 3.4Å; S364-T479 VanDerWaalsContact N-CG2 3.33Å; D475-T479 WeakPolarHBondContact O-CB 3.3Å; D475-T479 PolarHBondContact O-N 3.44Å; D475-T479 PolarHBondContact O-OG1 3.47Å; D475-T479 VanDerWaalsContact O-OG1 3.11Å; F477-T479 PolarHBondContact O-N 3.02Å; T479-V481 VanDerWaalsContact C-N 3.31Å; T479-V481 PolarHBondContact O-N 3.41Å; T479-N482 PolarHBondContact O-N 3.25Å; T479-V483 WeakPolarHBondContact O-CG2 3.45Å; T479-V483 PolarHBondContact O-N 3.47Å |
| 480 | S | 93.9 | Very high | 90.9 | Very high | 2 Ų | 2 | 12.2 Ų | 12.2 | 1% | 0.014 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -62 | -37.9 | 175.9 | 79.9 | 0 | 0 | 0 | 0 | 112.8 | W355 R476 F477 R478 V484 | W355-S480 PolarHBondContact NE1-OG 2.49Å; R476-S480 WeakPolarHBondContact O-CB 3.4Å; R476-S480 PolarHBondContact O-N 2.85Å; F477-S480 PolarHBondContact O-N 3.36Å; F477-S480 PolarHBondContact O-OG 2.79Å; R478-S480 VanDerWaalsContact C-N 3.31Å; R478-S480 PolarHBondContact O-N 2.98Å; S480-V484 VanDerWaalsContact O-CG2 3.26Å; S480-V484 WeakPolarHBondContact O-CG2 3.39Å; S480-V484 PolarHBondContact O-N 3.22Å |
| 481 | V | 96.6 | Very high | 91.8 | Very high | 12 Ų | 12 | 11.7 Ų | 11.7 | 7% | 0.073 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -71.9 | -41 | 176.5 | 172.6 | 0 | 0 | 0 | 0 | 111.1 | L324 L332 F477 R478 T479 V483 V484 G485 | L324-V481 HydrophobicContact CB-CG2 4.1Å; L324-V481 HydrophobicContact CD2-CB 4.41Å; L324-V481 HydrophobicContact CD2-CG2 4.3Å; L332-V481 HydrophobicContact CD1-CG1 4.34Å; F477-V481 WeakPolarHBondContact O-CG2 3.25Å; F477-V481 PolarHBondContact O-N 2.78Å; R478-V481 PolarHBondContact O-N 2.85Å; R478-V481 VanDerWaalsContact O-N 3.11Å; T479-V481 VanDerWaalsContact C-N 3.31Å; T479-V481 PolarHBondContact O-N 3.41Å; V481-V483 PolarHBondContact O-N 3.44Å; V481-V484 PolarHBondContact O-N 3.39Å; V481-G485 PolarHBondContact O-N 3.02Å |
| 482 | N | 95.7 | Very high | 92.5 | Very high | 3 Ų | 3 | 11.9 Ų | 11.9 | 2% | 0.016 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -57.6 | -48.8 | 176.1 | -65.2 | -9.7 | 0 | 0 | 0 | 111.1 | D399 G400 T401 R478 T479 V484 G485 D486 | D399-N482 PolarHBondContact N-OD1 2.94Å; G400-N482 WeakPolarHBondContact CA-OD1 3.16Å; G400-N482 PolarHBondContact N-OD1 3.25Å; T401-N482 PolarHBondContact OG1-ND2 3.18Å; R478-N482 VanDerWaalsContact O-CG 3.27Å; R478-N482 PolarHBondContact O-N 3.48Å; R478-N482 PolarHBondContact O-OD1 3.38Å; T479-N482 PolarHBondContact O-N 3.25Å; N482-V484 VanDerWaalsContact C-N 3.3Å; N482-V484 PolarHBondContact O-N 2.96Å; N482-G485 WeakPolarHBondContact O-CA 3.33Å; N482-G485 PolarHBondContact O-N 2.93Å; N482-G485 VanDerWaalsContact O-N 3.1Å; N482-D486 PolarHBondContact O-N 2.67Å |
| 483 | V | 94.8 | Very high | 93.5 | Very high | 4 Ų | 4 | 9.3 Ų | 9.3 | 2% | 0.024 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -63 | -36.1 | 178.7 | 171.8 | 0 | 0 | 0 | 0 | 112.2 | A354 A358 T367 T371 T479 V481 S487 | A354-V483 HydrophobicContact CB-CG1 4.29Å; A358-V483 HydrophobicContact CB-CB 3.98Å; A358-V483 HydrophobicContact CB-CG1 4.33Å; A358-V483 HydrophobicContact CB-CG2 3.75Å; T367-V483 HydrophobicContact CG2-CG1 4.33Å; T371-V483 HydrophobicContact CG2-CG1 4.35Å; T479-V483 WeakPolarHBondContact O-CG2 3.45Å; T479-V483 PolarHBondContact O-N 3.47Å; V481-V483 PolarHBondContact O-N 3.44Å; V483-S487 WeakPolarHBondContact O-CB 3.26Å; V483-S487 PolarHBondContact O-N 3.4Å; V483-S487 VanDerWaalsContact O-N 3.07Å; V483-S487 PolarHBondContact O-OG 2.8Å |
| 484 | V | 96.8 | Very high | 94.1 | Very high | 6 Ų | 6 | 9.8 Ų | 9.8 | 4% | 0.036 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -67.3 | -42.1 | 173.7 | 168.7 | 0 | 0 | 0 | 0 | 111 | L332 F348 I351 W355 S480 V481 N482 S487 Y488 | L332-V484 HydrophobicContact CD1-CG1 4.33Å; F348-V484 HydrophobicContact CE2-CG2 4.06Å; I351-V484 HydrophobicContact CD1-CG2 4.37Å; W355-V484 HydrophobicContact CB-CG2 4.18Å; W355-V484 HydrophobicContact CG-CG2 4.22Å; S480-V484 VanDerWaalsContact O-CG2 3.26Å; S480-V484 WeakPolarHBondContact O-CG2 3.39Å; S480-V484 PolarHBondContact O-N 3.22Å; V481-V484 PolarHBondContact O-N 3.39Å; N482-V484 VanDerWaalsContact C-N 3.3Å; N482-V484 PolarHBondContact O-N 2.96Å; V484-S487 PolarHBondContact O-N 3.37Å; V484-Y488 HydrophobicContact CG1-CD2 3.61Å; V484-Y488 HydrophobicContact CG1-CE2 3.46Å; V484-Y488 VanDerWaalsContact CG1-CE2 3.46Å; V484-Y488 VanDerWaalsContact O-CD2 3.3Å; V484-Y488 WeakPolarHBondContact O-CD2 3.49Å; V484-Y488 PolarHBondContact O-N 2.97Å |
| 485 | G | 96.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -58.4 | -46.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y130 V481 N482 S487 Y488 G489 | Y130-G485 WeakPolarHBondContact CE1-O 3.31Å; Y130-G485 PolarHBondContact OH-O 2.76Å; V481-G485 PolarHBondContact O-N 3.02Å; N482-G485 WeakPolarHBondContact O-CA 3.33Å; N482-G485 PolarHBondContact O-N 2.93Å; N482-G485 VanDerWaalsContact O-N 3.1Å; G485-S487 VanDerWaalsContact C-N 3.33Å; G485-S487 PolarHBondContact O-N 3.38Å; G485-Y488 PolarHBondContact O-N 2.91Å; G485-G489 PolarHBondContact O-N 3.26Å |
| 486 | D | 95.2 | Very high | 94.6 | Very high | 6 Ų | 6 | 16.4 Ų | 16.4 | 3% | 0.032 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -61.7 | -41.6 | 176.1 | -67.3 | -17.6 | 0 | 0 | 0 | 111.9 | L390 G393 A394 N397 N482 G489 A490 | L390-D486 HydrophobicContact CD2-CB 4.16Å; G393-D486 WeakPolarHBondContact CA-OD1 3.39Å; A394-D486 PolarHBondContact N-OD2 3.49Å; N397-D486 VanDerWaalsContact CB-OD1 3.28Å; N397-D486 WeakPolarHBondContact CB-OD1 3.4Å; N397-D486 PolarHBondContact ND2-N 3.4Å; N397-D486 PolarHBondContact ND2-OD1 2.91Å; N482-D486 PolarHBondContact O-N 2.67Å; D486-G489 PolarHBondContact O-N 3.45Å; D486-A490 PolarHBondContact O-N 2.96Å |
| 487 | S | 96.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -64.9 | -46.9 | 179.5 | -61.6 | 0 | 0 | 0 | 0 | 111.6 | F347 I351 V483 V484 G485 G489 A490 G491 | F347-S487 VanDerWaalsContact CZ-O 3.23Å; F347-S487 WeakPolarHBondContact CZ-O 3.49Å; I351-S487 VanDerWaalsContact CD1-CB 3.48Å; V483-S487 WeakPolarHBondContact O-CB 3.26Å; V483-S487 PolarHBondContact O-N 3.4Å; V483-S487 VanDerWaalsContact O-N 3.07Å; V483-S487 PolarHBondContact O-OG 2.8Å; V484-S487 PolarHBondContact O-N 3.37Å; G485-S487 VanDerWaalsContact C-N 3.33Å; G485-S487 PolarHBondContact O-N 3.38Å; S487-G489 VanDerWaalsContact C-N 3.3Å; S487-G489 PolarHBondContact O-N 2.81Å; S487-A490 PolarHBondContact O-N 3.34Å; S487-G491 PolarHBondContact O-N 2.77Å; S487-G491 VanDerWaalsContact O-N 3.09Å |
| 488 | Y | 97.3 | Very high | 94.5 | Very high | 4 Ų | 4 | 17 Ų | 17 | 2% | 0.016 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -63 | -38.6 | 173.6 | -80 | -58.2 | 0 | 0 | 0 | 111.8 | L332 P333 Y336 P344 F347 V484 G485 G491 I492 | L332-Y488 HydrophobicContact CB-CD2 3.89Å; L332-Y488 HydrophobicContact CB-CE2 4.24Å; P333-Y488 HydrophobicContact CG-CE2 4.16Å; Y336-Y488 HydrophobicContact CD1-CD1 4.35Å; Y336-Y488 HydrophobicContact CD1-CE1 4.22Å; Y336-Y488 AromaticContact CD2-CD1 3.5Å; Y336-Y488 HydrophobicContact CD2-CD1 3.5Å; Y336-Y488 VanDerWaalsContact CD2-CD1 3.5Å; Y336-Y488 HydrophobicContact CD2-CE1 4.16Å; Y336-Y488 HydrophobicContact CD2-CG 4.47Å; Y336-Y488 HydrophobicContact CE2-CD1 4.22Å; Y336-Y488 AromaticContact CG-CD1 3.57Å; Y336-Y488 HydrophobicContact CG-CD1 3.57Å; Y336-Y488 AromaticContact CG-CE1 3.86Å; Y336-Y488 HydrophobicContact CG-CE1 3.86Å; P344-Y488 HydrophobicContact CB-CE1 4.13Å; P344-Y488 PolarHBondContact O-OH 2.85Å; F347-Y488 HydrophobicContact CB-CE1 4.18Å; F347-Y488 AromaticContact CD1-CD1 3.57Å; F347-Y488 HydrophobicContact CD1-CD1 3.57Å; F347-Y488 AromaticContact CD1-CE1 3.47Å; F347-Y488 HydrophobicContact CD1-CE1 3.47Å; F347-Y488 VanDerWaalsContact CD1-CE1 3.47Å; F347-Y488 HydrophobicContact CD1-CG 4.45Å; F347-Y488 AromaticContact CE1-CD1 3.8Å; F347-Y488 HydrophobicContact CE1-CD1 3.8Å; F347-Y488 HydrophobicContact CE1-CE1 4.17Å; F347-Y488 HydrophobicContact CE1-CG 4.37Å; F347-Y488 HydrophobicContact CG-CD1 4.3Å; F347-Y488 HydrophobicContact CG-CE1 4.06Å; V484-Y488 HydrophobicContact CG1-CD2 3.61Å; V484-Y488 HydrophobicContact CG1-CE2 3.46Å; V484-Y488 VanDerWaalsContact CG1-CE2 3.46Å; V484-Y488 VanDerWaalsContact O-CD2 3.3Å; V484-Y488 WeakPolarHBondContact O-CD2 3.49Å; V484-Y488 PolarHBondContact O-N 2.97Å; G485-Y488 PolarHBondContact O-N 2.91Å; Y488-G491 PolarHBondContact O-N 3.27Å; Y488-I492 WeakPolarHBondContact O-CG1 3.37Å; Y488-I492 PolarHBondContact O-N 3.15Å |
| 489 | G | 95.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -57.2 | -49.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y130 G485 D486 S487 G491 I492 V493 | Y130-G489 PolarHBondContact OH-N 2.8Å; G485-G489 PolarHBondContact O-N 3.26Å; D486-G489 PolarHBondContact O-N 3.45Å; S487-G489 VanDerWaalsContact C-N 3.3Å; S487-G489 PolarHBondContact O-N 2.81Å; G489-G491 VanDerWaalsContact C-N 3.3Å; G489-G491 PolarHBondContact O-N 3.01Å; G489-I492 PolarHBondContact O-N 3.3Å; G489-V493 VanDerWaalsContact O-CB 3.31Å; G489-V493 WeakPolarHBondContact O-CB 3.38Å; G489-V493 WeakPolarHBondContact O-CG2 3.29Å; G489-V493 PolarHBondContact O-N 3.33Å |
| 490 | A | 94.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -58.3 | -41.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L375 V389 L390 D486 S487 Y494 | L375-A490 HydrophobicContact CD1-CB 4.21Å; V389-A490 HydrophobicContact CB-CB 4.32Å; V389-A490 HydrophobicContact CG1-CB 4.02Å; L390-A490 HydrophobicContact CD2-CB 4.02Å; L390-A490 HydrophobicContact CG-CB 4.48Å; D486-A490 PolarHBondContact O-N 2.96Å; S487-A490 PolarHBondContact O-N 3.34Å; A490-Y494 WeakPolarHBondContact O-CB 3Å; A490-Y494 PolarHBondContact O-N 3.48Å |
| 491 | G | 95.8 | Very high | 93.2 | Very high | 4 Ų | 4 | 22.8 Ų | 22.8 | 4% | 0.041 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64 | -43.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114 | S487 Y488 G489 H495 | S487-G491 PolarHBondContact O-N 2.77Å; S487-G491 VanDerWaalsContact O-N 3.09Å; Y488-G491 PolarHBondContact O-N 3.27Å; G489-G491 VanDerWaalsContact C-N 3.3Å; G489-G491 PolarHBondContact O-N 3.01Å; G491-H495 WeakPolarHBondContact O-CB 3.27Å; G491-H495 PolarHBondContact O-N 3.02Å |
| 492 | I | 96.4 | Very high | 92.6 | Very high | 4 Ų | 4 | 27.2 Ų | 27.2 | 2% | 0.021 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -66.9 | -48.8 | 178 | -71.7 | 161 | 0 | 0 | 0 | 110.4 | Y130 I335 Y336 I339 T340 Y488 G489 Y494 H495 L496 | Y130-I492 HydrophobicContact CD2-CD1 3.82Å; Y130-I492 HydrophobicContact CE2-CD1 3.37Å; I335-I492 HydrophobicContact CG2-CD1 4.09Å; Y336-I492 HydrophobicContact CD2-CD1 4.37Å; Y336-I492 HydrophobicContact CD2-CG1 3.83Å; I339-I492 HydrophobicContact CD1-CD1 4.39Å; I339-I492 HydrophobicContact CD1-CG2 3.98Å; I339-I492 HydrophobicContact CG2-CG2 3.94Å; T340-I492 HydrophobicContact CG2-CG1 4.08Å; Y488-I492 WeakPolarHBondContact O-CG1 3.37Å; Y488-I492 PolarHBondContact O-N 3.15Å; G489-I492 PolarHBondContact O-N 3.3Å; I492-Y494 VanDerWaalsContact C-N 3.29Å; I492-Y494 PolarHBondContact O-N 3.39Å; I492-H495 PolarHBondContact O-N 3.08Å; I492-H495 VanDerWaalsContact O-N 3.16Å; I492-L496 HydrophobicContact CG2-CD1 3.9Å; I492-L496 HydrophobicContact CG2-CG 4.43Å; I492-L496 WeakPolarHBondContact O-CG 3.37Å; I492-L496 PolarHBondContact O-N 3.38Å |
| 493 | V | 93.8 | Very high | 92 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.006 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.4 | -40.2 | -179.4 | 173 | 0 | 0 | 0 | 0 | 110.3 | L123 R126 A127 V385 V389 G489 L496 S497 | L123-V493 HydrophobicContact CD1-CG1 3.25Å; L123-V493 HydrophobicContact CG-CG1 3.9Å; R126-V493 HydrophobicContact CB-CG2 4.31Å; A127-V493 HydrophobicContact CB-CG2 4Å; V385-V493 HydrophobicContact CG1-CB 4.32Å; V385-V493 HydrophobicContact CG1-CG1 4.01Å; V389-V493 HydrophobicContact CG2-CB 4.17Å; V389-V493 HydrophobicContact CG2-CG1 3.8Å; V389-V493 HydrophobicContact CG2-CG2 4.48Å; G489-V493 VanDerWaalsContact O-CB 3.31Å; G489-V493 WeakPolarHBondContact O-CB 3.38Å; G489-V493 WeakPolarHBondContact O-CG2 3.29Å; G489-V493 PolarHBondContact O-N 3.33Å; V493-L496 PolarHBondContact O-N 3.01Å; V493-S497 VanDerWaalsContact O-CB 3.23Å; V493-S497 WeakPolarHBondContact O-CB 3.33Å; V493-S497 PolarHBondContact O-N 3.34Å; V493-S497 PolarHBondContact O-OG 3.07Å |
| 494 | Y | 94.3 | Very high | 91.2 | Very high | 57 Ų | 57 | 36.4 Ų | 36.4 | 22% | 0.224 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.4 | -47.4 | 173.1 | 172.9 | -119.4 | 0 | 0 | 0 | 112 | I381 D382 V385 A490 I492 L496 S497 K498 L501 | I381-Y494 HydrophobicContact CG1-CD1 4.43Å; I381-Y494 HydrophobicContact CG2-CD1 4.17Å; I381-Y494 HydrophobicContact CG2-CD2 4.34Å; I381-Y494 HydrophobicContact CG2-CG 3.85Å; D382-Y494 HydrophobicContact CB-CD2 3.89Å; D382-Y494 HydrophobicContact CB-CE2 3.63Å; V385-Y494 HydrophobicContact CG2-CD2 4.08Å; A490-Y494 WeakPolarHBondContact O-CB 3Å; A490-Y494 PolarHBondContact O-N 3.48Å; I492-Y494 VanDerWaalsContact C-N 3.29Å; I492-Y494 PolarHBondContact O-N 3.39Å; Y494-L496 VanDerWaalsContact C-N 3.34Å; Y494-L496 PolarHBondContact O-N 2.92Å; Y494-S497 PolarHBondContact O-N 3.1Å; Y494-K498 PolarHBondContact O-N 2.95Å; Y494-L501 HydrophobicContact CD2-CD1 3.91Å; Y494-L501 HydrophobicContact CE2-CD1 4.09Å |
| 495 | H | 94.4 | Very high | 90.4 | Very high | 72 Ų | 72 | 39.7 Ų | 39.7 | 33% | 0.333 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -58.8 | -44.9 | 178.5 | 179.7 | 66.9 | 0 | 0 | 0 | 112.4 | T340 G491 I492 S497 | T340-H495 HydrophobicContact CG2-CB 3.88Å; G491-H495 WeakPolarHBondContact O-CB 3.27Å; G491-H495 PolarHBondContact O-N 3.02Å; I492-H495 PolarHBondContact O-N 3.08Å; I492-H495 VanDerWaalsContact O-N 3.16Å; H495-S497 VanDerWaalsContact C-N 3.31Å; H495-S497 PolarHBondContact O-N 3.08Å |
| 496 | L | 92.8 | Very high | 89.6 | Confident | 76 Ų | 76 | 42.1 Ų | 42.1 | 40% | 0.398 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -71.9 | -24.3 | -179.8 | -67.1 | 176 | 0 | 0 | 0 | 113.4 | R126 I339 I492 V493 Y494 | R126-L496 PolarHBondContact NH1-O 3.26Å; I339-L496 HydrophobicContact CG2-CD1 4.25Å; I339-L496 HydrophobicContact CG2-CD2 3.95Å; I339-L496 HydrophobicContact CG2-CG 4.17Å; I492-L496 HydrophobicContact CG2-CD1 3.9Å; I492-L496 HydrophobicContact CG2-CG 4.43Å; I492-L496 WeakPolarHBondContact O-CG 3.37Å; I492-L496 PolarHBondContact O-N 3.38Å; V493-L496 PolarHBondContact O-N 3.01Å; Y494-L496 VanDerWaalsContact C-N 3.34Å; Y494-L496 PolarHBondContact O-N 2.92Å |
| 497 | S | 89.5 | Confident | 88.6 | Confident | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.014 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -101.3 | 2.4 | -176.6 | -44.8 | 0 | 0 | 0 | 0 | 113.1 | L123 R126 V493 Y494 H495 A499 E500 L501 | L123-S497 WeakPolarHBondContact CD1-OG 3.39Å; R126-S497 VanDerWaalsContact NH1-CA 3.34Å; R126-S497 PolarHBondContact NH1-OG 2.68Å; V493-S497 VanDerWaalsContact O-CB 3.23Å; V493-S497 WeakPolarHBondContact O-CB 3.33Å; V493-S497 PolarHBondContact O-N 3.34Å; V493-S497 PolarHBondContact O-OG 3.07Å; Y494-S497 PolarHBondContact O-N 3.1Å; H495-S497 VanDerWaalsContact C-N 3.31Å; H495-S497 PolarHBondContact O-N 3.08Å; S497-A499 PolarHBondContact O-N 2.97Å; S497-E500 PolarHBondContact O-N 2.95Å; S497-E500 VanDerWaalsContact O-N 3.14Å; S497-L501 WeakPolarHBondContact O-CG 3.37Å; S497-L501 PolarHBondContact O-N 2.87Å |
| 498 | K | 88.4 | Confident | 87.6 | Confident | 95 Ų | 95 | 50.4 Ų | 50.4 | 41% | 0.413 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -57.6 | -46.8 | -172.9 | -173.3 | 173.5 | 171.5 | 178.4 | 0 | 113.2 | Y494 E500 L501 E502 | Y494-K498 PolarHBondContact O-N 2.95Å; K498-E500 VanDerWaalsContact C-N 3.3Å; K498-E500 PolarHBondContact O-N 3.48Å; K498-L501 PolarHBondContact O-N 3.19Å; K498-E502 WeakPolarHBondContact CE-OE1 3.44Å; K498-E502 IonicContact NZ-OE1 3.87Å; K498-E502 WeakPolarHBondContact O-CG 3.37Å; K498-E502 PolarHBondContact O-N 3.48Å |
| 499 | A | 85.2 | Confident | 86.5 | Confident | 73 Ų | 73 | 52.6 Ų | 52.6 | 60% | 0.603 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -63.5 | -36 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | S497 E503 | S497-A499 PolarHBondContact O-N 2.97Å; A499-E503 WeakPolarHBondContact O-CB 3.49Å; A499-E503 PolarHBondContact O-N 2.99Å |
| 500 | E | 83.5 | Confident | 85.5 | Confident | 43 Ų | 43 | 59.3 Ų | 59.3 | 20% | 0.201 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -71.9 | -37.5 | 178.5 | -65.1 | 169.9 | -179.2 | 0 | 0 | 111.2 | R122 R126 S497 K498 E503 L504 | R122-E500 WeakPolarHBondContact CD-OE1 3.41Å; R122-E500 IonicContact CZ-OE1 2.89Å; R122-E500 IonicContact NE-OE1 3.43Å; R122-E500 IonicContact NH1-OE1 3.88Å; R122-E500 PolarHBondContact NH1-OE1 3.25Å; R126-E500 IonicContact CZ-OE1 3.26Å; R126-E500 IonicContact CZ-OE2 2.76Å; R126-E500 IonicContact NH1-OE1 3.23Å; R126-E500 IonicContact NH1-OE2 2.98Å; R126-E500 PolarHBondContact NH1-OE2 2.92Å; R126-E500 IonicContact NH2-OE1 3.97Å; R126-E500 PolarHBondContact NH2-OE1 3.4Å; R126-E500 IonicContact NH2-OE2 3.92Å; S497-E500 PolarHBondContact O-N 2.95Å; S497-E500 VanDerWaalsContact O-N 3.14Å; K498-E500 VanDerWaalsContact C-N 3.3Å; K498-E500 PolarHBondContact O-N 3.48Å; E500-E503 PolarHBondContact O-N 3.2Å; E500-L504 WeakPolarHBondContact O-CG 3.47Å; E500-L504 PolarHBondContact O-N 2.68Å |
| 501 | L | 83.1 | Confident | 84.4 | Confident | 16 Ų | 16 | 62.6 Ų | 62.6 | 8% | 0.084 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66 | -42.3 | 174.9 | -67.5 | 167.8 | 0 | 0 | 0 | 111.4 | D382 R384 V385 Y494 S497 K498 E503 L504 D505 | D382-L501 HydrophobicContact CB-CD1 4.31Å; R384-L501 HydrophobicContact CB-CD2 4.49Å; V385-L501 HydrophobicContact CG2-CD1 3.7Å; Y494-L501 HydrophobicContact CD2-CD1 3.91Å; Y494-L501 HydrophobicContact CE2-CD1 4.09Å; S497-L501 WeakPolarHBondContact O-CG 3.37Å; S497-L501 PolarHBondContact O-N 2.87Å; K498-L501 PolarHBondContact O-N 3.19Å; L501-E503 VanDerWaalsContact C-N 3.33Å; L501-E503 PolarHBondContact O-N 2.76Å; L501-L504 PolarHBondContact O-N 2.74Å; L501-D505 VanDerWaalsContact O-CG 3.22Å; L501-D505 PolarHBondContact O-N 2.97Å |
| 502 | E | 85.8 | Confident | 83.2 | Confident | 106 Ų | 106 | 66.7 Ų | 66.7 | 50% | 0.495 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.8 | -37.6 | 175.6 | -72.8 | 171.8 | 179.3 | 0 | 0 | 111.9 | K498 D505 A506 | K498-E502 WeakPolarHBondContact CE-OE1 3.44Å; K498-E502 IonicContact NZ-OE1 3.87Å; K498-E502 WeakPolarHBondContact O-CG 3.37Å; K498-E502 PolarHBondContact O-N 3.48Å; E502-D505 PolarHBondContact O-N 2.74Å; E502-A506 WeakPolarHBondContact O-CB 3.35Å; E502-A506 PolarHBondContact O-N 3.29Å |
| 503 | E | 83 | Confident | 82.1 | Confident | 117 Ų | 117 | 71.2 Ų | 71.2 | 55% | 0.547 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -66.3 | -42.7 | 174.5 | -173.3 | 177.2 | -177.3 | 0 | 0 | 112.1 | A499 E500 L501 D505 A506 Q507 | A499-E503 WeakPolarHBondContact O-CB 3.49Å; A499-E503 PolarHBondContact O-N 2.99Å; E500-E503 PolarHBondContact O-N 3.2Å; L501-E503 VanDerWaalsContact C-N 3.33Å; L501-E503 PolarHBondContact O-N 2.76Å; E503-D505 VanDerWaalsContact C-N 3.34Å; E503-D505 PolarHBondContact O-N 2.75Å; E503-A506 PolarHBondContact O-N 3.45Å; E503-Q507 WeakPolarHBondContact O-CG 3.47Å; E503-Q507 PolarHBondContact O-N 3.03Å |
| 504 | L | 77.4 | Confident | 81.1 | Confident | 83 Ų | 83 | 76.3 Ų | 76.3 | 44% | 0.435 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -60.4 | -44.3 | 174.7 | -74.3 | 168 | 0 | 0 | 0 | 111.4 | E500 L501 A506 Q507 T508 | E500-L504 WeakPolarHBondContact O-CG 3.47Å; E500-L504 PolarHBondContact O-N 2.68Å; L501-L504 PolarHBondContact O-N 2.74Å; L504-A506 VanDerWaalsContact C-N 3.32Å; L504-A506 PolarHBondContact O-N 3.29Å; L504-Q507 PolarHBondContact O-N 3.34Å; L504-T508 PolarHBondContact O-N 3.48Å; L504-T508 PolarHBondContact O-OG1 2.89Å; L504-T508 VanDerWaalsContact O-OG1 3.1Å |
| 505 | D | 79.4 | Confident | 80 | Confident | 75 Ų | 75 | 78.3 Ų | 78.3 | 40% | 0.401 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.8 | -40 | 177.7 | -66.7 | -22.8 | 0 | 0 | 0 | 111.4 | R384 L501 E502 E503 Q507 T508 A509 | R384-D505 IonicContact CZ-OD1 2.97Å; R384-D505 VanDerWaalsContact CZ-OD1 3.23Å; R384-D505 IonicContact CZ-OD2 3.94Å; R384-D505 IonicContact NH1-OD1 3.92Å; R384-D505 PolarHBondContact NH1-OD1 3.39Å; R384-D505 IonicContact NH1-OD2 3.45Å; R384-D505 IonicContact NH2-OD1 2.75Å; R384-D505 PolarHBondContact NH2-OD1 2.98Å; R384-D505 IonicContact NH2-OD2 3.29Å; R384-D505 PolarHBondContact NH2-OD2 2.84Å; L501-D505 VanDerWaalsContact O-CG 3.22Å; L501-D505 PolarHBondContact O-N 2.97Å; E502-D505 PolarHBondContact O-N 2.74Å; E503-D505 VanDerWaalsContact C-N 3.34Å; E503-D505 PolarHBondContact O-N 2.75Å; D505-Q507 VanDerWaalsContact C-N 3.34Å; D505-Q507 PolarHBondContact O-N 2.97Å; D505-T508 PolarHBondContact O-N 2.8Å; D505-A509 WeakPolarHBondContact O-CB 3.42Å; D505-A509 PolarHBondContact O-N 3.17Å |
| 506 | A | 79.2 | Confident | 78.9 | Confident | 50 Ų | 50 | 81.3 Ų | 81.3 | 41% | 0.413 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.8 | -33.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | E502 E503 L504 K510 | E502-A506 WeakPolarHBondContact O-CB 3.35Å; E502-A506 PolarHBondContact O-N 3.29Å; E503-A506 PolarHBondContact O-N 3.45Å; L504-A506 VanDerWaalsContact C-N 3.32Å; L504-A506 PolarHBondContact O-N 3.29Å; A506-K510 VanDerWaalsContact O-CG 3.31Å; A506-K510 WeakPolarHBondContact O-CG 3.36Å; A506-K510 PolarHBondContact O-N 3.32Å |
| 507 | Q | 75.8 | Confident | 77.7 | Confident | 105 Ų | 105 | 83.8 Ų | 83.8 | 49% | 0.491 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -72.3 | -43.1 | 175.1 | -72.2 | 176.7 | 13.9 | 0 | 0 | 111.7 | E503 L504 D505 K510 S511 | E503-Q507 WeakPolarHBondContact O-CG 3.47Å; E503-Q507 PolarHBondContact O-N 3.03Å; L504-Q507 PolarHBondContact O-N 3.34Å; D505-Q507 VanDerWaalsContact C-N 3.34Å; D505-Q507 PolarHBondContact O-N 2.97Å; Q507-K510 PolarHBondContact O-N 2.93Å; Q507-S511 PolarHBondContact O-N 2.97Å |
| 508 | T | 75.1 | Confident | 76.8 | Confident | 76 Ų | 76 | 87.8 Ų | 87.8 | 47% | 0.466 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.5 | -46.3 | 175.7 | -56.4 | 0 | 0 | 0 | 0 | 110.9 | L504 D505 K510 S511 D512 | L504-T508 PolarHBondContact O-N 3.48Å; L504-T508 PolarHBondContact O-OG1 2.89Å; L504-T508 VanDerWaalsContact O-OG1 3.1Å; D505-T508 PolarHBondContact O-N 2.8Å; T508-K510 VanDerWaalsContact C-N 3.33Å; T508-K510 PolarHBondContact O-N 2.99Å; T508-S511 WeakPolarHBondContact O-CB 3.22Å; T508-S511 PolarHBondContact O-N 3.49Å; T508-D512 PolarHBondContact O-N 3.01Å |
| 509 | A | 74.4 | Confident | 76 | Confident | 49 Ų | 49 | 89.6 Ų | 89.6 | 41% | 0.405 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -58.4 | -43.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | D505 S511 D512 D513 | D505-A509 WeakPolarHBondContact O-CB 3.42Å; D505-A509 PolarHBondContact O-N 3.17Å; A509-S511 VanDerWaalsContact C-N 3.34Å; A509-S511 PolarHBondContact O-N 2.85Å; A509-D512 PolarHBondContact O-N 2.97Å; A509-D513 WeakPolarHBondContact O-CB 3.33Å; A509-D513 VanDerWaalsContact O-CG 3.25Å; A509-D513 PolarHBondContact O-N 2.83Å |
| 510 | K | 74.8 | Confident | 75.2 | Confident | 142 Ų | 142 | 89.3 Ų | 89.3 | 62% | 0.617 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -63.6 | -37.2 | 174.8 | -77 | 176.4 | -178.6 | 178.6 | 0 | 112.9 | A506 Q507 T508 I514 | A506-K510 VanDerWaalsContact O-CG 3.31Å; A506-K510 WeakPolarHBondContact O-CG 3.36Å; A506-K510 PolarHBondContact O-N 3.32Å; Q507-K510 PolarHBondContact O-N 2.93Å; T508-K510 VanDerWaalsContact C-N 3.33Å; T508-K510 PolarHBondContact O-N 2.99Å; K510-I514 WeakPolarHBondContact O-CB 3.4Å; K510-I514 WeakPolarHBondContact O-CD1 3.48Å; K510-I514 WeakPolarHBondContact O-CG1 3.29Å; K510-I514 PolarHBondContact O-N 3.11Å |
| 511 | S | 70.1 | Confident | 74.4 | Confident | 68 Ų | 68 | 93.2 Ų | 93.2 | 48% | 0.476 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.5 | -43.1 | 177.2 | -169 | 0 | 0 | 0 | 0 | 111.4 | Q507 T508 A509 I514 E515 | Q507-S511 PolarHBondContact O-N 2.97Å; T508-S511 WeakPolarHBondContact O-CB 3.22Å; T508-S511 PolarHBondContact O-N 3.49Å; A509-S511 VanDerWaalsContact C-N 3.34Å; A509-S511 PolarHBondContact O-N 2.85Å; S511-I514 PolarHBondContact O-N 3.37Å; S511-E515 WeakPolarHBondContact O-CB 3.42Å; S511-E515 PolarHBondContact O-N 3.4Å |
| 512 | D | 71.6 | Confident | 73.6 | Confident | 90 Ų | 90 | 95.6 Ų | 95.6 | 48% | 0.481 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.7 | -40.8 | 177.7 | -68.1 | -12.5 | 0 | 0 | 0 | 110.9 | T508 A509 E515 M516 | T508-D512 PolarHBondContact O-N 3.01Å; A509-D512 PolarHBondContact O-N 2.97Å; D512-E515 PolarHBondContact O-N 3.21Å; D512-M516 WeakPolarHBondContact O-CB 3.36Å; D512-M516 PolarHBondContact O-N 3.33Å |
| 513 | D | 73.3 | Confident | 72.9 | Confident | 99 Ų | 99 | 97.9 Ų | 97.9 | 53% | 0.529 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.8 | -45.1 | 174.1 | -74.8 | -19.6 | 0 | 0 | 0 | 111.6 | A509 M516 M517 | A509-D513 WeakPolarHBondContact O-CB 3.33Å; A509-D513 VanDerWaalsContact O-CG 3.25Å; A509-D513 PolarHBondContact O-N 2.83Å; D513-M516 PolarHBondContact O-N 3.17Å; D513-M517 WeakPolarHBondContact O-CB 3.05Å; D513-M517 VanDerWaalsContact O-CG 3.27Å; D513-M517 WeakPolarHBondContact O-CG 3.32Å; D513-M517 PolarHBondContact O-N 3.07Å |
| 514 | I | 72.9 | Confident | 72.2 | Confident | 109 Ų | 109 | 99.9 Ų | 99.9 | 56% | 0.559 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.3 | -42.5 | 176.5 | -70.2 | 164.6 | 0 | 0 | 0 | 110.7 | K510 S511 M517 T518 | K510-I514 WeakPolarHBondContact O-CB 3.4Å; K510-I514 WeakPolarHBondContact O-CD1 3.48Å; K510-I514 WeakPolarHBondContact O-CG1 3.29Å; K510-I514 PolarHBondContact O-N 3.11Å; S511-I514 PolarHBondContact O-N 3.37Å; I514-M517 PolarHBondContact O-N 2.95Å; I514-T518 WeakPolarHBondContact O-CB 3.35Å; I514-T518 PolarHBondContact O-N 3.45Å; I514-T518 PolarHBondContact O-OG1 3.45Å |
| 515 | E | 71.3 | Confident | 71.8 | Confident | 99 Ų | 99 | 100 Ų | 100 | 46% | 0.463 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.8 | -40.7 | 177.7 | -165.1 | -175.8 | 153.3 | 0 | 0 | 111.4 | S511 D512 T518 K519 | S511-E515 WeakPolarHBondContact O-CB 3.42Å; S511-E515 PolarHBondContact O-N 3.4Å; D512-E515 PolarHBondContact O-N 3.21Å; E515-T518 PolarHBondContact O-N 2.9Å; E515-K519 PolarHBondContact O-N 3.32Å; E515-K519 VanDerWaalsContact OE1-CE 3.31Å; E515-K519 WeakPolarHBondContact OE1-CE 3.38Å; E515-K519 IonicContact OE1-NZ 3.83Å; E515-K519 PolarHBondContact OE1-NZ 3.04Å |
| 516 | M | 70 | Confident | 71.3 | Confident | 134 Ų | 134 | 100.9 Ų | 100.9 | 66% | 0.66 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.6 | -41.8 | 177.2 | -157 | -174.8 | -132.1 | 0 | 0 | 111.7 | D512 D513 K519 T520 | D512-M516 WeakPolarHBondContact O-CB 3.36Å; D512-M516 PolarHBondContact O-N 3.33Å; D513-M516 PolarHBondContact O-N 3.17Å; M516-K519 PolarHBondContact O-N 3.25Å; M516-T520 WeakPolarHBondContact O-CB 3.39Å; M516-T520 PolarHBondContact O-N 2.96Å; M516-T520 PolarHBondContact O-OG1 3.43Å |
| 517 | M | 68.3 | Low | 70.7 | Confident | 128 Ų | 128 | 102.8 Ų | 102.8 | 63% | 0.631 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.3 | -42.2 | 173.3 | -72.6 | -179.6 | 77.7 | 0 | 0 | 111.5 | D513 I514 T520 Q521 | D513-M517 WeakPolarHBondContact O-CB 3.05Å; D513-M517 VanDerWaalsContact O-CG 3.27Å; D513-M517 WeakPolarHBondContact O-CG 3.32Å; D513-M517 PolarHBondContact O-N 3.07Å; I514-M517 PolarHBondContact O-N 2.95Å; M517-T520 PolarHBondContact O-N 2.92Å; M517-Q521 WeakPolarHBondContact O-CB 3.24Å; M517-Q521 PolarHBondContact O-N 2.95Å |
| 518 | T | 70.9 | Confident | 70.4 | Confident | 86 Ų | 86 | 103.8 Ų | 103.8 | 53% | 0.528 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.4 | -42.3 | 179.4 | -50.4 | 0 | 0 | 0 | 0 | 111.8 | I514 E515 T520 Q521 S522 | I514-T518 WeakPolarHBondContact O-CB 3.35Å; I514-T518 PolarHBondContact O-N 3.45Å; I514-T518 PolarHBondContact O-OG1 3.45Å; E515-T518 PolarHBondContact O-N 2.9Å; T518-T520 VanDerWaalsContact C-N 3.35Å; T518-Q521 PolarHBondContact O-N 3.46Å; T518-S522 WeakPolarHBondContact O-CB 3.29Å; T518-S522 PolarHBondContact O-N 2.91Å |
| 519 | K | 70.5 | Confident | 69.9 | Low | 133 Ų | 133 | 104.3 Ų | 104.3 | 58% | 0.578 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.6 | -40.1 | 173.7 | -78.5 | 177.5 | -174.9 | 159.5 | 0 | 112.2 | E515 M516 S522 Y523 | E515-K519 PolarHBondContact O-N 3.32Å; E515-K519 VanDerWaalsContact OE1-CE 3.31Å; E515-K519 WeakPolarHBondContact OE1-CE 3.38Å; E515-K519 IonicContact OE1-NZ 3.83Å; E515-K519 PolarHBondContact OE1-NZ 3.04Å; M516-K519 PolarHBondContact O-N 3.25Å; K519-S522 PolarHBondContact O-N 3.33Å; K519-Y523 WeakPolarHBondContact O-CB 3.19Å; K519-Y523 PolarHBondContact O-N 2.93Å |
| 520 | T | 69.6 | Low | 69.3 | Low | 68 Ų | 68 | 108.2 Ų | 108.2 | 42% | 0.417 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.4 | -44 | 177.4 | -54.5 | 0 | 0 | 0 | 0 | 110.6 | M516 M517 T518 Y523 Y524 | M516-T520 WeakPolarHBondContact O-CB 3.39Å; M516-T520 PolarHBondContact O-N 2.96Å; M516-T520 PolarHBondContact O-OG1 3.43Å; M517-T520 PolarHBondContact O-N 2.92Å; T518-T520 VanDerWaalsContact C-N 3.35Å; T520-Y523 WeakPolarHBondContact O-CB 3.42Å; T520-Y523 PolarHBondContact O-N 3.35Å; T520-Y524 HydrophobicContact CG2-CD2 3.85Å; T520-Y524 HydrophobicContact CG2-CE2 3.74Å; T520-Y524 VanDerWaalsContact O-CD2 3.26Å; T520-Y524 WeakPolarHBondContact O-CD2 3.4Å; T520-Y524 PolarHBondContact O-N 2.83Å |
| 521 | Q | 65.7 | Low | 68.5 | Low | 124 Ų | 124 | 107.7 Ų | 107.7 | 58% | 0.579 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.9 | -44.8 | 177.2 | -160.3 | 118.5 | 2.8 | 0 | 0 | 112 | M517 T518 Y523 Y524 D525 | M517-Q521 WeakPolarHBondContact O-CB 3.24Å; M517-Q521 PolarHBondContact O-N 2.95Å; T518-Q521 PolarHBondContact O-N 3.46Å; Q521-Y523 VanDerWaalsContact C-N 3.29Å; Q521-Y523 PolarHBondContact O-N 3.03Å; Q521-Y524 PolarHBondContact O-N 3.14Å; Q521-D525 PolarHBondContact O-N 3.49Å |
| 522 | S | 66.4 | Low | 67.9 | Low | 66 Ų | 66 | 109.2 Ų | 109.2 | 46% | 0.462 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -57.7 | -41.2 | 173.5 | -178.1 | 0 | 0 | 0 | 0 | 112.2 | T518 K519 D525 D526 | T518-S522 WeakPolarHBondContact O-CB 3.29Å; T518-S522 PolarHBondContact O-N 2.91Å; K519-S522 PolarHBondContact O-N 3.33Å; S522-D525 PolarHBondContact O-N 3.25Å; S522-D526 WeakPolarHBondContact O-CB 3.43Å; S522-D526 PolarHBondContact O-N 3.21Å |
| 523 | Y | 70.7 | Confident | 67.2 | Low | 154 Ų | 154 | 110.4 Ų | 110.4 | 60% | 0.604 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -66.8 | -40.2 | 178 | -173.2 | -97.1 | 0 | 0 | 0 | 112.4 | K519 T520 Q521 M527 | K519-Y523 WeakPolarHBondContact O-CB 3.19Å; K519-Y523 PolarHBondContact O-N 2.93Å; T520-Y523 WeakPolarHBondContact O-CB 3.42Å; T520-Y523 PolarHBondContact O-N 3.35Å; Q521-Y523 VanDerWaalsContact C-N 3.29Å; Q521-Y523 PolarHBondContact O-N 3.03Å; Y523-M527 HydrophobicContact CD1-SD 4.47Å; Y523-M527 HydrophobicContact CE1-CG 4.2Å; Y523-M527 HydrophobicContact CE1-SD 3.79Å; Y523-M527 PolarHBondContact O-N 3.47Å |
| 524 | Y | 68.4 | Low | 66.3 | Low | 159 Ų | 159 | 111.2 Ų | 111.2 | 62% | 0.624 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66.5 | -40.8 | 174.6 | -87.7 | -75.7 | 0 | 0 | 0 | 112.4 | T520 Q521 M527 K528 | T520-Y524 HydrophobicContact CG2-CD2 3.85Å; T520-Y524 HydrophobicContact CG2-CE2 3.74Å; T520-Y524 VanDerWaalsContact O-CD2 3.26Å; T520-Y524 WeakPolarHBondContact O-CD2 3.4Å; T520-Y524 PolarHBondContact O-N 2.83Å; Q521-Y524 PolarHBondContact O-N 3.14Å; Y524-M527 PolarHBondContact O-N 3.27Å; Y524-K528 WeakPolarHBondContact O-CB 3.49Å; Y524-K528 PolarHBondContact O-N 2.9Å |
| 525 | D | 70.3 | Confident | 65.5 | Low | 87 Ų | 87 | 110 Ų | 110 | 47% | 0.465 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66.2 | -38.5 | 176.6 | -77.5 | -21.2 | 0 | 0 | 0 | 111.5 | Q521 S522 K528 N529 | Q521-D525 PolarHBondContact O-N 3.49Å; S522-D525 PolarHBondContact O-N 3.25Å; D525-K528 PolarHBondContact O-N 2.89Å; D525-N529 WeakPolarHBondContact O-CB 3.4Å; D525-N529 VanDerWaalsContact O-CG 3.28Å; D525-N529 PolarHBondContact O-N 3.08Å; D525-N529 PolarHBondContact O-ND2 3.03Å |
| 526 | D | 68.1 | Low | 64.6 | Low | 92 Ų | 92 | 112.1 Ų | 112.1 | 49% | 0.492 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.5 | -42.1 | 173.6 | -83.3 | -20.2 | 0 | 0 | 0 | 112.6 | S522 K528 N529 H530 | S522-D526 WeakPolarHBondContact O-CB 3.43Å; S522-D526 PolarHBondContact O-N 3.21Å; D526-K528 VanDerWaalsContact C-N 3.32Å; D526-K528 PolarHBondContact O-N 3.41Å; D526-N529 PolarHBondContact O-N 2.92Å; D526-H530 WeakPolarHBondContact O-CB 3.4Å; D526-H530 PolarHBondContact O-CD2 2.85Å; D526-H530 PolarHBondContact O-N 3.04Å |
| 527 | M | 66.8 | Low | 63.3 | Low | 91 Ų | 91 | 116.3 Ų | 116.3 | 45% | 0.448 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.4 | -38.7 | 174 | -81.7 | -163.7 | 87.8 | 0 | 0 | 112.1 | Y523 Y524 H530 H531 | Y523-M527 HydrophobicContact CD1-SD 4.47Å; Y523-M527 HydrophobicContact CE1-CG 4.2Å; Y523-M527 HydrophobicContact CE1-SD 3.79Å; Y523-M527 PolarHBondContact O-N 3.47Å; Y524-M527 PolarHBondContact O-N 3.27Å; M527-H530 PolarHBondContact O-N 2.93Å; M527-H531 PolarHBondContact O-N 3.06Å |
| 528 | K | 69.1 | Low | 63 | Low | 125 Ų | 125 | 115.8 Ų | 115.8 | 54% | 0.543 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -68.1 | -43.8 | 179.3 | -164.4 | -179.5 | 177.2 | -170 | 0 | 111.3 | Y524 D525 D526 H530 H531 E532 | Y524-K528 WeakPolarHBondContact O-CB 3.49Å; Y524-K528 PolarHBondContact O-N 2.9Å; D525-K528 PolarHBondContact O-N 2.89Å; D526-K528 VanDerWaalsContact C-N 3.32Å; D526-K528 PolarHBondContact O-N 3.41Å; K528-H530 VanDerWaalsContact C-N 3.32Å; K528-H530 PolarHBondContact O-N 3.2Å; K528-H531 PolarHBondContact O-N 3.19Å; K528-E532 PolarHBondContact O-N 2.68Å |
| 529 | N | 64.8 | Low | 62.6 | Low | 88 Ų | 88 | 117.3 Ų | 117.3 | 47% | 0.471 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -62.7 | -37 | 174 | -73.9 | -26.6 | 0 | 0 | 0 | 112.2 | D525 D526 N533 | D525-N529 WeakPolarHBondContact O-CB 3.4Å; D525-N529 VanDerWaalsContact O-CG 3.28Å; D525-N529 PolarHBondContact O-N 3.08Å; D525-N529 PolarHBondContact O-ND2 3.03Å; D526-N529 PolarHBondContact O-N 2.92Å; N529-N533 WeakPolarHBondContact O-CB 3.34Å; N529-N533 PolarHBondContact O-N 3.2Å |
| 530 | H | 60.8 | Low | 62.1 | Low | 131 Ų | 131 | 116.4 Ų | 116.4 | 61% | 0.606 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -66.6 | -37.2 | 173 | -97.1 | -65.8 | 0 | 0 | 0 | 113.1 | D526 M527 K528 N534 | D526-H530 WeakPolarHBondContact O-CB 3.4Å; D526-H530 PolarHBondContact O-CD2 2.85Å; D526-H530 PolarHBondContact O-N 3.04Å; M527-H530 PolarHBondContact O-N 2.93Å; K528-H530 VanDerWaalsContact C-N 3.32Å; K528-H530 PolarHBondContact O-N 3.2Å; H530-N534 PolarHBondContact O-N 2.84Å |
| 531 | H | 59 | Low | 61.7 | Low | 131 Ų | 131 | 119.3 Ų | 119.3 | 61% | 0.606 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -71.1 | -39.2 | 175.6 | -97.1 | -65 | 0 | 0 | 0 | 113.1 | M527 K528 N534 S535 | M527-H531 PolarHBondContact O-N 3.06Å; K528-H531 PolarHBondContact O-N 3.19Å; H531-N534 PolarHBondContact O-N 3.14Å; H531-S535 PolarHBondContact O-N 2.97Å; H531-S535 PolarHBondContact O-OG 3.26Å |
| 532 | E | 58.4 | Low | 61.5 | Low | 99 Ų | 99 | 119 Ų | 119 | 46% | 0.463 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -69.1 | -33.8 | 176.6 | -76.4 | -179.1 | -176.2 | 0 | 0 | 112.4 | K528 S535 N536 | K528-E532 PolarHBondContact O-N 2.68Å; E532-S535 WeakPolarHBondContact CA-OG 3.23Å; E532-S535 PolarHBondContact O-OG 3.33Å; E532-N536 PolarHBondContact O-ND2 2.84Å |
| 533 | N | 55.6 | Low | 61.1 | Low | 115 Ų | 115 | 122.5 Ų | 122.5 | 62% | 0.615 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -72.2 | -32.7 | 174.1 | -85.2 | -20.3 | 0 | 0 | 0 | 113.5 | N529 S535 | N529-N533 WeakPolarHBondContact O-CB 3.34Å; N529-N533 PolarHBondContact O-N 3.2Å; N533-S535 VanDerWaalsContact C-N 3.34Å |
| 534 | N | 55.2 | Low | 60.4 | Low | 116 Ų | 116 | 120.3 Ų | 120.3 | 62% | 0.62 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -80 | -11.8 | 176.9 | -88.8 | -5.5 | 0 | 0 | 0 | 114.2 | H530 H531 | H530-N534 PolarHBondContact O-N 2.84Å; H531-N534 PolarHBondContact O-N 3.14Å |
| 535 | S | 55.8 | Low | 59.8 | Low | 84 Ų | 84 | 117.3 Ų | 117.3 | 59% | 0.587 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -97.9 | -5.9 | 177.5 | 39.4 | 0 | 0 | 0 | 0 | 113.7 | H531 E532 N533 | H531-S535 PolarHBondContact O-N 2.97Å; H531-S535 PolarHBondContact O-OG 3.26Å; E532-S535 WeakPolarHBondContact CA-OG 3.23Å; E532-S535 PolarHBondContact O-OG 3.33Å; N533-S535 VanDerWaalsContact C-N 3.34Å |
| 536 | N | 51.9 | Low | 59 | Low | 144 Ų | 144 | 119.8 Ų | 119.8 | 77% | 0.77 | 61% | 0.605 | S | S | * | * | trans | -103.6 | 7 | 174 | -79 | -34.5 | 0 | 0 | 0 | 113.7 | E532 | E532-N536 PolarHBondContact O-ND2 2.84Š| ||
| 537 | Q | 42.1 | Very low | 58.1 | Low | 222 Ų | 222 | 122.4 Ų | 122.4 | 100% | 1.037 | 62% | 0.615 | S | S | * | * | trans | -106.6 | 0 | 162.4 | -78.8 | -174.4 | -9.3 | 0 | 0 | 108.9 |
Retrieved 537 of 537 residues in 155.2 ms
(Link to these results)