| 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 | 29.1 | Very low | 26.3 | Very low | 247 Ų | 247 | 161.4 Ų | 161.4 | 100% | 1.217 | 85% | 0.848 | S | S | * | * | 0 | 129.6 | 0 | -88.6 | -176 | -100.1 | 0 | 0 | 108.2 | |||||
| 2 | I | 25.6 | Very low | 26.3 | Very low | 162 Ų | 162 | 161.4 Ų | 161.4 | 83% | 0.831 | 85% | 0.848 | S | S | * | * | trans | -82.8 | 148.4 | -173.5 | -58.8 | 169.7 | 0 | 0 | 0 | 108.9 | ||||
| 3 | L | 25.2 | Very low | 26.5 | Very low | 159 Ų | 159 | 158.5 Ų | 158.5 | 83% | 0.832 | 83% | 0.833 | S | S | * | * | trans | 105.7 | 94.5 | 167.7 | -62.3 | 163.9 | 0 | 0 | 0 | 115.6 | ||||
| 4 | Q | 27.8 | Very low | 26.6 | Very low | 188 Ų | 188 | 158.6 Ų | 158.6 | 88% | 0.879 | 83% | 0.83 | S | S | * | * | -167.4 | 103 | 112 | -102.5 | 177.9 | -0.7 | 0 | 0 | 109.7 | S6 | Q4-S6 PolarHBondContact O-N 3.36Š| |||
| 5 | R | 23.5 | Very low | 26.7 | Very low | 255 Ų | 255 | 160.5 Ų | 160.5 | 96% | 0.962 | 83% | 0.83 | S | S | * | * | trans | -75.9 | 108.8 | 156.7 | -82.8 | 178.6 | 170.5 | 175.5 | -4 | 106.7 | ||||
| 6 | S | 27.4 | Very low | 26.9 | Very low | 105 Ų | 105 | 159.8 Ų | 159.8 | 73% | 0.734 | 83% | 0.828 | S | S | * | * | trans | -112.3 | 112.8 | 159.9 | 54.3 | 0 | 0 | 0 | 0 | 108.2 | Q4 A8 | Q4-S6 PolarHBondContact O-N 3.36Å; S6-A8 PolarHBondContact O-N 3.25Å | ||
| 7 | N | 26.3 | Very low | 27.2 | Very low | 159 Ų | 159 | 159.5 Ų | 159.5 | 85% | 0.85 | 82% | 0.819 | S | S | * | * | trans | -52 | 121.2 | 169.7 | -69.7 | -33.3 | 0 | 0 | 0 | 110.6 | ||||
| 8 | A | 25.4 | Very low | 27.9 | Very low | 82 Ų | 82 | 160.6 Ų | 160.6 | 68% | 0.678 | 82% | 0.819 | S | S | * | * | trans | -139.1 | 81.8 | 161.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | S6 L10 | S6-A8 PolarHBondContact O-N 3.25Å; A8-L10 VanDerWaalsContact C-N 3.31Å; A8-L10 PolarHBondContact O-N 3.03Å | ||
| 9 | P | 26.6 | Very low | 28.3 | Very low | 122 Ų | 122 | 157.3 Ų | 157.3 | 79% | 0.792 | 82% | 0.819 | S | S | * | * | trans | -82.5 | 82.8 | 162.4 | 33.5 | -25.6 | 0 | 0 | 0 | 107.2 | ||||
| 10 | L | 26.6 | Very low | 28.9 | Very low | 144 Ų | 144 | 154.6 Ų | 154.6 | 75% | 0.754 | 80% | 0.8 | S | S | * | * | trans | -124.3 | 8.3 | 175.9 | -96.3 | 165.8 | 0 | 0 | 0 | 113.5 | A8 | A8-L10 VanDerWaalsContact C-N 3.31Å; A8-L10 PolarHBondContact O-N 3.03Å | ||
| 11 | L | 26.2 | Very low | 29.8 | Very low | 152 Ų | 152 | 150.1 Ų | 150.1 | 80% | 0.796 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -108 | -2.7 | -177.7 | -103.3 | 152.3 | 0 | 0 | 0 | 114.9 | ||
| 12 | L | 25.5 | Very low | 30.4 | Very low | 162 Ų | 162 | 144.6 Ų | 144.6 | 85% | 0.848 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -92.8 | -9.3 | 176.3 | -146 | 73.3 | 0 | 0 | 0 | 113.8 | ||
| 13 | D | 28.8 | Very low | 31.7 | Very low | 123 Ų | 123 | 144.4 Ų | 144.4 | 66% | 0.658 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -100.3 | 1.8 | -173.1 | -134.4 | 27.1 | 0 | 0 | 0 | 114.2 | ||
| 14 | M | 28 | Very low | 33 | Very low | 161 Ų | 161 | 141.8 Ų | 141.8 | 79% | 0.793 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -98 | -17.2 | 178.2 | -92.1 | -174.3 | 54.8 | 0 | 0 | 114.7 | ||
| 15 | F | 29.2 | Very low | 34 | Very low | 187 Ų | 187 | 137 Ų | 137 | 82% | 0.82 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -94.6 | -4.2 | -178.5 | -90.8 | -76.9 | 0 | 0 | 0 | 115.1 | ||
| 16 | D | 29.5 | Very low | 35.5 | Very low | 149 Ų | 149 | 130 Ų | 130 | 80% | 0.797 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -104.8 | 13.4 | -172.7 | -114.2 | -1.2 | 0 | 0 | 0 | 115.6 | ||
| 17 | K | 31.4 | Very low | 37.1 | Very low | 155 Ų | 155 | 129.9 Ų | 129.9 | 67% | 0.674 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -104.1 | -11.6 | -173.1 | -85.7 | -174.1 | 179.1 | 172.3 | 0 | 119.6 | ||
| 18 | H | 39.3 | Very low | 38.6 | Very low | 179 Ų | 179 | 127.1 Ų | 127.1 | 83% | 0.829 | 67% | 0.67 | S | S | * | * | trans | -145.2 | 18.4 | -178.9 | -73.7 | -56.4 | 0 | 0 | 0 | 117.6 | K20 | H18-K20 VanDerWaalsContact C-N 3.31Å; H18-K20 PolarHBondContact O-N 2.85Å | ||
| 19 | A | 37 | Very low | 39.6 | Very low | 98 Ų | 98 | 128.5 Ų | 128.5 | 81% | 0.81 | 66% | 0.663 | S | S | * | * | trans | -75.7 | 89.4 | 162.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | S21 | A19-S21 PolarHBondContact O-N 3.03Š| ||
| 20 | K | 39.2 | Very low | 40.9 | Very low | 102 Ų | 102 | 125.2 Ų | 125.2 | 44% | 0.443 | 65% | 0.646 | S | S | . | * | trans | -55.6 | 123.2 | 170.4 | -72.9 | -177.5 | 170.8 | -177.4 | 0 | 107.8 | H18 Q24 E28 | H18-K20 VanDerWaalsContact C-N 3.31Å; H18-K20 PolarHBondContact O-N 2.85Å; K20-Q24 HydrophobicContact CB-CB 4.36Å; K20-E28 IonicContact NZ-OE1 3.78Å; K20-E28 PolarHBondContact NZ-OE1 2.89Å; K20-E28 IonicContact NZ-OE2 3.62Å; K20-E28 PolarHBondContact NZ-OE2 2.72Å | ||
| 21 | S | 48.2 | Very low | 41.8 | Very low | 61 Ų | 61 | 124.4 Ų | 124.4 | 43% | 0.427 | 64% | 0.636 | S | S | . | * | trans | -63 | 152 | 175.8 | 55.2 | 0 | 0 | 0 | 0 | 110.5 | A19 E23 Q24 L25 | A19-S21 PolarHBondContact O-N 3.03Å; S21-E23 PolarHBondContact O-N 2.78Å; S21-E23 VanDerWaalsContact O-N 3.07Å; S21-Q24 WeakPolarHBondContact O-CA 3.31Å; S21-Q24 WeakPolarHBondContact O-CB 3.12Å; S21-Q24 PolarHBondContact O-N 2.97Å; S21-L25 PolarHBondContact O-N 3.22Å | ||
| 22 | D | 41.7 | Very low | 42.7 | Very low | 131 Ų | 131 | 124 Ų | 124 | 70% | 0.701 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -53.8 | -30.6 | 178.1 | -69.4 | -30.5 | 0 | 0 | 0 | 112.5 | Q24 L25 L26 | D22-Q24 PolarHBondContact O-N 3.33Å; D22-L25 PolarHBondContact O-N 2.93Å; D22-L26 WeakPolarHBondContact O-CB 3.3Å; D22-L26 WeakPolarHBondContact O-CG 3.34Å; D22-L26 PolarHBondContact O-N 2.85Å |
| 23 | E | 52.4 | Low | 43.3 | Very low | 159 Ų | 159 | 121.9 Ų | 121.9 | 74% | 0.743 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -62.4 | -38.5 | 171.7 | -76.8 | -169.6 | 156.7 | 0 | 0 | 113.2 | S21 L27 | S21-E23 PolarHBondContact O-N 2.78Å; S21-E23 VanDerWaalsContact O-N 3.07Å; E23-L27 VanDerWaalsContact O-CB 3.24Å; E23-L27 WeakPolarHBondContact O-CB 3.37Å; E23-L27 PolarHBondContact O-N 3.43Å |
| 24 | Q | 53.8 | Low | 43.8 | Very low | 104 Ų | 104 | 119.1 Ų | 119.1 | 49% | 0.486 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -71.3 | -34.4 | 176 | -73.8 | -175.9 | -8.5 | 0 | 0 | 111.8 | K20 S21 D22 L27 E28 | K20-Q24 HydrophobicContact CB-CB 4.36Å; S21-Q24 WeakPolarHBondContact O-CA 3.31Å; S21-Q24 WeakPolarHBondContact O-CB 3.12Å; S21-Q24 PolarHBondContact O-N 2.97Å; D22-Q24 PolarHBondContact O-N 3.33Å; Q24-L27 PolarHBondContact O-N 2.85Å; Q24-E28 WeakPolarHBondContact O-CB 3.26Å; Q24-E28 PolarHBondContact O-N 3.37Å |
| 25 | L | 48.3 | Very low | 44.1 | Very low | 88 Ų | 88 | 114.7 Ų | 114.7 | 46% | 0.461 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -68.4 | -40.9 | 175.9 | -123.7 | 149.4 | 0 | 0 | 0 | 111 | S21 D22 E28 Q29 | S21-L25 PolarHBondContact O-N 3.22Å; D22-L25 PolarHBondContact O-N 2.93Å; L25-E28 PolarHBondContact O-N 3.41Å; L25-Q29 PolarHBondContact O-N 2.85Å |
| 26 | L | 55.5 | Low | 44.1 | Very low | 108 Ų | 108 | 116 Ų | 116 | 57% | 0.565 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -66.7 | -37.9 | 170.7 | -79.3 | 164.4 | 0 | 0 | 0 | 112.1 | D22 Q29 A30 | D22-L26 WeakPolarHBondContact O-CB 3.3Å; D22-L26 WeakPolarHBondContact O-CG 3.34Å; D22-L26 PolarHBondContact O-N 2.85Å; L26-Q29 PolarHBondContact O-N 3.19Å; L26-A30 WeakPolarHBondContact O-CB 3.17Å; L26-A30 PolarHBondContact O-N 3.4Å |
| 27 | L | 59.7 | Low | 44.2 | Very low | 101 Ų | 101 | 114.1 Ų | 114.1 | 53% | 0.529 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -69.9 | -33.6 | 175.4 | -160.6 | 79.3 | 0 | 0 | 0 | 111.5 | E23 Q24 K31 | E23-L27 VanDerWaalsContact O-CB 3.24Å; E23-L27 WeakPolarHBondContact O-CB 3.37Å; E23-L27 PolarHBondContact O-N 3.43Å; Q24-L27 PolarHBondContact O-N 2.85Å; L27-K31 WeakPolarHBondContact O-CB 3.48Å; L27-K31 WeakPolarHBondContact O-CG 3.49Å; L27-K31 PolarHBondContact O-N 3.23Å |
| 28 | E | 57.8 | Low | 44.2 | Very low | 101 Ų | 101 | 110 Ų | 110 | 47% | 0.472 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -70.7 | -40.5 | 171.2 | -94.1 | -178.4 | 172 | 0 | 0 | 111.4 | K20 Q24 L25 K31 F32 | K20-E28 IonicContact NZ-OE1 3.78Å; K20-E28 PolarHBondContact NZ-OE1 2.89Å; K20-E28 IonicContact NZ-OE2 3.62Å; K20-E28 PolarHBondContact NZ-OE2 2.72Å; Q24-E28 WeakPolarHBondContact O-CB 3.26Å; Q24-E28 PolarHBondContact O-N 3.37Å; L25-E28 PolarHBondContact O-N 3.41Å; E28-K31 CarbonylContact O-C 3.57Å; E28-K31 PolarHBondContact O-N 2.68Å; E28-F32 WeakPolarHBondContact O-CB 3.36Å; E28-F32 PolarHBondContact O-N 3.32Å |
| 29 | Q | 46.7 | Very low | 43.6 | Very low | 112 Ų | 112 | 105.5 Ų | 105.5 | 52% | 0.523 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -62.4 | -44.1 | 171.2 | -84.3 | -175.9 | -19.6 | 0 | 0 | 111.4 | L25 L26 K31 F32 I33 | L25-Q29 PolarHBondContact O-N 2.85Å; L26-Q29 PolarHBondContact O-N 3.19Å; Q29-K31 VanDerWaalsContact C-N 3.35Å; Q29-F32 PolarHBondContact O-N 3.24Å; Q29-I33 WeakPolarHBondContact O-CB 3.17Å; Q29-I33 WeakPolarHBondContact O-CD1 3.46Å; Q29-I33 WeakPolarHBondContact O-CG1 3.22Å; Q29-I33 PolarHBondContact O-N 3.44Å |
| 30 | A | 54.4 | Low | 43.2 | Very low | 53 Ų | 53 | 108.7 Ų | 108.7 | 44% | 0.438 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -64.8 | -39.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | L26 I33 S34 | L26-A30 WeakPolarHBondContact O-CB 3.17Å; L26-A30 PolarHBondContact O-N 3.4Å; A30-I33 PolarHBondContact O-N 3.13Å; A30-S34 VanDerWaalsContact O-CB 3.23Å; A30-S34 WeakPolarHBondContact O-CB 3.13Å; A30-S34 PolarHBondContact O-N 3.44Å; A30-S34 PolarHBondContact O-OG 3.08Å |
| 31 | K | 46 | Very low | 42.5 | Very low | 126 Ų | 126 | 108.5 Ų | 108.5 | 55% | 0.548 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65 | -41.3 | 173.6 | -83.4 | 177.5 | 179.1 | 179.9 | 0 | 111.4 | L27 E28 Q29 S34 S35 | L27-K31 WeakPolarHBondContact O-CB 3.48Å; L27-K31 WeakPolarHBondContact O-CG 3.49Å; L27-K31 PolarHBondContact O-N 3.23Å; E28-K31 CarbonylContact O-C 3.57Å; E28-K31 PolarHBondContact O-N 2.68Å; Q29-K31 VanDerWaalsContact C-N 3.35Å; K31-S34 WeakPolarHBondContact CA-OG 3.44Å; K31-S34 CarbonylContact O-C 3.32Å; K31-S34 PolarHBondContact O-N 3.17Å; K31-S34 PolarHBondContact O-OG 3.33Å; K31-S35 WeakPolarHBondContact O-CB 3.39Å; K31-S35 PolarHBondContact O-N 3Å; K31-S35 PolarHBondContact O-OG 2.98Å; K31-S35 VanDerWaalsContact O-OG 3.11Å |
| 32 | F | 44.3 | Very low | 41.4 | Very low | 143 Ų | 143 | 110.8 Ų | 110.8 | 63% | 0.627 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -65.7 | -41.4 | 178.5 | -171.5 | -95.8 | 0 | 0 | 0 | 111.4 | E28 Q29 S35 R36 | E28-F32 WeakPolarHBondContact O-CB 3.36Å; E28-F32 PolarHBondContact O-N 3.32Å; Q29-F32 PolarHBondContact O-N 3.24Å; F32-S35 WeakPolarHBondContact CA-OG 3.42Å; F32-S35 PolarHBondContact O-OG 3.48Å; F32-R36 PolarHBondContact O-N 3.48Å |
| 33 | I | 38.5 | Very low | 40.7 | Very low | 118 Ų | 118 | 112.1 Ų | 112.1 | 61% | 0.605 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -66.7 | -42.3 | 173.1 | -65.9 | 164.5 | 0 | 0 | 0 | 109.8 | Q29 A30 R36 | Q29-I33 WeakPolarHBondContact O-CB 3.17Å; Q29-I33 WeakPolarHBondContact O-CD1 3.46Å; Q29-I33 WeakPolarHBondContact O-CG1 3.22Å; Q29-I33 PolarHBondContact O-N 3.44Å; A30-I33 PolarHBondContact O-N 3.13Å; I33-R36 PolarHBondContact O-N 3.17Å |
| 34 | S | 38.6 | Very low | 39.5 | Very low | 65 Ų | 65 | 111.4 Ų | 111.4 | 46% | 0.455 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -70 | -32.3 | 178.4 | 78.1 | 0 | 0 | 0 | 0 | 113.4 | A30 K31 R36 C37 A38 | A30-S34 VanDerWaalsContact O-CB 3.23Å; A30-S34 WeakPolarHBondContact O-CB 3.13Å; A30-S34 PolarHBondContact O-N 3.44Å; A30-S34 PolarHBondContact O-OG 3.08Å; K31-S34 WeakPolarHBondContact CA-OG 3.44Å; K31-S34 CarbonylContact O-C 3.32Å; K31-S34 PolarHBondContact O-N 3.17Å; K31-S34 PolarHBondContact O-OG 3.33Å; S34-R36 PolarHBondContact O-N 3.08Å; S34-C37 CarbonylContact O-C 3.55Å; S34-C37 PolarHBondContact O-N 3.41Å; S34-A38 WeakPolarHBondContact O-CB 3.49Å; S34-A38 PolarHBondContact O-N 3.12Å |
| 35 | S | 34.5 | Very low | 38.1 | Very low | 68 Ų | 68 | 112.4 Ų | 112.4 | 48% | 0.476 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -70.8 | -23.3 | 179.4 | 55.9 | 0 | 0 | 0 | 0 | 111.8 | K31 F32 C37 | K31-S35 WeakPolarHBondContact O-CB 3.39Å; K31-S35 PolarHBondContact O-N 3Å; K31-S35 PolarHBondContact O-OG 2.98Å; K31-S35 VanDerWaalsContact O-OG 3.11Å; F32-S35 WeakPolarHBondContact CA-OG 3.42Å; F32-S35 PolarHBondContact O-OG 3.48Å; S35-C37 VanDerWaalsContact C-N 3.34Å |
| 36 | R | 29.2 | Very low | 36.8 | Very low | 214 Ų | 214 | 116.3 Ų | 116.3 | 81% | 0.808 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -78.1 | -19.6 | 170.5 | -139.3 | 168.3 | -172.1 | 163 | 2.1 | 113 | F32 I33 S34 | F32-R36 PolarHBondContact O-N 3.48Å; I33-R36 PolarHBondContact O-N 3.17Å; S34-R36 PolarHBondContact O-N 3.08Å |
| 37 | C | 32 | Very low | 35.4 | Very low | 110 Ų | 110 | 117.2 Ų | 117.2 | 74% | 0.743 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -92.6 | -10.7 | 171.4 | -71.3 | 0 | 0 | 0 | 0 | 113.9 | S34 S35 | S34-C37 CarbonylContact O-C 3.55Å; S34-C37 PolarHBondContact O-N 3.41Å; S35-C37 VanDerWaalsContact C-N 3.34Å |
| 38 | A | 30.1 | Very low | 33.7 | Very low | 70 Ų | 70 | 117.7 Ų | 117.7 | 58% | 0.579 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -98.8 | -1.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | S34 | S34-A38 WeakPolarHBondContact O-CB 3.49Å; S34-A38 PolarHBondContact O-N 3.12Å |
| 39 | A | 28.6 | Very low | 32.2 | Very low | 84 Ų | 84 | 118.3 Ų | 118.3 | 69% | 0.694 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -91.9 | 3.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 40 | D | 27.4 | Very low | 31.1 | Very low | 164 Ų | 164 | 116.3 Ų | 116.3 | 88% | 0.877 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -117.9 | 51.7 | 171.9 | -82.6 | -21.8 | 0 | 0 | 0 | 111.4 | ||
| 41 | S | 24.7 | Very low | 29.6 | Very low | 99 Ų | 99 | 121.2 Ų | 121.2 | 69% | 0.692 | 72% | 0.719 | S | S | * | * | trans | -166.3 | 78.7 | 161.7 | 50.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 42 | S | 25.6 | Very low | 28.5 | Very low | 109 Ų | 109 | 126.7 Ų | 126.7 | 76% | 0.762 | 74% | 0.736 | S | S | * | * | trans | -158.7 | 89.8 | 155.7 | 61 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 43 | N | 26.4 | Very low | 27.3 | Very low | 159 Ų | 159 | 131.1 Ų | 131.1 | 85% | 0.85 | 75% | 0.749 | S | S | * | * | trans | 168.6 | 89.3 | 154.3 | -86.2 | -20.5 | 0 | 0 | 0 | 105.5 | ||||
| 44 | T | 27.5 | Very low | 26.6 | Very low | 143 Ų | 143 | 134.7 Ų | 134.7 | 88% | 0.877 | 76% | 0.76 | S | S | * | * | -171.4 | 143.9 | 90.1 | 11.7 | 0 | 0 | 0 | 0 | 111 | |||||
| 45 | T | 23.2 | Very low | 25.8 | Very low | 125 Ų | 125 | 136.8 Ų | 136.8 | 77% | 0.767 | 78% | 0.775 | S | S | * | * | trans | -63.6 | 148.9 | 178.3 | 40.9 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 46 | M | 22.1 | Very low | 25.2 | Very low | 170 Ų | 170 | 141 Ų | 141 | 84% | 0.837 | 79% | 0.79 | S | S | * | * | trans | 77.3 | 116.1 | 146.9 | -60.5 | -86.9 | -80.9 | 0 | 0 | 118.2 | ||||
| 47 | V | 26 | Very low | 25 | Very low | 127 Ų | 127 | 136 Ų | 136 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | 168.1 | 120.4 | 110.3 | 162.9 | 0 | 0 | 0 | 0 | 109 | |||||
| 48 | S | 23.2 | Very low | 24.5 | Very low | 112 Ų | 112 | 139.1 Ų | 139.1 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | trans | -69.5 | 129.2 | 165.1 | 54.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 49 | S | 27.1 | Very low | 24.1 | Very low | 114 Ų | 114 | 140 Ų | 140 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | 175.4 | 131.8 | 141.3 | 51.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 50 | G | 24.4 | Very low | 23.9 | Very low | 70 Ų | 70 | 142.8 Ų | 142.8 | 72% | 0.722 | 80% | 0.799 | S | S | * | * | trans | -77.7 | 172.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 51 | N | 21.7 | Very low | 23.6 | Very low | 156 Ų | 156 | 146.2 Ų | 146.2 | 83% | 0.834 | 80% | 0.801 | S | S | * | * | trans | 48.8 | 105.2 | 151.9 | -78.1 | -17.9 | 0 | 0 | 0 | 118.1 | ||||
| 52 | R | 23.1 | Very low | 23.5 | Very low | 241 Ų | 241 | 148.6 Ų | 148.6 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | 166 | 127 | 113.2 | -89.8 | 164.7 | -175.4 | -163.2 | 2.9 | 112 | |||||
| 53 | R | 20 | Very low | 23.4 | Very low | 236 Ų | 236 | 147.8 Ų | 147.8 | 89% | 0.891 | 81% | 0.811 | S | S | * | * | trans | 10.6 | 124.6 | 139.4 | -65.9 | 176.7 | 175.4 | 174.5 | -2.4 | 117.3 | ||||
| 54 | K | 23.9 | Very low | 23.2 | Very low | 193 Ų | 193 | 145.4 Ų | 145.4 | 84% | 0.839 | 81% | 0.807 | S | S | * | * | trans | 158 | 100.3 | 136.5 | -87.9 | 165 | -177.6 | -170.4 | 0 | 108.9 | ||||
| 55 | S | 20.6 | Very low | 23 | Very low | 109 Ų | 109 | 145.9 Ų | 145.9 | 76% | 0.762 | 81% | 0.809 | S | S | * | * | 55.9 | 91 | 95.3 | 72.2 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 56 | I | 22.3 | Very low | 22.9 | Very low | 157 Ų | 157 | 148.9 Ų | 148.9 | 81% | 0.805 | 82% | 0.815 | S | S | * | * | trans | -140.4 | 131.8 | 147.4 | -61.9 | -176.7 | 0 | 0 | 0 | 107.8 | ||||
| 57 | P | 24.2 | Very low | 23 | Very low | 109 Ų | 109 | 149.8 Ų | 149.8 | 71% | 0.708 | 81% | 0.814 | S | S | * | * | trans | -93.5 | 145.3 | -175.6 | 36.3 | -31.1 | 0 | 0 | 0 | 111.8 | ||||
| 58 | L | 22 | Very low | 22.7 | Very low | 175 Ų | 175 | 152 Ų | 152 | 92% | 0.916 | 82% | 0.816 | S | S | * | * | trans | -125.5 | 96.7 | 152.5 | -100.6 | 104.4 | 0 | 0 | 0 | 109 | ||||
| 59 | S | 22.1 | Very low | 22.6 | Very low | 89 Ų | 89 | 153.4 Ų | 153.4 | 62% | 0.622 | 82% | 0.82 | S | S | * | * | trans | -62 | 143.2 | 147.4 | 50.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 60 | N | 25 | Very low | 22.3 | Very low | 141 Ų | 141 | 157.9 Ų | 157.9 | 75% | 0.754 | 83% | 0.825 | S | S | * | * | trans | 130.6 | 76.7 | 150.8 | -68 | -8.5 | 0 | 0 | 0 | 111.6 | ||||
| 61 | Y | 20.9 | Very low | 22.1 | Very low | 237 Ų | 237 | 162.5 Ų | 162.5 | 93% | 0.929 | 83% | 0.832 | S | S | * | * | trans | -167.8 | 67.9 | 137.6 | -110.6 | -79.9 | 0 | 0 | 0 | 107.7 | ||||
| 62 | V | 22.7 | Very low | 22.2 | Very low | 149 Ų | 149 | 159.9 Ų | 159.9 | 90% | 0.903 | 82% | 0.823 | S | S | * | * | trans | -136.8 | 105.4 | 164.6 | 177.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 63 | A | 23 | Very low | 21.9 | Very low | 91 Ų | 91 | 154.5 Ų | 154.5 | 75% | 0.752 | 82% | 0.821 | S | S | * | * | trans | 178.3 | 121.1 | 156.1 | 0 | 0 | 0 | 0 | 0 | 102.5 | ||||
| 64 | S | 22.5 | Very low | 22 | Very low | 110 Ų | 110 | 152.5 Ų | 152.5 | 77% | 0.769 | 82% | 0.819 | S | S | * | * | S | Bend | cis | -179.8 | 97.8 | 44.6 | 31.1 | 0 | 0 | 0 | 0 | 108.5 | ||
| 65 | V | 22.6 | Very low | 21.7 | Very low | 153 Ų | 153 | 150.8 Ų | 150.8 | 93% | 0.927 | 82% | 0.818 | S | S | * | * | trans | -152 | 83.5 | 150.4 | -173.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 66 | E | 20.9 | Very low | 21.9 | Very low | 187 Ų | 187 | 150.7 Ų | 150.7 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | trans | -94.9 | 131.6 | 158.9 | -77.1 | -179.3 | 151.7 | 0 | 0 | 108.2 | ||||
| 67 | K | 24.2 | Very low | 21.8 | Very low | 190 Ų | 190 | 149.5 Ų | 149.5 | 83% | 0.826 | 82% | 0.815 | S | S | * | * | trans | -172.5 | 100.9 | 136.7 | -103.1 | 171.6 | -175.1 | -174.8 | 0 | 110.5 | ||||
| 68 | E | 20.7 | Very low | 21.7 | Very low | 173 Ų | 173 | 152 Ų | 152 | 81% | 0.808 | 82% | 0.821 | S | S | * | * | trans | 32.8 | 118.6 | 136.9 | -60.6 | 174.5 | 156.6 | 0 | 0 | 117.5 | ||||
| 69 | T | 21.4 | Very low | 21.7 | Very low | 142 Ų | 142 | 149 Ų | 149 | 87% | 0.871 | 81% | 0.81 | S | S | * | * | -167.5 | 118.3 | 82.1 | 28.6 | 0 | 0 | 0 | 0 | 110 | |||||
| 70 | K | 20.7 | Very low | 21.6 | Very low | 207 Ų | 207 | 153 Ų | 153 | 90% | 0.9 | 82% | 0.819 | S | S | * | * | trans | -112.2 | 125.1 | 167.8 | -81.8 | 180 | 176.1 | 176.4 | 0 | 107.9 | ||||
| 71 | I | 20.7 | Very low | 21.5 | Very low | 168 Ų | 168 | 155 Ų | 155 | 86% | 0.862 | 82% | 0.823 | S | S | * | * | trans | -131.4 | 114.8 | 156.9 | -59.2 | 178.9 | 0 | 0 | 0 | 106.8 | ||||
| 72 | P | 22.2 | Very low | 21.5 | Very low | 101 Ų | 101 | 152.7 Ų | 152.7 | 66% | 0.656 | 82% | 0.821 | S | S | * | * | trans | -89.4 | 155.1 | -170.6 | 34.5 | -33.5 | 0 | 0 | 0 | 113.6 | F74 | P72-F74 PolarHBondContact O-N 3.15Š| ||
| 73 | C | 18.1 | Very low | 21.4 | Very low | 127 Ų | 127 | 156.4 Ų | 156.4 | 86% | 0.858 | 82% | 0.818 | S | S | * | * | trans | -57.9 | 123.4 | 174.3 | -64.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 74 | F | 21.3 | Very low | 21.3 | Very low | 195 Ų | 195 | 158.6 Ų | 158.6 | 86% | 0.855 | 82% | 0.822 | S | S | * | * | trans | -98.5 | 111.8 | 162.9 | -94.9 | -87.9 | 0 | 0 | 0 | 109.1 | P72 | P72-F74 PolarHBondContact O-N 3.15Š| ||
| 75 | L | 18.9 | Very low | 21.3 | Very low | 157 Ų | 157 | 160.9 Ų | 160.9 | 82% | 0.822 | 83% | 0.825 | S | S | * | * | trans | -83.4 | 128 | 156.5 | -89.5 | 106.4 | 0 | 0 | 0 | 108.5 | ||||
| 76 | P | 23.9 | Very low | 21.3 | Very low | 106 Ų | 106 | 158.3 Ų | 158.3 | 69% | 0.688 | 81% | 0.814 | S | S | * | * | trans | -116.8 | 108.4 | 159.2 | 26.8 | -9.3 | 0 | 0 | 0 | 110.4 | ||||
| 77 | T | 20.2 | Very low | 21.3 | Very low | 133 Ų | 133 | 158.6 Ų | 158.6 | 82% | 0.816 | 82% | 0.815 | S | S | * | * | trans | -64.5 | 120 | 156.2 | 41.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 78 | I | 22.6 | Very low | 21.3 | Very low | 160 Ų | 160 | 152.9 Ų | 152.9 | 82% | 0.821 | 81% | 0.81 | S | S | * | * | trans | -130.5 | 116.7 | 166.7 | -64.6 | -179.6 | 0 | 0 | 0 | 109.6 | ||||
| 79 | V | 21.6 | Very low | 21.4 | Very low | 114 Ų | 114 | 151.9 Ų | 151.9 | 69% | 0.691 | 81% | 0.811 | S | S | * | * | trans | -78.5 | 135.4 | 174.6 | 167.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 80 | E | 20.2 | Very low | 21.5 | Very low | 173 Ų | 173 | 152.6 Ų | 152.6 | 81% | 0.808 | 81% | 0.807 | S | S | * | * | trans | 16.6 | 111.1 | 149.4 | -59.7 | 176 | 159.8 | 0 | 0 | 117.7 | ||||
| 81 | H | 21.8 | Very low | 21.6 | Very low | 181 Ų | 181 | 148.2 Ų | 148.2 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | trans | -128.6 | 108.5 | 151.8 | -103.1 | 53.9 | 0 | 0 | 0 | 109.8 | R83 | H81-R83 PolarHBondContact O-N 3.05Š| ||
| 82 | Q | 20.8 | Very low | 21.7 | Very low | 190 Ų | 190 | 150.1 Ų | 150.1 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | trans | -58 | 114.8 | 166.9 | -66.2 | 172.8 | -25.7 | 0 | 0 | 109.3 | ||||
| 83 | R | 20.5 | Very low | 21.7 | Very low | 226 Ų | 226 | 149.4 Ų | 149.4 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | trans | -123 | 97.5 | 159.5 | -85 | -173 | 178.2 | 173.4 | 0.9 | 108.9 | H81 L85 | H81-R83 PolarHBondContact O-N 3.05Å; R83-L85 PolarHBondContact O-N 2.92Å | ||
| 84 | T | 22 | Very low | 21.9 | Very low | 137 Ų | 137 | 152.1 Ų | 152.1 | 84% | 0.84 | 80% | 0.803 | S | S | * | * | trans | -61.2 | 109.2 | 158.9 | 47.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 85 | L | 21.5 | Very low | 21.9 | Very low | 158 Ų | 158 | 152 Ų | 152 | 83% | 0.827 | 81% | 0.805 | S | S | * | * | trans | -130.5 | 105.2 | 161.2 | -89.3 | 167.3 | 0 | 0 | 0 | 108.7 | R83 | R83-L85 PolarHBondContact O-N 2.92Š| ||
| 86 | S | 22.2 | Very low | 22 | Very low | 99 Ų | 99 | 150 Ų | 150 | 69% | 0.692 | 80% | 0.804 | S | S | * | * | trans | -57.3 | 138.6 | 165.5 | 46.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 87 | E | 21.9 | Very low | 21.8 | Very low | 193 Ų | 193 | 154.6 Ų | 154.6 | 90% | 0.902 | 81% | 0.814 | S | S | * | * | trans | 50.3 | 77.3 | 137.6 | -61.4 | -179.4 | 171.8 | 0 | 0 | 117.5 | ||||
| 88 | G | 24.4 | Very low | 21.9 | Very low | 70 Ų | 70 | 152.9 Ų | 152.9 | 72% | 0.722 | 81% | 0.806 | S | S | * | * | trans | -111.7 | 105 | 159 | 0 | 0 | 0 | 0 | 0 | 110.3 | I90 | G88-I90 PolarHBondContact O-N 3.14Å; G88-I90 VanDerWaalsContact O-N 3.07Å | ||
| 89 | N | 22.9 | Very low | 21.8 | Very low | 153 Ų | 153 | 154.3 Ų | 154.3 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -48.9 | 103.9 | 178.9 | -71 | -43.4 | 0 | 0 | 0 | 113.7 | ||||
| 90 | I | 22.6 | Very low | 21.7 | Very low | 156 Ų | 156 | 155.1 Ų | 155.1 | 80% | 0.8 | 81% | 0.814 | S | S | * | * | trans | -120.7 | 63.7 | 159.9 | -53.9 | 177.8 | 0 | 0 | 0 | 108 | G88 | G88-I90 PolarHBondContact O-N 3.14Å; G88-I90 VanDerWaalsContact O-N 3.07Å | ||
| 91 | T | 22.8 | Very low | 21.8 | Very low | 116 Ų | 116 | 154.3 Ų | 154.3 | 71% | 0.712 | 82% | 0.815 | S | S | * | * | trans | -91.9 | 91.7 | 156.7 | 49.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 92 | K | 23.2 | Very low | 21.7 | Very low | 207 Ų | 207 | 153.1 Ų | 153.1 | 90% | 0.9 | 82% | 0.815 | S | S | * | * | S | Bend | trans | 172.1 | 68.5 | 159.3 | -97.1 | 165.3 | -171.5 | -174.1 | 0 | 110.3 | ||
| 93 | A | 21.3 | Very low | 21.8 | Very low | 87 Ų | 87 | 148.9 Ų | 148.9 | 72% | 0.719 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -165 | 1.4 | 162.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 94 | H | 22.6 | Very low | 21.8 | Very low | 184 Ų | 184 | 143.7 Ų | 143.7 | 85% | 0.852 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -126.9 | 92.2 | 179.6 | -82.8 | 24.3 | 0 | 0 | 0 | 109 | ||
| 95 | Q | 21.8 | Very low | 21.9 | Very low | 191 Ų | 191 | 145.8 Ų | 145.8 | 89% | 0.893 | 81% | 0.805 | S | S | * | * | S | Bend | trans | 162.1 | 79 | 154.2 | -92.7 | 169.5 | 4 | 0 | 0 | 108.9 | ||
| 96 | S | 20.5 | Very low | 22 | Very low | 116 Ų | 116 | 148.5 Ų | 148.5 | 81% | 0.811 | 81% | 0.81 | S | S | * | * | trans | -177.4 | 64.6 | 151.9 | 50.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 97 | F | 20.4 | Very low | 22.1 | Very low | 202 Ų | 202 | 150.1 Ų | 150.1 | 89% | 0.886 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -145.9 | 118.3 | 160.4 | -124.6 | -86.5 | 0 | 0 | 0 | 105.8 | ||
| 98 | C | 21.8 | Very low | 22.2 | Very low | 97 Ų | 97 | 144.8 Ų | 144.8 | 66% | 0.655 | 82% | 0.817 | S | S | * | * | cis | -157 | 110.6 | -14.7 | -102.9 | 0 | 0 | 0 | 0 | 103.1 | ||||
| 99 | E | 20.7 | Very low | 22.3 | Very low | 191 Ų | 191 | 145 Ų | 145 | 89% | 0.893 | 81% | 0.812 | S | S | * | * | trans | -73.1 | 135.4 | 155.3 | -89.4 | -178.7 | 160.2 | 0 | 0 | 108 | N101 | E99-N101 PolarHBondContact O-N 3.02Š| ||
| 100 | V | 20.8 | Very low | 22.6 | Very low | 131 Ų | 131 | 144.2 Ų | 144.2 | 79% | 0.794 | 82% | 0.815 | S | S | * | * | trans | -58.8 | 110.7 | -175.3 | 176.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 101 | N | 21.8 | Very low | 22.9 | Very low | 155 Ų | 155 | 145.3 Ų | 145.3 | 83% | 0.829 | 81% | 0.814 | S | S | * | * | trans | -133.3 | 117.1 | 161.9 | -98.6 | -27.8 | 0 | 0 | 0 | 110.9 | E99 S103 | E99-N101 PolarHBondContact O-N 3.02Å; N101-S103 PolarHBondContact O-N 2.95Å | ||
| 102 | N | 19.7 | Very low | 23.5 | Very low | 157 Ų | 157 | 143.7 Ų | 143.7 | 84% | 0.84 | 81% | 0.808 | S | S | * | * | trans | -50 | 113.2 | 176.6 | -67.3 | -42.9 | 0 | 0 | 0 | 111.7 | ||||
| 103 | S | 22.9 | Very low | 24 | Very low | 101 Ų | 101 | 140 Ų | 140 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | trans | -151.7 | 122.7 | 150.9 | 58.1 | 0 | 0 | 0 | 0 | 110.7 | N101 H105 | N101-S103 PolarHBondContact O-N 2.95Å; S103-H105 PolarHBondContact O-N 2.61Å | ||
| 104 | S | 20.7 | Very low | 24.5 | Very low | 116 Ų | 116 | 143.1 Ų | 143.1 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | trans | -64.7 | 105.9 | -178.5 | 51 | 0 | 0 | 0 | 0 | 112 | ||||
| 105 | H | 23.8 | Very low | 25 | Very low | 181 Ų | 181 | 136.2 Ų | 136.2 | 84% | 0.838 | 77% | 0.773 | S | S | * | * | trans | -118.6 | 112.1 | 158.7 | -86.1 | -70.1 | 0 | 0 | 0 | 110.7 | S103 C107 | S103-H105 PolarHBondContact O-N 2.61Å; H105-C107 PolarHBondContact O-N 2.92Å | ||
| 106 | K | 22.4 | Very low | 25.6 | Very low | 216 Ų | 216 | 135.5 Ų | 135.5 | 94% | 0.939 | 76% | 0.762 | S | S | * | * | trans | -61.8 | 103.6 | 178.2 | -68.4 | 170.7 | 174.2 | 174.7 | 0 | 110.2 | ||||
| 107 | C | 24.4 | Very low | 26.4 | Very low | 132 Ų | 132 | 135.7 Ų | 135.7 | 89% | 0.892 | 75% | 0.75 | S | S | * | * | trans | -93.8 | 111 | 163.3 | -168.9 | 0 | 0 | 0 | 0 | 108.8 | H105 A109 | H105-C107 PolarHBondContact O-N 2.92Å; C107-A109 PolarHBondContact O-N 2.95Å | ||
| 108 | G | 24.4 | Very low | 26.9 | Very low | 82 Ų | 82 | 133.4 Ų | 133.4 | 85% | 0.845 | 74% | 0.744 | S | S | * | * | trans | -77.4 | 111.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 109 | A | 26.9 | Very low | 27.5 | Very low | 75 Ų | 75 | 137.1 Ų | 137.1 | 62% | 0.62 | 75% | 0.752 | S | S | * | * | trans | -130.4 | 134.2 | 149 | 0 | 0 | 0 | 0 | 0 | 107 | C107 K111 | C107-A109 PolarHBondContact O-N 2.95Å; A109-K111 PolarHBondContact O-N 3.06Å | ||
| 110 | P | 28.7 | Very low | 28.3 | Very low | 136 Ų | 136 | 138.5 Ų | 138.5 | 88% | 0.883 | 75% | 0.749 | S | S | * | * | trans | -71.9 | 101 | -172.4 | 29.5 | -31.7 | 0 | 0 | 0 | 109.1 | ||||
| 111 | K | 30.5 | Very low | 28.8 | Very low | 178 Ų | 178 | 135 Ų | 135 | 77% | 0.774 | 73% | 0.733 | S | S | * | * | trans | -75.5 | 139.1 | 174 | -67.9 | -179.7 | 179.6 | -179.8 | 0 | 109.9 | A109 | A109-K111 PolarHBondContact O-N 3.06Š| ||
| 112 | S | 34.7 | Very low | 29.1 | Very low | 83 Ų | 83 | 130.3 Ų | 130.3 | 58% | 0.58 | 72% | 0.721 | S | S | * | * | trans | -46.9 | 146.6 | 179.5 | 166.6 | 0 | 0 | 0 | 0 | 113.3 | F114 G115 | S112-F114 PolarHBondContact O-N 2.98Å; S112-F114 VanDerWaalsContact O-N 3.14Å; S112-F114 PolarHBondContact OG-N 3.1Å; S112-G115 PolarHBondContact O-N 3.13Å | ||
| 113 | I | 33.7 | Very low | 29.4 | Very low | 128 Ų | 128 | 132.3 Ų | 132.3 | 66% | 0.656 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -48.6 | -36.9 | 176.4 | -87.5 | 162 | 0 | 0 | 0 | 112.6 | G115 R116 E117 | I113-G115 VanDerWaalsContact C-N 3.3Å; I113-G115 PolarHBondContact O-N 3.14Å; I113-R116 WeakPolarHBondContact O-CB 3.44Å; I113-R116 PolarHBondContact O-N 3.42Å; I113-E117 PolarHBondContact O-N 3.4Å |
| 114 | F | 31.7 | Very low | 29.4 | Very low | 153 Ų | 153 | 133.6 Ų | 133.6 | 67% | 0.671 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -62.6 | -35.5 | 177 | -102.5 | -88.7 | 0 | 0 | 0 | 113.3 | S112 R116 E117 M118 | S112-F114 PolarHBondContact O-N 2.98Å; S112-F114 VanDerWaalsContact O-N 3.14Å; S112-F114 PolarHBondContact OG-N 3.1Å; F114-R116 PolarHBondContact O-N 2.95Å; F114-E117 PolarHBondContact O-N 3.16Å; F114-M118 PolarHBondContact O-N 3Å |
| 115 | G | 33.5 | Very low | 29.5 | Very low | 40 Ų | 40 | 140.5 Ų | 140.5 | 41% | 0.412 | 74% | 0.735 | S | S | . | * | H | α-helix | trans | -67 | -26.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | S112 I113 | S112-G115 PolarHBondContact O-N 3.13Å; I113-G115 VanDerWaalsContact C-N 3.3Å; I113-G115 PolarHBondContact O-N 3.14Å |
| 116 | R | 33.9 | Very low | 29.3 | Very low | 175 Ų | 175 | 136.3 Ų | 136.3 | 66% | 0.66 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -79.3 | -29.8 | 176.5 | -77.2 | -178.3 | 177.3 | 165.4 | 0.6 | 113.2 | I113 F114 | I113-R116 WeakPolarHBondContact O-CB 3.44Å; I113-R116 PolarHBondContact O-N 3.42Å; F114-R116 PolarHBondContact O-N 2.95Å |
| 117 | E | 37.8 | Very low | 29.2 | Very low | 120 Ų | 120 | 132 Ų | 132 | 56% | 0.561 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -76.6 | -35 | 178.7 | -81.4 | -168.6 | 151.1 | 0 | 0 | 112.7 | I113 F114 E119 R120 A121 | I113-E117 PolarHBondContact O-N 3.4Å; F114-E117 PolarHBondContact O-N 3.16Å; E117-E119 VanDerWaalsContact C-N 3.32Å; E117-E119 PolarHBondContact O-N 3.5Å; E117-R120 PolarHBondContact O-N 3.36Å; E117-R120 VanDerWaalsContact O-N 3.11Å; E117-A121 PolarHBondContact O-N 3.17Å |
| 118 | M | 30.9 | Very low | 29 | Very low | 155 Ų | 155 | 136.3 Ų | 136.3 | 76% | 0.764 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -65 | -31.5 | 179.1 | -78.8 | -145 | -81.6 | 0 | 0 | 113.9 | F114 | F114-M118 PolarHBondContact O-N 3Å |
| 119 | E | 34.2 | Very low | 28.9 | Very low | 174 Ų | 174 | 139.5 Ų | 139.5 | 81% | 0.813 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -76.6 | -29.6 | 173 | -77.8 | -176.9 | 172.1 | 0 | 0 | 112.7 | E117 A121 | E117-E119 VanDerWaalsContact C-N 3.32Å; E117-E119 PolarHBondContact O-N 3.5Å; E119-A121 PolarHBondContact O-N 3.33Å |
| 120 | R | 36.2 | Very low | 28.5 | Very low | 221 Ų | 221 | 145 Ų | 145 | 83% | 0.834 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -68.9 | -23.8 | 176.1 | -81.2 | -176.7 | 177.7 | 169.7 | -1.7 | 113.1 | E117 G122 | E117-R120 PolarHBondContact O-N 3.36Å; E117-R120 VanDerWaalsContact O-N 3.11Å; R120-G122 PolarHBondContact O-N 2.81Å |
| 121 | A | 33.1 | Very low | 28.2 | Very low | 56 Ų | 56 | 143.5 Ų | 143.5 | 46% | 0.463 | 72% | 0.721 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.7 | -1.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | E117 E119 F123 | E117-A121 PolarHBondContact O-N 3.17Å; E119-A121 PolarHBondContact O-N 3.33Å; A121-F123 VanDerWaalsContact C-N 3.31Å; A121-F123 HydrophobicContact CB-CD2 4.19Å; A121-F123 HydrophobicContact CB-CE2 4.34Å; A121-F123 VanDerWaalsContact O-CD2 3.31Å; A121-F123 WeakPolarHBondContact O-CD2 3.48Å; A121-F123 PolarHBondContact O-N 3.29Å |
| 122 | G | 27.2 | Very low | 27.7 | Very low | 57 Ų | 57 | 143.8 Ų | 143.8 | 59% | 0.588 | 72% | 0.724 | S | S | * | * | trans | 52.5 | 31.5 | 157.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | R120 T124 | R120-G122 PolarHBondContact O-N 2.81Å; G122-T124 PolarHBondContact O-N 2.8Å | ||
| 123 | F | 25.4 | Very low | 27 | Very low | 200 Ų | 200 | 149.3 Ų | 149.3 | 88% | 0.877 | 74% | 0.738 | S | S | * | * | trans | -70 | 101.5 | -173.9 | -91.6 | -85.8 | 0 | 0 | 0 | 112.5 | A121 | A121-F123 VanDerWaalsContact C-N 3.31Å; A121-F123 HydrophobicContact CB-CD2 4.19Å; A121-F123 HydrophobicContact CB-CE2 4.34Å; A121-F123 VanDerWaalsContact O-CD2 3.31Å; A121-F123 WeakPolarHBondContact O-CD2 3.48Å; A121-F123 PolarHBondContact O-N 3.29Å | ||
| 124 | T | 24.2 | Very low | 26.4 | Very low | 128 Ų | 128 | 148.5 Ų | 148.5 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | trans | -87 | 129.9 | 167.3 | 41.3 | 0 | 0 | 0 | 0 | 109.4 | G122 S126 | G122-T124 PolarHBondContact O-N 2.8Å; T124-S126 PolarHBondContact O-N 3.45Å | ||
| 125 | R | 21 | Very low | 25.9 | Very low | 260 Ų | 260 | 148.9 Ų | 148.9 | 98% | 0.981 | 75% | 0.752 | S | S | * | * | trans | -56.7 | 103.5 | 176.7 | -86.4 | 173.8 | 165.4 | 170.9 | -5.6 | 110.4 | ||||
| 126 | S | 21.2 | Very low | 25.5 | Very low | 93 Ų | 93 | 152.7 Ų | 152.7 | 65% | 0.65 | 77% | 0.769 | S | S | * | * | trans | -95.6 | 127.7 | 168.6 | -177.5 | 0 | 0 | 0 | 0 | 110.5 | T124 | T124-S126 PolarHBondContact O-N 3.45Š| ||
| 127 | T | 20 | Very low | 25 | Very low | 127 Ų | 127 | 152.4 Ų | 152.4 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | trans | -69.3 | 115.1 | 173.8 | 46 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 128 | Y | 20.6 | Very low | 24.3 | Very low | 221 Ų | 221 | 155.1 Ų | 155.1 | 87% | 0.867 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 121.4 | 175.2 | -98.8 | -87.8 | 0 | 0 | 0 | 111.6 | ||
| 129 | N | 20.6 | Very low | 24.2 | Very low | 150 Ų | 150 | 153 Ų | 153 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 149.8 | 175.8 | -85.7 | -33.2 | 0 | 0 | 0 | 111.9 | ||
| 130 | Q | 19.7 | Very low | 24 | Very low | 191 Ų | 191 | 151.6 Ų | 151.6 | 89% | 0.893 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 134.6 | 176.4 | -66.3 | 163 | -21.5 | 0 | 0 | 113 | ||
| 131 | S | 21.7 | Very low | 23.4 | Very low | 104 Ų | 104 | 145.7 Ų | 145.7 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | -135.4 | 130.9 | 158.8 | 56.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 132 | H | 20.1 | Very low | 23.1 | Very low | 183 Ų | 183 | 150.8 Ų | 150.8 | 85% | 0.847 | 79% | 0.792 | S | S | * | * | trans | -63.6 | 133.1 | 179.4 | -75.2 | -102.5 | 0 | 0 | 0 | 111.7 | ||||
| 133 | F | 20.5 | Very low | 23.3 | Very low | 199 Ų | 199 | 152.7 Ų | 152.7 | 87% | 0.873 | 79% | 0.788 | S | S | * | * | trans | -130.3 | 126.6 | 160.6 | -97.9 | -84 | 0 | 0 | 0 | 111 | ||||
| 134 | S | 22.1 | Very low | 23.7 | Very low | 112 Ų | 112 | 150 Ų | 150 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -81 | 145.3 | -177.7 | -39.1 | 0 | 0 | 0 | 0 | 111.2 | ||
| 135 | I | 21.3 | Very low | 24.1 | Very low | 161 Ų | 161 | 148.6 Ų | 148.6 | 83% | 0.826 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 129.1 | -174.5 | -60.2 | 156.2 | 0 | 0 | 0 | 110.6 | ||
| 136 | P | 23.9 | Very low | 24.7 | Very low | 120 Ų | 120 | 138.9 Ų | 138.9 | 78% | 0.779 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 138.1 | 164.7 | 24.4 | -13.6 | 0 | 0 | 0 | 111.3 | ||
| 137 | E | 23.5 | Very low | 25.7 | Very low | 169 Ų | 169 | 139 Ų | 139 | 79% | 0.79 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 148.4 | -176 | -66.6 | 170.6 | 146.2 | 0 | 0 | 113.5 | ||
| 138 | Q | 23.2 | Very low | 26.6 | Very low | 177 Ų | 177 | 137.7 Ų | 137.7 | 83% | 0.827 | 71% | 0.71 | S | S | * | * | trans | 50.5 | 102.7 | 146.1 | -64.6 | 175.6 | -0.8 | 0 | 0 | 118.8 | ||||
| 139 | S | 28.4 | Very low | 27.4 | Very low | 110 Ų | 110 | 128.7 Ų | 128.7 | 77% | 0.769 | 68% | 0.677 | S | S | * | * | trans | 177.3 | 136.6 | 132.3 | 40.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 140 | N | 30.3 | Very low | 28.3 | Very low | 144 Ų | 144 | 127.5 Ų | 127.5 | 77% | 0.77 | 66% | 0.664 | S | S | * | * | trans | 62.5 | 108.7 | 152.1 | -62.4 | -11 | 0 | 0 | 0 | 121.1 | H142 L143 | N140-H142 PolarHBondContact O-N 3.17Å; N140-L143 PolarHBondContact O-N 3.31Å | ||
| 141 | C | 24.1 | Very low | 29.2 | Very low | 98 Ų | 98 | 125.6 Ų | 125.6 | 66% | 0.662 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.8 | -14.9 | 178 | -172.6 | 0 | 0 | 0 | 0 | 117.3 | L143 E144 | C141-L143 PolarHBondContact O-N 3Å; C141-L143 VanDerWaalsContact O-N 3.17Å; C141-E144 PolarHBondContact O-N 3.26Å |
| 142 | H | 26.1 | Very low | 30 | Very low | 163 Ų | 163 | 122.2 Ų | 122.2 | 76% | 0.755 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -63.6 | -21 | 177.7 | -119.8 | 27.8 | 0 | 0 | 0 | 113.1 | N140 E144 | N140-H142 PolarHBondContact O-N 3.17Å; H142-E144 VanDerWaalsContact C-N 3.32Å; H142-E144 PolarHBondContact O-N 3.24Å |
| 143 | L | 31.2 | Very low | 30.7 | Very low | 96 Ų | 96 | 114.4 Ų | 114.4 | 50% | 0.503 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -72.7 | -20.7 | -177.9 | -161.9 | 64.2 | 0 | 0 | 0 | 113.3 | N140 C141 K147 | N140-L143 PolarHBondContact O-N 3.31Å; C141-L143 PolarHBondContact O-N 3Å; C141-L143 VanDerWaalsContact O-N 3.17Å; L143-K147 HydrophobicContact CD2-CD 4.4Å; L143-K147 HydrophobicContact CG-CD 4.05Å; L143-K147 HydrophobicContact CG-CG 4.21Å; L143-K147 WeakPolarHBondContact O-CB 3.5Å; L143-K147 WeakPolarHBondContact O-CG 3.42Å; L143-K147 PolarHBondContact O-N 3.48Å |
| 144 | E | 34.3 | Very low | 31.5 | Very low | 145 Ų | 145 | 106.6 Ų | 106.6 | 68% | 0.678 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -78.7 | -41.9 | -174.4 | -78.9 | -174.8 | 168.9 | 0 | 0 | 114.3 | C141 H142 L146 K147 Y148 | C141-E144 PolarHBondContact O-N 3.26Å; H142-E144 VanDerWaalsContact C-N 3.32Å; H142-E144 PolarHBondContact O-N 3.24Å; E144-L146 VanDerWaalsContact C-N 3.35Å; E144-L146 PolarHBondContact O-N 2.95Å; E144-K147 PolarHBondContact O-N 2.85Å; E144-Y148 WeakPolarHBondContact O-CB 3.43Å; E144-Y148 PolarHBondContact O-N 3.39Å |
| 145 | C | 31.8 | Very low | 32.4 | Very low | 98 Ų | 98 | 105.1 Ų | 105.1 | 66% | 0.662 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.8 | -39.4 | 174.6 | -80.6 | 0 | 0 | 0 | 0 | 112 | Y148 L149 | C145-Y148 PolarHBondContact O-N 3.06Å; C145-L149 WeakPolarHBondContact O-CG 3.1Å; C145-L149 PolarHBondContact O-N 3.41Å |
| 146 | L | 35.1 | Very low | 33.5 | Very low | 55 Ų | 55 | 103.6 Ų | 103.6 | 29% | 0.288 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -69.6 | -37.1 | 174.5 | -80.5 | 166.2 | 0 | 0 | 0 | 112.2 | E144 L149 K150 | E144-L146 VanDerWaalsContact C-N 3.35Å; E144-L146 PolarHBondContact O-N 2.95Å; L146-L149 PolarHBondContact O-N 3.2Å; L146-K150 WeakPolarHBondContact O-CB 3.21Å; L146-K150 PolarHBondContact O-N 3.03Å |
| 147 | K | 40.5 | Very low | 34.3 | Very low | 97 Ų | 97 | 101.1 Ų | 101.1 | 42% | 0.422 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.4 | -45.4 | 170.8 | -86.7 | 175.1 | 174.6 | 177.1 | 0 | 111.3 | L143 E144 L149 K150 E151 | L143-K147 HydrophobicContact CD2-CD 4.4Å; L143-K147 HydrophobicContact CG-CD 4.05Å; L143-K147 HydrophobicContact CG-CG 4.21Å; L143-K147 WeakPolarHBondContact O-CB 3.5Å; L143-K147 WeakPolarHBondContact O-CG 3.42Å; L143-K147 PolarHBondContact O-N 3.48Å; E144-K147 PolarHBondContact O-N 2.85Å; K147-L149 PolarHBondContact O-N 3.45Å; K147-K150 CarbonylContact O-C 3.58Å; K147-K150 PolarHBondContact O-N 3.04Å; K147-E151 WeakPolarHBondContact O-CB 3.3Å; K147-E151 WeakPolarHBondContact O-CG 3.49Å; K147-E151 PolarHBondContact O-N 3.33Å |
| 148 | Y | 40.6 | Very low | 35.3 | Very low | 99 Ų | 99 | 95.1 Ų | 95.1 | 39% | 0.388 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -56.4 | -50.6 | 175.4 | 177.9 | -93.7 | 0 | 0 | 0 | 110.6 | E144 C145 K150 E151 T152 L322 | E144-Y148 WeakPolarHBondContact O-CB 3.43Å; E144-Y148 PolarHBondContact O-N 3.39Å; C145-Y148 PolarHBondContact O-N 3.06Å; Y148-K150 VanDerWaalsContact C-N 3.34Å; Y148-K150 PolarHBondContact O-N 2.97Å; Y148-E151 PolarHBondContact O-N 3.4Å; Y148-E151 VanDerWaalsContact O-N 3.1Å; Y148-T152 HydrophobicContact CD2-CG2 3.86Å; Y148-T152 HydrophobicContact CE1-CG2 4.47Å; Y148-T152 WeakPolarHBondContact CE1-OG1 3.12Å; Y148-T152 HydrophobicContact CE2-CG2 3.63Å; Y148-T152 HydrophobicContact CG-CG2 4.39Å; Y148-T152 WeakPolarHBondContact O-CB 3.45Å; Y148-T152 PolarHBondContact O-N 3.04Å; Y148-T152 PolarHBondContact O-OG1 2.84Å; Y148-L322 HydrophobicContact CE1-CD1 3.97Å; Y148-L322 WeakPolarHBondContact OH-CD1 3.25Å |
| 149 | L | 36.2 | Very low | 35.8 | Very low | 32 Ų | 32 | 86.8 Ų | 86.8 | 17% | 0.168 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -60.8 | -39 | 176.6 | -73.8 | 169.9 | 0 | 0 | 0 | 113.1 | C145 L146 K147 G153 V330 | C145-L149 WeakPolarHBondContact O-CG 3.1Å; C145-L149 PolarHBondContact O-N 3.41Å; L146-L149 PolarHBondContact O-N 3.2Å; K147-L149 PolarHBondContact O-N 3.45Å; L149-G153 PolarHBondContact O-N 3.49Å; L149-V330 HydrophobicContact CD1-CG2 4.05Å |
| 150 | K | 39.8 | Very low | 36.4 | Very low | 125 Ų | 125 | 84.6 Ų | 84.6 | 54% | 0.543 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -65.7 | -37.6 | 172.6 | -90.4 | -175.1 | 174.5 | 178.4 | 0 | 112.9 | L146 K147 Y148 Y333 | L146-K150 WeakPolarHBondContact O-CB 3.21Å; L146-K150 PolarHBondContact O-N 3.03Å; K147-K150 CarbonylContact O-C 3.58Å; K147-K150 PolarHBondContact O-N 3.04Å; Y148-K150 VanDerWaalsContact C-N 3.34Å; Y148-K150 PolarHBondContact O-N 2.97Å; K150-Y333 WeakPolarHBondContact CE-OH 3.28Å |
| 151 | E | 39.2 | Very low | 36.7 | Very low | 150 Ų | 150 | 80 Ų | 80 | 70% | 0.701 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -85.4 | -27.4 | -173.9 | -72.2 | 173 | -168.7 | 0 | 0 | 112.8 | K147 Y148 | K147-E151 WeakPolarHBondContact O-CB 3.3Å; K147-E151 WeakPolarHBondContact O-CG 3.49Å; K147-E151 PolarHBondContact O-N 3.33Å; Y148-E151 PolarHBondContact O-N 3.4Å; Y148-E151 VanDerWaalsContact O-N 3.1Å |
| 152 | T | 37 | Very low | 37.2 | Very low | 33 Ų | 33 | 79.8 Ų | 79.8 | 20% | 0.202 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -113.1 | 1.8 | -174.6 | 68.4 | 0 | 0 | 0 | 0 | 115.1 | Y148 | Y148-T152 HydrophobicContact CD2-CG2 3.86Å; Y148-T152 HydrophobicContact CE1-CG2 4.47Å; Y148-T152 WeakPolarHBondContact CE1-OG1 3.12Å; Y148-T152 HydrophobicContact CE2-CG2 3.63Å; Y148-T152 HydrophobicContact CG-CG2 4.39Å; Y148-T152 WeakPolarHBondContact O-CB 3.45Å; Y148-T152 PolarHBondContact O-N 3.04Å; Y148-T152 PolarHBondContact O-OG1 2.84Å |
| 153 | G | 36.2 | Very low | 37.8 | Very low | 19 Ų | 19 | 74.3 Ų | 74.3 | 20% | 0.196 | 41% | 0.406 | C | S | . | . | S | Bend | trans | -57.8 | 146.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | L149 Q155 | L149-G153 PolarHBondContact O-N 3.49Å; G153-Q155 PolarHBondContact O-N 2.97Å |
| 154 | P | 37.4 | Very low | 38.3 | Very low | 35 Ų | 35 | 76.3 Ų | 76.3 | 23% | 0.227 | 42% | 0.422 | C | S | . | . | trans | -61.1 | 141.3 | -176.5 | 33.2 | -43.3 | 0 | 0 | 0 | 109.9 | I156 I157 T158 L319 | P154-I156 PolarHBondContact O-N 2.82Å; P154-I157 PolarHBondContact O-N 3.28Å; P154-T158 PolarHBondContact O-N 2.76Å; P154-T158 PolarHBondContact O-OG1 3Å; P154-L319 HydrophobicContact CB-CB 4.1Å; P154-L319 HydrophobicContact CG-CB 3.25Å; P154-L319 HydrophobicContact CG-CD1 3.37Å; P154-L319 HydrophobicContact CG-CD2 4.03Å; P154-L319 HydrophobicContact CG-CG 3.7Å | ||
| 155 | Q | 40.3 | Very low | 38.4 | Very low | 82 Ų | 82 | 77.2 Ų | 77.2 | 38% | 0.383 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -4.7 | -167.8 | -50.4 | -166 | -30 | 0 | 0 | 114.5 | G153 T158 G159 T160 G161 | G153-Q155 PolarHBondContact O-N 2.97Å; Q155-T158 WeakPolarHBondContact CA-OG1 3.23Å; Q155-G159 CarbonylContact O-C 3.43Å; Q155-G159 VanDerWaalsContact O-CA 3.29Å; Q155-G159 WeakPolarHBondContact O-CA 3.48Å; Q155-G159 PolarHBondContact O-N 3.5Å; Q155-G159 VanDerWaalsContact O-N 3.08Å; Q155-T160 WeakPolarHBondContact CA-OG1 3.4Å; Q155-T160 WeakPolarHBondContact CB-OG1 3.27Å; Q155-T160 WeakPolarHBondContact CG-OG1 3.41Å; Q155-T160 PolarHBondContact O-N 3.33Å; Q155-G161 VanDerWaalsContact CB-CA 3.49Å; Q155-G161 PolarHBondContact O-N 3.38Å |
| 156 | I | 43.4 | Very low | 38.8 | Very low | 128 Ų | 128 | 73.4 Ų | 73.4 | 66% | 0.656 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -40.9 | 175 | -62.9 | 168.1 | 0 | 0 | 0 | 110.6 | P154 | P154-I156 PolarHBondContact O-N 2.82Š|
| 157 | I | 42.5 | Very low | 39.5 | Very low | 69 Ų | 69 | 76.2 Ų | 76.2 | 35% | 0.354 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -41.7 | -178.8 | -53.8 | -177.8 | 0 | 0 | 0 | 110.3 | P154 G159 L319 | P154-I157 PolarHBondContact O-N 3.28Å; I157-G159 PolarHBondContact O-N 3.34Å; I157-L319 HydrophobicContact CD1-CD1 3.77Å |
| 158 | T | 43.3 | Very low | 39.9 | Very low | 42 Ų | 42 | 75.2 Ų | 75.2 | 26% | 0.258 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -70.8 | -9.9 | 175 | 63 | 0 | 0 | 0 | 0 | 112.7 | P154 Q155 T160 | P154-T158 PolarHBondContact O-N 2.76Å; P154-T158 PolarHBondContact O-OG1 3Å; Q155-T158 WeakPolarHBondContact CA-OG1 3.23Å; T158-T160 PolarHBondContact O-N 3.15Å; T158-T160 VanDerWaalsContact O-N 3.12Å; T158-T160 PolarHBondContact OG1-OG1 3.21Å |
| 159 | G | 34.5 | Very low | 40.3 | Very low | 2 Ų | 2 | 73.5 Ų | 73.5 | 2% | 0.021 | 41% | 0.407 | C | S | . | . | S | Bend | trans | 72.8 | -3.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q155 I157 G161 L162 | Q155-G159 CarbonylContact O-C 3.43Å; Q155-G159 VanDerWaalsContact O-CA 3.29Å; Q155-G159 WeakPolarHBondContact O-CA 3.48Å; Q155-G159 PolarHBondContact O-N 3.5Å; Q155-G159 VanDerWaalsContact O-N 3.08Å; I157-G159 PolarHBondContact O-N 3.34Å; G159-G161 PolarHBondContact O-N 2.83Å; G159-G161 VanDerWaalsContact O-N 3.1Å; G159-L162 WeakPolarHBondContact O-CB 3.37Å; G159-L162 PolarHBondContact O-N 2.87Å |
| 160 | T | 39.9 | Very low | 41.2 | Very low | 64 Ų | 64 | 78.5 Ų | 78.5 | 39% | 0.393 | 43% | 0.429 | S | S | . | . | G | 310 helix | trans | -63.9 | -17.2 | -178.2 | 49.9 | 0 | 0 | 0 | 0 | 113.5 | Q155 T158 L162 A166 | Q155-T160 WeakPolarHBondContact CA-OG1 3.4Å; Q155-T160 WeakPolarHBondContact CB-OG1 3.27Å; Q155-T160 WeakPolarHBondContact CG-OG1 3.41Å; Q155-T160 PolarHBondContact O-N 3.33Å; T158-T160 PolarHBondContact O-N 3.15Å; T158-T160 VanDerWaalsContact O-N 3.12Å; T158-T160 PolarHBondContact OG1-OG1 3.21Å; T160-L162 VanDerWaalsContact C-N 3.28Å; T160-L162 PolarHBondContact O-N 2.96Å; T160-A166 HydrophobicContact CG2-CB 4.26Å |
| 161 | G | 37.5 | Very low | 42.2 | Very low | 48 Ų | 48 | 79.1 Ų | 79.1 | 50% | 0.495 | 43% | 0.428 | S | S | . | . | G | 310 helix | trans | -88.1 | -4.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112 | Q155 G159 G163 | Q155-G161 VanDerWaalsContact CB-CA 3.49Å; Q155-G161 PolarHBondContact O-N 3.38Å; G159-G161 PolarHBondContact O-N 2.83Å; G159-G161 VanDerWaalsContact O-N 3.1Å; G161-G163 PolarHBondContact O-N 3.44Å |
| 162 | L | 34.8 | Very low | 43.1 | Very low | 94 Ų | 94 | 75.7 Ų | 75.7 | 49% | 0.492 | 41% | 0.414 | S | S | . | . | G | 310 helix | trans | -84.4 | 12 | 172.5 | -61.7 | 155.5 | 0 | 0 | 0 | 111.7 | G159 T160 T164 R165 | G159-L162 WeakPolarHBondContact O-CB 3.37Å; G159-L162 PolarHBondContact O-N 2.87Å; T160-L162 VanDerWaalsContact C-N 3.28Å; T160-L162 PolarHBondContact O-N 2.96Å; L162-T164 PolarHBondContact O-N 3.03Å; L162-R165 HydrophobicContact CB-CB 3.52Å; L162-R165 HydrophobicContact CB-CG 4.47Å; L162-R165 HydrophobicContact CD1-CB 4.5Å; L162-R165 PolarHBondContact O-N 2.96Å |
| 163 | G | 38.5 | Very low | 44.4 | Very low | 48 Ų | 48 | 79.5 Ų | 79.5 | 50% | 0.495 | 43% | 0.429 | S | S | . | . | G | 310 helix | trans | 60.4 | -121.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111 | G161 R165 A166 | G161-G163 PolarHBondContact O-N 3.44Å; G163-R165 PolarHBondContact O-N 3.28Å; G163-A166 WeakPolarHBondContact O-CB 3.17Å; G163-A166 PolarHBondContact O-N 2.71Å |
| 164 | T | 41.9 | Very low | 45.8 | Very low | 138 Ų | 138 | 83.7 Ų | 83.7 | 85% | 0.847 | 44% | 0.444 | S | S | * | . | G | 310 helix | trans | -61.9 | -6.9 | -180 | 53.8 | 0 | 0 | 0 | 0 | 114.9 | L162 | L162-T164 PolarHBondContact O-N 3.03Š|
| 165 | R | 36.3 | Very low | 47.4 | Very low | 163 Ų | 163 | 84.9 Ų | 84.9 | 62% | 0.615 | 45% | 0.446 | S | S | * | . | G | 310 helix | trans | -89.3 | -5.5 | 173.9 | -76.2 | 176.7 | 177.6 | -176.1 | -0.6 | 114.3 | L162 G163 N167 E168 | L162-R165 HydrophobicContact CB-CB 3.52Å; L162-R165 HydrophobicContact CB-CG 4.47Å; L162-R165 HydrophobicContact CD1-CB 4.5Å; L162-R165 PolarHBondContact O-N 2.96Å; G163-R165 PolarHBondContact O-N 3.28Å; R165-N167 PolarHBondContact O-N 3.06Å; R165-E168 WeakPolarHBondContact O-CA 3.22Å; R165-E168 WeakPolarHBondContact O-CB 3.25Å; R165-E168 PolarHBondContact O-N 3.42Å |
| 166 | A | 40.1 | Very low | 48.7 | Very low | 18 Ų | 18 | 84.6 Ų | 84.6 | 15% | 0.149 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -53.4 | -44.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | T160 G163 E168 V169 | T160-A166 HydrophobicContact CG2-CB 4.26Å; G163-A166 WeakPolarHBondContact O-CB 3.17Å; G163-A166 PolarHBondContact O-N 2.71Å; A166-E168 PolarHBondContact O-N 3.11Å; A166-V169 PolarHBondContact O-N 3.46Å |
| 167 | N | 48.7 | Very low | 50 | Low | 114 Ų | 114 | 82.6 Ų | 82.6 | 61% | 0.61 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -58.2 | -22 | 175.7 | -61.8 | 1.4 | 0 | 0 | 0 | 113 | R165 R171 | R165-N167 PolarHBondContact O-N 3.06Å; N167-R171 WeakPolarHBondContact O-CB 3.41Å; N167-R171 PolarHBondContact O-N 3.15Å |
| 168 | E | 50.7 | Low | 51.4 | Low | 76 Ų | 76 | 84 Ų | 84 | 36% | 0.355 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -74.6 | -38.4 | 178.4 | -162.3 | 77.5 | 177.5 | 0 | 0 | 111.3 | R165 A166 R171 I172 | R165-E168 WeakPolarHBondContact O-CA 3.22Å; R165-E168 WeakPolarHBondContact O-CB 3.25Å; R165-E168 PolarHBondContact O-N 3.42Å; A166-E168 PolarHBondContact O-N 3.11Å; E168-R171 VanDerWaalsContact CD-CZ 3.49Å; E168-R171 PolarHBondContact O-N 3.41Å; E168-R171 IonicContact OE1-CZ 2.7Å; E168-R171 IonicContact OE1-NH1 3.93Å; E168-R171 IonicContact OE1-NH2 2.72Å; E168-R171 PolarHBondContact OE1-NH2 3.07Å; E168-R171 IonicContact OE2-CZ 2.62Å; E168-R171 IonicContact OE2-NH1 2.89Å; E168-R171 PolarHBondContact OE2-NH1 2.93Å; E168-R171 IonicContact OE2-NH2 3.04Å; E168-R171 PolarHBondContact OE2-NH2 3.13Å; E168-I172 HydrophobicContact CG-CD1 4.02Å; E168-I172 WeakPolarHBondContact O-CB 3.46Å; E168-I172 WeakPolarHBondContact O-CD1 3.46Å; E168-I172 WeakPolarHBondContact O-CG1 3.46Å; E168-I172 PolarHBondContact O-N 3.03Å |
| 169 | V | 48.6 | Very low | 52.7 | Low | 63 Ų | 63 | 88.7 Ų | 88.7 | 38% | 0.382 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -68.3 | -44.9 | -179.9 | 177.8 | 0 | 0 | 0 | 0 | 110.7 | A166 R171 I172 H173 | A166-V169 PolarHBondContact O-N 3.46Å; V169-R171 VanDerWaalsContact C-N 3.33Å; V169-I172 PolarHBondContact O-N 2.9Å; V169-H173 WeakPolarHBondContact O-CB 3.49Å; V169-H173 PolarHBondContact O-N 3.41Å |
| 170 | E | 54.3 | Low | 54.1 | Low | 138 Ų | 138 | 93.8 Ų | 93.8 | 65% | 0.645 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -63 | -39.8 | 172.9 | -82.6 | 166.1 | 153.4 | 0 | 0 | 111.5 | H173 Q174 | E170-H173 PolarHBondContact O-N 3.27Å; E170-Q174 VanDerWaalsContact O-CB 3.31Å; E170-Q174 WeakPolarHBondContact O-CB 3.5Å; E170-Q174 PolarHBondContact O-N 2.94Å |
| 171 | R | 61.7 | Low | 55.7 | Low | 137 Ų | 137 | 95.2 Ų | 95.2 | 52% | 0.517 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.7 | -43.1 | 174.5 | -164 | -177.3 | 82.1 | -146.5 | -0.2 | 112 | N167 E168 V169 H173 Q174 E175 | N167-R171 WeakPolarHBondContact O-CB 3.41Å; N167-R171 PolarHBondContact O-N 3.15Å; E168-R171 VanDerWaalsContact CD-CZ 3.49Å; E168-R171 PolarHBondContact O-N 3.41Å; E168-R171 IonicContact OE1-CZ 2.7Å; E168-R171 IonicContact OE1-NH1 3.93Å; E168-R171 IonicContact OE1-NH2 2.72Å; E168-R171 PolarHBondContact OE1-NH2 3.07Å; E168-R171 IonicContact OE2-CZ 2.62Å; E168-R171 IonicContact OE2-NH1 2.89Å; E168-R171 PolarHBondContact OE2-NH1 2.93Å; E168-R171 IonicContact OE2-NH2 3.04Å; E168-R171 PolarHBondContact OE2-NH2 3.13Å; V169-R171 VanDerWaalsContact C-N 3.33Å; R171-H173 VanDerWaalsContact C-N 3.34Å; R171-Q174 PolarHBondContact O-N 3.27Å; R171-E175 WeakPolarHBondContact O-CB 3.43Å; R171-E175 PolarHBondContact O-N 3.21Å |
| 172 | I | 57.8 | Low | 57.3 | Low | 78 Ų | 78 | 99.9 Ų | 99.9 | 40% | 0.4 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.7 | -40.9 | 176.8 | -70.4 | 162.7 | 0 | 0 | 0 | 110.4 | E168 V169 E175 N176 | E168-I172 HydrophobicContact CG-CD1 4.02Å; E168-I172 WeakPolarHBondContact O-CB 3.46Å; E168-I172 WeakPolarHBondContact O-CD1 3.46Å; E168-I172 WeakPolarHBondContact O-CG1 3.46Å; E168-I172 PolarHBondContact O-N 3.03Å; V169-I172 PolarHBondContact O-N 2.9Å; I172-E175 PolarHBondContact O-N 2.93Å; I172-N176 WeakPolarHBondContact O-CB 3.3Å; I172-N176 VanDerWaalsContact O-CG 3.23Å; I172-N176 PolarHBondContact O-N 3.41Å; I172-N176 PolarHBondContact O-ND2 3.16Å |
| 173 | H | 63.5 | Low | 58.8 | Low | 113 Ų | 113 | 98.4 Ų | 98.4 | 52% | 0.523 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.8 | -47.4 | 177.3 | -174.2 | 68.9 | 0 | 0 | 0 | 111.6 | V169 E170 R171 E175 N176 L177 | V169-H173 WeakPolarHBondContact O-CB 3.49Å; V169-H173 PolarHBondContact O-N 3.41Å; E170-H173 PolarHBondContact O-N 3.27Å; R171-H173 VanDerWaalsContact C-N 3.34Å; H173-E175 VanDerWaalsContact C-N 3.31Å; H173-E175 PolarHBondContact O-N 3.21Å; H173-N176 PolarHBondContact O-N 3.03Å; H173-L177 WeakPolarHBondContact O-CG 3.26Å; H173-L177 PolarHBondContact O-N 3.18Å |
| 174 | Q | 65.9 | Low | 60.4 | Low | 108 Ų | 108 | 99.7 Ų | 99.7 | 51% | 0.505 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.5 | -41.2 | 176.4 | -156.5 | 73.8 | 9.8 | 0 | 0 | 111.1 | E170 R171 L177 E178 | E170-Q174 VanDerWaalsContact O-CB 3.31Å; E170-Q174 WeakPolarHBondContact O-CB 3.5Å; E170-Q174 PolarHBondContact O-N 2.94Å; R171-Q174 PolarHBondContact O-N 3.27Å; Q174-L177 PolarHBondContact O-N 2.96Å; Q174-E178 WeakPolarHBondContact O-CB 3.31Å; Q174-E178 VanDerWaalsContact O-CG 3.31Å; Q174-E178 WeakPolarHBondContact O-CG 3.22Å; Q174-E178 PolarHBondContact O-N 3.36Å |
| 175 | E | 71.7 | Confident | 61.6 | Low | 60 Ų | 60 | 100.9 Ų | 100.9 | 28% | 0.28 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.2 | -39.6 | 176.1 | -175.1 | -176.8 | 161.4 | 0 | 0 | 111.9 | R171 I172 H173 E178 R179 | R171-E175 WeakPolarHBondContact O-CB 3.43Å; R171-E175 PolarHBondContact O-N 3.21Å; I172-E175 PolarHBondContact O-N 2.93Å; H173-E175 VanDerWaalsContact C-N 3.31Å; H173-E175 PolarHBondContact O-N 3.21Å; E175-E178 PolarHBondContact O-N 3.35Å; E175-R179 WeakPolarHBondContact O-CB 3.49Å; E175-R179 WeakPolarHBondContact O-CG 3.48Å; E175-R179 PolarHBondContact O-N 3.45Å; E175-R179 IonicContact OE1-CZ 2.68Å; E175-R179 IonicContact OE1-NH1 3.67Å; E175-R179 PolarHBondContact OE1-NH1 3.47Å; E175-R179 IonicContact OE1-NH2 2.8Å; E175-R179 PolarHBondContact OE1-NH2 3.13Å |
| 176 | N | 66.3 | Low | 63.3 | Low | 76 Ų | 76 | 101 Ų | 101 | 41% | 0.406 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.1 | -42.3 | 174.8 | -76.1 | -20.6 | 0 | 0 | 0 | 111.6 | I172 H173 R179 L180 | I172-N176 WeakPolarHBondContact O-CB 3.3Å; I172-N176 VanDerWaalsContact O-CG 3.23Å; I172-N176 PolarHBondContact O-N 3.41Å; I172-N176 PolarHBondContact O-ND2 3.16Å; H173-N176 PolarHBondContact O-N 3.03Å; N176-R179 PolarHBondContact O-N 3.29Å; N176-L180 WeakPolarHBondContact O-CB 3.36Å; N176-L180 VanDerWaalsContact O-CG 3.27Å; N176-L180 WeakPolarHBondContact O-CG 3.33Å; N176-L180 PolarHBondContact O-N 3.22Å |
| 177 | L | 71.6 | Confident | 64.8 | Low | 86 Ų | 86 | 104.5 Ų | 104.5 | 45% | 0.45 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.2 | -42.5 | 174.6 | -71.8 | 176.8 | 0 | 0 | 0 | 111.6 | H173 Q174 L180 S181 | H173-L177 WeakPolarHBondContact O-CG 3.26Å; H173-L177 PolarHBondContact O-N 3.18Å; Q174-L177 PolarHBondContact O-N 2.96Å; L177-L180 PolarHBondContact O-N 3.32Å; L177-S181 WeakPolarHBondContact O-CB 3.37Å; L177-S181 PolarHBondContact O-N 2.96Å |
| 178 | E | 72.8 | Confident | 65.6 | Low | 99 Ų | 99 | 102.9 Ų | 102.9 | 46% | 0.463 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.3 | -45.6 | 176.3 | -77.7 | 177.9 | -172.5 | 0 | 0 | 111.3 | Q174 E175 L180 S181 Q182 | Q174-E178 WeakPolarHBondContact O-CB 3.31Å; Q174-E178 VanDerWaalsContact O-CG 3.31Å; Q174-E178 WeakPolarHBondContact O-CG 3.22Å; Q174-E178 PolarHBondContact O-N 3.36Å; E175-E178 PolarHBondContact O-N 3.35Å; E178-L180 VanDerWaalsContact C-N 3.33Å; E178-L180 PolarHBondContact O-N 2.93Å; E178-S181 WeakPolarHBondContact CA-OG 3.41Å; E178-S181 PolarHBondContact O-N 3.42Å; E178-S181 VanDerWaalsContact O-N 3.12Å; E178-S181 PolarHBondContact O-OG 3.3Å; E178-Q182 WeakPolarHBondContact O-CB 3.44Å; E178-Q182 VanDerWaalsContact O-CG 3.32Å; E178-Q182 WeakPolarHBondContact O-CG 3.42Å; E178-Q182 PolarHBondContact O-N 2.92Å |
| 179 | R | 69.3 | Low | 66.3 | Low | 139 Ų | 139 | 103.9 Ų | 103.9 | 53% | 0.525 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.5 | -44.8 | 173.9 | -84.5 | -166.8 | 179.5 | 105.3 | 12 | 111.9 | E175 N176 S181 Q182 L183 | E175-R179 WeakPolarHBondContact O-CB 3.49Å; E175-R179 WeakPolarHBondContact O-CG 3.48Å; E175-R179 PolarHBondContact O-N 3.45Å; E175-R179 IonicContact OE1-CZ 2.68Å; E175-R179 IonicContact OE1-NH1 3.67Å; E175-R179 PolarHBondContact OE1-NH1 3.47Å; E175-R179 IonicContact OE1-NH2 2.8Å; E175-R179 PolarHBondContact OE1-NH2 3.13Å; N176-R179 PolarHBondContact O-N 3.29Å; R179-S181 VanDerWaalsContact C-N 3.28Å; R179-S181 PolarHBondContact O-N 3.1Å; R179-Q182 PolarHBondContact O-N 2.89Å; R179-L183 WeakPolarHBondContact O-CG 3.42Å; R179-L183 PolarHBondContact O-N 3.15Å |
| 180 | L | 65.2 | Low | 67.5 | Low | 110 Ų | 110 | 107 Ų | 107 | 58% | 0.576 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.9 | -33.9 | 176.8 | -75.4 | 167.9 | 0 | 0 | 0 | 112.2 | N176 L177 E178 L183 | N176-L180 WeakPolarHBondContact O-CB 3.36Å; N176-L180 VanDerWaalsContact O-CG 3.27Å; N176-L180 WeakPolarHBondContact O-CG 3.33Å; N176-L180 PolarHBondContact O-N 3.22Å; L177-L180 PolarHBondContact O-N 3.32Å; E178-L180 VanDerWaalsContact C-N 3.33Å; E178-L180 PolarHBondContact O-N 2.93Å; L180-L183 HydrophobicContact CD2-CD1 4.24Å |
| 181 | S | 73.7 | Confident | 68.3 | Low | 94 Ų | 94 | 104.7 Ų | 104.7 | 66% | 0.657 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -75.5 | -27.9 | 176.3 | 76.4 | 0 | 0 | 0 | 0 | 113.9 | L177 E178 R179 | L177-S181 WeakPolarHBondContact O-CB 3.37Å; L177-S181 PolarHBondContact O-N 2.96Å; E178-S181 WeakPolarHBondContact CA-OG 3.41Å; E178-S181 PolarHBondContact O-N 3.42Å; E178-S181 VanDerWaalsContact O-N 3.12Å; E178-S181 PolarHBondContact O-OG 3.3Å; R179-S181 VanDerWaalsContact C-N 3.28Å; R179-S181 PolarHBondContact O-N 3.1Å |
| 182 | Q | 69.7 | Low | 68.2 | Low | 145 Ų | 145 | 106 Ų | 106 | 68% | 0.678 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -85.6 | -21.3 | 179.3 | -72.4 | 176.9 | 16.4 | 0 | 0 | 113 | E178 R179 T184 | E178-Q182 WeakPolarHBondContact O-CB 3.44Å; E178-Q182 VanDerWaalsContact O-CG 3.32Å; E178-Q182 WeakPolarHBondContact O-CG 3.42Å; E178-Q182 PolarHBondContact O-N 2.92Å; R179-Q182 PolarHBondContact O-N 2.89Å; Q182-T184 PolarHBondContact O-N 3.15Å |
| 183 | L | 66.4 | Low | 68.6 | Low | 63 Ų | 63 | 108.9 Ų | 108.9 | 33% | 0.33 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -59.2 | 124.5 | 175.1 | -90.1 | 160.9 | 0 | 0 | 0 | 109.7 | R179 L180 E187 I188 | R179-L183 WeakPolarHBondContact O-CG 3.42Å; R179-L183 PolarHBondContact O-N 3.15Å; L180-L183 HydrophobicContact CD2-CD1 4.24Å; L183-E187 HydrophobicContact CD2-CB 3.63Å; L183-E187 HydrophobicContact CD2-CG 4.3Å; L183-I188 HydrophobicContact CB-CD1 4.26Å; L183-I188 HydrophobicContact CB-CG1 3.9Å |
| 184 | T | 73.5 | Confident | 69.1 | Low | 76 Ų | 76 | 108.9 Ų | 108.9 | 47% | 0.466 | 52% | 0.521 | S | S | . | . | trans | -66.1 | 149.1 | -179.8 | 56.2 | 0 | 0 | 0 | 0 | 110.3 | Q182 K186 E187 I188 | Q182-T184 PolarHBondContact O-N 3.15Å; T184-K186 PolarHBondContact O-N 3.24Å; T184-E187 PolarHBondContact N-OE2 3.37Å; T184-E187 PolarHBondContact O-N 3Å; T184-E187 PolarHBondContact OG1-N 3.05Å; T184-E187 PolarHBondContact OG1-OE2 3.4Å; T184-I188 WeakPolarHBondContact O-CG1 3.22Å; T184-I188 PolarHBondContact O-N 3.08Å | ||
| 185 | E | 66 | Low | 68.8 | Low | 162 Ų | 162 | 109.1 Ų | 109.1 | 76% | 0.757 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -54.1 | -28.2 | 178.2 | -162.9 | 177 | -165.6 | 0 | 0 | 112.2 | L189 | E185-L189 WeakPolarHBondContact O-CB 3.22Å; E185-L189 VanDerWaalsContact O-CG 3.25Å; E185-L189 WeakPolarHBondContact O-CG 3.39Å; E185-L189 PolarHBondContact O-N 3.42Å |
| 186 | K | 72.3 | Confident | 68.3 | Low | 165 Ų | 165 | 109.8 Ų | 109.8 | 72% | 0.717 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -69.9 | -46.5 | 172.3 | -72.3 | -173.9 | 176.8 | -178.3 | 0 | 113.8 | T184 I188 L189 E190 | T184-K186 PolarHBondContact O-N 3.24Å; K186-I188 VanDerWaalsContact C-N 3.3Å; K186-I188 PolarHBondContact O-N 3.12Å; K186-L189 WeakPolarHBondContact O-CB 3.47Å; K186-L189 PolarHBondContact O-N 3.29Å; K186-L189 VanDerWaalsContact O-N 3.13Å; K186-E190 PolarHBondContact O-N 2.85Å |
| 187 | E | 71.8 | Confident | 68.5 | Low | 92 Ų | 92 | 110.4 Ų | 110.4 | 43% | 0.43 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.8 | -37.7 | 175.5 | -78.9 | 169.5 | 134.3 | 0 | 0 | 111.4 | L183 T184 L189 E190 E191 | L183-E187 HydrophobicContact CD2-CB 3.63Å; L183-E187 HydrophobicContact CD2-CG 4.3Å; T184-E187 PolarHBondContact N-OE2 3.37Å; T184-E187 PolarHBondContact O-N 3Å; T184-E187 PolarHBondContact OG1-N 3.05Å; T184-E187 PolarHBondContact OG1-OE2 3.4Å; E187-L189 VanDerWaalsContact C-N 3.27Å; E187-L189 PolarHBondContact O-N 2.98Å; E187-E190 PolarHBondContact O-N 3.32Å; E187-E191 WeakPolarHBondContact O-CB 3.48Å; E187-E191 PolarHBondContact O-N 3.2Å |
| 188 | I | 64.6 | Low | 68 | Low | 81 Ų | 81 | 114.9 Ų | 114.9 | 42% | 0.415 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -60.7 | -41.2 | 172.5 | -62.3 | 173.2 | 0 | 0 | 0 | 109.7 | L183 T184 K186 R192 | L183-I188 HydrophobicContact CB-CD1 4.26Å; L183-I188 HydrophobicContact CB-CG1 3.9Å; T184-I188 WeakPolarHBondContact O-CG1 3.22Å; T184-I188 PolarHBondContact O-N 3.08Å; K186-I188 VanDerWaalsContact C-N 3.3Å; K186-I188 PolarHBondContact O-N 3.12Å; I188-R192 WeakPolarHBondContact O-CB 3.37Å; I188-R192 PolarHBondContact O-N 3.16Å |
| 189 | L | 65.8 | Low | 67.1 | Low | 96 Ų | 96 | 111.7 Ų | 111.7 | 50% | 0.503 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.3 | -41.1 | 175.6 | -78.8 | 167.1 | 0 | 0 | 0 | 112.9 | E185 K186 E187 R192 E193 | E185-L189 WeakPolarHBondContact O-CB 3.22Å; E185-L189 VanDerWaalsContact O-CG 3.25Å; E185-L189 WeakPolarHBondContact O-CG 3.39Å; E185-L189 PolarHBondContact O-N 3.42Å; K186-L189 WeakPolarHBondContact O-CB 3.47Å; K186-L189 PolarHBondContact O-N 3.29Å; K186-L189 VanDerWaalsContact O-N 3.13Å; E187-L189 VanDerWaalsContact C-N 3.27Å; E187-L189 PolarHBondContact O-N 2.98Å; L189-R192 CarbonylContact O-C 3.58Å; L189-R192 PolarHBondContact O-N 3.01Å; L189-E193 WeakPolarHBondContact O-CB 3.47Å; L189-E193 PolarHBondContact O-N 2.86Å |
| 190 | E | 73.3 | Confident | 66.8 | Low | 128 Ų | 128 | 110 Ų | 110 | 60% | 0.598 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -67.5 | -44.4 | 177.8 | -75.8 | -177.5 | -176.4 | 0 | 0 | 112.3 | K186 E187 R192 E193 K194 | K186-E190 PolarHBondContact O-N 2.85Å; E187-E190 PolarHBondContact O-N 3.32Å; E190-R192 VanDerWaalsContact C-N 3.32Å; E190-E193 PolarHBondContact O-N 3.44Å; E190-K194 PolarHBondContact O-N 2.77Å |
| 191 | E | 70.6 | Confident | 66.8 | Low | 91 Ų | 91 | 109.2 Ų | 109.2 | 43% | 0.425 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67.6 | -36 | 174 | -80.9 | -59.8 | 144 | 0 | 0 | 110.9 | E187 E193 K194 I195 | E187-E191 WeakPolarHBondContact O-CB 3.48Å; E187-E191 PolarHBondContact O-N 3.2Å; E191-E193 VanDerWaalsContact C-N 3.35Å; E191-E193 PolarHBondContact O-N 3.22Å; E191-K194 PolarHBondContact O-N 3.12Å; E191-K194 WeakPolarHBondContact OE1-CD 3Å; E191-K194 IonicContact OE1-NZ 2.79Å; E191-K194 PolarHBondContact OE1-NZ 3.14Å; E191-I195 WeakPolarHBondContact O-CB 3.01Å; E191-I195 WeakPolarHBondContact O-CD1 3.42Å; E191-I195 WeakPolarHBondContact O-CG1 3.25Å; E191-I195 PolarHBondContact O-N 3.28Å |
| 192 | R | 61 | Low | 66.3 | Low | 163 Ų | 163 | 110.6 Ų | 110.6 | 62% | 0.615 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.3 | -41.9 | 171.6 | -163.4 | 178.1 | -165.6 | 175.2 | 5.5 | 110.8 | I188 L189 E190 I195 L196 | I188-R192 WeakPolarHBondContact O-CB 3.37Å; I188-R192 PolarHBondContact O-N 3.16Å; L189-R192 CarbonylContact O-C 3.58Å; L189-R192 PolarHBondContact O-N 3.01Å; E190-R192 VanDerWaalsContact C-N 3.32Å; R192-I195 PolarHBondContact O-N 2.78Å; R192-L196 HydrophobicContact CG-CD1 4.19Å; R192-L196 HydrophobicContact CG-CG 4.49Å; R192-L196 VanDerWaalsContact O-CB 3.27Å; R192-L196 WeakPolarHBondContact O-CB 2.91Å; R192-L196 WeakPolarHBondContact O-CD1 3.49Å; R192-L196 WeakPolarHBondContact O-CG 3.38Å; R192-L196 PolarHBondContact O-N 3.23Å |
| 193 | E | 66.7 | Low | 65.8 | Low | 139 Ų | 139 | 107.4 Ų | 107.4 | 65% | 0.65 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.4 | -40.1 | 174 | -84.1 | -161.7 | 163.7 | 0 | 0 | 112.6 | L189 E190 E191 L196 S197 | L189-E193 WeakPolarHBondContact O-CB 3.47Å; L189-E193 PolarHBondContact O-N 2.86Å; E190-E193 PolarHBondContact O-N 3.44Å; E191-E193 VanDerWaalsContact C-N 3.35Å; E191-E193 PolarHBondContact O-N 3.22Å; E193-L196 CarbonylContact O-C 3.56Å; E193-L196 WeakPolarHBondContact O-CB 3.26Å; E193-L196 PolarHBondContact O-N 2.88Å; E193-S197 WeakPolarHBondContact O-CB 3.38Å; E193-S197 PolarHBondContact O-N 2.97Å |
| 194 | K | 72.2 | Confident | 65.3 | Low | 113 Ų | 113 | 105.8 Ų | 105.8 | 49% | 0.491 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.7 | -47.5 | 172.1 | -83.4 | 178.4 | -174.1 | 167.4 | 0 | 111.5 | E190 E191 L196 S197 F198 | E190-K194 PolarHBondContact O-N 2.77Å; E191-K194 PolarHBondContact O-N 3.12Å; E191-K194 WeakPolarHBondContact OE1-CD 3Å; E191-K194 IonicContact OE1-NZ 2.79Å; E191-K194 PolarHBondContact OE1-NZ 3.14Å; K194-L196 VanDerWaalsContact C-N 3.29Å; K194-L196 PolarHBondContact O-N 2.85Å; K194-S197 PolarHBondContact O-N 3.01Å; K194-S197 VanDerWaalsContact O-N 3.11Å; K194-S197 PolarHBondContact O-OG 3.38Å; K194-F198 PolarHBondContact O-N 2.99Å; K194-F198 VanDerWaalsContact O-N 3.1Å |
| 195 | I | 60.9 | Low | 64.6 | Low | 114 Ų | 114 | 105.1 Ų | 105.1 | 59% | 0.585 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62 | -41.5 | 177.1 | -66.9 | 163.5 | 0 | 0 | 0 | 109.9 | E191 R192 S197 F198 A199 | E191-I195 WeakPolarHBondContact O-CB 3.01Å; E191-I195 WeakPolarHBondContact O-CD1 3.42Å; E191-I195 WeakPolarHBondContact O-CG1 3.25Å; E191-I195 PolarHBondContact O-N 3.28Å; R192-I195 PolarHBondContact O-N 2.78Å; I195-S197 VanDerWaalsContact C-N 3.31Å; I195-S197 PolarHBondContact O-N 2.64Å; I195-F198 PolarHBondContact O-N 2.94Å; I195-A199 VanDerWaalsContact O-CB 3.25Å; I195-A199 WeakPolarHBondContact O-CB 3.13Å; I195-A199 PolarHBondContact O-N 3.23Å |
| 196 | L | 60.9 | Low | 64.4 | Low | 73 Ų | 73 | 103.6 Ų | 103.6 | 38% | 0.382 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.4 | -36.5 | 174.5 | -71.8 | 166.6 | 0 | 0 | 0 | 112 | R192 E193 K194 F198 A199 L204 | R192-L196 HydrophobicContact CG-CD1 4.19Å; R192-L196 HydrophobicContact CG-CG 4.49Å; R192-L196 VanDerWaalsContact O-CB 3.27Å; R192-L196 WeakPolarHBondContact O-CB 2.91Å; R192-L196 WeakPolarHBondContact O-CD1 3.49Å; R192-L196 WeakPolarHBondContact O-CG 3.38Å; R192-L196 PolarHBondContact O-N 3.23Å; E193-L196 CarbonylContact O-C 3.56Å; E193-L196 WeakPolarHBondContact O-CB 3.26Å; E193-L196 PolarHBondContact O-N 2.88Å; K194-L196 VanDerWaalsContact C-N 3.29Å; K194-L196 PolarHBondContact O-N 2.85Å; L196-F198 VanDerWaalsContact C-N 3.31Å; L196-F198 PolarHBondContact O-N 3.47Å; L196-A199 PolarHBondContact O-N 3.48Å; L196-L204 HydrophobicContact CD2-CD1 3.98Å; L196-L204 HydrophobicContact CD2-CD2 3.1Å; L196-L204 HydrophobicContact CD2-CG 4.02Å; L196-L204 WeakPolarHBondContact O-CD1 3.46Å |
| 197 | S | 69.5 | Low | 63.5 | Low | 89 Ų | 89 | 100.7 Ų | 100.7 | 62% | 0.622 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -70.9 | -27.2 | 178.7 | 77.5 | 0 | 0 | 0 | 0 | 113.1 | E193 K194 I195 | E193-S197 WeakPolarHBondContact O-CB 3.38Å; E193-S197 PolarHBondContact O-N 2.97Å; K194-S197 PolarHBondContact O-N 3.01Å; K194-S197 VanDerWaalsContact O-N 3.11Å; K194-S197 PolarHBondContact O-OG 3.38Å; I195-S197 VanDerWaalsContact C-N 3.31Å; I195-S197 PolarHBondContact O-N 2.64Å |
| 198 | F | 62.3 | Low | 63.1 | Low | 181 Ų | 181 | 100.2 Ų | 100.2 | 79% | 0.794 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -95.1 | -15 | 177.2 | -89.8 | -83.5 | 0 | 0 | 0 | 113.5 | K194 I195 L196 | K194-F198 PolarHBondContact O-N 2.99Å; K194-F198 VanDerWaalsContact O-N 3.1Å; I195-F198 PolarHBondContact O-N 2.94Å; L196-F198 VanDerWaalsContact C-N 3.31Å; L196-F198 PolarHBondContact O-N 3.47Å |
| 199 | A | 54.4 | Low | 62.9 | Low | 32 Ų | 32 | 102.1 Ų | 102.1 | 26% | 0.264 | 52% | 0.519 | S | S | . | . | S | Bend | trans | -78.3 | 134.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | I195 L196 L204 | I195-A199 VanDerWaalsContact O-CB 3.25Å; I195-A199 WeakPolarHBondContact O-CB 3.13Å; I195-A199 PolarHBondContact O-N 3.23Å; L196-A199 PolarHBondContact O-N 3.48Å; A199-L204 HydrophobicContact CB-CD1 3.78Å; A199-L204 HydrophobicContact CB-CG 3.93Å |
| 200 | D | 61.6 | Low | 62.2 | Low | 102 Ų | 102 | 104.2 Ų | 104.2 | 55% | 0.545 | 52% | 0.524 | S | S | . | . | trans | -58.8 | 128.7 | 176.1 | -155.2 | -22.4 | 0 | 0 | 0 | 110.1 | N202 V203 L204 | D200-N202 PolarHBondContact O-N 3.42Å; D200-V203 HydrophobicContact CB-CB 4.43Å; D200-V203 HydrophobicContact CB-CG2 4.1Å; D200-V203 PolarHBondContact O-N 2.96Å; D200-L204 PolarHBondContact O-N 3.04Å | ||
| 201 | P | 64.8 | Low | 61.1 | Low | 94 Ų | 94 | 100.4 Ų | 100.4 | 61% | 0.61 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -51.6 | -29.5 | -176.7 | -30.2 | 34.2 | 0 | 0 | 0 | 114.5 | L204 S205 | P201-L204 WeakPolarHBondContact O-CB 3.31Å; P201-S205 WeakPolarHBondContact O-CB 3.14Å; P201-S205 PolarHBondContact O-N 3.23Å; P201-S205 PolarHBondContact O-OG 3.15Å |
| 202 | N | 64.9 | Low | 60 | Low | 123 Ų | 123 | 104.4 Ų | 104.4 | 66% | 0.658 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -74 | -37.7 | 177.2 | -74 | -16.9 | 0 | 0 | 0 | 113.2 | D200 L204 S205 F206 | D200-N202 PolarHBondContact O-N 3.42Å; N202-L204 VanDerWaalsContact C-N 3.29Å; N202-S205 WeakPolarHBondContact CA-OG 3.31Å; N202-S205 PolarHBondContact O-OG 3.11Å; N202-F206 WeakPolarHBondContact O-CB 3.4Å; N202-F206 PolarHBondContact O-N 2.85Å; N202-F206 VanDerWaalsContact O-N 3.07Å |
| 203 | V | 58.5 | Low | 59 | Low | 79 Ų | 79 | 102.2 Ų | 102.2 | 48% | 0.479 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.9 | -38.1 | 172.9 | 177.4 | 0 | 0 | 0 | 0 | 109.3 | D200 F206 L207 | D200-V203 HydrophobicContact CB-CB 4.43Å; D200-V203 HydrophobicContact CB-CG2 4.1Å; D200-V203 PolarHBondContact O-N 2.96Å; V203-F206 PolarHBondContact O-N 3.1Å; V203-L207 HydrophobicContact CG1-CD1 3.99Å; V203-L207 HydrophobicContact CG1-CG 4.38Å; V203-L207 WeakPolarHBondContact O-CB 3.41Å; V203-L207 WeakPolarHBondContact O-CG 3.44Å; V203-L207 PolarHBondContact O-N 2.86Å |
| 204 | L | 56.7 | Low | 57.6 | Low | 29 Ų | 29 | 103.3 Ų | 103.3 | 15% | 0.152 | 54% | 0.538 | C | S | . | . | H | α-helix | trans | -63.6 | -47.1 | 175.5 | -105.4 | 167.4 | 0 | 0 | 0 | 113 | L196 A199 D200 P201 N202 F206 L207 I208 | L196-L204 HydrophobicContact CD2-CD1 3.98Å; L196-L204 HydrophobicContact CD2-CD2 3.1Å; L196-L204 HydrophobicContact CD2-CG 4.02Å; L196-L204 WeakPolarHBondContact O-CD1 3.46Å; A199-L204 HydrophobicContact CB-CD1 3.78Å; A199-L204 HydrophobicContact CB-CG 3.93Å; D200-L204 PolarHBondContact O-N 3.04Å; P201-L204 WeakPolarHBondContact O-CB 3.31Å; N202-L204 VanDerWaalsContact C-N 3.29Å; L204-F206 VanDerWaalsContact C-N 3.28Å; L204-F206 PolarHBondContact O-N 3.19Å; L204-L207 PolarHBondContact O-N 2.86Å; L204-I208 HydrophobicContact CD2-CD1 3.86Å; L204-I208 HydrophobicContact CD2-CG1 4.26Å; L204-I208 VanDerWaalsContact O-CB 3.28Å; L204-I208 WeakPolarHBondContact O-CB 3.46Å; L204-I208 WeakPolarHBondContact O-CD1 3.29Å; L204-I208 WeakPolarHBondContact O-CG1 2.99Å; L204-I208 PolarHBondContact O-N 2.96Å |
| 205 | S | 57.4 | Low | 56 | Low | 61 Ų | 61 | 106.7 Ų | 106.7 | 43% | 0.427 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.2 | -38.6 | 176.1 | 66.6 | 0 | 0 | 0 | 0 | 110.9 | P201 N202 Q209 | P201-S205 WeakPolarHBondContact O-CB 3.14Å; P201-S205 PolarHBondContact O-N 3.23Å; P201-S205 PolarHBondContact O-OG 3.15Å; N202-S205 WeakPolarHBondContact CA-OG 3.31Å; N202-S205 PolarHBondContact O-OG 3.11Å; S205-Q209 WeakPolarHBondContact O-CB 3.23Å; S205-Q209 PolarHBondContact O-N 2.66Å |
| 206 | F | 62.6 | Low | 54.7 | Low | 131 Ų | 131 | 107.2 Ų | 107.2 | 58% | 0.575 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64.3 | -47.1 | 174 | -174.9 | -95.6 | 0 | 0 | 0 | 113 | N202 V203 L204 Q209 K210 | N202-F206 WeakPolarHBondContact O-CB 3.4Å; N202-F206 PolarHBondContact O-N 2.85Å; N202-F206 VanDerWaalsContact O-N 3.07Å; V203-F206 PolarHBondContact O-N 3.1Å; L204-F206 VanDerWaalsContact C-N 3.28Å; L204-F206 PolarHBondContact O-N 3.19Å; F206-Q209 PolarHBondContact O-N 3.23Å; F206-K210 WeakPolarHBondContact O-CB 3.37Å; F206-K210 PolarHBondContact O-N 2.8Å |
| 207 | L | 53 | Low | 53.2 | Low | 104 Ų | 104 | 107.9 Ų | 107.9 | 55% | 0.545 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -67.3 | -40.3 | 178.8 | -73.2 | 173 | 0 | 0 | 0 | 112 | V203 L204 Q209 K210 G211 | V203-L207 HydrophobicContact CG1-CD1 3.99Å; V203-L207 HydrophobicContact CG1-CG 4.38Å; V203-L207 WeakPolarHBondContact O-CB 3.41Å; V203-L207 WeakPolarHBondContact O-CG 3.44Å; V203-L207 PolarHBondContact O-N 2.86Å; L204-L207 PolarHBondContact O-N 2.86Å; L207-Q209 VanDerWaalsContact C-N 3.35Å; L207-K210 PolarHBondContact O-N 2.82Å; L207-G211 PolarHBondContact O-N 2.98Å |
| 208 | I | 63.8 | Low | 51.1 | Low | 82 Ų | 82 | 110.8 Ų | 110.8 | 42% | 0.421 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -66.6 | -39.3 | 174.5 | -67.5 | 167.2 | 0 | 0 | 0 | 110 | L204 G211 R212 | L204-I208 HydrophobicContact CD2-CD1 3.86Å; L204-I208 HydrophobicContact CD2-CG1 4.26Å; L204-I208 VanDerWaalsContact O-CB 3.28Å; L204-I208 WeakPolarHBondContact O-CB 3.46Å; L204-I208 WeakPolarHBondContact O-CD1 3.29Å; L204-I208 WeakPolarHBondContact O-CG1 2.99Å; L204-I208 PolarHBondContact O-N 2.96Å; I208-G211 PolarHBondContact O-N 3.49Å; I208-R212 HydrophobicContact CG2-CG 4.37Å; I208-R212 WeakPolarHBondContact O-CB 3.35Å; I208-R212 WeakPolarHBondContact O-CG 3.44Å; I208-R212 PolarHBondContact O-N 3.15Å |
| 209 | Q | 60.2 | Low | 49.5 | Very low | 120 Ų | 120 | 109.2 Ų | 109.2 | 56% | 0.561 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -65.5 | -42.3 | 176.2 | -174.1 | 160.3 | 23.5 | 0 | 0 | 111.2 | S205 F206 L207 R212 N213 | S205-Q209 WeakPolarHBondContact O-CB 3.23Å; S205-Q209 PolarHBondContact O-N 2.66Å; F206-Q209 PolarHBondContact O-N 3.23Å; L207-Q209 VanDerWaalsContact C-N 3.35Å; Q209-R212 PolarHBondContact O-N 2.91Å; Q209-N213 WeakPolarHBondContact O-CB 3.47Å; Q209-N213 VanDerWaalsContact O-CG 3.22Å; Q209-N213 PolarHBondContact O-N 3.03Å; Q209-N213 PolarHBondContact O-OD1 3.24Å |
| 210 | K | 49.9 | Very low | 48 | Very low | 141 Ų | 141 | 113.5 Ų | 113.5 | 61% | 0.613 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -63.2 | -42 | 173.3 | -168 | 171.9 | -178.5 | 176.6 | 0 | 111.7 | F206 L207 | F206-K210 WeakPolarHBondContact O-CB 3.37Å; F206-K210 PolarHBondContact O-N 2.8Å; L207-K210 PolarHBondContact O-N 2.82Å |
| 211 | G | 50.2 | Low | 46.2 | Very low | 48 Ų | 48 | 117.6 Ų | 117.6 | 50% | 0.495 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -66.9 | -36.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114 | L207 I208 | L207-G211 PolarHBondContact O-N 2.98Å; I208-G211 PolarHBondContact O-N 3.49Å |
| 212 | R | 47.8 | Very low | 44.3 | Very low | 175 Ų | 175 | 119.7 Ų | 119.7 | 66% | 0.66 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -76.5 | -34.4 | 176.9 | -77.9 | -178.2 | 173.2 | 169.2 | -0.7 | 112.8 | I208 Q209 M214 K215 N216 | I208-R212 HydrophobicContact CG2-CG 4.37Å; I208-R212 WeakPolarHBondContact O-CB 3.35Å; I208-R212 WeakPolarHBondContact O-CG 3.44Å; I208-R212 PolarHBondContact O-N 3.15Å; Q209-R212 PolarHBondContact O-N 2.91Å; R212-M214 PolarHBondContact O-N 3.22Å; R212-M214 VanDerWaalsContact O-N 3.17Å; R212-K215 PolarHBondContact O-N 3.06Å; R212-N216 PolarHBondContact O-N 3.21Å |
| 213 | N | 39.8 | Very low | 42.1 | Very low | 116 Ų | 116 | 123.9 Ų | 123.9 | 62% | 0.62 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -63.1 | -19.8 | 176.1 | -77.5 | -2.6 | 0 | 0 | 0 | 113 | Q209 | Q209-N213 WeakPolarHBondContact O-CB 3.47Å; Q209-N213 VanDerWaalsContact O-CG 3.22Å; Q209-N213 PolarHBondContact O-N 3.03Å; Q209-N213 PolarHBondContact O-OD1 3.24Å |
| 214 | M | 37.9 | Very low | 40.3 | Very low | 163 Ų | 163 | 126.4 Ų | 126.4 | 80% | 0.803 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | -16.7 | 173.2 | -73.2 | -124.6 | 79.4 | 0 | 0 | 114.6 | R212 | R212-M214 PolarHBondContact O-N 3.22Å; R212-M214 VanDerWaalsContact O-N 3.17Å |
| 215 | K | 39.1 | Very low | 38.7 | Very low | 183 Ų | 183 | 132.4 Ų | 132.4 | 80% | 0.796 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.6 | -15.9 | -176 | -73.7 | -168.4 | 175.5 | -176.2 | 0 | 115.7 | R212 | R212-K215 PolarHBondContact O-N 3.06Š|
| 216 | N | 32.9 | Very low | 37 | Very low | 126 Ų | 126 | 137.4 Ų | 137.4 | 67% | 0.674 | 71% | 0.708 | S | S | * | * | trans | -121.2 | 36.3 | -173.8 | -67.1 | -0.6 | 0 | 0 | 0 | 113.9 | R212 D218 | R212-N216 PolarHBondContact O-N 3.21Å; N216-D218 PolarHBondContact O-N 2.96Å | ||
| 217 | A | 29.5 | Very low | 35.2 | Very low | 87 Ų | 87 | 140.4 Ų | 140.4 | 72% | 0.719 | 72% | 0.723 | S | S | * | * | trans | -71.8 | 72.3 | 160.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 218 | D | 26.6 | Very low | 33.7 | Very low | 150 Ų | 150 | 144 Ų | 144 | 80% | 0.802 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -178.7 | 73.4 | 159.5 | -91.6 | -17.9 | 0 | 0 | 0 | 109.1 | N216 | N216-D218 PolarHBondContact O-N 2.96Š|
| 219 | T | 28.2 | Very low | 31.8 | Very low | 147 Ų | 147 | 148.5 Ų | 148.5 | 90% | 0.902 | 76% | 0.761 | S | S | * | * | trans | 168.8 | 146.6 | 141.5 | 31.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 220 | V | 23 | Very low | 29.9 | Very low | 122 Ų | 122 | 148 Ų | 148 | 74% | 0.739 | 77% | 0.771 | S | S | * | * | trans | -101.5 | 154.1 | -156.1 | 160.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 221 | K | 23.1 | Very low | 28.9 | Very low | 188 Ų | 188 | 146.1 Ų | 146.1 | 82% | 0.817 | 78% | 0.776 | S | S | * | * | trans | 77.4 | 121.9 | 163.6 | -75.7 | 156.3 | -171 | -177.2 | 0 | 117.8 | ||||
| 222 | T | 25.4 | Very low | 27.6 | Very low | 139 Ų | 139 | 153.4 Ų | 153.4 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | 174.4 | 138.2 | 89.5 | -50.2 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 223 | R | 19.3 | Very low | 26.7 | Very low | 210 Ų | 210 | 151.1 Ų | 151.1 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | trans | -54 | 141.2 | 176.5 | 179.6 | 178.2 | 178.9 | 156.1 | 0.8 | 114.1 | E225 | R223-E225 IonicContact NE-OE1 3.69Š| ||
| 224 | C | 20.3 | Very low | 26.1 | Very low | 133 Ų | 133 | 152 Ų | 152 | 90% | 0.899 | 81% | 0.811 | S | S | * | * | trans | -133.4 | 131.4 | 163.7 | -133.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 225 | E | 23.4 | Very low | 25.4 | Very low | 154 Ų | 154 | 152 Ų | 152 | 72% | 0.72 | 82% | 0.815 | S | S | * | * | trans | -90 | 145.1 | -166.2 | -68.2 | 171.3 | 159.1 | 0 | 0 | 111.8 | R223 | R223-E225 IonicContact NE-OE1 3.69Š| ||
| 226 | I | 21.3 | Very low | 25.1 | Very low | 167 Ų | 167 | 148.1 Ų | 148.1 | 86% | 0.856 | 81% | 0.811 | S | S | * | * | trans | -76.5 | 121.1 | -180 | -63.7 | 162.2 | 0 | 0 | 0 | 107.9 | ||||
| 227 | Q | 25.4 | Very low | 25 | Very low | 193 Ų | 193 | 149.6 Ų | 149.6 | 90% | 0.902 | 82% | 0.818 | S | S | * | * | trans | -107.7 | 112 | 172.3 | -138.1 | 170.1 | 24.1 | 0 | 0 | 109.1 | ||||
| 228 | E | 21 | Very low | 24.9 | Very low | 179 Ų | 179 | 153.6 Ų | 153.6 | 84% | 0.836 | 83% | 0.826 | S | S | * | * | trans | -59.2 | 128.8 | 175 | -64.6 | 172.6 | 141.2 | 0 | 0 | 110.9 | ||||
| 229 | L | 22.7 | Very low | 25.3 | Very low | 177 Ų | 177 | 151.8 Ų | 151.8 | 93% | 0.927 | 83% | 0.825 | S | S | * | * | trans | -118.1 | 96.6 | 159 | -135.5 | 87.5 | 0 | 0 | 0 | 109.2 | ||||
| 230 | S | 21.1 | Very low | 25.8 | Very low | 109 Ų | 109 | 150.5 Ų | 150.5 | 76% | 0.762 | 82% | 0.822 | S | S | * | * | trans | -77.6 | 120.2 | 169 | 150.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 231 | S | 29.5 | Very low | 26.6 | Very low | 103 Ų | 103 | 148.8 Ų | 148.8 | 72% | 0.72 | 82% | 0.815 | S | S | * | * | trans | -147.8 | 113.2 | 151.4 | 56.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 232 | K | 23.3 | Very low | 27.8 | Very low | 201 Ų | 201 | 146.1 Ų | 146.1 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 130.2 | 171.6 | -68.8 | 174.1 | 175.5 | 176.9 | 0 | 109.3 | ||
| 233 | P | 28.8 | Very low | 28.9 | Very low | 126 Ų | 126 | 144.4 Ų | 144.4 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -97.3 | 133.7 | 162.1 | 28.7 | -16 | 0 | 0 | 0 | 110.4 | ||
| 234 | T | 26.5 | Very low | 30.6 | Very low | 135 Ų | 135 | 139.1 Ų | 139.1 | 83% | 0.828 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 147.4 | -175.6 | -42.9 | 0 | 0 | 0 | 0 | 111.9 | ||
| 235 | N | 23.6 | Very low | 32 | Very low | 163 Ų | 163 | 136.3 Ų | 136.3 | 87% | 0.872 | 78% | 0.778 | S | S | * | * | trans | -43.2 | 126.9 | 171.9 | -71.3 | -26.9 | 0 | 0 | 0 | 114.8 | ||||
| 236 | S | 32.9 | Very low | 33.3 | Very low | 102 Ų | 102 | 132.4 Ų | 132.4 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | trans | -162.9 | 116.3 | 145.8 | 57.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 237 | D | 30.1 | Very low | 34.9 | Very low | 156 Ų | 156 | 129.4 Ų | 129.4 | 83% | 0.834 | 75% | 0.754 | S | S | * | * | trans | 46.9 | 97.5 | 143.7 | -56.7 | -23.3 | 0 | 0 | 0 | 120.4 | S239 | D237-S239 PolarHBondContact O-N 3.42Š| ||
| 238 | I | 27.1 | Very low | 36.6 | Very low | 171 Ų | 171 | 129.1 Ų | 129.1 | 88% | 0.877 | 75% | 0.749 | S | S | * | * | trans | -0.9 | 101.7 | 134.5 | -52.1 | 165.5 | 0 | 0 | 0 | 114.9 | ||||
| 239 | S | 34.7 | Very low | 37.9 | Very low | 113 Ų | 113 | 124.5 Ų | 124.5 | 79% | 0.79 | 73% | 0.729 | S | S | * | * | trans | 163.3 | 74.3 | 132 | 63.6 | 0 | 0 | 0 | 0 | 112.3 | D237 | D237-S239 PolarHBondContact O-N 3.42Š| ||
| 240 | S | 40.2 | Very low | 38.8 | Very low | 119 Ų | 119 | 123.1 Ų | 123.1 | 83% | 0.832 | 72% | 0.722 | S | S | * | * | trans | -156.7 | 124.7 | 162.4 | 48.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 241 | S | 39.8 | Very low | 40.1 | Very low | 86 Ų | 86 | 125.2 Ų | 125.2 | 60% | 0.601 | 72% | 0.72 | S | S | * | * | trans | -60.2 | 153.2 | 174.3 | -81.6 | 0 | 0 | 0 | 0 | 111.7 | L243 | S241-L243 VanDerWaalsContact C-N 3.3Å; S241-L243 PolarHBondContact O-N 2.84Å | ||
| 242 | P | 46.8 | Very low | 41 | Very low | 133 Ų | 133 | 123.7 Ų | 123.7 | 86% | 0.864 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -79.3 | -6 | -171.5 | 1.8 | 13.9 | 0 | 0 | 0 | 114.9 | ||
| 243 | L | 48.5 | Very low | 42.6 | Very low | 103 Ų | 103 | 119 Ų | 119 | 54% | 0.539 | 69% | 0.687 | S | S | . | * | trans | -123.1 | 116.1 | -178.8 | -80.6 | 146 | 0 | 0 | 0 | 109.5 | S241 L255 L260 | S241-L243 VanDerWaalsContact C-N 3.3Å; S241-L243 PolarHBondContact O-N 2.84Å; L243-L255 WeakPolarHBondContact O-CD1 3.19Å; L243-L260 HydrophobicContact CD1-CD2 4.21Å | ||
| 244 | S | 55.1 | Low | 43.7 | Very low | 99 Ų | 99 | 118.2 Ų | 118.2 | 69% | 0.692 | 68% | 0.679 | S | S | * | * | trans | -85.7 | 142.6 | 168.1 | 55 | 0 | 0 | 0 | 0 | 110.1 | D246 | S244-D246 PolarHBondContact O-N 3.31Š| ||
| 245 | P | 49.5 | Very low | 44.9 | Very low | 74 Ų | 74 | 114 Ų | 114 | 48% | 0.481 | 65% | 0.651 | S | S | . | * | trans | -59.7 | 124.6 | 175.7 | 23.8 | -31.6 | 0 | 0 | 0 | 109.9 | L255 | P245-L255 HydrophobicContact CB-CD1 4.23Å; P245-L255 HydrophobicContact CB-CG 4.15Å | ||
| 246 | D | 51.4 | Low | 46.7 | Very low | 72 Ų | 72 | 111.2 Ų | 111.2 | 39% | 0.385 | 63% | 0.633 | S | S | . | * | trans | -113.8 | 102.6 | 176 | -164 | -9.4 | 0 | 0 | 0 | 109.6 | S244 K248 I249 M252 | S244-D246 PolarHBondContact O-N 3.31Å; D246-K248 PolarHBondContact O-N 2.87Å; D246-K248 PolarHBondContact OD1-N 3.34Å; D246-I249 HydrophobicContact CB-CD1 4.45Å; D246-I249 PolarHBondContact O-N 3.47Å; D246-M252 PolarHBondContact N-O 3.36Å | ||
| 247 | P | 55.9 | Low | 47.9 | Very low | 104 Ų | 104 | 111 Ų | 111 | 68% | 0.675 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | -7.1 | -177.3 | 27.4 | -34.2 | 0 | 0 | 0 | 113.5 | I249 | P247-I249 PolarHBondContact O-N 3.5Š|
| 248 | K | 59.6 | Low | 48.9 | Very low | 186 Ų | 186 | 109.8 Ų | 109.8 | 81% | 0.809 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | -19.9 | 170.6 | -77.8 | 178.8 | 177.7 | 175 | 0 | 113 | D246 | D246-K248 PolarHBondContact O-N 2.87Å; D246-K248 PolarHBondContact OD1-N 3.34Å |
| 249 | I | 49.6 | Very low | 50 | Low | 82 Ų | 82 | 107.5 Ų | 107.5 | 42% | 0.421 | 60% | 0.604 | S | S | . | * | S | Bend | trans | -96.8 | 115.2 | 175.7 | -54.3 | 171.8 | 0 | 0 | 0 | 107.1 | D246 P247 H251 M252 | D246-I249 HydrophobicContact CB-CD1 4.45Å; D246-I249 PolarHBondContact O-N 3.47Å; P247-I249 PolarHBondContact O-N 3.5Å; I249-H251 PolarHBondContact O-N 2.68Å; I249-M252 HydrophobicContact CB-CB 3.75Å; I249-M252 HydrophobicContact CB-CE 4.29Å; I249-M252 HydrophobicContact CB-CG 4.5Å; I249-M252 HydrophobicContact CD1-CE 4.1Å; I249-M252 HydrophobicContact CG2-CB 4.04Å; I249-M252 HydrophobicContact CG2-CE 3.7Å; I249-M252 WeakPolarHBondContact O-CB 3.49Å; I249-M252 PolarHBondContact O-N 2.9Å |
| 250 | L | 41.3 | Very low | 50.7 | Low | 148 Ų | 148 | 104.2 Ų | 104.2 | 78% | 0.775 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.6 | 122.8 | 179.6 | -165.3 | 78.5 | 0 | 0 | 0 | 109.6 | ||
| 251 | H | 48.4 | Very low | 51.1 | Low | 154 Ų | 154 | 104.3 Ų | 104.3 | 71% | 0.713 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 75.2 | 15.3 | -176.5 | -49.2 | -60.3 | 0 | 0 | 0 | 116.8 | I249 D253 | I249-H251 PolarHBondContact O-N 2.68Å; H251-D253 WeakPolarHBondContact CA-OD1 3.21Å; H251-D253 PolarHBondContact N-OD1 3.49Å |
| 252 | M | 48.9 | Very low | 51.5 | Low | 71 Ų | 71 | 109.9 Ų | 109.9 | 35% | 0.35 | 57% | 0.573 | S | S | . | * | trans | -105.5 | 16.1 | 171.6 | -154.5 | 84.9 | 67.7 | 0 | 0 | 112.8 | D246 I249 L255 | D246-M252 PolarHBondContact N-O 3.36Å; I249-M252 HydrophobicContact CB-CB 3.75Å; I249-M252 HydrophobicContact CB-CE 4.29Å; I249-M252 HydrophobicContact CB-CG 4.5Å; I249-M252 HydrophobicContact CD1-CE 4.1Å; I249-M252 HydrophobicContact CG2-CB 4.04Å; I249-M252 HydrophobicContact CG2-CE 3.7Å; I249-M252 WeakPolarHBondContact O-CB 3.49Å; I249-M252 PolarHBondContact O-N 2.9Å; M252-L255 HydrophobicContact CG-CD2 4.06Å; M252-L255 HydrophobicContact SD-CD2 4.01Å | ||
| 253 | D | 56.1 | Low | 51.4 | Low | 103 Ų | 103 | 107.1 Ų | 107.1 | 55% | 0.551 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -79 | -27.2 | 176.2 | 42.9 | -43 | 0 | 0 | 0 | 112.4 | H251 | H251-D253 WeakPolarHBondContact CA-OD1 3.21Å; H251-D253 PolarHBondContact N-OD1 3.49Å |
| 254 | V | 51.6 | Low | 51.3 | Low | 109 Ų | 109 | 110.7 Ų | 110.7 | 66% | 0.661 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -123.7 | 102.9 | 173.9 | -176.5 | 0 | 0 | 0 | 0 | 108.8 | E256 | V254-E256 PolarHBondContact O-N 3.24Š|
| 255 | L | 50.8 | Low | 50.8 | Low | 46 Ų | 46 | 112 Ų | 112 | 24% | 0.241 | 56% | 0.56 | C | S | . | * | trans | -73 | 110.9 | 173.9 | -68.4 | 179.7 | 0 | 0 | 0 | 109.7 | L243 P245 M252 V257 L260 | L243-L255 WeakPolarHBondContact O-CD1 3.19Å; P245-L255 HydrophobicContact CB-CD1 4.23Å; P245-L255 HydrophobicContact CB-CG 4.15Å; M252-L255 HydrophobicContact CG-CD2 4.06Å; M252-L255 HydrophobicContact SD-CD2 4.01Å; L255-V257 PolarHBondContact O-N 3.46Å; L255-V257 VanDerWaalsContact O-N 3.11Å; L255-L260 HydrophobicContact CB-CD1 3.77Å; L255-L260 HydrophobicContact CD1-CD1 4.08Å; L255-L260 HydrophobicContact CD2-CD1 4.18Å; L255-L260 HydrophobicContact CG-CD1 4.22Å | ||
| 256 | E | 61.9 | Low | 50.4 | Low | 105 Ų | 105 | 113.7 Ų | 113.7 | 49% | 0.491 | 56% | 0.564 | S | S | . | * | trans | -69.9 | 103.3 | 170.7 | -72.8 | 179.2 | -147.5 | 0 | 0 | 109.3 | V254 D258 K259 L260 | V254-E256 PolarHBondContact O-N 3.24Å; E256-D258 VanDerWaalsContact C-N 3.26Å; E256-D258 PolarHBondContact O-N 3.3Å; E256-K259 HydrophobicContact CB-CB 4.04Å; E256-K259 HydrophobicContact CB-CD 4.32Å; E256-K259 HydrophobicContact CB-CG 4.29Å; E256-K259 CarbonylContact O-C 3.58Å; E256-K259 WeakPolarHBondContact O-CA 3.35Å; E256-K259 PolarHBondContact O-N 3.47Å; E256-K259 IonicContact OE1-NZ 3.83Å; E256-K259 PolarHBondContact OE1-NZ 2.88Å; E256-K259 WeakPolarHBondContact OE2-CD 3.37Å; E256-K259 WeakPolarHBondContact OE2-CE 3.36Å; E256-K259 WeakPolarHBondContact OE2-CG 3.23Å; E256-K259 IonicContact OE2-NZ 3.38Å; E256-K259 PolarHBondContact OE2-NZ 3.01Å; E256-L260 PolarHBondContact O-N 3.02Å | ||
| 257 | V | 58.3 | Low | 50 | Low | 97 Ų | 97 | 114.3 Ų | 114.3 | 59% | 0.588 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -53.6 | -43 | -175.9 | -178.3 | 0 | 0 | 0 | 0 | 111.5 | L255 K259 L260 E261 | L255-V257 PolarHBondContact O-N 3.46Å; L255-V257 VanDerWaalsContact O-N 3.11Å; V257-K259 VanDerWaalsContact C-N 3.3Å; V257-K259 PolarHBondContact O-N 3.41Å; V257-L260 CarbonylContact O-C 3.37Å; V257-L260 WeakPolarHBondContact O-CA 3.35Å; V257-L260 PolarHBondContact O-N 3.03Å; V257-E261 WeakPolarHBondContact O-CG 3.17Å; V257-E261 PolarHBondContact O-N 3.28Å |
| 258 | D | 51.8 | Low | 49.4 | Very low | 130 Ų | 130 | 114.4 Ų | 114.4 | 70% | 0.695 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -61.7 | -35.4 | 179 | -55.1 | -6.6 | 0 | 0 | 0 | 112.5 | E256 L260 | E256-D258 VanDerWaalsContact C-N 3.26Å; E256-D258 PolarHBondContact O-N 3.3Å; D258-L260 VanDerWaalsContact C-N 3.29Å |
| 259 | K | 49.8 | Very low | 48.4 | Very low | 123 Ų | 123 | 111.4 Ų | 111.4 | 54% | 0.535 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -79.6 | -6.3 | 173.3 | -77.6 | -172.6 | -173.7 | 142.8 | 0 | 113.1 | E256 V257 W262 | E256-K259 HydrophobicContact CB-CB 4.04Å; E256-K259 HydrophobicContact CB-CD 4.32Å; E256-K259 HydrophobicContact CB-CG 4.29Å; E256-K259 CarbonylContact O-C 3.58Å; E256-K259 WeakPolarHBondContact O-CA 3.35Å; E256-K259 PolarHBondContact O-N 3.47Å; E256-K259 IonicContact OE1-NZ 3.83Å; E256-K259 PolarHBondContact OE1-NZ 2.88Å; E256-K259 WeakPolarHBondContact OE2-CD 3.37Å; E256-K259 WeakPolarHBondContact OE2-CE 3.36Å; E256-K259 WeakPolarHBondContact OE2-CG 3.23Å; E256-K259 IonicContact OE2-NZ 3.38Å; E256-K259 PolarHBondContact OE2-NZ 3.01Å; V257-K259 VanDerWaalsContact C-N 3.3Å; V257-K259 PolarHBondContact O-N 3.41Å; K259-W262 VanDerWaalsContact C-CD1 3.44Å; K259-W262 PolarHBondContact O-NE1 3.33Å |
| 260 | L | 49 | Very low | 47.7 | Very low | 45 Ų | 45 | 110 Ų | 110 | 24% | 0.236 | 57% | 0.57 | C | S | . | * | H | α-helix | trans | -99.8 | -22.9 | 170.3 | -69.8 | 168.4 | 0 | 0 | 0 | 111.2 | L243 L255 E256 V257 D258 W262 T263 | L243-L260 HydrophobicContact CD1-CD2 4.21Å; L255-L260 HydrophobicContact CB-CD1 3.77Å; L255-L260 HydrophobicContact CD1-CD1 4.08Å; L255-L260 HydrophobicContact CD2-CD1 4.18Å; L255-L260 HydrophobicContact CG-CD1 4.22Å; E256-L260 PolarHBondContact O-N 3.02Å; V257-L260 CarbonylContact O-C 3.37Å; V257-L260 WeakPolarHBondContact O-CA 3.35Å; V257-L260 PolarHBondContact O-N 3.03Å; D258-L260 VanDerWaalsContact C-N 3.29Å; L260-W262 PolarHBondContact O-N 3.47Å; L260-T263 PolarHBondContact O-N 2.99Å; L260-T263 PolarHBondContact O-OG1 3.33Å |
| 261 | E | 49.3 | Very low | 47.4 | Very low | 121 Ų | 121 | 108.8 Ų | 108.8 | 57% | 0.565 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -56.9 | -35.1 | 176.4 | -75.9 | -170.9 | 163.9 | 0 | 0 | 113.1 | V257 T263 R264 | V257-E261 WeakPolarHBondContact O-CG 3.17Å; V257-E261 PolarHBondContact O-N 3.28Å; E261-T263 VanDerWaalsContact C-N 3.25Å; E261-T263 PolarHBondContact O-N 3.48Å; E261-R264 WeakPolarHBondContact O-CB 3.31Å; E261-R264 PolarHBondContact O-N 3.42Å |
| 262 | W | 48.4 | Very low | 46.4 | Very low | 202 Ų | 202 | 109.7 Ų | 109.7 | 77% | 0.765 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | -18.4 | 177 | 77.3 | -85.7 | 0 | 0 | 0 | 114 | K259 L260 R264 | K259-W262 VanDerWaalsContact C-CD1 3.44Å; K259-W262 PolarHBondContact O-NE1 3.33Å; L260-W262 PolarHBondContact O-N 3.47Å; W262-R264 VanDerWaalsContact C-N 3.35Å |
| 263 | T | 44.3 | Very low | 45.7 | Very low | 76 Ų | 76 | 109.7 Ų | 109.7 | 47% | 0.466 | 57% | 0.571 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.4 | -6.1 | 174.9 | 64.6 | 0 | 0 | 0 | 0 | 112.9 | L260 E261 | L260-T263 PolarHBondContact O-N 2.99Å; L260-T263 PolarHBondContact O-OG1 3.33Å; E261-T263 VanDerWaalsContact C-N 3.25Å; E261-T263 PolarHBondContact O-N 3.48Å |
| 264 | R | 46.8 | Very low | 44.3 | Very low | 178 Ų | 178 | 110.7 Ų | 110.7 | 67% | 0.672 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -68.9 | 137.4 | 173.8 | -63.3 | -177.2 | 69.7 | 113.6 | 2.8 | 109.1 | E261 W262 L266 | E261-R264 WeakPolarHBondContact O-CB 3.31Å; E261-R264 PolarHBondContact O-N 3.42Å; W262-R264 VanDerWaalsContact C-N 3.35Å; R264-L266 PolarHBondContact O-N 2.8Å |
| 265 | D | 43.5 | Very low | 43 | Very low | 127 Ų | 127 | 110.2 Ų | 110.2 | 68% | 0.679 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -48.3 | 130.3 | 165.3 | -94.3 | -1.1 | 0 | 0 | 0 | 110.5 | K271 | D265-K271 VanDerWaalsContact CG-NZ 3.3Å; D265-K271 IonicContact OD2-NZ 2.98Å; D265-K271 PolarHBondContact OD2-NZ 2.99Å |
| 266 | L | 41 | Very low | 41.7 | Very low | 109 Ų | 109 | 114.9 Ų | 114.9 | 57% | 0.571 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -47.2 | 139 | 175.3 | -76.9 | 157.7 | 0 | 0 | 0 | 110.3 | R264 A270 K271 | R264-L266 PolarHBondContact O-N 2.8Å; L266-A270 HydrophobicContact CB-CB 4.07Å; L266-A270 HydrophobicContact CD2-CB 3.94Å; L266-A270 HydrophobicContact CG-CB 4.5Å; L266-K271 HydrophobicContact CB-CG 4.11Å; L266-K271 WeakPolarHBondContact O-CE 3.28Å |
| 267 | P | 44 | Very low | 39.8 | Very low | 84 Ų | 84 | 117.4 Ų | 117.4 | 55% | 0.545 | 63% | 0.627 | S | S | . | * | P | Polyproline II helix | trans | -53.7 | 148.4 | 174.4 | 20.3 | -30 | 0 | 0 | 0 | 109.9 | V269 A270 K271 | P267-V269 PolarHBondContact O-N 3.12Å; P267-A270 HydrophobicContact CG-CB 4.25Å; P267-A270 WeakPolarHBondContact O-CA 2.92Å; P267-A270 PolarHBondContact O-N 2.97Å; P267-K271 PolarHBondContact O-N 2.92Å; P267-K271 VanDerWaalsContact O-N 3.16Å |
| 268 | P | 42 | Very low | 38.1 | Very low | 106 Ų | 106 | 118.9 Ų | 118.9 | 69% | 0.688 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.9 | -20.9 | -171.6 | 18.8 | -30.6 | 0 | 0 | 0 | 114.1 | ||
| 269 | V | 38.7 | Very low | 36.7 | Very low | 124 Ų | 124 | 116.6 Ų | 116.6 | 75% | 0.752 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | -36.8 | 172.2 | -176.2 | 0 | 0 | 0 | 0 | 112.1 | P267 K272 | P267-V269 PolarHBondContact O-N 3.12Å; V269-K272 PolarHBondContact O-N 3.19Å |
| 270 | A | 35.8 | Very low | 35.5 | Very low | 52 Ų | 52 | 117.9 Ų | 117.9 | 43% | 0.43 | 64% | 0.638 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.7 | -17.8 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | L266 P267 K272 | L266-A270 HydrophobicContact CB-CB 4.07Å; L266-A270 HydrophobicContact CD2-CB 3.94Å; L266-A270 HydrophobicContact CG-CB 4.5Å; P267-A270 HydrophobicContact CG-CB 4.25Å; P267-A270 WeakPolarHBondContact O-CA 2.92Å; P267-A270 PolarHBondContact O-N 2.97Å; A270-K272 PolarHBondContact O-N 2.97Å |
| 271 | K | 35.8 | Very low | 34.2 | Very low | 122 Ų | 122 | 120.5 Ų | 120.5 | 53% | 0.53 | 66% | 0.656 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.4 | -13.6 | 166.6 | -70.4 | -171.7 | 177.3 | -173.2 | 0 | 113 | D265 L266 P267 A273 | D265-K271 VanDerWaalsContact CG-NZ 3.3Å; D265-K271 IonicContact OD2-NZ 2.98Å; D265-K271 PolarHBondContact OD2-NZ 2.99Å; L266-K271 HydrophobicContact CB-CG 4.11Å; L266-K271 WeakPolarHBondContact O-CE 3.28Å; P267-K271 PolarHBondContact O-N 2.92Å; P267-K271 VanDerWaalsContact O-N 3.16Å; K271-A273 VanDerWaalsContact C-N 3.25Å; K271-A273 PolarHBondContact O-N 3.46Å |
| 272 | K | 25.9 | Very low | 33 | Very low | 174 Ų | 174 | 122.3 Ų | 122.3 | 76% | 0.757 | 67% | 0.669 | S | S | * | * | trans | -78.3 | 82.3 | 163.6 | -72.9 | -174.9 | 175.8 | -175.2 | 0 | 108.5 | V269 A270 | V269-K272 PolarHBondContact O-N 3.19Å; A270-K272 PolarHBondContact O-N 2.97Å | ||
| 273 | A | 34.3 | Very low | 32 | Very low | 70 Ų | 70 | 118.7 Ų | 118.7 | 58% | 0.579 | 68% | 0.675 | S | S | * | * | trans | -53.3 | 145.1 | 149.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | K271 S275 | K271-A273 VanDerWaalsContact C-N 3.25Å; K271-A273 PolarHBondContact O-N 3.46Å; A273-S275 PolarHBondContact O-N 3.48Å | ||
| 274 | P | 27.1 | Very low | 31 | Very low | 124 Ų | 124 | 123.7 Ų | 123.7 | 81% | 0.805 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -50.5 | 112.4 | 166.5 | 21.3 | -29.7 | 0 | 0 | 0 | 107 | V276 | P274-V276 PolarHBondContact O-N 2.94Š|
| 275 | S | 24.5 | Very low | 30.1 | Very low | 100 Ų | 100 | 123.6 Ų | 123.6 | 70% | 0.699 | 70% | 0.702 | S | S | * | * | trans | -65.8 | 117.7 | -162.8 | 39.1 | 0 | 0 | 0 | 0 | 110.3 | A273 E277 | A273-S275 PolarHBondContact O-N 3.48Å; S275-E277 PolarHBondContact O-N 3.27Å | ||
| 276 | V | 23.9 | Very low | 29.3 | Very low | 143 Ų | 143 | 123 Ų | 123 | 87% | 0.867 | 70% | 0.703 | S | S | * | * | trans | -86.6 | 88.4 | 161.7 | 179.5 | 0 | 0 | 0 | 0 | 106.3 | P274 | P274-V276 PolarHBondContact O-N 2.94Š| ||
| 277 | E | 21.4 | Very low | 28.6 | Very low | 158 Ų | 158 | 122.9 Ų | 122.9 | 74% | 0.738 | 71% | 0.712 | S | S | * | * | trans | -87.8 | 103 | 168.9 | -79.2 | -174.2 | 177.8 | 0 | 0 | 109.2 | S275 S279 | S275-E277 PolarHBondContact O-N 3.27Å; E277-S279 VanDerWaalsContact C-N 3.34Å; E277-S279 PolarHBondContact O-N 3.12Å | ||
| 278 | L | 23.5 | Very low | 27.7 | Very low | 128 Ų | 128 | 123.3 Ų | 123.3 | 67% | 0.67 | 72% | 0.723 | S | S | * | * | trans | -86.9 | 81.2 | 158.2 | -167.1 | 73.4 | 0 | 0 | 0 | 107.2 | N280 | L278-N280 PolarHBondContact O-N 2.85Š| ||
| 279 | S | 22.5 | Very low | 27 | Very low | 82 Ų | 82 | 125.5 Ų | 125.5 | 57% | 0.573 | 73% | 0.729 | S | S | * | * | trans | -75.1 | 109.6 | 168.4 | 48.3 | 0 | 0 | 0 | 0 | 108.7 | E277 T281 | E277-S279 VanDerWaalsContact C-N 3.34Å; E277-S279 PolarHBondContact O-N 3.12Å; S279-T281 PolarHBondContact O-N 3.5Å | ||
| 280 | N | 23.4 | Very low | 26.4 | Very low | 150 Ų | 150 | 128.1 Ų | 128.1 | 80% | 0.802 | 73% | 0.732 | S | S | * | * | trans | -64.3 | 78.4 | 164.5 | -76.7 | -22.3 | 0 | 0 | 0 | 109.4 | L278 | L278-N280 PolarHBondContact O-N 2.85Š| ||
| 281 | T | 21.5 | Very low | 25.7 | Very low | 100 Ų | 100 | 130.8 Ų | 130.8 | 61% | 0.613 | 75% | 0.754 | S | S | * | * | trans | -137.4 | 97 | 169 | 56.8 | 0 | 0 | 0 | 0 | 107.8 | S279 | S279-T281 PolarHBondContact O-N 3.5Š| ||
| 282 | N | 25.2 | Very low | 25.4 | Very low | 159 Ų | 159 | 130.3 Ų | 130.3 | 85% | 0.85 | 77% | 0.766 | S | S | * | * | trans | 175 | 69 | 146.4 | -81.7 | -16.8 | 0 | 0 | 0 | 109.5 | ||||
| 283 | S | 27.1 | Very low | 25.3 | Very low | 127 Ų | 127 | 126.7 Ų | 126.7 | 89% | 0.888 | 76% | 0.763 | S | S | * | * | trans | -117.9 | 61.7 | 143.2 | 50.5 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 284 | M | 23.7 | Very low | 25.2 | Very low | 180 Ų | 180 | 130.7 Ų | 130.7 | 89% | 0.887 | 78% | 0.775 | S | S | * | * | trans | -106.6 | 58.8 | 169 | -162.9 | 141 | 135.5 | 0 | 0 | 108 | ||||
| 285 | E | 27.2 | Very low | 25 | Very low | 176 Ų | 176 | 133.3 Ų | 133.3 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | trans | -90.1 | 103.2 | 163.3 | -78 | -169.4 | 168.4 | 0 | 0 | 108.8 | ||||
| 286 | T | 26.5 | Very low | 25.1 | Very low | 115 Ų | 115 | 135.5 Ų | 135.5 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | trans | 52.3 | 97.7 | 133.2 | 54.3 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 287 | S | 26 | Very low | 25.3 | Very low | 106 Ų | 106 | 136.8 Ų | 136.8 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | 45.1 | 102.5 | 120 | 58.6 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 288 | A | 24.9 | Very low | 25.4 | Very low | 94 Ų | 94 | 133.2 Ų | 133.2 | 78% | 0.777 | 77% | 0.773 | S | S | * | * | trans | 44.6 | 99.1 | 131.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 289 | N | 27.8 | Very low | 25.7 | Very low | 152 Ų | 152 | 134.3 Ų | 134.3 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | trans | -142 | 109.1 | 142.5 | -99.4 | -10.8 | 0 | 0 | 0 | 109.8 | ||||
| 290 | E | 26.3 | Very low | 25.8 | Very low | 178 Ų | 178 | 137.5 Ų | 137.5 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | trans | 53.6 | 114.4 | 134.8 | -61.4 | -177.2 | 163.3 | 0 | 0 | 119.6 | ||||
| 291 | A | 21 | Very low | 26 | Very low | 108 Ų | 108 | 138.3 Ų | 138.3 | 89% | 0.893 | 79% | 0.789 | S | S | * | * | trans | -65.8 | 125.1 | 164.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 292 | S | 29.8 | Very low | 26.2 | Very low | 112 Ų | 112 | 142.8 Ų | 142.8 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | trans | -160.1 | 116.2 | 145.7 | 58.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 293 | S | 24.4 | Very low | 26.2 | Very low | 99 Ų | 99 | 142.6 Ų | 142.6 | 69% | 0.692 | 80% | 0.8 | S | S | * | * | trans | 30.6 | 113.4 | 135.9 | -170.5 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 294 | D | 31.1 | Very low | 26.1 | Very low | 153 Ų | 153 | 139.2 Ų | 139.2 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | -168.3 | 125.7 | 108.3 | -86.5 | -15.3 | 0 | 0 | 0 | 110.2 | |||||
| 295 | H | 23.9 | Very low | 26 | Very low | 179 Ų | 179 | 139.6 Ų | 139.6 | 83% | 0.829 | 78% | 0.782 | S | S | * | * | trans | -56.6 | 143.6 | 160.5 | -77.3 | -87.2 | 0 | 0 | 0 | 109.1 | ||||
| 296 | L | 26.7 | Very low | 25.9 | Very low | 146 Ų | 146 | 140.1 Ų | 140.1 | 76% | 0.764 | 78% | 0.784 | S | S | * | * | 170.6 | 122.8 | 124 | -85 | 160.9 | 0 | 0 | 0 | 111.4 | |||||
| 297 | E | 27.1 | Very low | 25.7 | Very low | 171 Ų | 171 | 142.8 Ų | 142.8 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | trans | 76.1 | 115.6 | 138.3 | -64.8 | 177.5 | -176.5 | 0 | 0 | 121.5 | ||||
| 298 | A | 24 | Very low | 25.6 | Very low | 82 Ų | 82 | 143.9 Ų | 143.9 | 68% | 0.678 | 79% | 0.794 | S | S | * | * | trans | -60.4 | 132.9 | 165.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 299 | N | 29.7 | Very low | 25.7 | Very low | 152 Ų | 152 | 142 Ų | 142 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | trans | -140.9 | 102.6 | 150.9 | -86.4 | -41.1 | 0 | 0 | 0 | 107.6 | H301 | N299-H301 PolarHBondContact O-N 3.24Å; N299-H301 VanDerWaalsContact O-N 3.08Å | ||
| 300 | D | 23.9 | Very low | 25.9 | Very low | 148 Ų | 148 | 145.7 Ų | 145.7 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | trans | -65.1 | 98.2 | 173.3 | -64.6 | -40.9 | 0 | 0 | 0 | 109.8 | ||||
| 301 | H | 28.3 | Very low | 26.5 | Very low | 168 Ų | 168 | 143.2 Ų | 143.2 | 78% | 0.778 | 78% | 0.779 | S | S | * | * | trans | -128.4 | 92.6 | 156.2 | -83.3 | -58.3 | 0 | 0 | 0 | 108.6 | N299 I303 | N299-H301 PolarHBondContact O-N 3.24Å; N299-H301 VanDerWaalsContact O-N 3.08Å; H301-I303 VanDerWaalsContact C-N 3.33Å; H301-I303 PolarHBondContact O-N 2.87Å | ||
| 302 | E | 24.9 | Very low | 27.8 | Very low | 194 Ų | 194 | 144.3 Ų | 144.3 | 91% | 0.907 | 78% | 0.775 | S | S | * | * | trans | -58.1 | 89.1 | 168 | -65.4 | -179.7 | 151.8 | 0 | 0 | 110.1 | ||||
| 303 | I | 25.6 | Very low | 29.3 | Very low | 155 Ų | 155 | 143.5 Ų | 143.5 | 80% | 0.795 | 76% | 0.759 | S | S | * | * | trans | -91.3 | 97.9 | 160.1 | -62.5 | 177.4 | 0 | 0 | 0 | 105.9 | H301 K305 | H301-I303 VanDerWaalsContact C-N 3.33Å; H301-I303 PolarHBondContact O-N 2.87Å; I303-K305 PolarHBondContact O-N 3.41Å | ||
| 304 | G | 24.9 | Very low | 31.6 | Very low | 55 Ų | 55 | 143.3 Ų | 143.3 | 57% | 0.567 | 75% | 0.747 | S | S | * | * | trans | -51.5 | 119.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111 | H306 | G304-H306 VanDerWaalsContact C-N 3.35Å; G304-H306 PolarHBondContact O-N 2.97Å | ||
| 305 | K | 23 | Very low | 33.8 | Very low | 189 Ų | 189 | 137.3 Ų | 137.3 | 82% | 0.822 | 72% | 0.718 | S | S | * | * | trans | -63.1 | 92.8 | 168.2 | -72.1 | 176.9 | 174.8 | 179.8 | 0 | 108.8 | I303 E307 | I303-K305 PolarHBondContact O-N 3.41Å; K305-E307 VanDerWaalsContact C-N 3.31Å; K305-E307 PolarHBondContact O-N 3.43Å; K305-E307 VanDerWaalsContact O-N 3.09Å | ||
| 306 | H | 24.1 | Very low | 36.8 | Very low | 187 Ų | 187 | 128.9 Ų | 128.9 | 87% | 0.866 | 68% | 0.679 | S | S | * | * | trans | -76.4 | 86.3 | 165.5 | -84.5 | -86.4 | 0 | 0 | 0 | 108.8 | G304 C308 | G304-H306 VanDerWaalsContact C-N 3.35Å; G304-H306 PolarHBondContact O-N 2.97Å; H306-C308 PolarHBondContact O-N 3.36Å | ||
| 307 | E | 23 | Very low | 39.6 | Very low | 171 Ų | 171 | 122 Ų | 122 | 80% | 0.799 | 64% | 0.643 | S | S | * | * | trans | -70 | 110.9 | 164.3 | -70.4 | -179.9 | 176.5 | 0 | 0 | 108.1 | K305 G309 | K305-E307 VanDerWaalsContact C-N 3.31Å; K305-E307 PolarHBondContact O-N 3.43Å; K305-E307 VanDerWaalsContact O-N 3.09Å; E307-G309 PolarHBondContact O-N 3.26Å | ||
| 308 | C | 22.6 | Very low | 42.3 | Very low | 128 Ų | 128 | 114.3 Ų | 114.3 | 87% | 0.865 | 61% | 0.608 | S | S | * | * | trans | -72 | 70.8 | 175.2 | -172.1 | 0 | 0 | 0 | 0 | 109.8 | H306 R310 | H306-C308 PolarHBondContact O-N 3.36Å; C308-R310 PolarHBondContact O-N 3.14Å | ||
| 309 | G | 26.7 | Very low | 45.1 | Very low | 55 Ų | 55 | 111.3 Ų | 111.3 | 57% | 0.567 | 58% | 0.58 | S | S | * | * | trans | -72.3 | 110.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | E307 N311 | E307-G309 PolarHBondContact O-N 3.26Å; G309-N311 PolarHBondContact O-N 3.33Å | ||
| 310 | R | 33.2 | Very low | 47.4 | Very low | 230 Ų | 230 | 105.2 Ų | 105.2 | 87% | 0.868 | 55% | 0.549 | S | S | * | . | trans | -62.5 | 100.9 | 165.9 | -75 | 175.6 | 174.6 | 167.1 | -3 | 107.5 | C308 T312 | C308-R310 PolarHBondContact O-N 3.14Å; R310-T312 PolarHBondContact O-N 3.32Å | ||
| 311 | N | 38.5 | Very low | 50.1 | Low | 125 Ų | 125 | 98.1 Ų | 98.1 | 67% | 0.668 | 51% | 0.511 | S | S | * | . | trans | -63.5 | 98.7 | 172.9 | -70 | -12.8 | 0 | 0 | 0 | 108.9 | G309 H313 | G309-N311 PolarHBondContact O-N 3.33Å; N311-H313 VanDerWaalsContact CB-NE2 3.33Å; N311-H313 WeakPolarHBondContact CB-NE2 3.35Å; N311-H313 PolarHBondContact O-CD2 3.38Å; N311-H313 PolarHBondContact O-N 3.36Å; N311-H313 VanDerWaalsContact O-N 3.11Å | ||
| 312 | T | 49.3 | Very low | 52.7 | Low | 132 Ų | 132 | 91.6 Ų | 91.6 | 81% | 0.81 | 48% | 0.482 | S | S | * | . | trans | -75.8 | 96.7 | 174.8 | 50.3 | 0 | 0 | 0 | 0 | 108.8 | R310 | R310-T312 PolarHBondContact O-N 3.32Š| ||
| 313 | H | 60.5 | Low | 55.3 | Low | 94 Ų | 94 | 83.1 Ų | 83.1 | 44% | 0.435 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -87.6 | 148.1 | 175.1 | -66.3 | -69.2 | 0 | 0 | 0 | 111.5 | N311 | N311-H313 VanDerWaalsContact CB-NE2 3.33Å; N311-H313 WeakPolarHBondContact CB-NE2 3.35Å; N311-H313 PolarHBondContact O-CD2 3.38Å; N311-H313 PolarHBondContact O-N 3.36Å; N311-H313 VanDerWaalsContact O-N 3.11Å |
| 314 | Q | 71.7 | Confident | 57.8 | Low | 96 Ų | 96 | 76.3 Ų | 76.3 | 45% | 0.449 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -70 | 139.7 | 170.3 | -166.4 | 172.6 | 23.5 | 0 | 0 | 110.3 | R316 R345 T349 | Q314-R316 PolarHBondContact O-N 2.99Å; Q314-R345 PolarHBondContact O-NH1 3.49Å; Q314-T349 HydrophobicContact CB-CG2 4.36Å; Q314-T349 HydrophobicContact CG-CG2 3.98Å |
| 315 | A | 78.5 | Confident | 60.1 | Low | 26 Ų | 26 | 76.2 Ų | 76.2 | 22% | 0.215 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 127.6 | 176 | 0 | 0 | 0 | 0 | 0 | 110.6 | F317 V323 L388 | A315-F317 HydrophobicContact CB-CE2 4.23Å; A315-F317 HydrophobicContact CB-CZ 4.4Å; A315-V323 HydrophobicContact CB-CG1 4.42Å; A315-L388 HydrophobicContact CB-CD2 4.09Å |
| 316 | R | 85.8 | Confident | 62.2 | Low | 3 Ų | 3 | 70 Ų | 70 | 1% | 0.011 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 139.9 | 175.9 | -72.5 | 179.8 | 171.7 | -82.9 | -13 | 109.1 | Q314 V323 V324 E342 A346 G347 T349 E352 | Q314-R316 PolarHBondContact O-N 2.99Å; R316-V323 CarbonylContact O-C 3.57Å; R316-V323 WeakPolarHBondContact O-CA 3.13Å; R316-V324 PolarHBondContact O-N 2.6Å; R316-E342 IonicContact CZ-OE2 3.81Å; R316-E342 IonicContact NE-OE2 2.72Å; R316-E342 PolarHBondContact NE-OE2 3.47Å; R316-E342 IonicContact NH2-OE2 2.75Å; R316-E342 PolarHBondContact NH2-OE2 3.36Å; R316-A346 WeakPolarHBondContact CB-O 3.2Å; R316-G347 PolarHBondContact NH1-O 3.38Å; R316-T349 HydrophobicContact CG-CG2 3.74Å; R316-E352 IonicContact CZ-OE1 3.17Å; R316-E352 IonicContact CZ-OE2 3.2Å; R316-E352 IonicContact NH1-OE1 2.67Å; R316-E352 IonicContact NH1-OE2 3.3Å; R316-E352 PolarHBondContact NH1-OE2 3.42Å; R316-E352 IonicContact NH2-OE1 3.23Å; R316-E352 PolarHBondContact NH2-OE1 3.26Å; R316-E352 IonicContact NH2-OE2 3.78Å |
| 317 | F | 86.6 | Confident | 64.3 | Low | 1 Ų | 1 | 68.2 Ų | 68.2 | 0% | 0.004 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 140.1 | -176.1 | -60.6 | -95.3 | 0 | 0 | 0 | 110.4 | A315 L322 V323 G347 Y348 I350 M353 H384 L388 L396 | A315-F317 HydrophobicContact CB-CE2 4.23Å; A315-F317 HydrophobicContact CB-CZ 4.4Å; F317-L322 CarbonylContact C-O 3.54Å; F317-L322 VanDerWaalsContact CA-O 3.23Å; F317-L322 WeakPolarHBondContact CA-O 3.33Å; F317-V323 HydrophobicContact CD1-CG2 3.86Å; F317-V323 HydrophobicContact CE1-CG2 3.47Å; F317-V323 VanDerWaalsContact CE1-CG2 3.47Å; F317-V323 HydrophobicContact CZ-CG2 4.03Å; F317-G347 CarbonylContact O-C 3.5Å; F317-G347 WeakPolarHBondContact O-CA 3.33Å; F317-Y348 PolarHBondContact N-O 2.92Å; F317-Y348 PolarHBondContact O-N 3.46Å; F317-I350 HydrophobicContact CD2-CG1 4.42Å; F317-I350 HydrophobicContact CE2-CD1 4.14Å; F317-I350 HydrophobicContact CE2-CG1 3.76Å; F317-M353 HydrophobicContact CB-CE 3.63Å; F317-M353 HydrophobicContact CD2-CE 4.34Å; F317-M353 HydrophobicContact CG-CE 4.28Å; F317-H384 AromaticContact CE1-CE1 3.83Å; F317-H384 AromaticContact CE1-NE2 3.81Å; F317-L388 HydrophobicContact CZ-CD2 4.48Å; F317-L396 HydrophobicContact CE1-CD2 4.32Å; F317-L396 HydrophobicContact CZ-CD1 4.28Å; F317-L396 HydrophobicContact CZ-CD2 4.25Å |
| 318 | D | 83.4 | Confident | 66.4 | Low | 10 Ų | 10 | 61.9 Ų | 61.9 | 5% | 0.053 | 35% | 0.351 | C | S | . | . | trans | -74.3 | 178.6 | 168 | 78.6 | -2.3 | 0 | 0 | 0 | 110.5 | S320 G321 L322 V324 L336 | D318-S320 PolarHBondContact O-N 3.49Å; D318-S320 VanDerWaalsContact OD1-C 3.29Å; D318-S320 VanDerWaalsContact OD1-CA 3.32Å; D318-S320 WeakPolarHBondContact OD1-CA 3.25Å; D318-S320 WeakPolarHBondContact OD1-CB 3.39Å; D318-S320 PolarHBondContact OD1-N 2.85Å; D318-S320 PolarHBondContact OD1-OG 3.47Å; D318-S320 PolarHBondContact OD2-OG 3.25Å; D318-G321 PolarHBondContact O-N 2.97Å; D318-G321 VanDerWaalsContact O-N 3.13Å; D318-G321 PolarHBondContact OD1-N 2.72Å; D318-L322 PolarHBondContact N-O 3.16Å; D318-L322 PolarHBondContact OD1-N 3.03Å; D318-V324 HydrophobicContact CB-CG2 3.94Å; D318-L336 HydrophobicContact CB-CD2 4.17Å | ||
| 319 | L | 82.2 | Confident | 68.6 | Low | 18 Ų | 18 | 62.6 Ų | 62.6 | 9% | 0.094 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -13.8 | -179.9 | -66.6 | 145.5 | 0 | 0 | 0 | 113.7 | P154 I157 G321 L336 L367 M371 | P154-L319 HydrophobicContact CB-CB 4.1Å; P154-L319 HydrophobicContact CG-CB 3.25Å; P154-L319 HydrophobicContact CG-CD1 3.37Å; P154-L319 HydrophobicContact CG-CD2 4.03Å; P154-L319 HydrophobicContact CG-CG 3.7Å; I157-L319 HydrophobicContact CD1-CD1 3.77Å; L319-G321 VanDerWaalsContact C-N 3.27Å; L319-L336 HydrophobicContact CD1-CD2 3.94Å; L319-L336 HydrophobicContact CG-CD2 4.1Å; L319-L367 HydrophobicContact CD2-CD1 4.15Å; L319-L367 HydrophobicContact CD2-CD2 3.87Å; L319-L367 HydrophobicContact CD2-CG 4.01Å; L319-M371 HydrophobicContact CB-CG 4.49Å; L319-M371 HydrophobicContact CB-SD 4.46Å; L319-M371 HydrophobicContact CD2-CG 3.9Å; L319-M371 HydrophobicContact CD2-SD 3.49Å; L319-M371 WeakPolarHBondContact CD2-SD 3.49Å; L319-M371 HydrophobicContact CG-SD 4.02Å |
| 320 | S | 78.4 | Confident | 70.9 | Confident | 24 Ų | 24 | 60.4 Ų | 60.4 | 17% | 0.168 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | -3.4 | 171.8 | 82.4 | 0 | 0 | 0 | 0 | 112.5 | D318 L322 S374 Q378 | D318-S320 PolarHBondContact O-N 3.49Å; D318-S320 VanDerWaalsContact OD1-C 3.29Å; D318-S320 VanDerWaalsContact OD1-CA 3.32Å; D318-S320 WeakPolarHBondContact OD1-CA 3.25Å; D318-S320 WeakPolarHBondContact OD1-CB 3.39Å; D318-S320 PolarHBondContact OD1-N 2.85Å; D318-S320 PolarHBondContact OD1-OG 3.47Å; D318-S320 PolarHBondContact OD2-OG 3.25Å; S320-L322 WeakPolarHBondContact OG-CD1 3.32Å; S320-L322 WeakPolarHBondContact OG-CG 3.38Å; S320-S374 WeakPolarHBondContact O-CB 3.43Å; S320-Q378 WeakPolarHBondContact O-CG 3.31Å; S320-Q378 PolarHBondContact O-NE2 3.28Å; S320-Q378 VanDerWaalsContact O-NE2 3.11Å |
| 321 | G | 81.9 | Confident | 72.6 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | S | Bend | trans | 82.9 | 13.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | D318 L319 S375 H384 | D318-G321 PolarHBondContact O-N 2.97Å; D318-G321 VanDerWaalsContact O-N 3.13Å; D318-G321 PolarHBondContact OD1-N 2.72Å; L319-G321 VanDerWaalsContact C-N 3.27Å; G321-S375 VanDerWaalsContact CA-OG 3.22Å; G321-S375 WeakPolarHBondContact CA-OG 3.36Å; G321-S375 WeakPolarHBondContact O-CA 3.4Å; G321-H384 PolarHBondContact O-CE1 3.36Å; G321-H384 PolarHBondContact O-NE2 3.48Å |
| 322 | L | 81.7 | Confident | 74 | Confident | 30 Ų | 30 | 51.6 Ų | 51.6 | 16% | 0.157 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -87.3 | 147.5 | 175.7 | -67 | 172.4 | 0 | 0 | 0 | 111 | Y148 F317 D318 S320 Q378 R383 | Y148-L322 HydrophobicContact CE1-CD1 3.97Å; Y148-L322 WeakPolarHBondContact OH-CD1 3.25Å; F317-L322 CarbonylContact C-O 3.54Å; F317-L322 VanDerWaalsContact CA-O 3.23Å; F317-L322 WeakPolarHBondContact CA-O 3.33Å; D318-L322 PolarHBondContact N-O 3.16Å; D318-L322 PolarHBondContact OD1-N 3.03Å; S320-L322 WeakPolarHBondContact OG-CD1 3.32Å; S320-L322 WeakPolarHBondContact OG-CG 3.38Å; L322-Q378 HydrophobicContact CD2-CB 4.23Å; L322-Q378 HydrophobicContact CD2-CG 3.85Å; L322-Q378 HydrophobicContact CG-CG 4.24Å; L322-R383 HydrophobicContact CD2-CB 4.25Å |
| 323 | V | 79.9 | Confident | 75 | Confident | 17 Ų | 17 | 51.2 Ų | 51.2 | 10% | 0.103 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 128.8 | 176.9 | 179.7 | 0 | 0 | 0 | 0 | 110.3 | A315 R316 F317 Y387 | A315-V323 HydrophobicContact CB-CG1 4.42Å; R316-V323 CarbonylContact O-C 3.57Å; R316-V323 WeakPolarHBondContact O-CA 3.13Å; F317-V323 HydrophobicContact CD1-CG2 3.86Å; F317-V323 HydrophobicContact CE1-CG2 3.47Å; F317-V323 VanDerWaalsContact CE1-CG2 3.47Å; F317-V323 HydrophobicContact CZ-CG2 4.03Å; V323-Y387 HydrophobicContact CB-CD2 4.02Å; V323-Y387 HydrophobicContact CB-CG 3.95Å; V323-Y387 HydrophobicContact CG1-CD1 4.33Å; V323-Y387 HydrophobicContact CG1-CG 3.96Å |
| 324 | V | 79 | Confident | 75.2 | Confident | 12 Ų | 12 | 47.7 Ų | 47.7 | 7% | 0.073 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 122 | 174.8 | -175.5 | 0 | 0 | 0 | 0 | 109 | R316 D318 A328 A346 | R316-V324 PolarHBondContact O-N 2.6Å; D318-V324 HydrophobicContact CB-CG2 3.94Å; V324-A328 HydrophobicContact CG1-CB 3.99Å; V324-A346 HydrophobicContact CG1-CB 4.24Å |
| 325 | P | 71.6 | Confident | 75 | Confident | 52 Ų | 52 | 44.2 Ų | 44.2 | 34% | 0.338 | 26% | 0.255 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 144.7 | 175 | -23.8 | 33.8 | 0 | 0 | 0 | 111.8 | D327 A328 Y387 | P325-D327 PolarHBondContact O-N 3.41Å; P325-A328 HydrophobicContact CB-CB 4.35Å; P325-A328 WeakPolarHBondContact O-CB 3.09Å; P325-A328 PolarHBondContact O-N 3.24Å; P325-Y387 HydrophobicContact CG-CE1 4.42Å |
| 326 | P | 67.9 | Low | 74.9 | Confident | 59 Ų | 59 | 43.3 Ų | 43.3 | 38% | 0.383 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -31.7 | -177.1 | 23.7 | -32.9 | 0 | 0 | 0 | 113.8 | ||
| 327 | D | 67.2 | Low | 74.2 | Confident | 149 Ų | 149 | 45.3 Ų | 45.3 | 80% | 0.797 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | 9.6 | -176.9 | -50 | -37.7 | 0 | 0 | 0 | 113.1 | P325 D329 | P325-D327 PolarHBondContact O-N 3.41Å; D327-D329 PolarHBondContact O-N 3.13Å |
| 328 | A | 67.7 | Low | 73.3 | Confident | 38 Ų | 38 | 47 Ų | 47 | 31% | 0.314 | 26% | 0.264 | S | S | . | . | trans | -73.7 | 116.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111 | V324 P325 V330 | V324-A328 HydrophobicContact CG1-CB 3.99Å; P325-A328 HydrophobicContact CB-CB 4.35Å; P325-A328 WeakPolarHBondContact O-CB 3.09Å; P325-A328 PolarHBondContact O-N 3.24Å; A328-V330 HydrophobicContact CB-CG2 3.95Å; A328-V330 PolarHBondContact O-N 2.88Å | ||
| 329 | D | 69.9 | Low | 72.2 | Confident | 143 Ų | 143 | 56 Ų | 56 | 77% | 0.765 | 31% | 0.305 | S | S | * | . | trans | -79.6 | 103.9 | 170.7 | -167.7 | 15.2 | 0 | 0 | 0 | 109.1 | D327 | D327-D329 PolarHBondContact O-N 3.13Š| ||
| 330 | V | 73.2 | Confident | 71.3 | Confident | 9 Ų | 9 | 56.4 Ų | 56.4 | 6% | 0.055 | 31% | 0.314 | C | S | . | . | trans | -121.5 | 136.2 | -173.2 | 179.8 | 0 | 0 | 0 | 0 | 109.1 | L149 A328 L334 L336 H337 A346 | L149-V330 HydrophobicContact CD1-CG2 4.05Å; A328-V330 HydrophobicContact CB-CG2 3.95Å; A328-V330 PolarHBondContact O-N 2.88Å; V330-L334 HydrophobicContact CG1-CD1 3.7Å; V330-L336 HydrophobicContact CG1-CD1 3.85Å; V330-H337 PolarHBondContact O-NE2 3.26Å; V330-A346 HydrophobicContact CB-CB 3.62Å; V330-A346 HydrophobicContact CG1-CB 3.89Å; V330-A346 HydrophobicContact CG2-CB 3.89Å | ||
| 331 | D | 70.4 | Confident | 70.6 | Confident | 67 Ų | 67 | 63.8 Ų | 63.8 | 36% | 0.358 | 35% | 0.346 | S | S | . | . | trans | -69.4 | 138.9 | -177.7 | -66.4 | -40 | 0 | 0 | 0 | 112.8 | Y333 L334 | D331-Y333 VanDerWaalsContact C-N 3.32Å; D331-Y333 HydrophobicContact CB-CD1 3.58Å; D331-Y333 HydrophobicContact CB-CE1 3.12Å; D331-Y333 HydrophobicContact CB-CG 4.45Å; D331-Y333 PolarHBondContact O-N 2.86Å; D331-Y333 WeakPolarHBondContact OD2-CE1 3.46Å; D331-Y333 VanDerWaalsContact OD2-CZ 3.3Å; D331-Y333 PolarHBondContact OD2-OH 3.49Å; D331-L334 HydrophobicContact CB-CD1 4.48Å; D331-L334 PolarHBondContact O-N 3.25Å | ||
| 332 | T | 66.5 | Low | 70 | Confident | 104 Ų | 104 | 66 Ų | 66 | 64% | 0.638 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -64.2 | -27.5 | -178.5 | 50.1 | 0 | 0 | 0 | 0 | 114.8 | L334 G335 H337 | T332-L334 PolarHBondContact O-N 3.45Å; T332-G335 PolarHBondContact O-N 3.46Å; T332-H337 HydrophobicContact CG2-CB 4.24Å |
| 333 | Y | 70.2 | Confident | 69.4 | Low | 123 Ų | 123 | 67.3 Ų | 67.3 | 48% | 0.482 | 37% | 0.366 | S | S | . | . | G | 310 helix | trans | -69.2 | -13.6 | -179.5 | 67.1 | -98.6 | 0 | 0 | 0 | 113.8 | K150 D331 G335 | K150-Y333 WeakPolarHBondContact CE-OH 3.28Å; D331-Y333 VanDerWaalsContact C-N 3.32Å; D331-Y333 HydrophobicContact CB-CD1 3.58Å; D331-Y333 HydrophobicContact CB-CE1 3.12Å; D331-Y333 HydrophobicContact CB-CG 4.45Å; D331-Y333 PolarHBondContact O-N 2.86Å; D331-Y333 WeakPolarHBondContact OD2-CE1 3.46Å; D331-Y333 VanDerWaalsContact OD2-CZ 3.3Å; D331-Y333 PolarHBondContact OD2-OH 3.49Å; Y333-G335 PolarHBondContact O-N 2.97Å |
| 334 | L | 66.3 | Low | 69 | Low | 20 Ų | 20 | 73 Ų | 73 | 11% | 0.105 | 39% | 0.392 | C | S | . | . | G | 310 helix | trans | -70.8 | -6.9 | 177.1 | -67.3 | 170.7 | 0 | 0 | 0 | 112.6 | V330 D331 T332 L336 | V330-L334 HydrophobicContact CG1-CD1 3.7Å; D331-L334 HydrophobicContact CB-CD1 4.48Å; D331-L334 PolarHBondContact O-N 3.25Å; T332-L334 PolarHBondContact O-N 3.45Å; L334-L336 HydrophobicContact CB-CD1 4.12Å; L334-L336 HydrophobicContact CB-CG 4.27Å; L334-L336 HydrophobicContact CD1-CD1 4.49Å; L334-L336 PolarHBondContact O-N 2.98Å |
| 335 | G | 67.8 | Low | 68.9 | Low | 23 Ų | 23 | 73.9 Ų | 73.9 | 24% | 0.237 | 39% | 0.394 | C | S | . | . | S | Bend | trans | 71.3 | 18.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | T332 Y333 Y348 | T332-G335 PolarHBondContact O-N 3.46Å; Y333-G335 PolarHBondContact O-N 2.97Å; G335-Y348 PolarHBondContact O-OH 3.01Å |
| 336 | L | 75.3 | Confident | 69.3 | Low | 8 Ų | 8 | 71.7 Ų | 71.7 | 4% | 0.042 | 38% | 0.38 | C | S | . | . | trans | -89.8 | -11 | 176.6 | -70.2 | 170.6 | 0 | 0 | 0 | 112.6 | D318 L319 V330 L334 A346 G347 | D318-L336 HydrophobicContact CB-CD2 4.17Å; L319-L336 HydrophobicContact CD1-CD2 3.94Å; L319-L336 HydrophobicContact CG-CD2 4.1Å; V330-L336 HydrophobicContact CG1-CD1 3.85Å; L334-L336 HydrophobicContact CB-CD1 4.12Å; L334-L336 HydrophobicContact CB-CG 4.27Å; L334-L336 HydrophobicContact CD1-CD1 4.49Å; L334-L336 PolarHBondContact O-N 2.98Å; L336-A346 HydrophobicContact CB-CB 4Å; L336-G347 PolarHBondContact O-N 2.88Å | ||
| 337 | H | 72 | Confident | 70.1 | Confident | 44 Ų | 44 | 68.9 Ų | 68.9 | 20% | 0.204 | 36% | 0.361 | C | S | . | . | trans | -102.3 | 128.8 | 175.6 | -65.5 | -97.6 | 0 | 0 | 0 | 109.3 | V330 T332 P343 E344 | V330-H337 PolarHBondContact O-NE2 3.26Å; T332-H337 HydrophobicContact CG2-CB 4.24Å; H337-P343 PolarHBondContact ND1-O 3.43Å; H337-P343 VanDerWaalsContact ND1-O 3.16Å; H337-E344 PolarHBondContact CE1-O 3Å | ||
| 338 | H | 67.6 | Low | 71 | Confident | 37 Ų | 37 | 63 Ų | 63 | 17% | 0.171 | 33% | 0.328 | C | S | . | . | trans | -144 | 166.1 | -178.7 | 70.2 | 80 | 0 | 0 | 0 | 110.5 | G340 P343 Y348 E352 | H338-G340 PolarHBondContact ND1-N 3.43Å; H338-G340 PolarHBondContact O-N 2.96Å; H338-P343 WeakPolarHBondContact O-CA 3.37Å; H338-P343 WeakPolarHBondContact O-CB 3.25Å; H338-Y348 HydrophobicContact CB-CE1 4.13Å; H338-Y348 AromaticContact CD2-CD1 3.32Å; H338-Y348 WeakPolarHBondContact CD2-CD1 3.44Å; H338-Y348 AromaticContact CD2-CE1 3.17Å; H338-Y348 WeakPolarHBondContact CD2-CE1 3.24Å; H338-Y348 AromaticContact CD2-CZ 3.75Å; H338-Y348 AromaticContact CG-CE1 3.6Å; H338-Y348 AromaticContact NE2-CD1 3.36Å; H338-Y348 WeakPolarHBondContact NE2-CD1 3.32Å; H338-Y348 AromaticContact NE2-CE1 3.71Å; H338-E352 IonicContact CE1-OE1 2.75Å; H338-E352 PolarHBondContact CE1-OE1 2.73Å; H338-E352 IonicContact CE1-OE2 3.02Å; H338-E352 PolarHBondContact CE1-OE2 3.4Å; H338-E352 VanDerWaalsContact NE2-CD 3.3Å; H338-E352 IonicContact NE2-OE1 3.25Å; H338-E352 IonicContact NE2-OE2 3.35Å; H338-E352 PolarHBondContact NE2-OE2 3.15Å; H338-E352 VanDerWaalsContact NE2-OE2 3.12Å | ||
| 339 | H | 59.6 | Low | 71.9 | Confident | 198 Ų | 198 | 61.4 Ų | 61.4 | 92% | 0.917 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -76.7 | 55.2 | -177.4 | -58.9 | -64.3 | 0 | 0 | 0 | 112.8 | ||
| 340 | G | 63.1 | Low | 72.7 | Confident | 27 Ų | 27 | 56.6 Ų | 56.6 | 28% | 0.278 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -87.9 | -161.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | H338 | H338-G340 PolarHBondContact ND1-N 3.43Å; H338-G340 PolarHBondContact O-N 2.96Å |
| 341 | E | 63.3 | Low | 73.2 | Confident | 180 Ų | 180 | 58.1 Ų | 58.1 | 84% | 0.841 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -72.5 | -26.7 | 178.3 | -68.2 | -178.1 | 172.5 | 0 | 0 | 113.1 | ||
| 342 | E | 70.2 | Confident | 74 | Confident | 45 Ų | 45 | 56.2 Ų | 56.2 | 21% | 0.21 | 30% | 0.295 | C | S | . | . | trans | -127.6 | 70.3 | 176.9 | -48.3 | 172.2 | 143.9 | 0 | 0 | 110.5 | R316 E344 R345 | R316-E342 IonicContact CZ-OE2 3.81Å; R316-E342 IonicContact NE-OE2 2.72Å; R316-E342 PolarHBondContact NE-OE2 3.47Å; R316-E342 IonicContact NH2-OE2 2.75Å; R316-E342 PolarHBondContact NH2-OE2 3.36Å; E342-E344 PolarHBondContact O-N 3.33Å; E342-R345 HydrophobicContact CB-CB 4.41Å; E342-R345 HydrophobicContact CB-CG 4.46Å; E342-R345 PolarHBondContact O-N 3.22Å; E342-R345 VanDerWaalsContact O-N 3.08Å; E342-R345 IonicContact OE1-NH1 3.73Å; E342-R345 WeakPolarHBondContact OE2-CD 3.43Å; E342-R345 IonicContact OE2-CZ 3.41Å; E342-R345 IonicContact OE2-NE 3.46Å; E342-R345 IonicContact OE2-NH1 3.92Å; E342-R345 PolarHBondContact OE2-NH1 3.48Å | ||
| 343 | P | 68.2 | Low | 75.1 | Confident | 58 Ų | 58 | 51.3 Ų | 51.3 | 38% | 0.377 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -23.5 | -174.2 | 27.1 | -35.8 | 0 | 0 | 0 | 114.1 | H337 H338 R345 | H337-P343 PolarHBondContact ND1-O 3.43Å; H337-P343 VanDerWaalsContact ND1-O 3.16Å; H338-P343 WeakPolarHBondContact O-CA 3.37Å; H338-P343 WeakPolarHBondContact O-CB 3.25Å; P343-R345 PolarHBondContact O-N 2.99Å |
| 344 | E | 71.2 | Confident | 76 | Confident | 137 Ų | 137 | 48.3 Ų | 48.3 | 64% | 0.64 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -19.7 | 174.9 | 64.1 | -73.9 | 167.6 | 0 | 0 | 113.4 | H337 E342 | H337-E344 PolarHBondContact CE1-O 3Å; E342-E344 PolarHBondContact O-N 3.33Å |
| 345 | R | 78.4 | Confident | 77 | Confident | 31 Ų | 31 | 53.2 Ų | 53.2 | 12% | 0.117 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -99.4 | 133.7 | -179.1 | -67.2 | -175.5 | 65.2 | -144 | -1.4 | 111.8 | Q314 E342 P343 | Q314-R345 PolarHBondContact O-NH1 3.49Å; E342-R345 HydrophobicContact CB-CB 4.41Å; E342-R345 HydrophobicContact CB-CG 4.46Å; E342-R345 PolarHBondContact O-N 3.22Å; E342-R345 VanDerWaalsContact O-N 3.08Å; E342-R345 IonicContact OE1-NH1 3.73Å; E342-R345 WeakPolarHBondContact OE2-CD 3.43Å; E342-R345 IonicContact OE2-CZ 3.41Å; E342-R345 IonicContact OE2-NE 3.46Å; E342-R345 IonicContact OE2-NH1 3.92Å; E342-R345 PolarHBondContact OE2-NH1 3.48Å; P343-R345 PolarHBondContact O-N 2.99Å |
| 346 | A | 79.7 | Confident | 77.9 | Confident | 5 Ų | 5 | 53.8 Ų | 53.8 | 4% | 0.041 | 27% | 0.274 | C | S | . | . | trans | -73.7 | 147.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | R316 V324 V330 L336 | R316-A346 WeakPolarHBondContact CB-O 3.2Å; V324-A346 HydrophobicContact CG1-CB 4.24Å; V330-A346 HydrophobicContact CB-CB 3.62Å; V330-A346 HydrophobicContact CG1-CB 3.89Å; V330-A346 HydrophobicContact CG2-CB 3.89Å; L336-A346 HydrophobicContact CB-CB 4Å | ||
| 347 | G | 83.7 | Confident | 78.6 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | S | Bend | trans | 93.1 | 168 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | R316 F317 L336 | R316-G347 PolarHBondContact NH1-O 3.38Å; F317-G347 CarbonylContact O-C 3.5Å; F317-G347 WeakPolarHBondContact O-CA 3.33Å; L336-G347 PolarHBondContact O-N 2.88Å |
| 348 | Y | 86.3 | Confident | 79.4 | Confident | 27 Ų | 27 | 58.7 Ų | 58.7 | 11% | 0.106 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 135 | -178 | -66.5 | -93.2 | 0 | 0 | 0 | 110.4 | F317 G335 H338 E352 L356 M371 | F317-Y348 PolarHBondContact N-O 2.92Å; F317-Y348 PolarHBondContact O-N 3.46Å; G335-Y348 PolarHBondContact O-OH 3.01Å; H338-Y348 HydrophobicContact CB-CE1 4.13Å; H338-Y348 AromaticContact CD2-CD1 3.32Å; H338-Y348 WeakPolarHBondContact CD2-CD1 3.44Å; H338-Y348 AromaticContact CD2-CE1 3.17Å; H338-Y348 WeakPolarHBondContact CD2-CE1 3.24Å; H338-Y348 AromaticContact CD2-CZ 3.75Å; H338-Y348 AromaticContact CG-CE1 3.6Å; H338-Y348 AromaticContact NE2-CD1 3.36Å; H338-Y348 WeakPolarHBondContact NE2-CD1 3.32Å; H338-Y348 AromaticContact NE2-CE1 3.71Å; Y348-E352 HydrophobicContact CD1-CB 4.38Å; Y348-L356 HydrophobicContact CD1-CD1 4.1Å; Y348-L356 HydrophobicContact CE1-CD1 3.89Å; Y348-M371 HydrophobicContact CD1-CE 4.15Å; Y348-M371 HydrophobicContact CD2-CE 3.55Å; Y348-M371 HydrophobicContact CD2-SD 3.58Å; Y348-M371 VanDerWaalsContact CD2-SD 3.58Å; Y348-M371 HydrophobicContact CE2-CE 4.02Å; Y348-M371 HydrophobicContact CE2-SD 4.09Å; Y348-M371 HydrophobicContact CG-CE 3.63Å; Y348-M371 HydrophobicContact CG-SD 4.18Å |
| 349 | T | 87.1 | Confident | 80.4 | Confident | 4 Ų | 4 | 58 Ų | 58 | 3% | 0.025 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 161.2 | 167.2 | 66.9 | 0 | 0 | 0 | 0 | 110.6 | Q314 R316 G351 E352 M353 | Q314-T349 HydrophobicContact CB-CG2 4.36Å; Q314-T349 HydrophobicContact CG-CG2 3.98Å; R316-T349 HydrophobicContact CG-CG2 3.74Å; T349-G351 PolarHBondContact O-N 3.25Å; T349-E352 WeakPolarHBondContact CB-OE2 3.42Å; T349-E352 WeakPolarHBondContact CG2-OE2 3.49Å; T349-E352 PolarHBondContact N-OE2 3.35Å; T349-E352 PolarHBondContact O-N 3.36Å; T349-E352 WeakPolarHBondContact OG1-CB 3.38Å; T349-E352 WeakPolarHBondContact OG1-CG 3.09Å; T349-E352 PolarHBondContact OG1-N 3.28Å; T349-E352 PolarHBondContact OG1-OE2 3.14Å; T349-M353 WeakPolarHBondContact O-CG 3.48Å; T349-M353 PolarHBondContact O-N 2.81Å |
| 350 | I | 85.9 | Confident | 81.5 | Confident | 41 Ų | 41 | 54.1 Ų | 54.1 | 21% | 0.21 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.4 | -38.1 | 175.1 | -61.2 | 162.7 | 0 | 0 | 0 | 111 | F317 M353 F354 L396 L400 | F317-I350 HydrophobicContact CD2-CG1 4.42Å; F317-I350 HydrophobicContact CE2-CD1 4.14Å; F317-I350 HydrophobicContact CE2-CG1 3.76Å; I350-M353 PolarHBondContact O-N 3.14Å; I350-F354 HydrophobicContact CG2-CD1 4.18Å; I350-F354 HydrophobicContact CG2-CD2 4.34Å; I350-F354 HydrophobicContact CG2-CE1 3.77Å; I350-F354 HydrophobicContact CG2-CE2 3.94Å; I350-F354 HydrophobicContact CG2-CG 4.46Å; I350-F354 HydrophobicContact CG2-CZ 3.64Å; I350-F354 WeakPolarHBondContact O-CD1 3.26Å; I350-F354 WeakPolarHBondContact O-CG 3.35Å; I350-F354 PolarHBondContact O-N 3.49Å; I350-L396 HydrophobicContact CD1-CD1 3.37Å; I350-L396 HydrophobicContact CG1-CD1 4.26Å; I350-L400 HydrophobicContact CG2-CD2 4.19Å |
| 351 | G | 83.5 | Confident | 82.6 | Confident | 42 Ų | 42 | 55.7 Ų | 55.7 | 43% | 0.433 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.1 | -43.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | T349 F354 H355 | T349-G351 PolarHBondContact O-N 3.25Å; G351-F354 PolarHBondContact O-N 3.04Å; G351-H355 PolarHBondContact O-N 3.04Å |
| 352 | E | 87.5 | Confident | 83.5 | Confident | 27 Ų | 27 | 50.1 Ų | 50.1 | 13% | 0.126 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.5 | -39.9 | 175.9 | -68.9 | 153.4 | 164 | 0 | 0 | 111.2 | R316 H338 Y348 T349 H355 L356 | R316-E352 IonicContact CZ-OE1 3.17Å; R316-E352 IonicContact CZ-OE2 3.2Å; R316-E352 IonicContact NH1-OE1 2.67Å; R316-E352 IonicContact NH1-OE2 3.3Å; R316-E352 PolarHBondContact NH1-OE2 3.42Å; R316-E352 IonicContact NH2-OE1 3.23Å; R316-E352 PolarHBondContact NH2-OE1 3.26Å; R316-E352 IonicContact NH2-OE2 3.78Å; H338-E352 IonicContact CE1-OE1 2.75Å; H338-E352 PolarHBondContact CE1-OE1 2.73Å; H338-E352 IonicContact CE1-OE2 3.02Å; H338-E352 PolarHBondContact CE1-OE2 3.4Å; H338-E352 VanDerWaalsContact NE2-CD 3.3Å; H338-E352 IonicContact NE2-OE1 3.25Å; H338-E352 IonicContact NE2-OE2 3.35Å; H338-E352 PolarHBondContact NE2-OE2 3.15Å; H338-E352 VanDerWaalsContact NE2-OE2 3.12Å; Y348-E352 HydrophobicContact CD1-CB 4.38Å; T349-E352 WeakPolarHBondContact CB-OE2 3.42Å; T349-E352 WeakPolarHBondContact CG2-OE2 3.49Å; T349-E352 PolarHBondContact N-OE2 3.35Å; T349-E352 PolarHBondContact O-N 3.36Å; T349-E352 WeakPolarHBondContact OG1-CB 3.38Å; T349-E352 WeakPolarHBondContact OG1-CG 3.09Å; T349-E352 PolarHBondContact OG1-N 3.28Å; T349-E352 PolarHBondContact OG1-OE2 3.14Å; E352-H355 WeakPolarHBondContact O-CB 3.27Å; E352-H355 PolarHBondContact O-N 2.92Å; E352-L356 WeakPolarHBondContact O-CG 3.3Å; E352-L356 PolarHBondContact O-N 2.67Å |
| 353 | M | 89.4 | Confident | 84.2 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.1 | -45.3 | 173 | -67.4 | -179.2 | -175.6 | 0 | 0 | 112.2 | F317 T349 I350 H355 L356 C357 M371 L372 | F317-M353 HydrophobicContact CB-CE 3.63Å; F317-M353 HydrophobicContact CD2-CE 4.34Å; F317-M353 HydrophobicContact CG-CE 4.28Å; T349-M353 WeakPolarHBondContact O-CG 3.48Å; T349-M353 PolarHBondContact O-N 2.81Å; I350-M353 PolarHBondContact O-N 3.14Å; M353-H355 VanDerWaalsContact C-N 3.28Å; M353-H355 PolarHBondContact O-N 2.97Å; M353-L356 PolarHBondContact O-N 3.1Å; M353-C357 PolarHBondContact O-N 3.46Å; M353-C357 PolarHBondContact O-SG 3.29Å; M353-M371 HydrophobicContact CE-CB 3.76Å; M353-M371 HydrophobicContact CE-CE 4.08Å; M353-M371 HydrophobicContact CE-SD 4.03Å; M353-M371 HydrophobicContact CG-CE 3.99Å; M353-M371 HydrophobicContact SD-CB 4.08Å; M353-L372 HydrophobicContact CB-CD1 4.41Å; M353-L372 HydrophobicContact CB-CD2 4.03Å; M353-L372 HydrophobicContact CB-CG 4.08Å; M353-L372 HydrophobicContact CG-CD2 4.49Å; M353-L372 HydrophobicContact SD-CD2 3.6Å; M353-L372 HydrophobicContact SD-CG 3.91Å |
| 354 | F | 89.7 | Confident | 85.1 | Confident | 59 Ų | 59 | 52.9 Ų | 52.9 | 26% | 0.259 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.1 | -37.3 | 177.5 | -74.7 | 2.7 | 0 | 0 | 0 | 111.9 | I350 G351 L372 L400 I422 L425 | I350-F354 HydrophobicContact CG2-CD1 4.18Å; I350-F354 HydrophobicContact CG2-CD2 4.34Å; I350-F354 HydrophobicContact CG2-CE1 3.77Å; I350-F354 HydrophobicContact CG2-CE2 3.94Å; I350-F354 HydrophobicContact CG2-CG 4.46Å; I350-F354 HydrophobicContact CG2-CZ 3.64Å; I350-F354 WeakPolarHBondContact O-CD1 3.26Å; I350-F354 WeakPolarHBondContact O-CG 3.35Å; I350-F354 PolarHBondContact O-N 3.49Å; G351-F354 PolarHBondContact O-N 3.04Å; F354-L372 HydrophobicContact CD1-CD1 4.1Å; F354-L372 HydrophobicContact CD1-CD2 4.39Å; F354-L372 HydrophobicContact CE1-CD1 4.1Å; F354-L372 HydrophobicContact CE1-CD2 4.01Å; F354-L400 HydrophobicContact CZ-CD2 3.82Å; F354-I422 HydrophobicContact CE1-CD1 4.29Å; F354-I422 HydrophobicContact CE1-CG1 4.38Å; F354-I422 HydrophobicContact CZ-CB 4.24Å; F354-I422 HydrophobicContact CZ-CD1 4.39Å; F354-I422 HydrophobicContact CZ-CG1 4.36Å; F354-L425 HydrophobicContact CB-CD2 4.19Å; F354-L425 HydrophobicContact CD1-CD2 3.59Å; F354-L425 HydrophobicContact CE1-CD2 4.05Å; F354-L425 HydrophobicContact CG-CD2 3.87Å |
| 355 | H | 86.5 | Confident | 86.1 | Confident | 123 Ų | 123 | 46.8 Ų | 46.8 | 57% | 0.569 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -61.5 | -50.5 | 173.1 | -172.2 | 90.2 | 0 | 0 | 0 | 111.2 | G351 E352 M353 C357 R358 | G351-H355 PolarHBondContact O-N 3.04Å; E352-H355 WeakPolarHBondContact O-CB 3.27Å; E352-H355 PolarHBondContact O-N 2.92Å; M353-H355 VanDerWaalsContact C-N 3.28Å; M353-H355 PolarHBondContact O-N 2.97Å; H355-C357 VanDerWaalsContact C-N 3.32Å; H355-C357 PolarHBondContact O-N 3.4Å; H355-R358 PolarHBondContact O-N 3.2Å; H355-R358 VanDerWaalsContact O-N 3.08Å |
| 356 | L | 88.4 | Confident | 86.5 | Confident | 35 Ų | 35 | 48.6 Ų | 48.6 | 18% | 0.183 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.6 | -30.6 | -179.7 | -69.9 | 174.3 | 0 | 0 | 0 | 113.6 | Y348 E352 M353 R358 S359 Q364 R365 A368 | Y348-L356 HydrophobicContact CD1-CD1 4.1Å; Y348-L356 HydrophobicContact CE1-CD1 3.89Å; E352-L356 WeakPolarHBondContact O-CG 3.3Å; E352-L356 PolarHBondContact O-N 2.67Å; M353-L356 PolarHBondContact O-N 3.1Å; L356-R358 PolarHBondContact O-N 3.21Å; L356-S359 VanDerWaalsContact O-CB 3.28Å; L356-S359 WeakPolarHBondContact O-CB 3.36Å; L356-S359 PolarHBondContact O-N 3.28Å; L356-S359 VanDerWaalsContact O-N 3.08Å; L356-Q364 HydrophobicContact CD2-CB 4.46Å; L356-R365 WeakPolarHBondContact O-CA 3.48Å; L356-A368 HydrophobicContact CB-CB 3.49Å; L356-A368 VanDerWaalsContact CB-CB 3.49Å |
| 357 | C | 89.9 | Confident | 86.9 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.9 | -26.6 | 173.7 | -71.1 | 0 | 0 | 0 | 0 | 113 | M353 H355 R365 I369 L425 | M353-C357 PolarHBondContact O-N 3.46Å; M353-C357 PolarHBondContact O-SG 3.29Å; H355-C357 VanDerWaalsContact C-N 3.32Å; H355-C357 PolarHBondContact O-N 3.4Å; C357-R365 PolarHBondContact O-NE 3.09Å; C357-I369 HydrophobicContact CB-CG1 4.48Å; C357-L425 HydrophobicContact CB-CD1 4.2Å; C357-L425 HydrophobicContact CB-CD2 4.07Å; C357-L425 HydrophobicContact CB-CG 4.35Å |
| 358 | R | 87.8 | Confident | 87.2 | Confident | 156 Ų | 156 | 50.2 Ų | 50.2 | 59% | 0.589 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | 2.6 | 179.1 | -55.3 | -175.3 | -54.1 | 160.1 | 7.5 | 113.8 | H355 L356 L425 W428 | H355-R358 PolarHBondContact O-N 3.2Å; H355-R358 VanDerWaalsContact O-N 3.08Å; L356-R358 PolarHBondContact O-N 3.21Å; R358-L425 HydrophobicContact CG-CD1 3.87Å; R358-W428 HydrophobicContact CB-CZ3 4.44Å; R358-W428 HydrophobicContact CG-CZ3 4.23Å |
| 359 | S | 89.1 | Confident | 87.5 | Confident | 22 Ų | 22 | 48.9 Ų | 48.9 | 15% | 0.154 | 27% | 0.269 | C | S | . | . | trans | -58.6 | 149.3 | 177.2 | 175.7 | 0 | 0 | 0 | 0 | 111.1 | L356 V361 Q364 R365 | L356-S359 VanDerWaalsContact O-CB 3.28Å; L356-S359 WeakPolarHBondContact O-CB 3.36Å; L356-S359 PolarHBondContact O-N 3.28Å; L356-S359 VanDerWaalsContact O-N 3.08Å; S359-V361 PolarHBondContact O-N 3.45Å; S359-V361 PolarHBondContact OG-N 2.88Å; S359-V361 VanDerWaalsContact OG-N 3.11Å; S359-Q364 PolarHBondContact OG-OE1 3.01Å; S359-R365 WeakPolarHBondContact O-CD 3.37Å; S359-R365 WeakPolarHBondContact O-CG 3.43Å | ||
| 360 | S | 83.4 | Confident | 87.7 | Confident | 116 Ų | 116 | 50.2 Ų | 50.2 | 81% | 0.811 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -71.6 | -15.8 | 171.2 | 56.8 | 0 | 0 | 0 | 0 | 112.8 | P362 | S360-P362 WeakPolarHBondContact O-CD 3.33Š|
| 361 | V | 85.9 | Confident | 87.9 | Confident | 61 Ų | 61 | 48.4 Ų | 48.4 | 37% | 0.37 | 27% | 0.269 | S | S | . | . | trans | -89.7 | 113.7 | -177 | -178.1 | 0 | 0 | 0 | 0 | 110.7 | S359 A363 Q364 R365 | S359-V361 PolarHBondContact O-N 3.45Å; S359-V361 PolarHBondContact OG-N 2.88Å; S359-V361 VanDerWaalsContact OG-N 3.11Å; V361-A363 VanDerWaalsContact C-N 3.28Å; V361-A363 HydrophobicContact CG1-CB 4.39Å; V361-A363 PolarHBondContact O-N 3.05Å; V361-A363 VanDerWaalsContact O-N 3.16Å; V361-Q364 HydrophobicContact CB-CB 4.28Å; V361-Q364 HydrophobicContact CB-CG 4.07Å; V361-Q364 HydrophobicContact CG1-CG 4.05Å; V361-Q364 PolarHBondContact O-N 3.36Å; V361-Q364 VanDerWaalsContact O-N 3.14Å; V361-R365 WeakPolarHBondContact O-CG 3.34Å; V361-R365 PolarHBondContact O-N 3.34Å | ||
| 362 | P | 81.9 | Confident | 88.3 | Confident | 63 Ų | 63 | 46.7 Ų | 46.7 | 41% | 0.409 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -58.2 | -34.6 | -174.8 | -27.3 | 36 | 0 | 0 | 0 | 114.9 | S360 R366 L456 | S360-P362 WeakPolarHBondContact O-CD 3.33Å; P362-R366 PolarHBondContact O-N 2.76Å; P362-L456 HydrophobicContact CB-CD1 4.29Å |
| 363 | A | 84 | Confident | 88.4 | Confident | 73 Ų | 73 | 45.4 Ų | 45.4 | 60% | 0.603 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -65.8 | -42.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | V361 R366 L367 | V361-A363 VanDerWaalsContact C-N 3.28Å; V361-A363 HydrophobicContact CG1-CB 4.39Å; V361-A363 PolarHBondContact O-N 3.05Å; V361-A363 VanDerWaalsContact O-N 3.16Å; A363-R366 PolarHBondContact O-N 3.15Å; A363-L367 PolarHBondContact O-N 2.93Å; A363-L367 VanDerWaalsContact O-N 3.08Å |
| 364 | Q | 88.7 | Confident | 88.3 | Confident | 88 Ų | 88 | 46.5 Ų | 46.5 | 41% | 0.411 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65.3 | -43.2 | 178 | -69 | 177.9 | -6.7 | 0 | 0 | 111.3 | L356 S359 V361 R366 L367 A368 | L356-Q364 HydrophobicContact CD2-CB 4.46Å; S359-Q364 PolarHBondContact OG-OE1 3.01Å; V361-Q364 HydrophobicContact CB-CB 4.28Å; V361-Q364 HydrophobicContact CB-CG 4.07Å; V361-Q364 HydrophobicContact CG1-CG 4.05Å; V361-Q364 PolarHBondContact O-N 3.36Å; V361-Q364 VanDerWaalsContact O-N 3.14Å; Q364-R366 VanDerWaalsContact C-N 3.34Å; Q364-R366 PolarHBondContact O-N 3.3Å; Q364-L367 PolarHBondContact O-N 3.37Å; Q364-A368 PolarHBondContact O-N 3.42Å |
| 365 | R | 90.5 | Very high | 88.3 | Confident | 8 Ų | 8 | 43.8 Ų | 43.8 | 3% | 0.03 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.2 | -46.3 | 176.2 | -60.9 | 171.1 | 69.6 | 168.5 | 2.7 | 111.8 | L356 C357 S359 V361 L367 A368 I369 E432 L456 | L356-R365 WeakPolarHBondContact O-CA 3.48Å; C357-R365 PolarHBondContact O-NE 3.09Å; S359-R365 WeakPolarHBondContact O-CD 3.37Å; S359-R365 WeakPolarHBondContact O-CG 3.43Å; V361-R365 WeakPolarHBondContact O-CG 3.34Å; V361-R365 PolarHBondContact O-N 3.34Å; R365-L367 VanDerWaalsContact C-N 3.34Å; R365-L367 PolarHBondContact O-N 3.01Å; R365-A368 PolarHBondContact O-N 3.26Å; R365-I369 VanDerWaalsContact O-CG1 3.29Å; R365-I369 WeakPolarHBondContact O-CG1 3.32Å; R365-I369 PolarHBondContact O-N 3.43Å; R365-E432 IonicContact CZ-OE1 2.87Å; R365-E432 IonicContact CZ-OE2 3.13Å; R365-E432 IonicContact NH1-OE1 3.43Å; R365-E432 PolarHBondContact NH1-OE1 2.84Å; R365-E432 IonicContact NH1-OE2 3.4Å; R365-E432 PolarHBondContact NH1-OE2 2.86Å; R365-E432 VanDerWaalsContact NH1-OE2 3.12Å; R365-E432 IonicContact NH2-OE1 2.72Å; R365-E432 IonicContact NH2-OE2 3.21Å; R365-E432 PolarHBondContact NH2-OE2 3.43Å; R365-L456 HydrophobicContact CB-CD2 3.92Å |
| 366 | R | 88 | Confident | 88.4 | Confident | 69 Ų | 69 | 38 Ų | 38 | 26% | 0.26 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60.8 | -47.3 | 179.7 | -179.5 | -175.1 | -69.3 | -143.6 | 2.6 | 110.7 | P362 A363 Q364 A368 I369 S370 G451 A452 L456 E459 | P362-R366 PolarHBondContact O-N 2.76Å; A363-R366 PolarHBondContact O-N 3.15Å; Q364-R366 VanDerWaalsContact C-N 3.34Å; Q364-R366 PolarHBondContact O-N 3.3Å; R366-A368 VanDerWaalsContact C-N 3.29Å; R366-A368 PolarHBondContact O-N 3.34Å; R366-I369 PolarHBondContact O-N 3.42Å; R366-S370 WeakPolarHBondContact O-CB 3.46Å; R366-S370 PolarHBondContact O-N 2.91Å; R366-G451 PolarHBondContact NH2-O 2.85Å; R366-G451 VanDerWaalsContact NH2-O 3.14Å; R366-A452 PolarHBondContact NH2-O 2.85Å; R366-L456 HydrophobicContact CB-CD2 3.75Å; R366-E459 HydrophobicContact CG-CG 4.24Å |
| 367 | L | 87.3 | Confident | 88.2 | Confident | 39 Ų | 39 | 37.8 Ų | 37.8 | 20% | 0.204 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -56.4 | -47.5 | 177.9 | -175.5 | 156.4 | 0 | 0 | 0 | 110.1 | L319 A363 Q364 R365 S370 M371 | L319-L367 HydrophobicContact CD2-CD1 4.15Å; L319-L367 HydrophobicContact CD2-CD2 3.87Å; L319-L367 HydrophobicContact CD2-CG 4.01Å; A363-L367 PolarHBondContact O-N 2.93Å; A363-L367 VanDerWaalsContact O-N 3.08Å; Q364-L367 PolarHBondContact O-N 3.37Å; R365-L367 VanDerWaalsContact C-N 3.34Å; R365-L367 PolarHBondContact O-N 3.01Å; L367-S370 PolarHBondContact O-N 3.31Å; L367-M371 HydrophobicContact CD2-CE 3.29Å; L367-M371 HydrophobicContact CD2-CG 4.19Å; L367-M371 HydrophobicContact CD2-SD 3.86Å; L367-M371 WeakPolarHBondContact O-CG 3.32Å; L367-M371 PolarHBondContact O-N 3.2Å |
| 368 | A | 90.6 | Very high | 87.7 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62 | -48 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | L356 Q364 R365 R366 S370 M371 L372 | L356-A368 HydrophobicContact CB-CB 3.49Å; L356-A368 VanDerWaalsContact CB-CB 3.49Å; Q364-A368 PolarHBondContact O-N 3.42Å; R365-A368 PolarHBondContact O-N 3.26Å; R366-A368 VanDerWaalsContact C-N 3.29Å; R366-A368 PolarHBondContact O-N 3.34Å; A368-S370 VanDerWaalsContact C-N 3.29Å; A368-S370 PolarHBondContact O-N 2.98Å; A368-M371 PolarHBondContact O-N 3.19Å; A368-L372 WeakPolarHBondContact O-CG 3.47Å; A368-L372 PolarHBondContact O-N 3.49Å |
| 369 | I | 92.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.2 | -38.4 | 177.6 | -60.7 | 166.8 | 0 | 0 | 0 | 109.8 | C357 R365 R366 L372 G373 L426 C429 L456 E459 C463 | C357-I369 HydrophobicContact CB-CG1 4.48Å; R365-I369 VanDerWaalsContact O-CG1 3.29Å; R365-I369 WeakPolarHBondContact O-CG1 3.32Å; R365-I369 PolarHBondContact O-N 3.43Å; R366-I369 PolarHBondContact O-N 3.42Å; I369-L372 PolarHBondContact O-N 2.94Å; I369-G373 PolarHBondContact O-N 3.07Å; I369-L426 HydrophobicContact CG2-CD2 4.32Å; I369-C429 HydrophobicContact CD1-CB 4.07Å; I369-L456 HydrophobicContact CD1-CD2 4.08Å; I369-E459 HydrophobicContact CB-CB 4.31Å; I369-E459 HydrophobicContact CG2-CB 3.7Å; I369-C463 HydrophobicContact CG2-CB 4.43Å; I369-C463 VanDerWaalsContact CG2-SG 3.53Å; I369-C463 PolarHBondContact O-SG 2.97Å |
| 370 | S | 91.1 | Very high | 86.8 | Confident | 32 Ų | 32 | 33 Ų | 33 | 22% | 0.224 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.7 | -46.4 | 178 | -170.6 | 0 | 0 | 0 | 0 | 111.7 | R366 L367 A368 L372 G373 S374 R462 | R366-S370 WeakPolarHBondContact O-CB 3.46Å; R366-S370 PolarHBondContact O-N 2.91Å; L367-S370 PolarHBondContact O-N 3.31Å; A368-S370 VanDerWaalsContact C-N 3.29Å; A368-S370 PolarHBondContact O-N 2.98Å; S370-L372 PolarHBondContact O-N 3.07Å; S370-G373 PolarHBondContact O-N 2.78Å; S370-S374 PolarHBondContact O-N 3.08Å; S370-S374 PolarHBondContact O-OG 3.45Å; S370-S374 VanDerWaalsContact O-OG 3.06Å; S370-R462 VanDerWaalsContact CA-NH2 3.31Å; S370-R462 PolarHBondContact O-NH2 3.11Å |
| 371 | M | 90.9 | Very high | 86.2 | Confident | 2 Ų | 2 | 30.8 Ų | 30.8 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.1 | -47.5 | 173.6 | -69.9 | -165 | -66.6 | 0 | 0 | 111.6 | L319 Y348 M353 L367 A368 G373 S374 S375 | L319-M371 HydrophobicContact CB-CG 4.49Å; L319-M371 HydrophobicContact CB-SD 4.46Å; L319-M371 HydrophobicContact CD2-CG 3.9Å; L319-M371 HydrophobicContact CD2-SD 3.49Å; L319-M371 WeakPolarHBondContact CD2-SD 3.49Å; L319-M371 HydrophobicContact CG-SD 4.02Å; Y348-M371 HydrophobicContact CD1-CE 4.15Å; Y348-M371 HydrophobicContact CD2-CE 3.55Å; Y348-M371 HydrophobicContact CD2-SD 3.58Å; Y348-M371 VanDerWaalsContact CD2-SD 3.58Å; Y348-M371 HydrophobicContact CE2-CE 4.02Å; Y348-M371 HydrophobicContact CE2-SD 4.09Å; Y348-M371 HydrophobicContact CG-CE 3.63Å; Y348-M371 HydrophobicContact CG-SD 4.18Å; M353-M371 HydrophobicContact CE-CB 3.76Å; M353-M371 HydrophobicContact CE-CE 4.08Å; M353-M371 HydrophobicContact CE-SD 4.03Å; M353-M371 HydrophobicContact CG-CE 3.99Å; M353-M371 HydrophobicContact SD-CB 4.08Å; L367-M371 HydrophobicContact CD2-CE 3.29Å; L367-M371 HydrophobicContact CD2-CG 4.19Å; L367-M371 HydrophobicContact CD2-SD 3.86Å; L367-M371 WeakPolarHBondContact O-CG 3.32Å; L367-M371 PolarHBondContact O-N 3.2Å; A368-M371 PolarHBondContact O-N 3.19Å; M371-G373 VanDerWaalsContact C-N 3.33Å; M371-G373 PolarHBondContact O-N 3.16Å; M371-S374 PolarHBondContact O-N 3.09Å; M371-S375 PolarHBondContact O-N 2.97Å; M371-S375 PolarHBondContact O-OG 3.08Å; M371-S375 VanDerWaalsContact O-OG 3.06Å |
| 372 | L | 91.2 | Very high | 85.4 | Confident | 6 Ų | 6 | 28 Ų | 28 | 3% | 0.031 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -57.1 | -47.2 | 176.8 | -74.6 | 171.9 | 0 | 0 | 0 | 111.6 | M353 F354 A368 I369 S370 S374 S375 L376 | M353-L372 HydrophobicContact CB-CD1 4.41Å; M353-L372 HydrophobicContact CB-CD2 4.03Å; M353-L372 HydrophobicContact CB-CG 4.08Å; M353-L372 HydrophobicContact CG-CD2 4.49Å; M353-L372 HydrophobicContact SD-CD2 3.6Å; M353-L372 HydrophobicContact SD-CG 3.91Å; F354-L372 HydrophobicContact CD1-CD1 4.1Å; F354-L372 HydrophobicContact CD1-CD2 4.39Å; F354-L372 HydrophobicContact CE1-CD1 4.1Å; F354-L372 HydrophobicContact CE1-CD2 4.01Å; A368-L372 WeakPolarHBondContact O-CG 3.47Å; A368-L372 PolarHBondContact O-N 3.49Å; I369-L372 PolarHBondContact O-N 2.94Å; S370-L372 PolarHBondContact O-N 3.07Å; L372-S374 VanDerWaalsContact C-N 3.31Å; L372-S374 PolarHBondContact O-N 3.1Å; L372-S375 PolarHBondContact O-N 3.39Å; L372-L376 VanDerWaalsContact O-CG 3.29Å; L372-L376 WeakPolarHBondContact O-CG 3.42Å; L372-L376 PolarHBondContact O-N 3.26Å |
| 373 | G | 89.5 | Confident | 85 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.7 | -41.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I369 S370 M371 L376 V377 C463 | I369-G373 PolarHBondContact O-N 3.07Å; S370-G373 PolarHBondContact O-N 2.78Å; M371-G373 VanDerWaalsContact C-N 3.33Å; M371-G373 PolarHBondContact O-N 3.16Å; G373-L376 PolarHBondContact O-N 2.62Å; G373-V377 WeakPolarHBondContact O-CG2 3.05Å; G373-V377 PolarHBondContact O-N 3.42Å; G373-C463 WeakPolarHBondContact CA-SG 3.35Å; G373-C463 PolarHBondContact N-SG 3.37Å |
| 374 | S | 88.6 | Confident | 84.3 | Confident | 25 Ų | 25 | 27 Ų | 27 | 18% | 0.175 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -66.3 | -43.3 | 176.2 | -57.9 | 0 | 0 | 0 | 0 | 111.7 | S320 S370 M371 L372 L376 V377 Q378 | S320-S374 WeakPolarHBondContact O-CB 3.43Å; S370-S374 PolarHBondContact O-N 3.08Å; S370-S374 PolarHBondContact O-OG 3.45Å; S370-S374 VanDerWaalsContact O-OG 3.06Å; M371-S374 PolarHBondContact O-N 3.09Å; L372-S374 VanDerWaalsContact C-N 3.31Å; L372-S374 PolarHBondContact O-N 3.1Å; S374-L376 VanDerWaalsContact C-N 3.28Å; S374-L376 PolarHBondContact O-N 2.87Å; S374-V377 WeakPolarHBondContact O-CB 3.32Å; S374-V377 PolarHBondContact O-N 3.06Å; S374-V377 VanDerWaalsContact O-N 3.07Å; S374-Q378 WeakPolarHBondContact O-CG 3.45Å; S374-Q378 PolarHBondContact O-N 3.18Å |
| 375 | S | 88.9 | Confident | 83.2 | Confident | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.007 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -59.6 | -38 | 176.3 | -61.2 | 0 | 0 | 0 | 0 | 112.4 | G321 M371 L372 Q378 T379 H384 | G321-S375 VanDerWaalsContact CA-OG 3.22Å; G321-S375 WeakPolarHBondContact CA-OG 3.36Å; G321-S375 WeakPolarHBondContact O-CA 3.4Å; M371-S375 PolarHBondContact O-N 2.97Å; M371-S375 PolarHBondContact O-OG 3.08Å; M371-S375 VanDerWaalsContact O-OG 3.06Å; L372-S375 PolarHBondContact O-N 3.39Å; S375-Q378 PolarHBondContact O-N 3.07Å; S375-T379 PolarHBondContact O-N 2.91Å; S375-T379 PolarHBondContact O-OG1 3.34Å; S375-H384 PolarHBondContact O-NE2 3.45Å |
| 376 | L | 88.8 | Confident | 81.7 | Confident | 2 Ų | 2 | 26.5 Ų | 26.5 | 1% | 0.01 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -65.1 | -39.8 | 174.9 | -67.2 | 171.4 | 0 | 0 | 0 | 111.9 | L372 G373 S374 T379 R380 I397 L400 N466 L467 | L372-L376 VanDerWaalsContact O-CG 3.29Å; L372-L376 WeakPolarHBondContact O-CG 3.42Å; L372-L376 PolarHBondContact O-N 3.26Å; G373-L376 PolarHBondContact O-N 2.62Å; S374-L376 VanDerWaalsContact C-N 3.28Å; S374-L376 PolarHBondContact O-N 2.87Å; L376-T379 WeakPolarHBondContact O-CB 3.47Å; L376-T379 PolarHBondContact O-N 3.26Å; L376-R380 PolarHBondContact O-N 2.69Å; L376-I397 HydrophobicContact CD2-CG1 3.74Å; L376-L400 HydrophobicContact CD2-CD1 3.94Å; L376-N466 HydrophobicContact CB-CB 3.97Å; L376-N466 HydrophobicContact CD1-CB 4.43Å; L376-L467 HydrophobicContact CD1-CB 4.06Å; L376-L467 HydrophobicContact CD1-CD1 4.32Å; L376-L467 HydrophobicContact CD2-CD1 3.89Å |
| 377 | V | 83.1 | Confident | 80.6 | Confident | 30 Ų | 30 | 26.2 Ų | 26.2 | 18% | 0.182 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.7 | -49.8 | 173.9 | 176 | 0 | 0 | 0 | 0 | 110.8 | G373 S374 T379 R380 L381 N466 | G373-V377 WeakPolarHBondContact O-CG2 3.05Å; G373-V377 PolarHBondContact O-N 3.42Å; S374-V377 WeakPolarHBondContact O-CB 3.32Å; S374-V377 PolarHBondContact O-N 3.06Å; S374-V377 VanDerWaalsContact O-N 3.07Å; V377-T379 PolarHBondContact O-N 3.1Å; V377-R380 PolarHBondContact O-N 2.87Å; V377-R380 VanDerWaalsContact O-N 3.07Å; V377-L381 HydrophobicContact CG1-CD1 4.27Å; V377-L381 PolarHBondContact O-N 3.04Å; V377-N466 HydrophobicContact CG2-CB 4.42Å; V377-N466 WeakPolarHBondContact CG2-ND2 3.2Å |
| 378 | Q | 80.5 | Confident | 79.5 | Confident | 23 Ų | 23 | 25.2 Ų | 25.2 | 11% | 0.107 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.7 | -33.7 | 179.2 | -58.6 | -54.6 | -18.6 | 0 | 0 | 112.2 | S320 L322 S374 S375 L381 R383 | S320-Q378 WeakPolarHBondContact O-CG 3.31Å; S320-Q378 PolarHBondContact O-NE2 3.28Å; S320-Q378 VanDerWaalsContact O-NE2 3.11Å; L322-Q378 HydrophobicContact CD2-CB 4.23Å; L322-Q378 HydrophobicContact CD2-CG 3.85Å; L322-Q378 HydrophobicContact CG-CG 4.24Å; S374-Q378 WeakPolarHBondContact O-CG 3.45Å; S374-Q378 PolarHBondContact O-N 3.18Å; S375-Q378 PolarHBondContact O-N 3.07Å; Q378-L381 PolarHBondContact O-N 3.34Å; Q378-R383 PolarHBondContact O-N 3.39Å |
| 379 | T | 80 | Confident | 77.9 | Confident | 3 Ų | 3 | 29.1 Ų | 29.1 | 2% | 0.018 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.5 | -46.4 | 175.1 | -52.7 | 0 | 0 | 0 | 0 | 111.9 | S375 L376 V377 L381 G382 H384 L396 I397 | S375-T379 PolarHBondContact O-N 2.91Å; S375-T379 PolarHBondContact O-OG1 3.34Å; L376-T379 WeakPolarHBondContact O-CB 3.47Å; L376-T379 PolarHBondContact O-N 3.26Å; V377-T379 PolarHBondContact O-N 3.1Å; T379-L381 VanDerWaalsContact C-N 3.26Å; T379-L381 PolarHBondContact O-N 2.9Å; T379-G382 PolarHBondContact O-N 3.16Å; T379-H384 PolarHBondContact OG1-CD2 3.14Å; T379-H384 PolarHBondContact OG1-NE2 2.99Å; T379-L396 HydrophobicContact CG2-CB 3.87Å; T379-L396 VanDerWaalsContact CG2-N 3.25Å; T379-L396 VanDerWaalsContact OG1-CB 3.27Å; T379-L396 WeakPolarHBondContact OG1-CB 3.49Å; T379-I397 HydrophobicContact CG2-CD1 4.23Å; T379-I397 HydrophobicContact CG2-CG1 4.2Å |
| 380 | R | 76.9 | Confident | 76.1 | Confident | 52 Ų | 52 | 32.5 Ų | 32.5 | 20% | 0.196 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -68.2 | -28.3 | -178.9 | -68.3 | -171.3 | 178.8 | -76.8 | -1.7 | 112.9 | L376 V377 G382 I397 N466 L467 C469 | L376-R380 PolarHBondContact O-N 2.69Å; V377-R380 PolarHBondContact O-N 2.87Å; V377-R380 VanDerWaalsContact O-N 3.07Å; R380-G382 PolarHBondContact O-N 2.94Å; R380-I397 HydrophobicContact CG-CD1 3.74Å; R380-N466 VanDerWaalsContact CZ-O 3.24Å; R380-N466 PolarHBondContact NE-O 3.42Å; R380-N466 PolarHBondContact NH2-O 3.43Å; R380-L467 VanDerWaalsContact NH2-C 3.26Å; R380-L467 PolarHBondContact NH2-O 2.96Å; R380-C469 PolarHBondContact NE-O 2.9Å; R380-C469 PolarHBondContact NH2-O 3.35Å |
| 381 | L | 71.6 | Confident | 74.4 | Confident | 70 Ų | 70 | 33.4 Ų | 33.4 | 37% | 0.366 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | 2.6 | 172.7 | -61.8 | 176.9 | 0 | 0 | 0 | 113.1 | V377 Q378 T379 R383 | V377-L381 HydrophobicContact CG1-CD1 4.27Å; V377-L381 PolarHBondContact O-N 3.04Å; Q378-L381 PolarHBondContact O-N 3.34Å; T379-L381 VanDerWaalsContact C-N 3.26Å; T379-L381 PolarHBondContact O-N 2.9Å; L381-R383 HydrophobicContact CB-CG 4.15Å; L381-R383 PolarHBondContact O-N 3.05Å |
| 382 | G | 69.7 | Low | 72.6 | Confident | 3 Ų | 3 | 34.9 Ų | 34.9 | 3% | 0.031 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70 | 11.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | T379 R380 H384 I385 | T379-G382 PolarHBondContact O-N 3.16Å; R380-G382 PolarHBondContact O-N 2.94Å; G382-H384 VanDerWaalsContact C-N 3.25Å; G382-H384 PolarHBondContact O-N 2.82Å; G382-I385 WeakPolarHBondContact O-CB 3.24Å; G382-I385 WeakPolarHBondContact O-CD1 3.42Å; G382-I385 WeakPolarHBondContact O-CG1 3.34Å; G382-I385 PolarHBondContact O-N 3.21Å |
| 383 | R | 72.2 | Confident | 71.2 | Confident | 113 Ų | 113 | 36.2 Ų | 36.2 | 43% | 0.426 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -17.1 | -174.1 | -71.2 | 170.5 | 172.3 | -167.5 | -2.8 | 113.7 | L322 Q378 L381 | L322-R383 HydrophobicContact CD2-CB 4.25Å; Q378-R383 PolarHBondContact O-N 3.39Å; L381-R383 HydrophobicContact CB-CG 4.15Å; L381-R383 PolarHBondContact O-N 3.05Å |
| 384 | H | 70.4 | Confident | 70 | Confident | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | -5.5 | 177.7 | -64.3 | -29.7 | 0 | 0 | 0 | 114.7 | F317 G321 S375 T379 G382 R386 Y387 L388 | F317-H384 AromaticContact CE1-CE1 3.83Å; F317-H384 AromaticContact CE1-NE2 3.81Å; G321-H384 PolarHBondContact O-CE1 3.36Å; G321-H384 PolarHBondContact O-NE2 3.48Å; S375-H384 PolarHBondContact O-NE2 3.45Å; T379-H384 PolarHBondContact OG1-CD2 3.14Å; T379-H384 PolarHBondContact OG1-NE2 2.99Å; G382-H384 VanDerWaalsContact C-N 3.25Å; G382-H384 PolarHBondContact O-N 2.82Å; H384-R386 PolarHBondContact O-N 3.4Å; H384-Y387 PolarHBondContact O-N 3.22Å; H384-L388 HydrophobicContact CB-CD1 3.52Å; H384-L388 HydrophobicContact CB-CG 3.93Å; H384-L388 PolarHBondContact O-N 3.28Å |
| 385 | I | 65.4 | Low | 69.4 | Low | 6 Ų | 6 | 35.1 Ų | 35.1 | 3% | 0.031 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | -37.5 | -169.8 | -72.3 | 167.4 | 0 | 0 | 0 | 113.1 | G382 P394 L912 L948 Y961 | G382-I385 WeakPolarHBondContact O-CB 3.24Å; G382-I385 WeakPolarHBondContact O-CD1 3.42Å; G382-I385 WeakPolarHBondContact O-CG1 3.34Å; G382-I385 PolarHBondContact O-N 3.21Å; I385-P394 HydrophobicContact CB-CB 4.48Å; I385-P394 HydrophobicContact CB-CG 3.98Å; I385-P394 HydrophobicContact CG1-CG 3.64Å; I385-P394 HydrophobicContact CG2-CG 4.05Å; I385-L912 HydrophobicContact CB-CD2 4.29Å; I385-L948 HydrophobicContact CD1-CD2 4.28Å; I385-L948 HydrophobicContact CG1-CD2 4.13Å; I385-Y961 HydrophobicContact CD1-CD1 4.3Å |
| 386 | R | 59.1 | Low | 69.1 | Low | 79 Ų | 79 | 35.3 Ų | 35.3 | 30% | 0.298 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -25 | -179.5 | -76.6 | -173.2 | -179.1 | 166.6 | 0.6 | 115.4 | H384 L912 P913 L971 | H384-R386 PolarHBondContact O-N 3.4Å; R386-L912 HydrophobicContact CB-CD2 4.49Å; R386-L912 HydrophobicContact CG-CB 4.17Å; R386-L912 HydrophobicContact CG-CD1 3.86Å; R386-L912 HydrophobicContact CG-CD2 4Å; R386-L912 HydrophobicContact CG-CG 4.22Å; R386-L912 PolarHBondContact NH1-O 3.01Å; R386-P913 PolarHBondContact NH1-O 3.35Å; R386-L971 HydrophobicContact CG-CB 4.32Å; R386-L971 PolarHBondContact NE-O 3.06Å; R386-L971 PolarHBondContact NH2-O 2.8Å |
| 387 | Y | 64.3 | Low | 68.9 | Low | 64 Ų | 64 | 35.3 Ų | 35.3 | 25% | 0.251 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | -17.2 | -166.6 | -56.8 | -72.8 | 0 | 0 | 0 | 113.3 | V323 P325 H384 | V323-Y387 HydrophobicContact CB-CD2 4.02Å; V323-Y387 HydrophobicContact CB-CG 3.95Å; V323-Y387 HydrophobicContact CG1-CD1 4.33Å; V323-Y387 HydrophobicContact CG1-CG 3.96Å; P325-Y387 HydrophobicContact CG-CE1 4.42Å; H384-Y387 PolarHBondContact O-N 3.22Å |
| 388 | L | 64.2 | Low | 68.6 | Low | 18 Ų | 18 | 34.2 Ų | 34.2 | 9% | 0.094 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -102.1 | 136.8 | 179.9 | -64.5 | 179.8 | 0 | 0 | 0 | 111.5 | A315 F317 H384 P394 L396 | A315-L388 HydrophobicContact CB-CD2 4.09Å; F317-L388 HydrophobicContact CZ-CD2 4.48Å; H384-L388 HydrophobicContact CB-CD1 3.52Å; H384-L388 HydrophobicContact CB-CG 3.93Å; H384-L388 PolarHBondContact O-N 3.28Å; L388-P394 HydrophobicContact CB-CB 4.37Å; L388-L396 HydrophobicContact CD1-CB 3.91Å |
| 389 | A | 57.7 | Low | 68.5 | Low | 82 Ų | 82 | 35.4 Ų | 35.4 | 68% | 0.678 | 19% | 0.19 | S | C | * | . | S | Bend | trans | -106.9 | 146 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 390 | P | 55.3 | Low | 68.7 | Low | 71 Ų | 71 | 35.8 Ų | 35.8 | 46% | 0.461 | 19% | 0.192 | S | C | . | . | S | Bend | cis | -73.8 | 146.1 | -1.8 | 30.9 | -33.9 | 0 | 0 | 0 | 112.2 | N392 S393 | P390-N392 PolarHBondContact O-N 2.98Å; P390-N392 VanDerWaalsContact O-N 3.08Å; P390-S393 CarbonylContact O-C 3.55Å; P390-S393 PolarHBondContact O-N 2.84Å |
| 391 | V | 54 | Low | 68.9 | Low | 51 Ų | 51 | 33.3 Ų | 33.3 | 31% | 0.309 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -29 | 179.6 | 172.3 | 0 | 0 | 0 | 0 | 112.5 | S393 P394 L971 | V391-S393 VanDerWaalsContact C-N 3.29Å; V391-S393 PolarHBondContact O-N 3.39Å; V391-P394 WeakPolarHBondContact O-CD 3.25Å; V391-L971 HydrophobicContact CB-CD1 4.48Å; V391-L971 HydrophobicContact CG1-CD1 3.42Å; V391-L971 VanDerWaalsContact CG1-CD1 3.42Å; V391-L971 HydrophobicContact CG1-CD2 3.72Å; V391-L971 HydrophobicContact CG1-CG 4.15Å; V391-L971 HydrophobicContact CG2-CD1 4.24Å |
| 392 | N | 52.9 | Low | 68.9 | Low | 32 Ų | 32 | 32.7 Ų | 32.7 | 17% | 0.171 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -20.8 | -177.2 | -65.5 | 27.5 | 0 | 0 | 0 | 113.4 | P390 Q1075 | P390-N392 PolarHBondContact O-N 2.98Å; P390-N392 VanDerWaalsContact O-N 3.08Å; N392-Q1075 PolarHBondContact ND2-NE2 2.99Å; N392-Q1075 PolarHBondContact ND2-OE1 3.36Å |
| 393 | S | 61.4 | Low | 68.4 | Low | 35 Ų | 35 | 34.1 Ų | 34.1 | 25% | 0.245 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -142.8 | 68.2 | 176.9 | 64.8 | 0 | 0 | 0 | 0 | 109.8 | P390 V391 S395 | P390-S393 CarbonylContact O-C 3.55Å; P390-S393 PolarHBondContact O-N 2.84Å; V391-S393 VanDerWaalsContact C-N 3.29Å; V391-S393 PolarHBondContact O-N 3.39Å; S393-S395 PolarHBondContact O-N 2.99Å |
| 394 | P | 64.2 | Low | 67.5 | Low | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.013 | 20% | 0.196 | C | C | . | . | trans | -86.3 | 38.3 | -166.2 | 39.6 | -39.1 | 0 | 0 | 0 | 111.7 | I385 L388 V391 V946 L948 | I385-P394 HydrophobicContact CB-CB 4.48Å; I385-P394 HydrophobicContact CB-CG 3.98Å; I385-P394 HydrophobicContact CG1-CG 3.64Å; I385-P394 HydrophobicContact CG2-CG 4.05Å; L388-P394 HydrophobicContact CB-CB 4.37Å; V391-P394 WeakPolarHBondContact O-CD 3.25Å; P394-V946 VanDerWaalsContact CD-CG1 3.48Å; P394-V946 HydrophobicContact CG-CG1 3.96Å; P394-L948 HydrophobicContact CG-CD2 4.33Å | ||
| 395 | S | 75.9 | Confident | 66.2 | Low | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | -101 | 118.1 | 179.4 | 48.1 | 0 | 0 | 0 | 0 | 110.1 | S393 I397 T398 C399 L948 | S393-S395 PolarHBondContact O-N 2.99Å; S395-I397 PolarHBondContact O-N 3.49Å; S395-T398 WeakPolarHBondContact O-CA 3.13Å; S395-T398 WeakPolarHBondContact O-CB 3.44Å; S395-T398 PolarHBondContact O-N 3.4Å; S395-T398 WeakPolarHBondContact OG-CB 3.5Å; S395-T398 PolarHBondContact OG-OG1 2.86Å; S395-C399 PolarHBondContact O-N 2.89Å; S395-L948 VanDerWaalsContact CB-O 3.22Å; S395-L948 WeakPolarHBondContact CB-O 3.24Å; S395-L948 PolarHBondContact OG-O 3.4Å | ||
| 396 | L | 82.9 | Confident | 64.6 | Low | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.021 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -51 | -38.6 | 171.1 | 179.1 | 61.3 | 0 | 0 | 0 | 111.8 | F317 I350 T379 L388 T398 C399 L400 | F317-L396 HydrophobicContact CE1-CD2 4.32Å; F317-L396 HydrophobicContact CZ-CD1 4.28Å; F317-L396 HydrophobicContact CZ-CD2 4.25Å; I350-L396 HydrophobicContact CD1-CD1 3.37Å; I350-L396 HydrophobicContact CG1-CD1 4.26Å; T379-L396 HydrophobicContact CG2-CB 3.87Å; T379-L396 VanDerWaalsContact CG2-N 3.25Å; T379-L396 VanDerWaalsContact OG1-CB 3.27Å; T379-L396 WeakPolarHBondContact OG1-CB 3.49Å; L388-L396 HydrophobicContact CD1-CB 3.91Å; L396-T398 VanDerWaalsContact C-N 3.27Å; L396-T398 PolarHBondContact O-N 3.49Å; L396-C399 PolarHBondContact O-N 3.36Å; L396-L400 HydrophobicContact CD1-CD1 4.1Å; L396-L400 HydrophobicContact CD1-CG 4.19Å; L396-L400 HydrophobicContact CD2-CD1 4.37Å; L396-L400 HydrophobicContact CG-CD1 3.75Å; L396-L400 HydrophobicContact CG-CG 4.29Å; L396-L400 WeakPolarHBondContact O-CB 3.47Å; L396-L400 WeakPolarHBondContact O-CG 3.24Å; L396-L400 PolarHBondContact O-N 3.26Å |
| 397 | I | 85.3 | Confident | 63.1 | Low | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -56 | -43.4 | 176.2 | -64.3 | 164.2 | 0 | 0 | 0 | 110.8 | L376 T379 R380 S395 L400 L401 L467 P950 | L376-I397 HydrophobicContact CD2-CG1 3.74Å; T379-I397 HydrophobicContact CG2-CD1 4.23Å; T379-I397 HydrophobicContact CG2-CG1 4.2Å; R380-I397 HydrophobicContact CG-CD1 3.74Å; S395-I397 PolarHBondContact O-N 3.49Å; I397-L400 PolarHBondContact O-N 3.37Å; I397-L401 HydrophobicContact CG2-CD1 3.79Å; I397-L401 HydrophobicContact CG2-CG 4.48Å; I397-L401 WeakPolarHBondContact O-CB 3.46Å; I397-L401 WeakPolarHBondContact O-CG 3.44Å; I397-L401 PolarHBondContact O-N 3.06Å; I397-L467 HydrophobicContact CG2-CD1 4.33Å; I397-P950 HydrophobicContact CG2-CG 3.91Å |
| 398 | T | 77.2 | Confident | 61.4 | Low | 8 Ų | 8 | 48.4 Ų | 48.4 | 5% | 0.049 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.8 | -46 | 177.7 | -62.4 | 0 | 0 | 0 | 0 | 111.5 | S395 L396 L400 L401 L402 P950 | S395-T398 WeakPolarHBondContact O-CA 3.13Å; S395-T398 WeakPolarHBondContact O-CB 3.44Å; S395-T398 PolarHBondContact O-N 3.4Å; S395-T398 WeakPolarHBondContact OG-CB 3.5Å; S395-T398 PolarHBondContact OG-OG1 2.86Å; L396-T398 VanDerWaalsContact C-N 3.27Å; L396-T398 PolarHBondContact O-N 3.49Å; T398-L400 VanDerWaalsContact C-N 3.25Å; T398-L400 PolarHBondContact O-N 3.02Å; T398-L401 PolarHBondContact O-N 2.93Å; T398-L402 HydrophobicContact CG2-CD1 3.27Å; T398-L402 HydrophobicContact CG2-CG 3.77Å; T398-L402 VanDerWaalsContact O-CB 3.3Å; T398-L402 WeakPolarHBondContact O-CB 3.38Å; T398-L402 VanDerWaalsContact O-CG 3.24Å; T398-L402 WeakPolarHBondContact O-CG 3.43Å; T398-L402 PolarHBondContact O-N 3.31Å; T398-P950 HydrophobicContact CG2-CB 4.38Å; T398-P950 VanDerWaalsContact OG1-CA 3.23Å; T398-P950 WeakPolarHBondContact OG1-CA 3.42Å; T398-P950 WeakPolarHBondContact OG1-CB 3.47Å |
| 399 | C | 78 | Confident | 59.8 | Low | 48 Ų | 48 | 56.6 Ų | 56.6 | 32% | 0.324 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.7 | -34.9 | 175.4 | -60.1 | 0 | 0 | 0 | 0 | 112.8 | S395 L396 G418 | S395-C399 PolarHBondContact O-N 2.89Å; L396-C399 PolarHBondContact O-N 3.36Å; C399-G418 PolarHBondContact O-N 2.78Å |
| 400 | L | 84 | Confident | 58.5 | Low | 11 Ų | 11 | 57 Ų | 57 | 6% | 0.058 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -78.5 | -30.4 | -178.3 | -71.1 | 171.4 | 0 | 0 | 0 | 113.8 | I350 F354 L376 L396 I397 T398 G418 I422 | I350-L400 HydrophobicContact CG2-CD2 4.19Å; F354-L400 HydrophobicContact CZ-CD2 3.82Å; L376-L400 HydrophobicContact CD2-CD1 3.94Å; L396-L400 HydrophobicContact CD1-CD1 4.1Å; L396-L400 HydrophobicContact CD1-CG 4.19Å; L396-L400 HydrophobicContact CD2-CD1 4.37Å; L396-L400 HydrophobicContact CG-CD1 3.75Å; L396-L400 HydrophobicContact CG-CG 4.29Å; L396-L400 WeakPolarHBondContact O-CB 3.47Å; L396-L400 WeakPolarHBondContact O-CG 3.24Å; L396-L400 PolarHBondContact O-N 3.26Å; I397-L400 PolarHBondContact O-N 3.37Å; T398-L400 VanDerWaalsContact C-N 3.25Å; T398-L400 PolarHBondContact O-N 3.02Å; L400-G418 CarbonylContact O-C 3.58Å; L400-G418 WeakPolarHBondContact O-CA 3.34Å; L400-I422 HydrophobicContact CB-CG2 4.17Å; L400-I422 HydrophobicContact CD1-CD1 3.75Å; L400-I422 HydrophobicContact CD2-CD1 4.31Å |
| 401 | L | 81.3 | Confident | 57.3 | Low | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -100.3 | -27.3 | -175.4 | -67.4 | 178.1 | 0 | 0 | 0 | 114.3 | I397 T398 I422 L423 L467 A523 P526 P950 L953 | I397-L401 HydrophobicContact CG2-CD1 3.79Å; I397-L401 HydrophobicContact CG2-CG 4.48Å; I397-L401 WeakPolarHBondContact O-CB 3.46Å; I397-L401 WeakPolarHBondContact O-CG 3.44Å; I397-L401 PolarHBondContact O-N 3.06Å; T398-L401 PolarHBondContact O-N 2.93Å; L401-I422 HydrophobicContact CD2-CG2 4.29Å; L401-L423 HydrophobicContact CD2-CD1 4.08Å; L401-L423 HydrophobicContact CD2-CG 4.23Å; L401-L467 HydrophobicContact CD1-CD1 4.33Å; L401-L467 HydrophobicContact CD1-CG 4.48Å; L401-L467 HydrophobicContact CD2-CD1 4.37Å; L401-L467 HydrophobicContact CD2-CD2 4.26Å; L401-L467 HydrophobicContact CD2-CG 4.4Å; L401-L467 HydrophobicContact CG-CD1 4.27Å; L401-A523 WeakPolarHBondContact O-CA 3.46Å; L401-A523 WeakPolarHBondContact O-CB 3.25Å; L401-P526 HydrophobicContact CD1-CG 4.41Å; L401-P526 HydrophobicContact CD2-CB 4.3Å; L401-P950 HydrophobicContact CD1-CG 4.21Å; L401-L953 HydrophobicContact CD1-CD1 4.14Å |
| 402 | L | 70.7 | Confident | 56.3 | Low | 56 Ų | 56 | 62.4 Ų | 62.4 | 29% | 0.293 | 35% | 0.354 | S | S | . | . | trans | -60.8 | 143.9 | -175.4 | -82.9 | 172.8 | 0 | 0 | 0 | 113.5 | T398 G417 C419 S951 | T398-L402 HydrophobicContact CG2-CD1 3.27Å; T398-L402 HydrophobicContact CG2-CG 3.77Å; T398-L402 VanDerWaalsContact O-CB 3.3Å; T398-L402 WeakPolarHBondContact O-CB 3.38Å; T398-L402 VanDerWaalsContact O-CG 3.24Å; T398-L402 WeakPolarHBondContact O-CG 3.43Å; T398-L402 PolarHBondContact O-N 3.31Å; L402-G417 CarbonylContact O-C 3.47Å; L402-C419 WeakPolarHBondContact O-CA 3.29Å; L402-C419 PolarHBondContact O-N 2.94Å; L402-S951 WeakPolarHBondContact CD2-OG 3.32Å | ||
| 403 | S | 61.2 | Low | 55.3 | Low | 33 Ų | 33 | 64.1 Ų | 64.1 | 23% | 0.231 | 37% | 0.372 | C | S | . | . | trans | -74.3 | 160.1 | 172.6 | -173.7 | 0 | 0 | 0 | 0 | 111.9 | N405 | S403-N405 PolarHBondContact O-N 3.42Š| ||
| 404 | K | 53.4 | Low | 54.1 | Low | 133 Ų | 133 | 69.8 Ų | 69.8 | 58% | 0.578 | 40% | 0.4 | S | S | * | . | trans | -60.9 | 115.3 | 167.1 | -79 | 169.4 | -175.8 | 175.7 | 0 | 108.7 | T406 | K404-T406 PolarHBondContact O-N 3.41Š| ||
| 405 | N | 42.6 | Very low | 52.8 | Low | 131 Ų | 131 | 75.3 Ų | 75.3 | 70% | 0.701 | 43% | 0.425 | S | S | * | . | trans | -65 | 102.1 | 164.2 | -79.2 | -3.4 | 0 | 0 | 0 | 108.1 | S403 S407 | S403-N405 PolarHBondContact O-N 3.42Å; N405-S407 PolarHBondContact O-N 3.09Å | ||
| 406 | T | 30.8 | Very low | 51.2 | Low | 126 Ų | 126 | 81.1 Ų | 81.1 | 77% | 0.773 | 46% | 0.461 | S | S | * | . | trans | -76.9 | 115 | 168.9 | 43.7 | 0 | 0 | 0 | 0 | 108.5 | K404 | K404-T406 PolarHBondContact O-N 3.41Š| ||
| 407 | S | 27.6 | Very low | 49.7 | Very low | 100 Ų | 100 | 82.2 Ų | 82.2 | 70% | 0.699 | 47% | 0.473 | S | S | * | . | trans | 125.4 | 89.9 | 162.6 | 65.2 | 0 | 0 | 0 | 0 | 115.2 | N405 | N405-S407 PolarHBondContact O-N 3.09Š| ||
| 408 | S | 28.2 | Very low | 48.5 | Very low | 74 Ų | 74 | 83.7 Ų | 83.7 | 52% | 0.517 | 49% | 0.489 | S | S | . | . | 172.5 | 137.1 | 129.9 | -176.4 | 0 | 0 | 0 | 0 | 110.1 | I410 | S408-I410 PolarHBondContact O-N 3.08Š| |||
| 409 | E | 30.7 | Very low | 48.2 | Very low | 189 Ų | 189 | 84.4 Ų | 84.4 | 88% | 0.883 | 49% | 0.494 | S | S | * | . | trans | -70.2 | 51.1 | -170.7 | -59.5 | 173.6 | 150.7 | 0 | 0 | 114.5 | P411 | E409-P411 WeakPolarHBondContact O-CD 3.44Š| ||
| 410 | I | 30.3 | Very low | 48.1 | Very low | 92 Ų | 92 | 82.1 Ų | 82.1 | 47% | 0.472 | 48% | 0.478 | S | S | . | . | trans | -101.8 | 102 | 164.7 | -54.4 | 173.8 | 0 | 0 | 0 | 106.8 | S408 N412 | S408-I410 PolarHBondContact O-N 3.08Å; I410-N412 PolarHBondContact O-N 3.29Å | ||
| 411 | P | 30.4 | Very low | 48 | Very low | 117 Ų | 117 | 83.1 Ų | 83.1 | 76% | 0.76 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -6.9 | -169.2 | -18.2 | 31.6 | 0 | 0 | 0 | 115 | E409 | E409-P411 WeakPolarHBondContact O-CD 3.44Š|
| 412 | N | 33.4 | Very low | 48.4 | Very low | 118 Ų | 118 | 83.2 Ų | 83.2 | 63% | 0.631 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.5 | 9.5 | -164 | -67.4 | -8.7 | 0 | 0 | 0 | 116.1 | I410 | I410-N412 PolarHBondContact O-N 3.29Š|
| 413 | A | 31.6 | Very low | 49.3 | Very low | 67 Ų | 67 | 80.6 Ų | 80.6 | 55% | 0.554 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -105.2 | 95.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q415 | A413-Q415 WeakPolarHBondContact O-CG 3.4Å; A413-Q415 PolarHBondContact O-N 3.47Å |
| 414 | N | 36.1 | Very low | 50.6 | Low | 154 Ų | 154 | 82.4 Ų | 82.4 | 82% | 0.824 | 48% | 0.482 | S | S | * | . | trans | -1.7 | 80.1 | 169.4 | -62.3 | -10 | 0 | 0 | 0 | 116.5 | T416 | N414-T416 VanDerWaalsContact C-N 3.27Å; N414-T416 PolarHBondContact O-N 3.36Å; N414-T416 VanDerWaalsContact O-N 3.16Å | ||
| 415 | Q | 36.9 | Very low | 52.4 | Low | 119 Ų | 119 | 77.2 Ų | 77.2 | 56% | 0.556 | 46% | 0.461 | S | S | * | . | trans | -84.6 | 33.7 | -176.3 | -63.3 | -174.2 | -5.1 | 0 | 0 | 114.3 | A413 | A413-Q415 WeakPolarHBondContact O-CG 3.4Å; A413-Q415 PolarHBondContact O-N 3.47Å | ||
| 416 | T | 42.3 | Very low | 54.8 | Low | 122 Ų | 122 | 71 Ų | 71 | 75% | 0.748 | 43% | 0.428 | S | S | * | . | trans | -117.2 | 72.4 | -173.7 | 61 | 0 | 0 | 0 | 0 | 112 | N414 | N414-T416 VanDerWaalsContact C-N 3.27Å; N414-T416 PolarHBondContact O-N 3.36Å; N414-T416 VanDerWaalsContact O-N 3.16Å | ||
| 417 | G | 51.5 | Low | 57.7 | Low | 27 Ų | 27 | 66.4 Ų | 66.4 | 28% | 0.278 | 40% | 0.396 | S | S | . | . | trans | -62.6 | 146.2 | 159.4 | 0 | 0 | 0 | 0 | 0 | 110 | L402 C419 | L402-G417 CarbonylContact O-C 3.47Å; G417-C419 PolarHBondContact O-N 2.97Å; G417-C419 PolarHBondContact O-SG 3.39Å | ||
| 418 | G | 60.4 | Low | 60.7 | Low | 33 Ų | 33 | 67.4 Ų | 67.4 | 34% | 0.34 | 39% | 0.385 | S | S | . | . | trans | -62.8 | -10.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | C399 L400 G420 G421 | C399-G418 PolarHBondContact O-N 2.78Å; L400-G418 CarbonylContact O-C 3.58Å; L400-G418 WeakPolarHBondContact O-CA 3.34Å; G418-G420 PolarHBondContact O-N 3.17Å; G418-G420 VanDerWaalsContact O-N 3.1Å; G418-G421 PolarHBondContact O-N 3.14Å | ||
| 419 | C | 70.2 | Confident | 63.7 | Low | 22 Ų | 22 | 64 Ų | 64 | 15% | 0.149 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 48.4 | 37 | 177 | -59.3 | 0 | 0 | 0 | 0 | 113.5 | L402 G417 G421 | L402-C419 WeakPolarHBondContact O-CA 3.29Å; L402-C419 PolarHBondContact O-N 2.94Å; G417-C419 PolarHBondContact O-N 2.97Å; G417-C419 PolarHBondContact O-SG 3.39Å; C419-G421 PolarHBondContact O-N 3.33Å; C419-G421 VanDerWaalsContact O-N 3.13Å |
| 420 | G | 75.6 | Confident | 66.6 | Low | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.1 | 6.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | G418 I422 L423 F424 | G418-G420 PolarHBondContact O-N 3.17Å; G418-G420 VanDerWaalsContact O-N 3.1Å; G420-I422 PolarHBondContact O-N 3.09Å; G420-I422 VanDerWaalsContact O-N 3.1Å; G420-L423 VanDerWaalsContact O-CB 3.29Å; G420-L423 WeakPolarHBondContact O-CB 3.27Å; G420-L423 PolarHBondContact O-N 3.29Å; G420-F424 WeakPolarHBondContact O-CD2 3.34Å |
| 421 | G | 82.8 | Confident | 69.5 | Low | 33 Ų | 33 | 53 Ų | 53 | 34% | 0.34 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -54.8 | -31.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | G418 C419 L423 F424 L425 | G418-G421 PolarHBondContact O-N 3.14Å; C419-G421 PolarHBondContact O-N 3.33Å; C419-G421 VanDerWaalsContact O-N 3.13Å; G421-L423 PolarHBondContact O-N 2.81Å; G421-F424 PolarHBondContact O-N 3.28Å; G421-L425 PolarHBondContact O-N 3.32Å; G421-L425 VanDerWaalsContact O-N 3.07Å |
| 422 | I | 89.2 | Confident | 72.3 | Confident | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.6 | -32.4 | 174.8 | -170.8 | 167.6 | 0 | 0 | 0 | 112.7 | F354 L400 L401 G420 L425 L426 L467 | F354-I422 HydrophobicContact CE1-CD1 4.29Å; F354-I422 HydrophobicContact CE1-CG1 4.38Å; F354-I422 HydrophobicContact CZ-CB 4.24Å; F354-I422 HydrophobicContact CZ-CD1 4.39Å; F354-I422 HydrophobicContact CZ-CG1 4.36Å; L400-I422 HydrophobicContact CB-CG2 4.17Å; L400-I422 HydrophobicContact CD1-CD1 3.75Å; L400-I422 HydrophobicContact CD2-CD1 4.31Å; L401-I422 HydrophobicContact CD2-CG2 4.29Å; G420-I422 PolarHBondContact O-N 3.09Å; G420-I422 VanDerWaalsContact O-N 3.1Å; I422-L425 PolarHBondContact O-N 3.48Å; I422-L426 HydrophobicContact CD1-CD1 4.43Å; I422-L426 HydrophobicContact CG1-CD1 3.96Å; I422-L426 HydrophobicContact CG1-CG 4.17Å; I422-L426 WeakPolarHBondContact O-CB 3.24Å; I422-L426 WeakPolarHBondContact O-CG 3.46Å; I422-L426 PolarHBondContact O-N 3.43Å; I422-L467 HydrophobicContact CG2-CD1 4.37Å; I422-L467 HydrophobicContact CG2-CD2 3.72Å |
| 423 | L | 90.1 | Very high | 74.9 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.8 | -41.7 | 178.2 | -64.3 | 171.1 | 0 | 0 | 0 | 110.8 | L401 G420 G421 R427 L464 L467 I468 A522 P526 F529 L530 | L401-L423 HydrophobicContact CD2-CD1 4.08Å; L401-L423 HydrophobicContact CD2-CG 4.23Å; G420-L423 VanDerWaalsContact O-CB 3.29Å; G420-L423 WeakPolarHBondContact O-CB 3.27Å; G420-L423 PolarHBondContact O-N 3.29Å; G421-L423 PolarHBondContact O-N 2.81Å; L423-R427 WeakPolarHBondContact O-CB 3.45Å; L423-R427 PolarHBondContact O-N 3.47Å; L423-L464 HydrophobicContact CD2-CD2 4.25Å; L423-L467 HydrophobicContact CD2-CD2 3.42Å; L423-L467 VanDerWaalsContact CD2-CD2 3.42Å; L423-L467 HydrophobicContact CG-CD2 4.17Å; L423-I468 HydrophobicContact CD2-CD1 4.08Å; L423-A522 HydrophobicContact CD1-CB 4.17Å; L423-P526 HydrophobicContact CD1-CB 3.6Å; L423-F529 HydrophobicContact CB-CD1 4.37Å; L423-F529 HydrophobicContact CB-CE1 4.13Å; L423-F529 HydrophobicContact CD1-CD1 4.14Å; L423-L530 HydrophobicContact CB-CD2 4.28Å; L423-L530 HydrophobicContact CD2-CD1 3.98Å; L423-L530 HydrophobicContact CD2-CD2 3.99Å; L423-L530 HydrophobicContact CD2-CG 4Å |
| 424 | F | 88.5 | Confident | 77.6 | Confident | 72 Ų | 72 | 41.5 Ų | 41.5 | 32% | 0.316 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.9 | -44.3 | 174.6 | -64 | -91.7 | 0 | 0 | 0 | 111.5 | G420 G421 R427 W428 D518 A522 F529 | G420-F424 WeakPolarHBondContact O-CD2 3.34Å; G421-F424 PolarHBondContact O-N 3.28Å; F424-R427 PolarHBondContact O-N 2.73Å; F424-W428 VanDerWaalsContact O-CB 3.25Å; F424-W428 WeakPolarHBondContact O-CB 3.29Å; F424-W428 PolarHBondContact O-N 3.32Å; F424-D518 HydrophobicContact CE1-CB 4.04Å; F424-D518 HydrophobicContact CZ-CB 3.77Å; F424-A522 HydrophobicContact CE2-CB 3.88Å; F424-A522 HydrophobicContact CZ-CB 4.34Å; F424-F529 AromaticContact CD1-CZ 3.97Å; F424-F529 HydrophobicContact CD1-CZ 3.97Å; F424-F529 HydrophobicContact CD2-CZ 4.45Å; F424-F529 HydrophobicContact CE1-CE1 4.36Å; F424-F529 AromaticContact CE1-CE2 3.88Å; F424-F529 HydrophobicContact CE1-CE2 3.88Å; F424-F529 AromaticContact CE1-CZ 3.36Å; F424-F529 HydrophobicContact CE1-CZ 3.36Å; F424-F529 HydrophobicContact CE2-CE1 4.34Å; F424-F529 HydrophobicContact CE2-CE2 4.42Å; F424-F529 AromaticContact CE2-CZ 3.9Å; F424-F529 HydrophobicContact CE2-CZ 3.9Å; F424-F529 HydrophobicContact CG-CZ 4.48Å; F424-F529 HydrophobicContact CZ-CE1 4.17Å; F424-F529 AromaticContact CZ-CE2 3.62Å; F424-F529 HydrophobicContact CZ-CE2 3.62Å; F424-F529 AromaticContact CZ-CZ 3.31Å; F424-F529 HydrophobicContact CZ-CZ 3.31Å |
| 425 | L | 90.8 | Very high | 80 | Confident | 24 Ų | 24 | 37.2 Ų | 37.2 | 13% | 0.126 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.4 | -52.3 | 178.3 | -178.6 | 67.2 | 0 | 0 | 0 | 111.4 | F354 C357 R358 G421 I422 R427 W428 C429 | F354-L425 HydrophobicContact CB-CD2 4.19Å; F354-L425 HydrophobicContact CD1-CD2 3.59Å; F354-L425 HydrophobicContact CE1-CD2 4.05Å; F354-L425 HydrophobicContact CG-CD2 3.87Å; C357-L425 HydrophobicContact CB-CD1 4.2Å; C357-L425 HydrophobicContact CB-CD2 4.07Å; C357-L425 HydrophobicContact CB-CG 4.35Å; R358-L425 HydrophobicContact CG-CD1 3.87Å; G421-L425 PolarHBondContact O-N 3.32Å; G421-L425 VanDerWaalsContact O-N 3.07Å; I422-L425 PolarHBondContact O-N 3.48Å; L425-R427 VanDerWaalsContact C-N 3.34Å; L425-R427 PolarHBondContact O-N 3.15Å; L425-W428 PolarHBondContact O-N 3.11Å; L425-C429 PolarHBondContact O-N 3.04Å; L425-C429 PolarHBondContact O-SG 2.74Å |
| 426 | L | 93 | Very high | 82.2 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.3 | -39.2 | 180 | -71 | 174.8 | 0 | 0 | 0 | 111.8 | I369 I422 C429 L430 C463 L464 L467 | I369-L426 HydrophobicContact CG2-CD2 4.32Å; I422-L426 HydrophobicContact CD1-CD1 4.43Å; I422-L426 HydrophobicContact CG1-CD1 3.96Å; I422-L426 HydrophobicContact CG1-CG 4.17Å; I422-L426 WeakPolarHBondContact O-CB 3.24Å; I422-L426 WeakPolarHBondContact O-CG 3.46Å; I422-L426 PolarHBondContact O-N 3.43Å; L426-C429 PolarHBondContact O-N 3.48Å; L426-L430 VanDerWaalsContact O-CB 3.32Å; L426-L430 WeakPolarHBondContact O-CB 3.27Å; L426-L430 PolarHBondContact O-N 2.93Å; L426-C463 HydrophobicContact CD1-CB 3.79Å; L426-C463 HydrophobicContact CD2-CB 3.69Å; L426-C463 HydrophobicContact CG-CB 4.42Å; L426-L464 HydrophobicContact CB-CD2 3.85Å; L426-L464 HydrophobicContact CB-CG 4.17Å; L426-L464 HydrophobicContact CD1-CD2 3.88Å; L426-L464 HydrophobicContact CD1-CG 4.21Å; L426-L467 HydrophobicContact CD1-CD2 4.36Å |
| 427 | R | 91.6 | Very high | 83.9 | Confident | 28 Ų | 28 | 28.4 Ų | 28.4 | 11% | 0.106 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.6 | -44.1 | 175.1 | -175.1 | 73.7 | -172.5 | 105.5 | 32.1 | 111.3 | L423 F424 L425 L430 D431 S534 R539 | L423-R427 WeakPolarHBondContact O-CB 3.45Å; L423-R427 PolarHBondContact O-N 3.47Å; F424-R427 PolarHBondContact O-N 2.73Å; L425-R427 VanDerWaalsContact C-N 3.34Å; L425-R427 PolarHBondContact O-N 3.15Å; R427-L430 PolarHBondContact O-N 2.78Å; R427-D431 IonicContact CZ-OD1 3.67Å; R427-D431 VanDerWaalsContact CZ-OD1 3.27Å; R427-D431 IonicContact CZ-OD2 2.73Å; R427-D431 IonicContact NH1-OD1 2.67Å; R427-D431 PolarHBondContact NH1-OD1 3.39Å; R427-D431 IonicContact NH2-OD1 3.18Å; R427-D431 PolarHBondContact NH2-OD1 2.86Å; R427-D431 IonicContact NH2-OD2 3.99Å; R427-D431 PolarHBondContact NH2-OD2 2.88Å; R427-D431 VanDerWaalsContact NH2-OD2 3.07Å; R427-D431 PolarHBondContact O-N 2.86Å; R427-S534 WeakPolarHBondContact CD-OG 3.38Å; R427-S534 PolarHBondContact NE-O 2.86Å; R427-S534 VanDerWaalsContact NE-O 3.13Å; R427-S534 PolarHBondContact NE-OG 3.42Å; R427-R539 VanDerWaalsContact NH1-CB 3.27Å |
| 428 | W | 90.3 | Very high | 85.2 | Confident | 122 Ų | 122 | 28.6 Ų | 28.6 | 46% | 0.462 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -64.6 | -46.9 | 176.9 | 176.8 | 85.3 | 0 | 0 | 0 | 111.8 | R358 F424 L425 L430 D431 E432 | R358-W428 HydrophobicContact CB-CZ3 4.44Å; R358-W428 HydrophobicContact CG-CZ3 4.23Å; F424-W428 VanDerWaalsContact O-CB 3.25Å; F424-W428 WeakPolarHBondContact O-CB 3.29Å; F424-W428 PolarHBondContact O-N 3.32Å; L425-W428 PolarHBondContact O-N 3.11Å; W428-L430 VanDerWaalsContact C-N 3.29Å; W428-L430 PolarHBondContact O-N 2.98Å; W428-D431 PolarHBondContact O-N 3.07Å; W428-D431 VanDerWaalsContact O-N 3.12Å; W428-E432 WeakPolarHBondContact CH2-OE2 3.27Å; W428-E432 WeakPolarHBondContact CZ2-OE2 3.39Å; W428-E432 WeakPolarHBondContact CZ3-OE2 3.36Å; W428-E432 PolarHBondContact O-N 3.48Å |
| 429 | C | 92.3 | Very high | 85.9 | Confident | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.007 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.7 | -41.6 | 175.9 | -68.8 | 0 | 0 | 0 | 0 | 111.8 | I369 L425 L426 A433 | I369-C429 HydrophobicContact CD1-CB 4.07Å; L425-C429 PolarHBondContact O-N 3.04Å; L425-C429 PolarHBondContact O-SG 2.74Å; L426-C429 PolarHBondContact O-N 3.48Å; C429-A433 VanDerWaalsContact O-CB 3.28Å; C429-A433 WeakPolarHBondContact O-CB 3.28Å; C429-A433 PolarHBondContact O-N 3.22Å |
| 430 | L | 92.3 | Very high | 85.6 | Confident | 4 Ų | 4 | 31.1 Ų | 31.1 | 2% | 0.021 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.7 | -45.7 | 174.8 | 179 | 64.9 | 0 | 0 | 0 | 111.2 | L426 R427 W428 E432 A433 V434 V457 C460 L464 L536 | L426-L430 VanDerWaalsContact O-CB 3.32Å; L426-L430 WeakPolarHBondContact O-CB 3.27Å; L426-L430 PolarHBondContact O-N 2.93Å; R427-L430 PolarHBondContact O-N 2.78Å; W428-L430 VanDerWaalsContact C-N 3.29Å; W428-L430 PolarHBondContact O-N 2.98Å; L430-E432 PolarHBondContact O-N 3.26Å; L430-A433 PolarHBondContact O-N 3.01Å; L430-V434 HydrophobicContact CD1-CG2 4.15Å; L430-V434 HydrophobicContact CG-CG2 4.43Å; L430-V434 WeakPolarHBondContact O-CB 3.42Å; L430-V434 VanDerWaalsContact O-CG2 3.23Å; L430-V434 WeakPolarHBondContact O-CG2 3.27Å; L430-V434 PolarHBondContact O-N 3.33Å; L430-V457 HydrophobicContact CD1-CB 4.28Å; L430-V457 HydrophobicContact CD1-CG1 3.84Å; L430-V457 HydrophobicContact CD1-CG2 4.2Å; L430-C460 HydrophobicContact CB-CB 4.01Å; L430-C460 HydrophobicContact CD1-CB 4.09Å; L430-L464 HydrophobicContact CD2-CD1 4.43Å; L430-L536 HydrophobicContact CD2-CD1 3.71Å |
| 431 | D | 89.6 | Confident | 84.8 | Confident | 47 Ų | 47 | 35.4 Ų | 35.4 | 25% | 0.251 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -64.5 | -41.2 | -178.6 | -78.5 | -17.7 | 0 | 0 | 0 | 112.4 | R427 W428 V434 S435 R539 | R427-D431 IonicContact CZ-OD1 3.67Å; R427-D431 VanDerWaalsContact CZ-OD1 3.27Å; R427-D431 IonicContact CZ-OD2 2.73Å; R427-D431 IonicContact NH1-OD1 2.67Å; R427-D431 PolarHBondContact NH1-OD1 3.39Å; R427-D431 IonicContact NH2-OD1 3.18Å; R427-D431 PolarHBondContact NH2-OD1 2.86Å; R427-D431 IonicContact NH2-OD2 3.99Å; R427-D431 PolarHBondContact NH2-OD2 2.88Å; R427-D431 VanDerWaalsContact NH2-OD2 3.07Å; R427-D431 PolarHBondContact O-N 2.86Å; W428-D431 PolarHBondContact O-N 3.07Å; W428-D431 VanDerWaalsContact O-N 3.12Å; D431-V434 PolarHBondContact O-N 3.22Å; D431-S435 WeakPolarHBondContact O-CB 3.4Å; D431-S435 PolarHBondContact O-N 3.23Å; D431-R539 PolarHBondContact O-NH2 2.88Å; D431-R539 VanDerWaalsContact OD1-CD 3.27Å; D431-R539 WeakPolarHBondContact OD1-CD 3.31Å; D431-R539 VanDerWaalsContact OD1-CG 3.31Å; D431-R539 WeakPolarHBondContact OD1-CG 3.19Å; D431-R539 IonicContact OD1-CZ 3.12Å; D431-R539 IonicContact OD1-NE 3.64Å; D431-R539 PolarHBondContact OD1-NE 3.35Å |
| 432 | E | 89.8 | Confident | 83.3 | Confident | 60 Ų | 60 | 38.1 Ų | 38.1 | 28% | 0.28 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -66.5 | -42.8 | 175.5 | -160.7 | -164.9 | 147.9 | 0 | 0 | 111.8 | R365 W428 L430 V434 S435 T436 | R365-E432 IonicContact CZ-OE1 2.87Å; R365-E432 IonicContact CZ-OE2 3.13Å; R365-E432 IonicContact NH1-OE1 3.43Å; R365-E432 PolarHBondContact NH1-OE1 2.84Å; R365-E432 IonicContact NH1-OE2 3.4Å; R365-E432 PolarHBondContact NH1-OE2 2.86Å; R365-E432 VanDerWaalsContact NH1-OE2 3.12Å; R365-E432 IonicContact NH2-OE1 2.72Å; R365-E432 IonicContact NH2-OE2 3.21Å; R365-E432 PolarHBondContact NH2-OE2 3.43Å; W428-E432 WeakPolarHBondContact CH2-OE2 3.27Å; W428-E432 WeakPolarHBondContact CZ2-OE2 3.39Å; W428-E432 WeakPolarHBondContact CZ3-OE2 3.36Å; W428-E432 PolarHBondContact O-N 3.48Å; L430-E432 PolarHBondContact O-N 3.26Å; E432-V434 PolarHBondContact O-N 3.07Å; E432-S435 PolarHBondContact O-N 3.33Å; E432-T436 WeakPolarHBondContact O-CG2 3.37Å; E432-T436 PolarHBondContact O-N 3.19Å; E432-T436 PolarHBondContact O-OG1 2.87Å; E432-T436 VanDerWaalsContact O-OG1 3.12Å |
| 433 | A | 88.7 | Confident | 81.1 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.4 | -40.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | C429 L430 T436 L437 L456 V457 | C429-A433 VanDerWaalsContact O-CB 3.28Å; C429-A433 WeakPolarHBondContact O-CB 3.28Å; C429-A433 PolarHBondContact O-N 3.22Å; L430-A433 PolarHBondContact O-N 3.01Å; A433-T436 WeakPolarHBondContact CA-OG1 3.5Å; A433-T436 PolarHBondContact O-OG1 2.9Å; A433-L437 WeakPolarHBondContact O-CG 3.45Å; A433-L437 PolarHBondContact O-N 2.92Å; A433-L437 VanDerWaalsContact O-N 3.07Å; A433-L456 HydrophobicContact CB-CB 3.89Å; A433-V457 HydrophobicContact CB-CG2 3.6Å |
| 434 | V | 87.2 | Confident | 78.7 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.006 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.4 | -40.2 | 174 | 174.2 | 0 | 0 | 0 | 0 | 111.1 | L430 D431 E432 L437 T438 V457 L543 | L430-V434 HydrophobicContact CD1-CG2 4.15Å; L430-V434 HydrophobicContact CG-CG2 4.43Å; L430-V434 WeakPolarHBondContact O-CB 3.42Å; L430-V434 VanDerWaalsContact O-CG2 3.23Å; L430-V434 WeakPolarHBondContact O-CG2 3.27Å; L430-V434 PolarHBondContact O-N 3.33Å; D431-V434 PolarHBondContact O-N 3.22Å; E432-V434 PolarHBondContact O-N 3.07Å; V434-L437 PolarHBondContact O-N 3.22Å; V434-T438 WeakPolarHBondContact O-CG2 3.48Å; V434-T438 PolarHBondContact O-N 2.64Å; V434-T438 PolarHBondContact O-OG1 3.34Å; V434-V457 HydrophobicContact CG2-CG2 3.94Å; V434-L543 HydrophobicContact CG2-CD1 4.23Å |
| 435 | S | 86 | Confident | 76.2 | Confident | 64 Ų | 64 | 47.2 Ų | 47.2 | 45% | 0.448 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.1 | -47.4 | 178 | -168.9 | 0 | 0 | 0 | 0 | 111.6 | D431 E432 L437 T438 S439 | D431-S435 WeakPolarHBondContact O-CB 3.4Å; D431-S435 PolarHBondContact O-N 3.23Å; E432-S435 PolarHBondContact O-N 3.33Å; S435-L437 VanDerWaalsContact C-N 3.35Å; S435-L437 PolarHBondContact O-N 2.86Å; S435-T438 WeakPolarHBondContact CA-OG1 3.33Å; S435-T438 PolarHBondContact O-N 2.93Å; S435-T438 VanDerWaalsContact O-N 3.16Å; S435-T438 PolarHBondContact O-OG1 2.82Å; S435-S439 PolarHBondContact O-N 3.3Å; S435-S439 PolarHBondContact O-OG 2.82Å |
| 436 | T | 83.1 | Confident | 73.5 | Confident | 52 Ų | 52 | 51.1 Ų | 51.1 | 32% | 0.319 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.2 | -40.8 | 177.6 | 53.4 | 0 | 0 | 0 | 0 | 111.8 | E432 A433 T438 S439 T440 S453 | E432-T436 WeakPolarHBondContact O-CG2 3.37Å; E432-T436 PolarHBondContact O-N 3.19Å; E432-T436 PolarHBondContact O-OG1 2.87Å; E432-T436 VanDerWaalsContact O-OG1 3.12Å; A433-T436 WeakPolarHBondContact CA-OG1 3.5Å; A433-T436 PolarHBondContact O-OG1 2.9Å; T436-T438 PolarHBondContact O-N 3.04Å; T436-S439 WeakPolarHBondContact CA-OG 3.13Å; T436-S439 PolarHBondContact O-N 2.88Å; T436-S439 PolarHBondContact O-OG 3.37Å; T436-T440 WeakPolarHBondContact O-CG2 3.44Å; T436-T440 PolarHBondContact O-N 3.47Å; T436-T440 PolarHBondContact O-OG1 3.23Å; T436-S453 WeakPolarHBondContact OG1-CB 3.48Å |
| 437 | L | 79.3 | Confident | 71.1 | Confident | 4 Ų | 4 | 62.6 Ų | 62.6 | 2% | 0.021 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -59.2 | -43.8 | 171.8 | -78.7 | 166.2 | 0 | 0 | 0 | 113.1 | A433 V434 S435 S439 T440 N441 G450 S453 L454 V457 L543 V553 | A433-L437 WeakPolarHBondContact O-CG 3.45Å; A433-L437 PolarHBondContact O-N 2.92Å; A433-L437 VanDerWaalsContact O-N 3.07Å; V434-L437 PolarHBondContact O-N 3.22Å; S435-L437 VanDerWaalsContact C-N 3.35Å; S435-L437 PolarHBondContact O-N 2.86Å; L437-S439 VanDerWaalsContact C-N 3.3Å; L437-S439 PolarHBondContact O-N 3.26Å; L437-T440 PolarHBondContact O-N 3.28Å; L437-T440 PolarHBondContact O-OG1 3.16Å; L437-T440 VanDerWaalsContact O-OG1 3.09Å; L437-N441 PolarHBondContact O-N 3.49Å; L437-G450 WeakPolarHBondContact CD2-O 3.4Å; L437-S453 WeakPolarHBondContact CD2-OG 3.32Å; L437-S453 VanDerWaalsContact CG-OG 3.29Å; L437-S453 WeakPolarHBondContact CG-OG 3.34Å; L437-L454 HydrophobicContact CD2-CB 4.18Å; L437-V457 HydrophobicContact CD1-CB 4.46Å; L437-V457 HydrophobicContact CD1-CG2 3.59Å; L437-L543 HydrophobicContact CD1-CD1 4.46Å; L437-V553 HydrophobicContact CD1-CG2 4.44Å |
| 438 | T | 78.6 | Confident | 68.8 | Low | 30 Ų | 30 | 68 Ų | 68 | 18% | 0.184 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -65.3 | -35 | 179 | 54.2 | 0 | 0 | 0 | 0 | 112.4 | V434 S435 T436 S442 A551 | V434-T438 WeakPolarHBondContact O-CG2 3.48Å; V434-T438 PolarHBondContact O-N 2.64Å; V434-T438 PolarHBondContact O-OG1 3.34Å; S435-T438 WeakPolarHBondContact CA-OG1 3.33Å; S435-T438 PolarHBondContact O-N 2.93Å; S435-T438 VanDerWaalsContact O-N 3.16Å; S435-T438 PolarHBondContact O-OG1 2.82Å; T436-T438 PolarHBondContact O-N 3.04Å; T438-S442 PolarHBondContact O-N 3.11Å; T438-A551 HydrophobicContact CG2-CB 3.78Å |
| 439 | S | 74.1 | Confident | 66.6 | Low | 65 Ų | 65 | 64.4 Ų | 64.4 | 46% | 0.455 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -73.5 | -30.9 | 176.3 | 56.8 | 0 | 0 | 0 | 0 | 113.8 | S435 T436 L437 S442 | S435-S439 PolarHBondContact O-N 3.3Å; S435-S439 PolarHBondContact O-OG 2.82Å; T436-S439 WeakPolarHBondContact CA-OG 3.13Å; T436-S439 PolarHBondContact O-N 2.88Å; T436-S439 PolarHBondContact O-OG 3.37Å; L437-S439 VanDerWaalsContact C-N 3.3Å; L437-S439 PolarHBondContact O-N 3.26Å; S439-S442 PolarHBondContact O-OG 2.96Å |
| 440 | T | 64.3 | Low | 64.8 | Low | 44 Ų | 44 | 64.9 Ų | 64.9 | 27% | 0.27 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -80.3 | -35 | 178.6 | 53.7 | 0 | 0 | 0 | 0 | 111.9 | T436 L437 S442 V443 | T436-T440 WeakPolarHBondContact O-CG2 3.44Å; T436-T440 PolarHBondContact O-N 3.47Å; T436-T440 PolarHBondContact O-OG1 3.23Å; L437-T440 PolarHBondContact O-N 3.28Å; L437-T440 PolarHBondContact O-OG1 3.16Å; L437-T440 VanDerWaalsContact O-OG1 3.09Å; T440-S442 VanDerWaalsContact C-N 3.31Å; T440-S442 PolarHBondContact O-N 3.44Å; T440-V443 PolarHBondContact O-N 3.3Å; T440-V443 VanDerWaalsContact O-O 3.11Å |
| 441 | N | 59.4 | Low | 63.6 | Low | 90 Ų | 90 | 66.4 Ų | 66.4 | 48% | 0.481 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -70.9 | -23.1 | 175.5 | -82.9 | -5.2 | 0 | 0 | 0 | 113.6 | L437 V443 A551 | L437-N441 PolarHBondContact O-N 3.49Å; N441-V443 VanDerWaalsContact C-N 3.32Å; N441-A551 PolarHBondContact ND2-O 3.44Å |
| 442 | S | 50.5 | Low | 62.8 | Low | 89 Ų | 89 | 66.4 Ų | 66.4 | 62% | 0.622 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -74.7 | -22 | 175 | 67.1 | 0 | 0 | 0 | 0 | 113.2 | T438 S439 T440 | T438-S442 PolarHBondContact O-N 3.11Å; S439-S442 PolarHBondContact O-OG 2.96Å; T440-S442 VanDerWaalsContact C-N 3.31Å; T440-S442 PolarHBondContact O-N 3.44Å |
| 443 | V | 43.3 | Very low | 62.4 | Low | 108 Ų | 108 | 64 Ų | 64 | 66% | 0.655 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -100.4 | 89.9 | 176.3 | -173.1 | 0 | 0 | 0 | 0 | 108 | T440 N441 G445 | T440-V443 PolarHBondContact O-N 3.3Å; T440-V443 VanDerWaalsContact O-O 3.11Å; N441-V443 VanDerWaalsContact C-N 3.32Å; V443-G445 PolarHBondContact O-N 3.34Å |
| 444 | G | 40.4 | Very low | 62.2 | Low | 90 Ų | 90 | 66.1 Ų | 66.1 | 93% | 0.928 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | 55.7 | -166.7 | 0 | 0 | 0 | 0 | 0 | 118 | ||
| 445 | G | 35.4 | Very low | 62.1 | Low | 68 Ų | 68 | 67 Ų | 67 | 70% | 0.701 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -145.8 | -10.5 | -171.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | V443 | V443-G445 PolarHBondContact O-N 3.34Š|
| 446 | N | 35 | Very low | 62.3 | Low | 105 Ų | 105 | 64.2 Ų | 64.2 | 56% | 0.561 | 41% | 0.411 | S | S | * | . | trans | -144.4 | 87.7 | -176.1 | -140.6 | 9.6 | 0 | 0 | 0 | 113.3 | D448 A449 | N446-D448 PolarHBondContact O-N 3.49Å; N446-A449 HydrophobicContact CB-CB 4.26Å; N446-A449 PolarHBondContact O-N 2.97Å | ||
| 447 | R | 41.9 | Very low | 62.7 | Low | 243 Ų | 243 | 61.8 Ų | 61.8 | 92% | 0.917 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -27.1 | 176.8 | -68.5 | -172.6 | -172.1 | -160.8 | 2.3 | 112.4 | G450 | R447-G450 PolarHBondContact O-N 3.45Š|
| 448 | D | 43.7 | Very low | 63.2 | Low | 140 Ų | 140 | 62.1 Ų | 62.1 | 75% | 0.749 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -35.3 | -177.3 | -61.1 | -16.5 | 0 | 0 | 0 | 112.4 | N446 G450 G451 | N446-D448 PolarHBondContact O-N 3.49Å; D448-G450 VanDerWaalsContact C-N 3.27Å; D448-G450 PolarHBondContact O-N 2.65Å; D448-G451 PolarHBondContact O-N 3.16Å; D448-G451 VanDerWaalsContact O-N 3.1Å |
| 449 | A | 44.7 | Very low | 63.9 | Low | 48 Ų | 48 | 62.2 Ų | 62.2 | 40% | 0.397 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -66.8 | -28 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | N446 G451 | N446-A449 HydrophobicContact CB-CB 4.26Å; N446-A449 PolarHBondContact O-N 2.97Å; A449-G451 VanDerWaalsContact C-N 3.3Å |
| 450 | G | 53.9 | Low | 64.8 | Low | 10 Ų | 10 | 59.1 Ų | 59.1 | 10% | 0.103 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -73.1 | -18 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | L437 R447 D448 A452 S453 L454 | L437-G450 WeakPolarHBondContact CD2-O 3.4Å; R447-G450 PolarHBondContact O-N 3.45Å; D448-G450 VanDerWaalsContact C-N 3.27Å; D448-G450 PolarHBondContact O-N 2.65Å; G450-A452 PolarHBondContact O-N 3.09Å; G450-S453 PolarHBondContact O-N 3.49Å; G450-S453 PolarHBondContact O-OG 2.95Å; G450-L454 VanDerWaalsContact O-CB 3.24Å; G450-L454 WeakPolarHBondContact O-CB 3.32Å; G450-L454 PolarHBondContact O-N 3.42Å |
| 451 | G | 67.4 | Low | 66.2 | Low | 37 Ų | 37 | 57.2 Ų | 57.2 | 38% | 0.381 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -66.8 | -35.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | R366 D448 A449 A455 | R366-G451 PolarHBondContact NH2-O 2.85Å; R366-G451 VanDerWaalsContact NH2-O 3.14Å; D448-G451 PolarHBondContact O-N 3.16Å; D448-G451 VanDerWaalsContact O-N 3.1Å; A449-G451 VanDerWaalsContact C-N 3.3Å; G451-A455 PolarHBondContact O-N 3.43Å |
| 452 | A | 72.8 | Confident | 67.8 | Low | 46 Ų | 46 | 53.5 Ų | 53.5 | 38% | 0.38 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -67.3 | -46.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | R366 G450 L456 | R366-A452 PolarHBondContact NH2-O 2.85Å; G450-A452 PolarHBondContact O-N 3.09Å; A452-L456 PolarHBondContact O-N 3.44Å |
| 453 | S | 81.1 | Confident | 69.9 | Low | 10 Ų | 10 | 49.2 Ų | 49.2 | 7% | 0.07 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -74.8 | -33.9 | 179.6 | 50.5 | 0 | 0 | 0 | 0 | 112.6 | T436 L437 G450 A455 L456 V457 | T436-S453 WeakPolarHBondContact OG1-CB 3.48Å; L437-S453 WeakPolarHBondContact CD2-OG 3.32Å; L437-S453 VanDerWaalsContact CG-OG 3.29Å; L437-S453 WeakPolarHBondContact CG-OG 3.34Å; G450-S453 PolarHBondContact O-N 3.49Å; G450-S453 PolarHBondContact O-OG 2.95Å; S453-A455 PolarHBondContact O-N 3.22Å; S453-L456 WeakPolarHBondContact O-CB 3.36Å; S453-L456 PolarHBondContact O-N 3.12Å; S453-V457 PolarHBondContact O-N 3.38Å |
| 454 | L | 84.2 | Confident | 72.3 | Confident | 44 Ų | 44 | 44.1 Ų | 44.1 | 23% | 0.23 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -56.9 | -49.4 | 173 | 176 | 55.4 | 0 | 0 | 0 | 111.5 | L437 G450 L456 V457 I458 V553 | L437-L454 HydrophobicContact CD2-CB 4.18Å; G450-L454 VanDerWaalsContact O-CB 3.24Å; G450-L454 WeakPolarHBondContact O-CB 3.32Å; G450-L454 PolarHBondContact O-N 3.42Å; L454-L456 VanDerWaalsContact C-N 3.35Å; L454-V457 WeakPolarHBondContact O-CB 3.43Å; L454-V457 PolarHBondContact O-N 3.4Å; L454-I458 HydrophobicContact CD1-CD1 4.25Å; L454-I458 HydrophobicContact CG-CD1 4.04Å; L454-I458 WeakPolarHBondContact O-CG1 3.17Å; L454-I458 PolarHBondContact O-N 3.5Å; L454-V553 HydrophobicContact CD1-CG1 3.26Å |
| 455 | A | 85.9 | Confident | 74.7 | Confident | 20 Ų | 20 | 39.9 Ų | 39.9 | 17% | 0.165 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -81.8 | -11.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | G451 S453 I458 E459 | G451-A455 PolarHBondContact O-N 3.43Å; S453-A455 PolarHBondContact O-N 3.22Å; A455-I458 HydrophobicContact CB-CD1 4.11Å; A455-E459 VanDerWaalsContact O-CG 3.27Å; A455-E459 WeakPolarHBondContact O-CG 3.24Å; A455-E459 PolarHBondContact O-N 3.21Å |
| 456 | L | 89.4 | Confident | 77.3 | Confident | 6 Ų | 6 | 37 Ų | 37 | 3% | 0.031 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.6 | -42.9 | 158.8 | -76.9 | 171.1 | 0 | 0 | 0 | 111.5 | P362 R365 R366 I369 A433 A452 S453 L454 I458 E459 C460 | P362-L456 HydrophobicContact CB-CD1 4.29Å; R365-L456 HydrophobicContact CB-CD2 3.92Å; R366-L456 HydrophobicContact CB-CD2 3.75Å; I369-L456 HydrophobicContact CD1-CD2 4.08Å; A433-L456 HydrophobicContact CB-CB 3.89Å; A452-L456 PolarHBondContact O-N 3.44Å; S453-L456 WeakPolarHBondContact O-CB 3.36Å; S453-L456 PolarHBondContact O-N 3.12Å; L454-L456 VanDerWaalsContact C-N 3.35Å; L456-I458 VanDerWaalsContact C-N 3.32Å; L456-I458 PolarHBondContact O-N 3.32Å; L456-E459 PolarHBondContact O-N 3.29Å; L456-C460 PolarHBondContact O-N 3.44Å; L456-C460 PolarHBondContact O-SG 3.46Å |
| 457 | V | 91.3 | Very high | 79.9 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.9 | -45.2 | 174.5 | 167.9 | 0 | 0 | 0 | 0 | 110.8 | L430 A433 V434 L437 S453 L454 C460 I461 L543 | L430-V457 HydrophobicContact CD1-CB 4.28Å; L430-V457 HydrophobicContact CD1-CG1 3.84Å; L430-V457 HydrophobicContact CD1-CG2 4.2Å; A433-V457 HydrophobicContact CB-CG2 3.6Å; V434-V457 HydrophobicContact CG2-CG2 3.94Å; L437-V457 HydrophobicContact CD1-CB 4.46Å; L437-V457 HydrophobicContact CD1-CG2 3.59Å; S453-V457 PolarHBondContact O-N 3.38Å; L454-V457 WeakPolarHBondContact O-CB 3.43Å; L454-V457 PolarHBondContact O-N 3.4Å; V457-C460 PolarHBondContact O-N 2.87Å; V457-I461 HydrophobicContact CG1-CD1 3.92Å; V457-I461 WeakPolarHBondContact O-CG1 3.49Å; V457-I461 PolarHBondContact O-N 3.19Å; V457-L543 HydrophobicContact CG1-CD1 4.28Å; V457-L543 HydrophobicContact CG1-CD2 3.57Å |
| 458 | I | 90.3 | Very high | 82.1 | Confident | 11 Ų | 11 | 20.8 Ų | 20.8 | 6% | 0.056 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61 | -48.2 | 179.1 | -68.3 | 161.5 | 0 | 0 | 0 | 111.3 | L454 A455 L456 C460 I461 R462 T556 A559 W563 | L454-I458 HydrophobicContact CD1-CD1 4.25Å; L454-I458 HydrophobicContact CG-CD1 4.04Å; L454-I458 WeakPolarHBondContact O-CG1 3.17Å; L454-I458 PolarHBondContact O-N 3.5Å; A455-I458 HydrophobicContact CB-CD1 4.11Å; L456-I458 VanDerWaalsContact C-N 3.32Å; L456-I458 PolarHBondContact O-N 3.32Å; I458-C460 VanDerWaalsContact C-N 3.31Å; I458-C460 PolarHBondContact O-N 3.4Å; I458-I461 PolarHBondContact O-N 3.05Å; I458-R462 PolarHBondContact O-N 3.4Å; I458-T556 HydrophobicContact CD1-CG2 3.47Å; I458-T556 VanDerWaalsContact CD1-CG2 3.47Å; I458-T556 WeakPolarHBondContact CD1-OG1 3.49Å; I458-A559 HydrophobicContact CG1-CB 4.22Å; I458-A559 HydrophobicContact CG2-CB 4.12Å; I458-W563 HydrophobicContact CG2-CE3 4.23Å; I458-W563 HydrophobicContact CG2-CZ3 3.62Å |
| 459 | E | 92.1 | Very high | 84.2 | Confident | 32 Ų | 32 | 14.1 Ų | 14.1 | 15% | 0.15 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62.8 | -37.2 | 177.8 | -70 | -62.4 | 163.8 | 0 | 0 | 112.2 | R366 I369 A455 L456 R462 C463 | R366-E459 HydrophobicContact CG-CG 4.24Å; I369-E459 HydrophobicContact CB-CB 4.31Å; I369-E459 HydrophobicContact CG2-CB 3.7Å; A455-E459 VanDerWaalsContact O-CG 3.27Å; A455-E459 WeakPolarHBondContact O-CG 3.24Å; A455-E459 PolarHBondContact O-N 3.21Å; L456-E459 PolarHBondContact O-N 3.29Å; E459-R462 PolarHBondContact O-N 3.36Å; E459-R462 IonicContact OE2-CZ 3.49Å; E459-R462 VanDerWaalsContact OE2-CZ 3.22Å; E459-R462 IonicContact OE2-NE 2.78Å; E459-R462 PolarHBondContact OE2-NE 3.17Å; E459-R462 IonicContact OE2-NH2 2.76Å; E459-R462 PolarHBondContact OE2-NH2 3.36Å; E459-C463 WeakPolarHBondContact O-CB 3.28Å; E459-C463 PolarHBondContact O-N 2.9Å; E459-C463 PolarHBondContact O-SG 3.4Å |
| 460 | C | 94.5 | Very high | 85.8 | Confident | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63 | -42.9 | 174.2 | -66.9 | 0 | 0 | 0 | 0 | 112.1 | L430 L456 V457 I458 C463 L464 | L430-C460 HydrophobicContact CB-CB 4.01Å; L430-C460 HydrophobicContact CD1-CB 4.09Å; L456-C460 PolarHBondContact O-N 3.44Å; L456-C460 PolarHBondContact O-SG 3.46Å; V457-C460 PolarHBondContact O-N 2.87Å; I458-C460 VanDerWaalsContact C-N 3.31Å; I458-C460 PolarHBondContact O-N 3.4Å; C460-C463 PolarHBondContact O-N 2.74Å; C460-L464 WeakPolarHBondContact O-CB 3.41Å; C460-L464 WeakPolarHBondContact O-CG 3.41Å; C460-L464 PolarHBondContact O-N 2.94Å |
| 461 | I | 93.7 | Very high | 86.6 | Confident | 4 Ų | 4 | 14.8 Ų | 14.8 | 2% | 0.021 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -63.6 | -44.8 | 177 | -67.3 | 168.7 | 0 | 0 | 0 | 110.2 | V457 I458 L464 A465 L543 L555 W563 L564 | V457-I461 HydrophobicContact CG1-CD1 3.92Å; V457-I461 WeakPolarHBondContact O-CG1 3.49Å; V457-I461 PolarHBondContact O-N 3.19Å; I458-I461 PolarHBondContact O-N 3.05Å; I461-L464 PolarHBondContact O-N 3.06Å; I461-A465 WeakPolarHBondContact O-CB 3.23Å; I461-A465 PolarHBondContact O-N 3.29Å; I461-L543 HydrophobicContact CD1-CD2 4.47Å; I461-L555 HydrophobicContact CD1-CD1 4.36Å; I461-L555 HydrophobicContact CD1-CD2 4.26Å; I461-W563 HydrophobicContact CG2-CB 3.88Å; I461-L564 HydrophobicContact CG2-CB 4.21Å |
| 462 | R | 92.4 | Very high | 86.9 | Confident | 12 Ų | 12 | 17.3 Ų | 17.3 | 5% | 0.045 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -58.6 | -48.4 | 176.2 | -174.9 | 175.8 | 73.1 | 89.1 | 4.1 | 111.6 | S370 I458 E459 L464 A465 N466 W563 | S370-R462 VanDerWaalsContact CA-NH2 3.31Å; S370-R462 PolarHBondContact O-NH2 3.11Å; I458-R462 PolarHBondContact O-N 3.4Å; E459-R462 PolarHBondContact O-N 3.36Å; E459-R462 IonicContact OE2-CZ 3.49Å; E459-R462 VanDerWaalsContact OE2-CZ 3.22Å; E459-R462 IonicContact OE2-NE 2.78Å; E459-R462 PolarHBondContact OE2-NE 3.17Å; E459-R462 IonicContact OE2-NH2 2.76Å; E459-R462 PolarHBondContact OE2-NH2 3.36Å; R462-L464 PolarHBondContact O-N 2.91Å; R462-A465 PolarHBondContact O-N 2.9Å; R462-N466 WeakPolarHBondContact O-CB 3.47Å; R462-N466 VanDerWaalsContact O-CG 3.29Å; R462-N466 PolarHBondContact O-N 3.16Å; R462-N466 PolarHBondContact O-ND2 3.03Å; R462-W563 HydrophobicContact CB-CD2 3.76Å; R462-W563 HydrophobicContact CB-CE3 3.83Å; R462-W563 HydrophobicContact CB-CG 4.22Å; R462-W563 HydrophobicContact CB-CH2 4.48Å; R462-W563 HydrophobicContact CB-CZ2 4.37Å; R462-W563 HydrophobicContact CB-CZ3 4.22Å; R462-W563 HydrophobicContact CG-CD2 3.82Å; R462-W563 HydrophobicContact CG-CE3 4.26Å; R462-W563 HydrophobicContact CG-CG 4.27Å; R462-W563 HydrophobicContact CG-CH2 4.27Å; R462-W563 HydrophobicContact CG-CZ2 3.78Å; R462-W563 HydrophobicContact CG-CZ3 4.48Å |
| 463 | C | 93.8 | Very high | 87 | Confident | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -60.9 | -45.3 | 177.4 | -73.3 | 0 | 0 | 0 | 0 | 112.8 | I369 G373 L426 E459 C460 N466 L467 | I369-C463 HydrophobicContact CG2-CB 4.43Å; I369-C463 VanDerWaalsContact CG2-SG 3.53Å; I369-C463 PolarHBondContact O-SG 2.97Å; G373-C463 WeakPolarHBondContact CA-SG 3.35Å; G373-C463 PolarHBondContact N-SG 3.37Å; L426-C463 HydrophobicContact CD1-CB 3.79Å; L426-C463 HydrophobicContact CD2-CB 3.69Å; L426-C463 HydrophobicContact CG-CB 4.42Å; E459-C463 WeakPolarHBondContact O-CB 3.28Å; E459-C463 PolarHBondContact O-N 2.9Å; E459-C463 PolarHBondContact O-SG 3.4Å; C460-C463 PolarHBondContact O-N 2.74Å; C463-N466 PolarHBondContact O-N 2.86Å; C463-L467 VanDerWaalsContact O-CB 3.24Å; C463-L467 WeakPolarHBondContact O-CB 3.42Å; C463-L467 PolarHBondContact O-N 3.25Å |
| 464 | L | 94.5 | Very high | 86.8 | Confident | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.005 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -63.3 | -42.1 | 177.5 | -73.1 | 171.4 | 0 | 0 | 0 | 111.8 | L423 L426 L430 C460 I461 R462 L467 I468 L530 L536 L567 | L423-L464 HydrophobicContact CD2-CD2 4.25Å; L426-L464 HydrophobicContact CB-CD2 3.85Å; L426-L464 HydrophobicContact CB-CG 4.17Å; L426-L464 HydrophobicContact CD1-CD2 3.88Å; L426-L464 HydrophobicContact CD1-CG 4.21Å; L430-L464 HydrophobicContact CD2-CD1 4.43Å; C460-L464 WeakPolarHBondContact O-CB 3.41Å; C460-L464 WeakPolarHBondContact O-CG 3.41Å; C460-L464 PolarHBondContact O-N 2.94Å; I461-L464 PolarHBondContact O-N 3.06Å; R462-L464 PolarHBondContact O-N 2.91Å; L464-L467 PolarHBondContact O-N 3.32Å; L464-I468 PolarHBondContact O-N 3.44Å; L464-L530 HydrophobicContact CD2-CD1 4.07Å; L464-L530 HydrophobicContact CD2-CD2 4.26Å; L464-L536 HydrophobicContact CD1-CD1 4.31Å; L464-L536 HydrophobicContact CD1-CD2 4.4Å; L464-L567 HydrophobicContact CB-CD1 4.26Å; L464-L567 HydrophobicContact CB-CD2 4.09Å |
| 465 | A | 91.4 | Very high | 86.3 | Confident | 1 Ų | 1 | 15.2 Ų | 15.2 | 1% | 0.008 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -61.3 | -51 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | I461 R462 L467 I468 C469 W563 L567 | I461-A465 WeakPolarHBondContact O-CB 3.23Å; I461-A465 PolarHBondContact O-N 3.29Å; R462-A465 PolarHBondContact O-N 2.9Å; A465-L467 PolarHBondContact O-N 2.82Å; A465-I468 PolarHBondContact O-N 3.02Å; A465-C469 WeakPolarHBondContact O-CA 3.31Å; A465-C469 WeakPolarHBondContact O-CB 3.12Å; A465-C469 PolarHBondContact O-N 2.92Å; A465-C469 PolarHBondContact O-SG 3.21Å; A465-W563 HydrophobicContact CB-CB 3.87Å; A465-W563 HydrophobicContact CB-CG 4.42Å; A465-L567 HydrophobicContact CB-CB 4.42Å |
| 466 | N | 88.8 | Confident | 85.7 | Confident | 8 Ų | 8 | 15.9 Ų | 15.9 | 4% | 0.043 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -66.2 | -25.5 | -179.7 | -69.1 | -19 | 0 | 0 | 0 | 113 | L376 V377 R380 R462 C463 | L376-N466 HydrophobicContact CB-CB 3.97Å; L376-N466 HydrophobicContact CD1-CB 4.43Å; V377-N466 HydrophobicContact CG2-CB 4.42Å; V377-N466 WeakPolarHBondContact CG2-ND2 3.2Å; R380-N466 VanDerWaalsContact CZ-O 3.24Å; R380-N466 PolarHBondContact NE-O 3.42Å; R380-N466 PolarHBondContact NH2-O 3.43Å; R462-N466 WeakPolarHBondContact O-CB 3.47Å; R462-N466 VanDerWaalsContact O-CG 3.29Å; R462-N466 PolarHBondContact O-N 3.16Å; R462-N466 PolarHBondContact O-ND2 3.03Å; C463-N466 PolarHBondContact O-N 2.86Å |
| 467 | L | 90.4 | Very high | 85 | Confident | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -72.5 | -36.4 | 177.6 | -175.1 | 63.1 | 0 | 0 | 0 | 112.6 | L376 R380 I397 L401 I422 L423 L426 C463 L464 A465 | L376-L467 HydrophobicContact CD1-CB 4.06Å; L376-L467 HydrophobicContact CD1-CD1 4.32Å; L376-L467 HydrophobicContact CD2-CD1 3.89Å; R380-L467 VanDerWaalsContact NH2-C 3.26Å; R380-L467 PolarHBondContact NH2-O 2.96Å; I397-L467 HydrophobicContact CG2-CD1 4.33Å; L401-L467 HydrophobicContact CD1-CD1 4.33Å; L401-L467 HydrophobicContact CD1-CG 4.48Å; L401-L467 HydrophobicContact CD2-CD1 4.37Å; L401-L467 HydrophobicContact CD2-CD2 4.26Å; L401-L467 HydrophobicContact CD2-CG 4.4Å; L401-L467 HydrophobicContact CG-CD1 4.27Å; I422-L467 HydrophobicContact CG2-CD1 4.37Å; I422-L467 HydrophobicContact CG2-CD2 3.72Å; L423-L467 HydrophobicContact CD2-CD2 3.42Å; L423-L467 VanDerWaalsContact CD2-CD2 3.42Å; L423-L467 HydrophobicContact CG-CD2 4.17Å; L426-L467 HydrophobicContact CD1-CD2 4.36Å; C463-L467 VanDerWaalsContact O-CB 3.24Å; C463-L467 WeakPolarHBondContact O-CB 3.42Å; C463-L467 PolarHBondContact O-N 3.25Å; L464-L467 PolarHBondContact O-N 3.32Å; A465-L467 PolarHBondContact O-N 2.82Å |
| 468 | I | 89.1 | Confident | 84.2 | Confident | 6 Ų | 6 | 15.9 Ų | 15.9 | 3% | 0.031 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -116.1 | -29 | -168.3 | -58.8 | -180 | 0 | 0 | 0 | 113.2 | L423 L464 A465 P526 V527 L530 R570 L953 | L423-I468 HydrophobicContact CD2-CD1 4.08Å; L464-I468 PolarHBondContact O-N 3.44Å; A465-I468 PolarHBondContact O-N 3.02Å; I468-P526 HydrophobicContact CD1-CB 4.46Å; I468-V527 HydrophobicContact CG2-CG2 3.54Å; I468-L530 HydrophobicContact CD1-CD1 3.14Å; I468-L530 HydrophobicContact CD1-CG 4.12Å; I468-R570 HydrophobicContact CG2-CG 3.76Å; I468-L953 HydrophobicContact CG2-CD2 3.94Å |
| 469 | C | 86.3 | Confident | 83.1 | Confident | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.085 | C | C | . | . | trans | -96.8 | 132.7 | -177.3 | -49.4 | 0 | 0 | 0 | 0 | 110.4 | R380 A465 S566 R570 | R380-C469 PolarHBondContact NE-O 2.9Å; R380-C469 PolarHBondContact NH2-O 3.35Å; A465-C469 WeakPolarHBondContact O-CA 3.31Å; A465-C469 WeakPolarHBondContact O-CB 3.12Å; A465-C469 PolarHBondContact O-N 2.92Å; A465-C469 PolarHBondContact O-SG 3.21Å; C469-S566 PolarHBondContact SG-O 3.26Å; C469-R570 VanDerWaalsContact SG-CB 3.58Å | ||
| 470 | D | 78 | Confident | 81.6 | Confident | 45 Ų | 45 | 16.4 Ų | 16.4 | 24% | 0.241 | 8% | 0.081 | C | C | . | . | trans | -96.4 | 101.5 | 163.1 | 176.4 | -5.1 | 0 | 0 | 0 | 107.8 | Q472 S473 E474 | D470-Q472 VanDerWaalsContact C-N 3.32Å; D470-Q472 PolarHBondContact O-N 3.29Å; D470-Q472 PolarHBondContact OD1-N 2.94Å; D470-S473 VanDerWaalsContact CG-CB 3.45Å; D470-S473 VanDerWaalsContact CG-OG 3.23Å; D470-S473 PolarHBondContact O-N 3.06Å; D470-S473 PolarHBondContact OD1-N 3.14Å; D470-S473 VanDerWaalsContact OD2-CB 3.22Å; D470-S473 WeakPolarHBondContact OD2-CB 3.43Å; D470-S473 PolarHBondContact OD2-OG 3.25Å; D470-E474 WeakPolarHBondContact O-CB 3.26Å; D470-E474 VanDerWaalsContact O-CG 3.25Å; D470-E474 WeakPolarHBondContact O-CG 3.44Å; D470-E474 PolarHBondContact O-N 3.34Å | ||
| 471 | T | 72.1 | Confident | 79.6 | Confident | 28 Ų | 28 | 17.6 Ų | 17.6 | 17% | 0.172 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -60.2 | -40.8 | -173 | 52.1 | 0 | 0 | 0 | 0 | 112.1 | E474 L475 | T471-E474 PolarHBondContact O-N 2.94Å; T471-L475 WeakPolarHBondContact O-CB 3.28Å; T471-L475 WeakPolarHBondContact O-CG 3.36Å; T471-L475 PolarHBondContact O-N 3.41Å |
| 472 | Q | 72.6 | Confident | 77.8 | Confident | 90 Ų | 90 | 17.7 Ų | 17.7 | 42% | 0.421 | 9% | 0.086 | S | C | . | . | H | α-helix | trans | -65.8 | -44 | 179.1 | -175.6 | 175.6 | -13.4 | 0 | 0 | 111 | D470 L475 F476 | D470-Q472 VanDerWaalsContact C-N 3.32Å; D470-Q472 PolarHBondContact O-N 3.29Å; D470-Q472 PolarHBondContact OD1-N 2.94Å; Q472-L475 PolarHBondContact O-N 3.15Å; Q472-F476 PolarHBondContact O-N 3.37Å |
| 473 | S | 75.3 | Confident | 76.3 | Confident | 1 Ų | 1 | 17.2 Ų | 17.2 | 1% | 0.007 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -68.7 | -39.5 | 177.7 | -67.3 | 0 | 0 | 0 | 0 | 113.1 | D470 L475 F476 L477 T958 | D470-S473 VanDerWaalsContact CG-CB 3.45Å; D470-S473 VanDerWaalsContact CG-OG 3.23Å; D470-S473 PolarHBondContact O-N 3.06Å; D470-S473 PolarHBondContact OD1-N 3.14Å; D470-S473 VanDerWaalsContact OD2-CB 3.22Å; D470-S473 WeakPolarHBondContact OD2-CB 3.43Å; D470-S473 PolarHBondContact OD2-OG 3.25Å; S473-L475 VanDerWaalsContact C-N 3.33Å; S473-L475 PolarHBondContact O-N 2.94Å; S473-F476 PolarHBondContact O-N 2.69Å; S473-L477 WeakPolarHBondContact O-CB 3.47Å; S473-L477 PolarHBondContact O-N 3.01Å; S473-T958 PolarHBondContact OG-OG1 3.46Å |
| 474 | E | 77.3 | Confident | 74.4 | Confident | 5 Ų | 5 | 17.4 Ų | 17.4 | 2% | 0.023 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -66.5 | -35.4 | 176.6 | -72.3 | -73.7 | -177.4 | 0 | 0 | 111.9 | D470 T471 N478 R570 R573 R631 Y956 | D470-E474 WeakPolarHBondContact O-CB 3.26Å; D470-E474 VanDerWaalsContact O-CG 3.25Å; D470-E474 WeakPolarHBondContact O-CG 3.44Å; D470-E474 PolarHBondContact O-N 3.34Å; T471-E474 PolarHBondContact O-N 2.94Å; E474-N478 PolarHBondContact O-N 3.34Å; E474-N478 VanDerWaalsContact O-N 3.12Å; E474-R570 WeakPolarHBondContact OE1-CD 3.45Å; E474-R573 PolarHBondContact O-NH1 2.9Å; E474-R573 IonicContact OE2-CZ 2.93Å; E474-R573 IonicContact OE2-NE 3.23Å; E474-R573 IonicContact OE2-NH1 3.71Å; E474-R573 PolarHBondContact OE2-NH1 3.45Å; E474-R631 PolarHBondContact O-NH2 3.42Å; E474-Y956 PolarHBondContact OE1-OH 3.03Å |
| 475 | L | 72.6 | Confident | 72.4 | Confident | 50 Ų | 50 | 17.3 Ų | 17.3 | 26% | 0.262 | 9% | 0.086 | S | C | . | . | H | α-helix | trans | -67.1 | -48.5 | 171.6 | -74.7 | 169 | 0 | 0 | 0 | 110.9 | T471 Q472 S473 L477 N478 Y479 | T471-L475 WeakPolarHBondContact O-CB 3.28Å; T471-L475 WeakPolarHBondContact O-CG 3.36Å; T471-L475 PolarHBondContact O-N 3.41Å; Q472-L475 PolarHBondContact O-N 3.15Å; S473-L475 VanDerWaalsContact C-N 3.33Å; S473-L475 PolarHBondContact O-N 2.94Å; L475-L477 VanDerWaalsContact C-N 3.31Å; L475-L477 PolarHBondContact O-N 3.48Å; L475-N478 WeakPolarHBondContact O-CA 3.5Å; L475-N478 WeakPolarHBondContact O-CB 3.36Å; L475-N478 PolarHBondContact O-N 3.26Å; L475-Y479 HydrophobicContact CD2-CE2 4.14Å; L475-Y479 WeakPolarHBondContact O-CD2 3.04Å; L475-Y479 PolarHBondContact O-N 3.12Å; L475-Y479 VanDerWaalsContact O-N 3.14Å |
| 476 | F | 73.5 | Confident | 70.8 | Confident | 34 Ų | 34 | 18.4 Ų | 18.4 | 15% | 0.149 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -55.3 | -47.9 | 175.8 | 173.3 | -100.5 | 0 | 0 | 0 | 111.6 | Q472 S473 N478 Y479 A480 T958 R1013 L1094 L1095 | Q472-F476 PolarHBondContact O-N 3.37Å; S473-F476 PolarHBondContact O-N 2.69Å; F476-N478 PolarHBondContact O-N 3.45Å; F476-Y479 PolarHBondContact O-N 3.48Å; F476-A480 HydrophobicContact CD1-CB 4.39Å; F476-A480 HydrophobicContact CD2-CB 4.26Å; F476-A480 HydrophobicContact CE1-CB 3.95Å; F476-A480 HydrophobicContact CE2-CB 3.76Å; F476-A480 HydrophobicContact CZ-CB 3.61Å; F476-A480 VanDerWaalsContact O-CB 3.3Å; F476-A480 WeakPolarHBondContact O-CB 3.35Å; F476-A480 PolarHBondContact O-N 3.35Å; F476-T958 HydrophobicContact CB-CG2 3.97Å; F476-T958 HydrophobicContact CD1-CG2 3.38Å; F476-T958 HydrophobicContact CE1-CG2 4.09Å; F476-T958 HydrophobicContact CG-CG2 3.81Å; F476-R1013 HydrophobicContact CE2-CG 3.93Å; F476-L1094 HydrophobicContact CD1-CD2 4.49Å; F476-L1094 HydrophobicContact CE1-CD2 4.44Å; F476-L1095 HydrophobicContact CE1-CD2 4.19Å; F476-L1095 HydrophobicContact CZ-CD2 4.16Å |
| 477 | L | 74.4 | Confident | 69.3 | Low | 4 Ų | 4 | 20.1 Ų | 20.1 | 2% | 0.021 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -64.7 | -23.7 | 177.9 | -179.4 | 59.2 | 0 | 0 | 0 | 112.6 | S473 L475 Y481 I495 R573 Y956 L1094 | S473-L477 WeakPolarHBondContact O-CB 3.47Å; S473-L477 PolarHBondContact O-N 3.01Å; L475-L477 VanDerWaalsContact C-N 3.31Å; L475-L477 PolarHBondContact O-N 3.48Å; L477-Y481 HydrophobicContact CD1-CD2 3.72Å; L477-Y481 HydrophobicContact CD1-CE2 4.2Å; L477-Y481 HydrophobicContact CD1-CG 4.32Å; L477-Y481 WeakPolarHBondContact O-CB 3.26Å; L477-I495 HydrophobicContact CD2-CD1 3.29Å; L477-R573 VanDerWaalsContact CG-CZ 3.46Å; L477-Y956 HydrophobicContact CD2-CD1 4.47Å; L477-Y956 HydrophobicContact CD2-CE1 3.92Å; L477-L1094 HydrophobicContact CB-CD2 4.3Å; L477-L1094 HydrophobicContact CD1-CD1 3.8Å; L477-L1094 HydrophobicContact CD1-CD2 3.74Å; L477-L1094 HydrophobicContact CD1-CG 4.42Å; L477-L1094 HydrophobicContact CG-CD2 4.38Å |
| 478 | N | 76.1 | Confident | 67.5 | Low | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.005 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -67.9 | -47.6 | 169.6 | -156 | 55.8 | 0 | 0 | 0 | 111.7 | E474 L475 F476 E482 R631 R634 R700 | E474-N478 PolarHBondContact O-N 3.34Å; E474-N478 VanDerWaalsContact O-N 3.12Å; L475-N478 WeakPolarHBondContact O-CA 3.5Å; L475-N478 WeakPolarHBondContact O-CB 3.36Å; L475-N478 PolarHBondContact O-N 3.26Å; F476-N478 PolarHBondContact O-N 3.45Å; N478-E482 WeakPolarHBondContact O-CG 3.49Å; N478-E482 PolarHBondContact OD1-OE1 3.25Å; N478-R631 WeakPolarHBondContact OD1-CD 3.43Å; N478-R631 VanDerWaalsContact OD1-CZ 3.3Å; N478-R631 PolarHBondContact OD1-NE 3.41Å; N478-R634 PolarHBondContact OD1-NH2 3.34Å; N478-R700 PolarHBondContact ND2-NH1 2.85Å |
| 479 | Y | 67.3 | Low | 66 | Low | 44 Ų | 44 | 20.9 Ų | 20.9 | 17% | 0.173 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -90.1 | -34.6 | -167.5 | -67.3 | -68.6 | 0 | 0 | 0 | 114 | L475 F476 Y481 F1005 M1010 | L475-Y479 HydrophobicContact CD2-CE2 4.14Å; L475-Y479 WeakPolarHBondContact O-CD2 3.04Å; L475-Y479 PolarHBondContact O-N 3.12Å; L475-Y479 VanDerWaalsContact O-N 3.14Å; F476-Y479 PolarHBondContact O-N 3.48Å; Y479-Y481 VanDerWaalsContact C-N 3.3Å; Y479-Y481 PolarHBondContact O-N 2.98Å; Y479-F1005 HydrophobicContact CD1-CD2 4.48Å; Y479-F1005 AromaticContact CD1-CE2 3.91Å; Y479-F1005 HydrophobicContact CD1-CE2 3.91Å; Y479-F1005 HydrophobicContact CD1-CZ 4.24Å; Y479-F1005 AromaticContact CD2-CD2 3.85Å; Y479-F1005 HydrophobicContact CD2-CD2 3.85Å; Y479-F1005 AromaticContact CD2-CE2 3.56Å; Y479-F1005 HydrophobicContact CD2-CE2 3.56Å; Y479-F1005 AromaticContact CE1-CD2 3.94Å; Y479-F1005 HydrophobicContact CE1-CD2 3.94Å; Y479-F1005 AromaticContact CE1-CE2 3.79Å; Y479-F1005 HydrophobicContact CE1-CE2 3.79Å; Y479-F1005 HydrophobicContact CE1-CG 4.41Å; Y479-F1005 HydrophobicContact CE1-CZ 4.16Å; Y479-F1005 AromaticContact CE2-CD2 3.22Å; Y479-F1005 HydrophobicContact CE2-CD2 3.22Å; Y479-F1005 AromaticContact CE2-CE2 3.44Å; Y479-F1005 HydrophobicContact CE2-CE2 3.44Å; Y479-F1005 VanDerWaalsContact CE2-CE2 3.44Å; Y479-F1005 HydrophobicContact CE2-CG 4.19Å; Y479-F1005 HydrophobicContact CG-CD2 4.45Å; Y479-F1005 AromaticContact CG-CE2 3.82Å; Y479-F1005 HydrophobicContact CG-CE2 3.82Å; Y479-F1005 HydrophobicContact CG-CZ 4.46Å; Y479-F1005 AromaticContact CZ-CD2 3.27Å; Y479-F1005 AromaticContact CZ-CE2 3.55Å; Y479-F1005 AromaticContact CZ-CG 3.82Å; Y479-F1005 WeakPolarHBondContact OH-CD2 3.47Å; Y479-M1010 HydrophobicContact CD1-CE 3.69Å; Y479-M1010 HydrophobicContact CG-CE 4.17Å |
| 480 | A | 60.3 | Low | 64.7 | Low | 10 Ų | 10 | 27.4 Ų | 27.4 | 8% | 0.083 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.5 | -40 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | F476 I485 | F476-A480 HydrophobicContact CD1-CB 4.39Å; F476-A480 HydrophobicContact CD2-CB 4.26Å; F476-A480 HydrophobicContact CE1-CB 3.95Å; F476-A480 HydrophobicContact CE2-CB 3.76Å; F476-A480 HydrophobicContact CZ-CB 3.61Å; F476-A480 VanDerWaalsContact O-CB 3.3Å; F476-A480 WeakPolarHBondContact O-CB 3.35Å; F476-A480 PolarHBondContact O-N 3.35Å; A480-I485 VanDerWaalsContact O-CB 3.31Å; A480-I485 WeakPolarHBondContact O-CB 3.2Å; A480-I485 WeakPolarHBondContact O-CD1 3.44Å |
| 481 | Y | 52 | Low | 63.9 | Low | 25 Ų | 25 | 28.7 Ų | 28.7 | 10% | 0.098 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -81.3 | -17.5 | -166.6 | -125.1 | -99.1 | 0 | 0 | 0 | 115.9 | L477 Y479 I485 E486 Y489 L493 L1094 I1098 | L477-Y481 HydrophobicContact CD1-CD2 3.72Å; L477-Y481 HydrophobicContact CD1-CE2 4.2Å; L477-Y481 HydrophobicContact CD1-CG 4.32Å; L477-Y481 WeakPolarHBondContact O-CB 3.26Å; Y479-Y481 VanDerWaalsContact C-N 3.3Å; Y479-Y481 PolarHBondContact O-N 2.98Å; Y481-I485 HydrophobicContact CD1-CG2 4.37Å; Y481-I485 HydrophobicContact CD2-CG2 4.02Å; Y481-I485 HydrophobicContact CE2-CG2 4.22Å; Y481-I485 HydrophobicContact CG-CG2 4.11Å; Y481-I485 CarbonylContact O-C 3.55Å; Y481-E486 VanDerWaalsContact O-CA 3.31Å; Y481-E486 WeakPolarHBondContact O-CA 3.25Å; Y481-E486 WeakPolarHBondContact O-CB 3.44Å; Y481-E486 PolarHBondContact O-N 2.83Å; Y481-Y489 HydrophobicContact CD1-CD2 4.44Å; Y481-Y489 AromaticContact CE1-CD2 3.34Å; Y481-Y489 HydrophobicContact CE1-CD2 3.34Å; Y481-Y489 HydrophobicContact CE1-CE2 4.03Å; Y481-Y489 AromaticContact CE1-CG 3.62Å; Y481-Y489 HydrophobicContact CE1-CG 3.62Å; Y481-Y489 HydrophobicContact CE2-CD2 4.18Å; Y481-Y489 HydrophobicContact CE2-CE2 4.02Å; Y481-Y489 AromaticContact CZ-CD2 3.18Å; Y481-Y489 AromaticContact CZ-CE2 3.35Å; Y481-Y489 AromaticContact CZ-CG 3.65Å; Y481-Y489 AromaticContact CZ-CZ 3.95Å; Y481-Y489 WeakPolarHBondContact OH-CD1 3.48Å; Y481-Y489 WeakPolarHBondContact OH-CD2 3.17Å; Y481-Y489 WeakPolarHBondContact OH-CE1 3.2Å; Y481-Y489 WeakPolarHBondContact OH-CE2 3.42Å; Y481-L493 HydrophobicContact CE1-CD1 4.32Å; Y481-L493 HydrophobicContact CE1-CG 4.15Å; Y481-L493 HydrophobicContact CE2-CD1 3.49Å; Y481-L493 VanDerWaalsContact CE2-CD1 3.49Å; Y481-L493 HydrophobicContact CE2-CG 4.22Å; Y481-L493 WeakPolarHBondContact OH-CD1 3.28Å; Y481-L493 VanDerWaalsContact OH-CD2 3.28Å; Y481-L493 WeakPolarHBondContact OH-CD2 3.44Å; Y481-L493 WeakPolarHBondContact OH-CG 3.41Å; Y481-L1094 HydrophobicContact CE2-CD1 4.33Å; Y481-I1098 HydrophobicContact CD2-CD1 4.22Å; Y481-I1098 HydrophobicContact CE2-CD1 3.82Å; Y481-I1098 HydrophobicContact CE2-CG1 3.98Å |
| 482 | E | 55 | Low | 63.8 | Low | 6 Ų | 6 | 28.4 Ų | 28.4 | 3% | 0.028 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | -34.4 | -154.3 | -79.7 | 163.4 | -156.4 | 0 | 0 | 117.1 | N478 E486 R634 R700 | N478-E482 WeakPolarHBondContact O-CG 3.49Å; N478-E482 PolarHBondContact OD1-OE1 3.25Å; E482-E486 VanDerWaalsContact O-CB 3.22Å; E482-E486 WeakPolarHBondContact O-CB 3.4Å; E482-E486 VanDerWaalsContact O-OE2 3.14Å; E482-R634 VanDerWaalsContact CD-NH2 3.31Å; E482-R634 IonicContact OE1-CZ 2.98Å; E482-R634 IonicContact OE1-NE 3.91Å; E482-R634 IonicContact OE1-NH1 2.82Å; E482-R634 PolarHBondContact OE1-NH1 2.77Å; E482-R634 IonicContact OE1-NH2 4Å; E482-R634 PolarHBondContact OE1-NH2 2.92Å; E482-R634 IonicContact OE2-CZ 3.82Å; E482-R634 IonicContact OE2-NE 2.65Å; E482-R634 IonicContact OE2-NH1 3.16Å; E482-R634 IonicContact OE2-NH2 3.72Å; E482-R634 PolarHBondContact OE2-NH2 3Å; E482-R700 VanDerWaalsContact OE2-CD 3.22Å; E482-R700 WeakPolarHBondContact OE2-CD 3.22Å; E482-R700 IonicContact OE2-CZ 3.69Å; E482-R700 VanDerWaalsContact OE2-CZ 3.23Å; E482-R700 IonicContact OE2-NE 3.15Å; E482-R700 PolarHBondContact OE2-NE 3.49Å; E482-R700 IonicContact OE2-NH1 2.99Å; E482-R700 PolarHBondContact OE2-NH1 3.01Å |
| 483 | W | 61.7 | Low | 63.8 | Low | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.008 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -62.2 | -180 | -48.2 | 109.9 | 0 | 0 | 0 | 113.1 | I699 R700 T761 S762 H765 V839 | W483-I699 HydrophobicContact CH2-CG2 4.09Å; W483-R700 HydrophobicContact CH2-CB 4.34Å; W483-R700 HydrophobicContact CH2-CG 3.31Å; W483-R700 HydrophobicContact CZ2-CG 3.18Å; W483-R700 VanDerWaalsContact CZ2-NE 3.33Å; W483-R700 HydrophobicContact CZ3-CG 4.32Å; W483-T761 HydrophobicContact CB-CG2 4.33Å; W483-T761 HydrophobicContact CG-CG2 4.06Å; W483-S762 WeakPolarHBondContact CZ2-OG 3.22Å; W483-H765 HydrophobicContact CD2-CB 4.46Å; W483-H765 HydrophobicContact CE3-CB 3.5Å; W483-H765 VanDerWaalsContact CE3-CB 3.5Å; W483-H765 AromaticContact CE3-CD2 3.48Å; W483-H765 VanDerWaalsContact CE3-CD2 3.48Å; W483-H765 AromaticContact CE3-CG 3.58Å; W483-H765 HydrophobicContact CZ3-CB 3.87Å; W483-H765 AromaticContact CZ3-CD2 3.85Å; W483-H765 PolarHBondContact O-CE1 2.9Å; W483-V839 HydrophobicContact CB-CG2 3.5Å; W483-V839 VanDerWaalsContact CB-CG2 3.5Å; W483-V839 HydrophobicContact CG-CG2 4.43Å |
| 484 | P | 54.6 | Low | 64.3 | Low | 4 Ų | 4 | 26.4 Ų | 26.4 | 3% | 0.026 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -26.4 | -175.2 | -14 | 37.6 | 0 | 0 | 0 | 111.7 | S487 A838 V839 P1016 S1019 | P484-S487 PolarHBondContact O-OG 3.49Å; P484-A838 HydrophobicContact CB-CB 3.76Å; P484-A838 HydrophobicContact CG-CB 3.5Å; P484-A838 VanDerWaalsContact CG-CB 3.5Å; P484-V839 HydrophobicContact CG-CG2 4.18Å; P484-P1016 HydrophobicContact CB-CB 4.23Å; P484-P1016 HydrophobicContact CG-CB 3.77Å; P484-S1019 PolarHBondContact O-OG 3.11Å |
| 485 | I | 52.3 | Low | 64.4 | Low | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -88.6 | -18.7 | -175.7 | -70.4 | 158.1 | 0 | 0 | 0 | 111.8 | A480 Y481 S487 I488 Y489 L1015 P1016 | A480-I485 VanDerWaalsContact O-CB 3.31Å; A480-I485 WeakPolarHBondContact O-CB 3.2Å; A480-I485 WeakPolarHBondContact O-CD1 3.44Å; Y481-I485 HydrophobicContact CD1-CG2 4.37Å; Y481-I485 HydrophobicContact CD2-CG2 4.02Å; Y481-I485 HydrophobicContact CE2-CG2 4.22Å; Y481-I485 HydrophobicContact CG-CG2 4.11Å; Y481-I485 CarbonylContact O-C 3.55Å; I485-S487 PolarHBondContact O-N 3.27Å; I485-S487 VanDerWaalsContact O-N 3.14Å; I485-I488 HydrophobicContact CB-CD1 4.3Å; I485-I488 HydrophobicContact CG1-CD1 4.11Å; I485-I488 HydrophobicContact CG2-CD1 4.05Å; I485-I488 HydrophobicContact CG2-CG1 4.49Å; I485-I488 WeakPolarHBondContact O-CA 3.35Å; I485-I488 WeakPolarHBondContact O-CB 3.37Å; I485-I488 WeakPolarHBondContact O-CG1 3.3Å; I485-I488 PolarHBondContact O-N 2.8Å; I485-Y489 HydrophobicContact CG2-CD2 4.41Å; I485-Y489 HydrophobicContact CG2-CE2 4.45Å; I485-L1015 HydrophobicContact CD1-CB 4.29Å; I485-L1015 HydrophobicContact CD1-CD2 3.85Å; I485-L1015 HydrophobicContact CD1-CG 3.86Å; I485-P1016 HydrophobicContact CD1-CG 4.45Å |
| 486 | E | 58.1 | Low | 65 | Low | 23 Ų | 23 | 24.3 Ų | 24.3 | 11% | 0.107 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -23.8 | 174.7 | -164.6 | 171.7 | -143.8 | 0 | 0 | 111.1 | Y481 E482 I488 Y489 Q638 N703 V707 | Y481-E486 VanDerWaalsContact O-CA 3.31Å; Y481-E486 WeakPolarHBondContact O-CA 3.25Å; Y481-E486 WeakPolarHBondContact O-CB 3.44Å; Y481-E486 PolarHBondContact O-N 2.83Å; E482-E486 VanDerWaalsContact O-CB 3.22Å; E482-E486 WeakPolarHBondContact O-CB 3.4Å; E482-E486 VanDerWaalsContact O-OE2 3.14Å; E486-I488 PolarHBondContact O-N 3.37Å; E486-Y489 VanDerWaalsContact O-O 3.13Å; E486-Q638 PolarHBondContact OE1-NE2 3.36Å; E486-Q638 VanDerWaalsContact OE1-NE2 3.08Å; E486-N703 PolarHBondContact OE2-ND2 3.02Å; E486-N703 VanDerWaalsContact OE2-ND2 3.15Å; E486-V707 HydrophobicContact CG-CG1 4.28Å |
| 487 | S | 56.1 | Low | 65.3 | Low | 44 Ų | 44 | 23.2 Ų | 23.2 | 31% | 0.308 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -20.8 | 170.3 | 70.2 | 0 | 0 | 0 | 0 | 114.3 | P484 I485 N1023 | P484-S487 PolarHBondContact O-OG 3.49Å; I485-S487 PolarHBondContact O-N 3.27Å; I485-S487 VanDerWaalsContact O-N 3.14Å; S487-N1023 PolarHBondContact OG-ND2 2.86Å |
| 488 | I | 53.8 | Low | 65 | Low | 11 Ų | 11 | 24.7 Ų | 24.7 | 6% | 0.056 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -48 | -179.4 | -58.2 | -174.8 | 0 | 0 | 0 | 109.3 | I485 E486 I1098 E1101 L1102 | I485-I488 HydrophobicContact CB-CD1 4.3Å; I485-I488 HydrophobicContact CG1-CD1 4.11Å; I485-I488 HydrophobicContact CG2-CD1 4.05Å; I485-I488 HydrophobicContact CG2-CG1 4.49Å; I485-I488 WeakPolarHBondContact O-CA 3.35Å; I485-I488 WeakPolarHBondContact O-CB 3.37Å; I485-I488 WeakPolarHBondContact O-CG1 3.3Å; I485-I488 PolarHBondContact O-N 2.8Å; E486-I488 PolarHBondContact O-N 3.37Å; I488-I1098 HydrophobicContact CD1-CG2 4.47Å; I488-E1101 HydrophobicContact CG2-CB 4.03Å; I488-E1101 HydrophobicContact CG2-CG 3.33Å; I488-E1101 WeakPolarHBondContact CG2-OE1 3.36Å; I488-E1101 VanDerWaalsContact O-OE1 3.07Å; I488-L1102 HydrophobicContact CD1-CD2 3.55Å; I488-L1102 HydrophobicContact CD1-CG 4.04Å; I488-L1102 HydrophobicContact CG1-CD2 4.48Å |
| 489 | Y | 57.6 | Low | 64.3 | Low | 12 Ų | 12 | 27.3 Ų | 27.3 | 5% | 0.047 | 15% | 0.145 | C | C | . | . | trans | -104.2 | 125.7 | -171.2 | -66.2 | -90.7 | 0 | 0 | 0 | 113 | Y481 I485 E486 S491 L493 N708 S1097 I1098 E1101 | Y481-Y489 HydrophobicContact CD1-CD2 4.44Å; Y481-Y489 AromaticContact CE1-CD2 3.34Å; Y481-Y489 HydrophobicContact CE1-CD2 3.34Å; Y481-Y489 HydrophobicContact CE1-CE2 4.03Å; Y481-Y489 AromaticContact CE1-CG 3.62Å; Y481-Y489 HydrophobicContact CE1-CG 3.62Å; Y481-Y489 HydrophobicContact CE2-CD2 4.18Å; Y481-Y489 HydrophobicContact CE2-CE2 4.02Å; Y481-Y489 AromaticContact CZ-CD2 3.18Å; Y481-Y489 AromaticContact CZ-CE2 3.35Å; Y481-Y489 AromaticContact CZ-CG 3.65Å; Y481-Y489 AromaticContact CZ-CZ 3.95Å; Y481-Y489 WeakPolarHBondContact OH-CD1 3.48Å; Y481-Y489 WeakPolarHBondContact OH-CD2 3.17Å; Y481-Y489 WeakPolarHBondContact OH-CE1 3.2Å; Y481-Y489 WeakPolarHBondContact OH-CE2 3.42Å; I485-Y489 HydrophobicContact CG2-CD2 4.41Å; I485-Y489 HydrophobicContact CG2-CE2 4.45Å; E486-Y489 VanDerWaalsContact O-O 3.13Å; Y489-S491 VanDerWaalsContact C-N 3.27Å; Y489-S491 PolarHBondContact O-N 2.96Å; Y489-L493 HydrophobicContact CD1-CD2 3.85Å; Y489-L493 HydrophobicContact CE1-CD2 3.8Å; Y489-N708 PolarHBondContact O-ND2 2.85Å; Y489-S1097 PolarHBondContact OH-O 2.97Å; Y489-S1097 PolarHBondContact OH-OG 3.44Å; Y489-I1098 HydrophobicContact CE2-CG1 4.26Å; Y489-I1098 VanDerWaalsContact OH-CA 3.27Å; Y489-I1098 WeakPolarHBondContact OH-CA 3.32Å; Y489-I1098 PolarHBondContact OH-N 3Å; Y489-E1101 WeakPolarHBondContact CE1-OE2 3.34Å; Y489-E1101 PolarHBondContact OH-OE2 2.97Å | ||
| 490 | K | 58.7 | Low | 63.7 | Low | 137 Ų | 137 | 28.5 Ų | 28.5 | 60% | 0.596 | 15% | 0.152 | S | C | * | . | S | Bend | trans | -71.4 | -21.7 | 172.7 | -67.3 | 177.3 | -178.5 | 170 | 0 | 112.8 | E1162 | K490-E1162 IonicContact NZ-OE1 3.73Å; K490-E1162 IonicContact NZ-OE2 3.07Å; K490-E1162 PolarHBondContact NZ-OE2 2.93Å |
| 491 | S | 60.8 | Low | 62.8 | Low | 71 Ų | 71 | 31 Ų | 31 | 50% | 0.497 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -138.6 | 163.1 | -170.7 | 55.2 | 0 | 0 | 0 | 0 | 113.4 | Y489 | Y489-S491 VanDerWaalsContact C-N 3.27Å; Y489-S491 PolarHBondContact O-N 2.96Å |
| 492 | C | 69.1 | Low | 62 | Low | 22 Ų | 22 | 36.4 Ų | 36.4 | 15% | 0.149 | 20% | 0.196 | C | C | . | . | P | Polyproline II helix | trans | -65.4 | 136.2 | 175.3 | -171.7 | 0 | 0 | 0 | 0 | 111.1 | I639 | C492-I639 HydrophobicContact CB-CG1 4.44Š|
| 493 | L | 74.1 | Confident | 60.8 | Low | 13 Ų | 13 | 40.5 Ų | 40.5 | 7% | 0.068 | 22% | 0.218 | C | C | . | . | P | Polyproline II helix | trans | -77.1 | 127.7 | 171 | -68.4 | -172.7 | 0 | 0 | 0 | 111.4 | Y481 Y489 L1094 V1270 | Y481-L493 HydrophobicContact CE1-CD1 4.32Å; Y481-L493 HydrophobicContact CE1-CG 4.15Å; Y481-L493 HydrophobicContact CE2-CD1 3.49Å; Y481-L493 VanDerWaalsContact CE2-CD1 3.49Å; Y481-L493 HydrophobicContact CE2-CG 4.22Å; Y481-L493 WeakPolarHBondContact OH-CD1 3.28Å; Y481-L493 VanDerWaalsContact OH-CD2 3.28Å; Y481-L493 WeakPolarHBondContact OH-CD2 3.44Å; Y481-L493 WeakPolarHBondContact OH-CG 3.41Å; Y489-L493 HydrophobicContact CD1-CD2 3.85Å; Y489-L493 HydrophobicContact CE1-CD2 3.8Å; L493-L1094 HydrophobicContact CD1-CD1 3.32Å; L493-V1270 HydrophobicContact CB-CG2 3.83Å; L493-V1270 HydrophobicContact CD1-CG2 3.95Å; L493-V1270 HydrophobicContact CD2-CG2 3.61Å; L493-V1270 HydrophobicContact CG-CG2 3.99Å |
| 494 | F | 84.8 | Confident | 59.2 | Low | 37 Ų | 37 | 44 Ų | 44 | 16% | 0.162 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -98 | 143.9 | 171.5 | -63.9 | -63.5 | 0 | 0 | 0 | 111.8 | R573 S575 S576 I639 S1269 V1270 | F494-R573 CarbonylContact C-O 3.29Å; F494-R573 VanDerWaalsContact CA-O 3.28Å; F494-R573 WeakPolarHBondContact CA-O 3.34Å; F494-S575 VanDerWaalsContact CD1-C 3.49Å; F494-S576 VanDerWaalsContact CE1-N 3.25Å; F494-I639 HydrophobicContact CE1-CG1 4.29Å; F494-I639 HydrophobicContact CE1-CG2 4.42Å; F494-I639 HydrophobicContact CZ-CG1 4.47Å; F494-I639 HydrophobicContact CZ-CG2 4.11Å; F494-S1269 WeakPolarHBondContact O-CA 3.4Å; F494-S1269 PolarHBondContact O-OG 3.11Å; F494-V1270 WeakPolarHBondContact O-CG2 3.36Å; F494-V1270 PolarHBondContact O-N 3.28Å |
| 495 | I | 80.6 | Confident | 57.9 | Low | 8 Ų | 8 | 48.5 Ų | 48.5 | 4% | 0.041 | 27% | 0.271 | C | S | . | . | trans | -135.7 | 52.1 | -163 | -46.4 | 178.2 | 0 | 0 | 0 | 107.9 | L477 R570 R573 P954 Y956 | L477-I495 HydrophobicContact CD2-CD1 3.29Å; I495-R570 PolarHBondContact O-NH1 3.39Å; I495-R570 PolarHBondContact O-NH2 2.95Å; I495-R570 VanDerWaalsContact O-NH2 3.11Å; I495-R573 HydrophobicContact CD1-CB 4.29Å; I495-R573 HydrophobicContact CG1-CB 4.49Å; I495-R573 PolarHBondContact N-O 3.39Å; I495-P954 HydrophobicContact CB-CG 4.4Å; I495-P954 HydrophobicContact CG2-CB 4.05Å; I495-P954 HydrophobicContact CG2-CG 3.19Å; I495-Y956 HydrophobicContact CD1-CD1 4.46Å; I495-Y956 HydrophobicContact CD1-CE1 3.5Å; I495-Y956 HydrophobicContact CG2-CE1 3.99Å | ||
| 496 | A | 83.5 | Confident | 56.6 | Low | 2 Ų | 2 | 53.9 Ų | 53.9 | 2% | 0.017 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -78.2 | 152.3 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110 | H574 P1267 S1269 C1271 | A496-H574 WeakPolarHBondContact CB-NE2 3.43Å; A496-H574 WeakPolarHBondContact CB-O 3.47Å; A496-H574 PolarHBondContact N-O 3.39Å; A496-P1267 HydrophobicContact CB-CG 4.1Å; A496-S1269 PolarHBondContact N-OG 3.5Å; A496-S1269 VanDerWaalsContact N-OG 3.1Å; A496-S1269 VanDerWaalsContact O-CB 3.26Å; A496-S1269 WeakPolarHBondContact O-CB 3.26Å; A496-S1269 PolarHBondContact O-OG 2.95Å; A496-C1271 PolarHBondContact O-SG 3.18Å; A496-C1271 VanDerWaalsContact O-SG 3.36Å |
| 497 | P | 80.8 | Confident | 55.1 | Low | 12 Ų | 12 | 57.2 Ų | 57.2 | 8% | 0.078 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 154.9 | 173.7 | 25.6 | -30.8 | 0 | 0 | 0 | 111.1 | I499 D525 H574 C952 | P497-I499 PolarHBondContact O-N 3.35Å; P497-D525 HydrophobicContact CG-CB 4.13Å; P497-H574 WeakPolarHBondContact CD-NE2 3.35Å; P497-C952 WeakPolarHBondContact CB-O 3.43Å |
| 498 | P | 67.6 | Low | 53.5 | Low | 35 Ų | 35 | 59.3 Ų | 59.3 | 23% | 0.227 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -58.7 | 140.1 | 176.1 | 23.8 | -31.1 | 0 | 0 | 0 | 110.6 | K500 N1089 C1271 | P498-K500 PolarHBondContact O-N 2.98Å; P498-N1089 WeakPolarHBondContact CG-OD1 3.16Å; P498-C1271 HydrophobicContact CB-CB 4.32Å |
| 499 | I | 61.3 | Low | 52.3 | Low | 56 Ų | 56 | 65.4 Ų | 65.4 | 29% | 0.287 | 37% | 0.369 | S | S | . | . | trans | -67 | 109.2 | 178.4 | -62.2 | 150.9 | 0 | 0 | 0 | 108.4 | P497 V1263 K1266 | P497-I499 PolarHBondContact O-N 3.35Å; I499-V1263 HydrophobicContact CD1-CG1 3.63Å; I499-V1263 HydrophobicContact CG1-CG1 4.22Å; I499-V1263 HydrophobicContact CG2-CG1 4.26Å; I499-K1266 HydrophobicContact CG1-CB 4.42Å; I499-K1266 HydrophobicContact CG1-CD 4.3Å; I499-K1266 HydrophobicContact CG2-CD 4.24Å | ||
| 500 | K | 54.8 | Low | 50.8 | Low | 69 Ų | 69 | 73 Ų | 73 | 30% | 0.3 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 128.3 | 165.7 | -64.8 | -176.5 | -174.5 | 173.7 | 0 | 109 | P498 I502 N524 | P498-K500 PolarHBondContact O-N 2.98Å; K500-I502 PolarHBondContact O-N 2.9Å; K500-N524 PolarHBondContact NZ-OD1 3.24Å |
| 501 | P | 41.4 | Very low | 49.2 | Very low | 62 Ų | 62 | 72.2 Ų | 72.2 | 40% | 0.403 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 123.3 | 169.6 | 26.2 | -30.5 | 0 | 0 | 0 | 107.6 | N503 | P501-N503 PolarHBondContact O-N 3.25Å; P501-N503 VanDerWaalsContact O-N 3.11Å |
| 502 | I | 35.4 | Very low | 47.8 | Very low | 139 Ų | 139 | 74.5 Ų | 74.5 | 71% | 0.713 | 43% | 0.428 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 118.1 | 173.2 | -62.8 | 168.1 | 0 | 0 | 0 | 106 | K500 T504 | K500-I502 PolarHBondContact O-N 2.9Å; I502-T504 PolarHBondContact O-N 2.94Å |
| 503 | N | 30.7 | Very low | 46.1 | Very low | 92 Ų | 92 | 77 Ų | 77 | 49% | 0.492 | 46% | 0.457 | S | S | . | . | trans | -59.7 | 99.9 | 175.5 | -83.2 | -27 | 0 | 0 | 0 | 109.3 | P501 S505 V506 | P501-N503 PolarHBondContact O-N 3.25Å; P501-N503 VanDerWaalsContact O-N 3.11Å; N503-S505 PolarHBondContact O-N 3.5Å; N503-V506 PolarHBondContact O-N 2.99Å | ||
| 504 | T | 27.1 | Very low | 44.4 | Very low | 74 Ų | 74 | 82.7 Ų | 82.7 | 45% | 0.454 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | 19.3 | 176.3 | 38.8 | 0 | 0 | 0 | 0 | 114 | I502 V506 | I502-T504 PolarHBondContact O-N 2.94Å; T504-V506 VanDerWaalsContact C-N 3.31Å |
| 505 | S | 26.8 | Very low | 42.5 | Very low | 99 Ų | 99 | 90 Ų | 90 | 69% | 0.692 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -15.8 | 166.7 | 56.8 | 0 | 0 | 0 | 0 | 112.6 | N503 T507 | N503-S505 PolarHBondContact O-N 3.5Å; S505-T507 VanDerWaalsContact C-N 3.28Å; S505-T507 PolarHBondContact O-N 3.08Å |
| 506 | V | 26.3 | Very low | 41.2 | Very low | 114 Ų | 114 | 96.4 Ų | 96.4 | 69% | 0.691 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -81.2 | 86.3 | 169.1 | -170.8 | 0 | 0 | 0 | 0 | 108.4 | N503 T504 | N503-V506 PolarHBondContact O-N 2.99Å; T504-V506 VanDerWaalsContact C-N 3.31Å |
| 507 | T | 25.2 | Very low | 40.6 | Very low | 92 Ų | 92 | 100.7 Ų | 100.7 | 56% | 0.564 | 57% | 0.57 | S | S | * | * | trans | 7 | 122.2 | 148.4 | 35.8 | 0 | 0 | 0 | 0 | 116.8 | S505 Q509 | S505-T507 VanDerWaalsContact C-N 3.28Å; S505-T507 PolarHBondContact O-N 3.08Å; T507-Q509 PolarHBondContact O-N 3.33Å | ||
| 508 | S | 24 | Very low | 40.5 | Very low | 88 Ų | 88 | 102.1 Ų | 102.1 | 62% | 0.615 | 58% | 0.577 | S | S | * | * | trans | -53.2 | 71.3 | 140.8 | 52 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 509 | Q | 27 | Very low | 41 | Very low | 139 Ų | 139 | 102.3 Ų | 102.3 | 65% | 0.65 | 58% | 0.579 | S | S | * | * | trans | -80.7 | 125.7 | 147.2 | -73 | -166.9 | 1.5 | 0 | 0 | 105.8 | T507 S511 | T507-Q509 PolarHBondContact O-N 3.33Å; Q509-S511 PolarHBondContact O-N 3.39Å | ||
| 510 | Q | 26.4 | Very low | 41.8 | Very low | 171 Ų | 171 | 104.7 Ų | 104.7 | 80% | 0.799 | 59% | 0.589 | S | S | * | * | trans | -42.4 | 134.7 | -175.4 | -68.3 | 162.4 | -13.2 | 0 | 0 | 110.7 | T512 | Q510-T512 VanDerWaalsContact C-N 3.26Å; Q510-T512 PolarHBondContact O-N 3.14Å | ||
| 511 | S | 26.6 | Very low | 43 | Very low | 121 Ų | 121 | 104.7 Ų | 104.7 | 85% | 0.846 | 59% | 0.592 | S | S | * | * | trans | -48.8 | 88.3 | 169 | 53.3 | 0 | 0 | 0 | 0 | 111.6 | Q509 | Q509-S511 PolarHBondContact O-N 3.39Š| ||
| 512 | T | 30.7 | Very low | 44.9 | Very low | 120 Ų | 120 | 101.8 Ų | 101.8 | 74% | 0.736 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -107.9 | 78.3 | 147.7 | 52.1 | 0 | 0 | 0 | 0 | 106.3 | Q510 E514 | Q510-T512 VanDerWaalsContact C-N 3.26Å; Q510-T512 PolarHBondContact O-N 3.14Å; T512-E514 VanDerWaalsContact C-N 3.26Å; T512-E514 PolarHBondContact O-N 2.64Å |
| 513 | G | 32.7 | Very low | 47.2 | Very low | 73 Ų | 73 | 95.2 Ų | 95.2 | 75% | 0.753 | 54% | 0.54 | S | S | * | . | trans | 37.5 | 48.3 | 164.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | E515 | G513-E515 VanDerWaalsContact C-N 3.34Å; G513-E515 PolarHBondContact O-N 3.3Å | ||
| 514 | E | 39.7 | Very low | 49.6 | Very low | 133 Ų | 133 | 93.2 Ų | 93.2 | 62% | 0.621 | 53% | 0.529 | S | S | * | . | trans | -66.1 | 101.7 | 172 | -70.2 | -168.7 | 167.6 | 0 | 0 | 106.8 | T512 H516 | T512-E514 VanDerWaalsContact C-N 3.26Å; T512-E514 PolarHBondContact O-N 2.64Å; E514-H516 PolarHBondContact O-N 2.82Å | ||
| 515 | E | 43.8 | Very low | 52.5 | Low | 190 Ų | 190 | 90.7 Ų | 90.7 | 89% | 0.888 | 51% | 0.512 | S | S | * | . | trans | -46.7 | 111.2 | 166.9 | -69 | -179.4 | 151.6 | 0 | 0 | 106.5 | G513 D517 | G513-E515 VanDerWaalsContact C-N 3.34Å; G513-E515 PolarHBondContact O-N 3.3Å; E515-D517 PolarHBondContact O-N 2.78Å | ||
| 516 | H | 54 | Low | 55.6 | Low | 144 Ų | 144 | 86 Ų | 86 | 67% | 0.667 | 48% | 0.479 | S | S | * | . | trans | -49.2 | 129.8 | 167.7 | -87.8 | 17.2 | 0 | 0 | 0 | 107.1 | E514 D518 L521 | E514-H516 PolarHBondContact O-N 2.82Å; H516-D518 VanDerWaalsContact C-N 3.33Å; H516-D518 PolarHBondContact O-N 3.24Å; H516-L521 HydrophobicContact CB-CD1 3.95Å; H516-L521 HydrophobicContact CB-CG 4.45Å | ||
| 517 | D | 69.6 | Low | 58.7 | Low | 91 Ų | 91 | 80.6 Ų | 80.6 | 49% | 0.487 | 45% | 0.447 | S | S | . | . | trans | -60.8 | 102.5 | 176.3 | -173.8 | -4.6 | 0 | 0 | 0 | 107.1 | E515 S519 E520 L521 | E515-D517 PolarHBondContact O-N 2.78Å; D517-S519 PolarHBondContact O-N 3.21Å; D517-S519 WeakPolarHBondContact OD1-CB 3.28Å; D517-S519 PolarHBondContact OD1-N 3.07Å; D517-S519 PolarHBondContact OD1-OG 3.18Å; D517-E520 HydrophobicContact CB-CB 4.09Å; D517-E520 WeakPolarHBondContact O-CA 3.37Å; D517-E520 WeakPolarHBondContact O-CB 3.32Å; D517-E520 PolarHBondContact O-N 2.92Å; D517-L521 PolarHBondContact O-N 3.15Å; D517-L521 VanDerWaalsContact O-N 3.14Å | ||
| 518 | D | 78.5 | Confident | 61.8 | Low | 42 Ų | 42 | 78.9 Ų | 78.9 | 23% | 0.225 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -55.3 | -25.8 | -179.2 | -82.2 | -30.7 | 0 | 0 | 0 | 110 | F424 H516 A522 F529 R533 | F424-D518 HydrophobicContact CE1-CB 4.04Å; F424-D518 HydrophobicContact CZ-CB 3.77Å; H516-D518 VanDerWaalsContact C-N 3.33Å; H516-D518 PolarHBondContact O-N 3.24Å; D518-A522 VanDerWaalsContact O-CB 3.29Å; D518-A522 WeakPolarHBondContact O-CB 3.48Å; D518-A522 PolarHBondContact O-N 3.17Å; D518-F529 HydrophobicContact CB-CE2 4.16Å; D518-R533 IonicContact OD1-CZ 3.61Å; D518-R533 IonicContact OD1-NE 3.44Å; D518-R533 PolarHBondContact OD1-NE 3.41Å; D518-R533 IonicContact OD1-NH2 3.75Å; D518-R533 PolarHBondContact OD1-NH2 3.24Å; D518-R533 IonicContact OD2-CZ 3.63Å; D518-R533 IonicContact OD2-NE 3.42Å; D518-R533 PolarHBondContact OD2-NE 3.03Å; D518-R533 IonicContact OD2-NH2 3.04Å; D518-R533 PolarHBondContact OD2-NH2 3.32Å |
| 519 | S | 78.7 | Confident | 65 | Low | 40 Ų | 40 | 75.3 Ų | 75.3 | 28% | 0.28 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -65.7 | -42.8 | 174 | -35.7 | 0 | 0 | 0 | 0 | 111.9 | D517 A522 A523 | D517-S519 PolarHBondContact O-N 3.21Å; D517-S519 WeakPolarHBondContact OD1-CB 3.28Å; D517-S519 PolarHBondContact OD1-N 3.07Å; D517-S519 PolarHBondContact OD1-OG 3.18Å; S519-A522 PolarHBondContact O-N 3.28Å; S519-A523 WeakPolarHBondContact O-CB 3.43Å; S519-A523 PolarHBondContact O-N 3.15Å |
| 520 | E | 77.5 | Confident | 68.1 | Low | 106 Ų | 106 | 68.7 Ų | 68.7 | 50% | 0.495 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -67.4 | -40.2 | 177.4 | -168.8 | -178.6 | 178.8 | 0 | 0 | 110.9 | D517 A523 N524 | D517-E520 HydrophobicContact CB-CB 4.09Å; D517-E520 WeakPolarHBondContact O-CA 3.37Å; D517-E520 WeakPolarHBondContact O-CB 3.32Å; D517-E520 PolarHBondContact O-N 2.92Å; E520-A523 PolarHBondContact O-N 3.35Å; E520-N524 WeakPolarHBondContact O-CB 3.48Å; E520-N524 VanDerWaalsContact O-CG 3.3Å; E520-N524 PolarHBondContact O-N 3.39Å; E520-N524 PolarHBondContact O-ND2 2.69Å; E520-N524 VanDerWaalsContact O-ND2 3.14Å |
| 521 | L | 79.9 | Confident | 71.3 | Confident | 69 Ų | 69 | 61.2 Ų | 61.2 | 36% | 0.361 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.3 | -45.9 | 173.2 | -67.7 | 178.6 | 0 | 0 | 0 | 111.6 | H516 D517 A523 N524 D525 | H516-L521 HydrophobicContact CB-CD1 3.95Å; H516-L521 HydrophobicContact CB-CG 4.45Å; D517-L521 PolarHBondContact O-N 3.15Å; D517-L521 VanDerWaalsContact O-N 3.14Å; L521-A523 VanDerWaalsContact C-N 3.33Å; L521-A523 PolarHBondContact O-N 3.04Å; L521-N524 PolarHBondContact O-N 2.76Å; L521-D525 PolarHBondContact O-N 3.34Å |
| 522 | A | 83 | Confident | 74.3 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.9 | -36.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | L423 F424 D518 S519 P526 F529 | L423-A522 HydrophobicContact CD1-CB 4.17Å; F424-A522 HydrophobicContact CE2-CB 3.88Å; F424-A522 HydrophobicContact CZ-CB 4.34Å; D518-A522 VanDerWaalsContact O-CB 3.29Å; D518-A522 WeakPolarHBondContact O-CB 3.48Å; D518-A522 PolarHBondContact O-N 3.17Å; S519-A522 PolarHBondContact O-N 3.28Å; A522-P526 WeakPolarHBondContact O-CA 3.43Å; A522-F529 HydrophobicContact CB-CB 4.23Å; A522-F529 HydrophobicContact CB-CD1 3.77Å; A522-F529 HydrophobicContact CB-CD2 3.88Å; A522-F529 HydrophobicContact CB-CE1 4.12Å; A522-F529 HydrophobicContact CB-CE2 4.22Å; A522-F529 HydrophobicContact CB-CG 3.66Å; A522-F529 HydrophobicContact CB-CZ 4.35Å |
| 523 | A | 82.3 | Confident | 77.1 | Confident | 2 Ų | 2 | 59.3 Ų | 59.3 | 2% | 0.017 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -73.3 | -32.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L401 S519 E520 L521 C952 | L401-A523 WeakPolarHBondContact O-CA 3.46Å; L401-A523 WeakPolarHBondContact O-CB 3.25Å; S519-A523 WeakPolarHBondContact O-CB 3.43Å; S519-A523 PolarHBondContact O-N 3.15Å; E520-A523 PolarHBondContact O-N 3.35Å; L521-A523 VanDerWaalsContact C-N 3.33Å; L521-A523 PolarHBondContact O-N 3.04Å; A523-C952 WeakPolarHBondContact O-CB 3.24Å |
| 524 | N | 82.1 | Confident | 79.7 | Confident | 49 Ų | 49 | 57 Ų | 57 | 26% | 0.262 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -80.6 | -45.3 | 179.5 | -76.3 | -34.4 | 0 | 0 | 0 | 112.8 | K500 E520 L521 C952 | K500-N524 PolarHBondContact NZ-OD1 3.24Å; E520-N524 WeakPolarHBondContact O-CB 3.48Å; E520-N524 VanDerWaalsContact O-CG 3.3Å; E520-N524 PolarHBondContact O-N 3.39Å; E520-N524 PolarHBondContact O-ND2 2.69Å; E520-N524 VanDerWaalsContact O-ND2 3.14Å; L521-N524 PolarHBondContact O-N 2.76Å; N524-C952 WeakPolarHBondContact O-CB 3.24Å |
| 525 | D | 88.6 | Confident | 82.2 | Confident | 21 Ų | 21 | 56.5 Ų | 56.5 | 11% | 0.112 | 27% | 0.273 | C | S | . | . | trans | -139 | 88 | 178.1 | -166.2 | -27.9 | 0 | 0 | 0 | 110.9 | P497 L521 V527 E528 F529 H574 | P497-D525 HydrophobicContact CG-CB 4.13Å; L521-D525 PolarHBondContact O-N 3.34Å; D525-V527 PolarHBondContact O-N 3.42Å; D525-V527 PolarHBondContact OD1-N 3.46Å; D525-E528 HydrophobicContact CB-CB 4.03Å; D525-E528 WeakPolarHBondContact OD1-CB 3.39Å; D525-E528 PolarHBondContact OD1-N 3.1Å; D525-E528 WeakPolarHBondContact OD2-CB 3.4Å; D525-F529 VanDerWaalsContact O-CB 3.26Å; D525-F529 WeakPolarHBondContact O-CB 3.39Å; D525-F529 PolarHBondContact O-N 3.36Å; D525-H574 IonicContact OD1-CE1 2.7Å; D525-H574 IonicContact OD1-NE2 3.79Å; D525-H574 PolarHBondContact OD1-NE2 2.62Å; D525-H574 IonicContact OD2-CE1 3.66Å; D525-H574 PolarHBondContact OD2-CE1 3.48Å; D525-H574 IonicContact OD2-NE2 2.63Å; D525-H574 PolarHBondContact OD2-NE2 2.85Å | ||
| 526 | P | 90.1 | Very high | 84.6 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.6 | -27.3 | -177.5 | 27.1 | -36.1 | 0 | 0 | 0 | 112.6 | L401 L423 I468 A522 L530 C952 L953 | L401-P526 HydrophobicContact CD1-CG 4.41Å; L401-P526 HydrophobicContact CD2-CB 4.3Å; L423-P526 HydrophobicContact CD1-CB 3.6Å; I468-P526 HydrophobicContact CD1-CB 4.46Å; A522-P526 WeakPolarHBondContact O-CA 3.43Å; P526-L530 WeakPolarHBondContact O-CB 3.27Å; P526-L530 WeakPolarHBondContact O-CG 3.37Å; P526-L530 PolarHBondContact O-N 3.39Å; P526-L530 VanDerWaalsContact O-N 3.13Å; P526-C952 HydrophobicContact CG-CB 4.4Å; P526-L953 HydrophobicContact CG-CD2 3.88Å; P526-L953 HydrophobicContact CG-CG 4.31Å |
| 527 | V | 91.9 | Very high | 86.5 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -76.3 | -50.4 | -177.4 | -171.6 | 0 | 0 | 0 | 0 | 109.9 | I468 D525 F529 L530 F531 H574 L953 | I468-V527 HydrophobicContact CG2-CG2 3.54Å; D525-V527 PolarHBondContact O-N 3.42Å; D525-V527 PolarHBondContact OD1-N 3.46Å; V527-F529 VanDerWaalsContact C-N 3.33Å; V527-F529 PolarHBondContact O-N 3.25Å; V527-L530 PolarHBondContact O-N 2.81Å; V527-F531 HydrophobicContact CG1-CD2 4.05Å; V527-F531 HydrophobicContact CG1-CE2 4.34Å; V527-F531 WeakPolarHBondContact O-CD2 3.39Å; V527-F531 PolarHBondContact O-N 2.87Å; V527-F531 VanDerWaalsContact O-N 3.1Å; V527-H574 HydrophobicContact CG1-CB 3.79Å; V527-L953 HydrophobicContact CG2-CD2 3.99Å |
| 528 | E | 90.2 | Very high | 87.6 | Confident | 57 Ų | 57 | 43.9 Ų | 43.9 | 27% | 0.266 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -60.1 | -45.2 | 176.4 | -169.6 | 175.5 | -153.3 | 0 | 0 | 110.7 | D525 L530 F531 I532 | D525-E528 HydrophobicContact CB-CB 4.03Å; D525-E528 WeakPolarHBondContact OD1-CB 3.39Å; D525-E528 PolarHBondContact OD1-N 3.1Å; D525-E528 WeakPolarHBondContact OD2-CB 3.4Å; E528-L530 PolarHBondContact O-N 3.11Å; E528-F531 PolarHBondContact O-N 3.04Å; E528-I532 HydrophobicContact CG-CB 4.33Å; E528-I532 HydrophobicContact CG-CD1 3.48Å; E528-I532 VanDerWaalsContact CG-CD1 3.48Å; E528-I532 HydrophobicContact CG-CG1 3.92Å; E528-I532 WeakPolarHBondContact O-CA 3.46Å; E528-I532 VanDerWaalsContact O-CB 3.27Å; E528-I532 WeakPolarHBondContact O-CB 3.44Å; E528-I532 PolarHBondContact O-N 3.3Å |
| 529 | F | 90.8 | Very high | 88.1 | Confident | 12 Ų | 12 | 44.4 Ų | 44.4 | 5% | 0.053 | 20% | 0.204 | C | C | . | . | I | π-helix | trans | -55.2 | -49.6 | 175.9 | 172.5 | -95.3 | 0 | 0 | 0 | 112 | L423 F424 D518 A522 D525 V527 R533 S534 | L423-F529 HydrophobicContact CB-CD1 4.37Å; L423-F529 HydrophobicContact CB-CE1 4.13Å; L423-F529 HydrophobicContact CD1-CD1 4.14Å; F424-F529 AromaticContact CD1-CZ 3.97Å; F424-F529 HydrophobicContact CD1-CZ 3.97Å; F424-F529 HydrophobicContact CD2-CZ 4.45Å; F424-F529 HydrophobicContact CE1-CE1 4.36Å; F424-F529 AromaticContact CE1-CE2 3.88Å; F424-F529 HydrophobicContact CE1-CE2 3.88Å; F424-F529 AromaticContact CE1-CZ 3.36Å; F424-F529 HydrophobicContact CE1-CZ 3.36Å; F424-F529 HydrophobicContact CE2-CE1 4.34Å; F424-F529 HydrophobicContact CE2-CE2 4.42Å; F424-F529 AromaticContact CE2-CZ 3.9Å; F424-F529 HydrophobicContact CE2-CZ 3.9Å; F424-F529 HydrophobicContact CG-CZ 4.48Å; F424-F529 HydrophobicContact CZ-CE1 4.17Å; F424-F529 AromaticContact CZ-CE2 3.62Å; F424-F529 HydrophobicContact CZ-CE2 3.62Å; F424-F529 AromaticContact CZ-CZ 3.31Å; F424-F529 HydrophobicContact CZ-CZ 3.31Å; D518-F529 HydrophobicContact CB-CE2 4.16Å; A522-F529 HydrophobicContact CB-CB 4.23Å; A522-F529 HydrophobicContact CB-CD1 3.77Å; A522-F529 HydrophobicContact CB-CD2 3.88Å; A522-F529 HydrophobicContact CB-CE1 4.12Å; A522-F529 HydrophobicContact CB-CE2 4.22Å; A522-F529 HydrophobicContact CB-CG 3.66Å; A522-F529 HydrophobicContact CB-CZ 4.35Å; D525-F529 VanDerWaalsContact O-CB 3.26Å; D525-F529 WeakPolarHBondContact O-CB 3.39Å; D525-F529 PolarHBondContact O-N 3.36Å; V527-F529 VanDerWaalsContact C-N 3.33Å; V527-F529 PolarHBondContact O-N 3.25Å; F529-R533 HydrophobicContact CD2-CB 3.85Å; F529-R533 HydrophobicContact CD2-CG 3.95Å; F529-R533 HydrophobicContact CE2-CB 4.16Å; F529-R533 HydrophobicContact CE2-CG 3.85Å; F529-R533 WeakPolarHBondContact O-CB 3.46Å; F529-R533 PolarHBondContact O-N 3.33Å; F529-R533 VanDerWaalsContact O-N 3.11Å; F529-S534 PolarHBondContact O-N 3.39Å |
| 530 | L | 92.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | I | π-helix | trans | -61.9 | -49.7 | -179.2 | -82 | -171.8 | 0 | 0 | 0 | 112.4 | L423 L464 I468 P526 V527 E528 S534 K535 L536 | L423-L530 HydrophobicContact CB-CD2 4.28Å; L423-L530 HydrophobicContact CD2-CD1 3.98Å; L423-L530 HydrophobicContact CD2-CD2 3.99Å; L423-L530 HydrophobicContact CD2-CG 4Å; L464-L530 HydrophobicContact CD2-CD1 4.07Å; L464-L530 HydrophobicContact CD2-CD2 4.26Å; I468-L530 HydrophobicContact CD1-CD1 3.14Å; I468-L530 HydrophobicContact CD1-CG 4.12Å; P526-L530 WeakPolarHBondContact O-CB 3.27Å; P526-L530 WeakPolarHBondContact O-CG 3.37Å; P526-L530 PolarHBondContact O-N 3.39Å; P526-L530 VanDerWaalsContact O-N 3.13Å; V527-L530 PolarHBondContact O-N 2.81Å; E528-L530 PolarHBondContact O-N 3.11Å; L530-S534 WeakPolarHBondContact CA-OG 3.49Å; L530-S534 PolarHBondContact O-OG 2.87Å; L530-K535 PolarHBondContact O-N 3.19Å; L530-L536 HydrophobicContact CB-CD2 4.26Å; L530-L536 HydrophobicContact CD1-CD2 4.17Å; L530-L536 WeakPolarHBondContact O-CB 3.49Å; L530-L536 PolarHBondContact O-N 2.73Å; L530-L536 VanDerWaalsContact O-N 3.11Å |
| 531 | F | 93.3 | Very high | 89.5 | Confident | 14 Ų | 14 | 37.9 Ų | 37.9 | 6% | 0.061 | 17% | 0.17 | C | C | . | . | I | π-helix | trans | -80.7 | -40 | -172.3 | -76.6 | -75 | 0 | 0 | 0 | 113.2 | V527 E528 L536 A537 L567 I582 | V527-F531 HydrophobicContact CG1-CD2 4.05Å; V527-F531 HydrophobicContact CG1-CE2 4.34Å; V527-F531 WeakPolarHBondContact O-CD2 3.39Å; V527-F531 PolarHBondContact O-N 2.87Å; V527-F531 VanDerWaalsContact O-N 3.1Å; E528-F531 PolarHBondContact O-N 3.04Å; F531-L536 HydrophobicContact CE1-CD2 4.45Å; F531-L536 HydrophobicContact CZ-CD2 4.48Å; F531-A537 HydrophobicContact CD1-CB 4.19Å; F531-L567 HydrophobicContact CZ-CG 4.31Å; F531-L567 WeakPolarHBondContact CZ-O 3.37Å; F531-I582 HydrophobicContact CB-CD1 4.3Å; F531-I582 HydrophobicContact CB-CG1 4.31Å; F531-I582 HydrophobicContact CD1-CD1 3.5Å; F531-I582 VanDerWaalsContact CD1-CD1 3.5Å; F531-I582 HydrophobicContact CD1-CG1 3.63Å; F531-I582 HydrophobicContact CD2-CD1 4.3Å; F531-I582 HydrophobicContact CE1-CD1 3.78Å; F531-I582 HydrophobicContact CE1-CG1 4.2Å; F531-I582 HydrophobicContact CG-CD1 3.78Å; F531-I582 HydrophobicContact CG-CG1 4.12Å; F531-I582 HydrophobicContact CZ-CD1 4.3Å |
| 532 | I | 90.2 | Very high | 89.8 | Confident | 63 Ų | 63 | 39.3 Ų | 39.3 | 32% | 0.323 | 17% | 0.171 | S | C | . | . | I | π-helix | trans | -88.4 | -59.8 | -176.3 | -54.2 | -166.5 | 0 | 0 | 0 | 110.9 | E528 K535 T578 | E528-I532 HydrophobicContact CG-CB 4.33Å; E528-I532 HydrophobicContact CG-CD1 3.48Å; E528-I532 VanDerWaalsContact CG-CD1 3.48Å; E528-I532 HydrophobicContact CG-CG1 3.92Å; E528-I532 WeakPolarHBondContact O-CA 3.46Å; E528-I532 VanDerWaalsContact O-CB 3.27Å; E528-I532 WeakPolarHBondContact O-CB 3.44Å; E528-I532 PolarHBondContact O-N 3.3Å; I532-K535 WeakPolarHBondContact O-CG 3.49Å; I532-T578 HydrophobicContact CD1-CG2 3.77Å; I532-T578 HydrophobicContact CG1-CG2 3.99Å |
| 533 | R | 88.7 | Confident | 90.1 | Very high | 139 Ų | 139 | 39.5 Ų | 39.5 | 53% | 0.525 | 17% | 0.172 | S | C | . | . | I | π-helix | trans | -74.5 | -49.6 | -171.1 | -174.5 | 65.5 | 177.7 | 104.8 | 2.9 | 112 | D518 F529 K535 | D518-R533 IonicContact OD1-CZ 3.61Å; D518-R533 IonicContact OD1-NE 3.44Å; D518-R533 PolarHBondContact OD1-NE 3.41Å; D518-R533 IonicContact OD1-NH2 3.75Å; D518-R533 PolarHBondContact OD1-NH2 3.24Å; D518-R533 IonicContact OD2-CZ 3.63Å; D518-R533 IonicContact OD2-NE 3.42Å; D518-R533 PolarHBondContact OD2-NE 3.03Å; D518-R533 IonicContact OD2-NH2 3.04Å; D518-R533 PolarHBondContact OD2-NH2 3.32Å; F529-R533 HydrophobicContact CD2-CB 3.85Å; F529-R533 HydrophobicContact CD2-CG 3.95Å; F529-R533 HydrophobicContact CE2-CB 4.16Å; F529-R533 HydrophobicContact CE2-CG 3.85Å; F529-R533 WeakPolarHBondContact O-CB 3.46Å; F529-R533 PolarHBondContact O-N 3.33Å; F529-R533 VanDerWaalsContact O-N 3.11Å; R533-K535 VanDerWaalsContact C-N 3.27Å; R533-K535 PolarHBondContact O-N 2.92Å |
| 534 | S | 88.5 | Confident | 90.4 | Very high | 25 Ų | 25 | 39.4 Ų | 39.4 | 18% | 0.175 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -79.9 | -9.2 | -179.2 | 100.9 | 0 | 0 | 0 | 0 | 113.5 | R427 F529 L530 L536 | R427-S534 WeakPolarHBondContact CD-OG 3.38Å; R427-S534 PolarHBondContact NE-O 2.86Å; R427-S534 VanDerWaalsContact NE-O 3.13Å; R427-S534 PolarHBondContact NE-OG 3.42Å; F529-S534 PolarHBondContact O-N 3.39Å; L530-S534 WeakPolarHBondContact CA-OG 3.49Å; L530-S534 PolarHBondContact O-OG 2.87Å; S534-L536 PolarHBondContact O-N 3.14Å |
| 535 | K | 91.7 | Very high | 90.6 | Very high | 122 Ų | 122 | 37 Ų | 37 | 53% | 0.53 | 16% | 0.158 | S | C | . | . | trans | 51.8 | 40.5 | 179.5 | -60.7 | -179.3 | -179.2 | 174.1 | 0 | 113 | L530 I532 R533 A537 R538 R539 | L530-K535 PolarHBondContact O-N 3.19Å; I532-K535 WeakPolarHBondContact O-CG 3.49Å; R533-K535 VanDerWaalsContact C-N 3.27Å; R533-K535 PolarHBondContact O-N 2.92Å; K535-A537 VanDerWaalsContact C-N 3.26Å; K535-A537 PolarHBondContact O-N 3.16Å; K535-R538 HydrophobicContact CB-CB 4.36Å; K535-R538 WeakPolarHBondContact O-CB 3.31Å; K535-R538 PolarHBondContact O-N 3.28Å; K535-R539 PolarHBondContact O-N 2.85Å | ||
| 536 | L | 94.8 | Very high | 90.1 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -53.3 | -42.1 | -176.6 | 179.4 | 62.4 | 0 | 0 | 0 | 112.6 | L430 L464 L530 F531 S534 R538 R539 I540 L567 | L430-L536 HydrophobicContact CD2-CD1 3.71Å; L464-L536 HydrophobicContact CD1-CD1 4.31Å; L464-L536 HydrophobicContact CD1-CD2 4.4Å; L530-L536 HydrophobicContact CB-CD2 4.26Å; L530-L536 HydrophobicContact CD1-CD2 4.17Å; L530-L536 WeakPolarHBondContact O-CB 3.49Å; L530-L536 PolarHBondContact O-N 2.73Å; L530-L536 VanDerWaalsContact O-N 3.11Å; F531-L536 HydrophobicContact CE1-CD2 4.45Å; F531-L536 HydrophobicContact CZ-CD2 4.48Å; S534-L536 PolarHBondContact O-N 3.14Å; L536-R538 VanDerWaalsContact C-N 3.32Å; L536-R538 PolarHBondContact O-N 2.95Å; L536-R539 WeakPolarHBondContact O-CB 3.02Å; L536-R539 PolarHBondContact O-N 3.31Å; L536-I540 HydrophobicContact CD1-CD1 4.38Å; L536-I540 HydrophobicContact CD1-CG1 4.5Å; L536-I540 HydrophobicContact CG-CD1 3.93Å; L536-I540 HydrophobicContact CG-CG1 4.49Å; L536-I540 WeakPolarHBondContact O-CG1 3.33Å; L536-I540 PolarHBondContact O-N 3.2Å; L536-L567 HydrophobicContact CD2-CD2 4.08Å |
| 537 | A | 93.8 | Very high | 89.3 | Confident | 3 Ų | 3 | 42.1 Ų | 42.1 | 3% | 0.025 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58 | -40.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | F531 K535 R539 I540 A541 I582 T585 L588 | F531-A537 HydrophobicContact CD1-CB 4.19Å; K535-A537 VanDerWaalsContact C-N 3.26Å; K535-A537 PolarHBondContact O-N 3.16Å; A537-R539 VanDerWaalsContact C-N 3.28Å; A537-R539 PolarHBondContact O-N 3.15Å; A537-I540 PolarHBondContact O-N 3.34Å; A537-A541 WeakPolarHBondContact O-CB 3.41Å; A537-A541 PolarHBondContact O-N 3.48Å; A537-I582 HydrophobicContact CB-CG1 4.37Å; A537-I582 HydrophobicContact CB-CG2 4.16Å; A537-T585 HydrophobicContact CB-CG2 3.64Å; A537-L588 HydrophobicContact CB-CD2 4.22Å |
| 538 | R | 92 | Very high | 88.2 | Confident | 155 Ų | 155 | 52.5 Ų | 52.5 | 59% | 0.585 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -64.3 | -34.4 | 175.7 | -175.4 | 176.1 | 179.5 | 176.3 | -0.4 | 111.7 | K535 L536 W542 | K535-R538 HydrophobicContact CB-CB 4.36Å; K535-R538 WeakPolarHBondContact O-CB 3.31Å; K535-R538 PolarHBondContact O-N 3.28Å; L536-R538 VanDerWaalsContact C-N 3.32Å; L536-R538 PolarHBondContact O-N 2.95Å; R538-W542 PolarHBondContact O-N 2.66Å |
| 539 | R | 90.5 | Very high | 87 | Confident | 53 Ų | 53 | 52.6 Ų | 52.6 | 20% | 0.2 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -72.3 | -40.7 | 177 | -165.6 | 65.6 | 160.2 | 165.8 | -0.5 | 112 | R427 D431 K535 L536 A537 A541 W542 L543 | R427-R539 VanDerWaalsContact NH1-CB 3.27Å; D431-R539 PolarHBondContact O-NH2 2.88Å; D431-R539 VanDerWaalsContact OD1-CD 3.27Å; D431-R539 WeakPolarHBondContact OD1-CD 3.31Å; D431-R539 VanDerWaalsContact OD1-CG 3.31Å; D431-R539 WeakPolarHBondContact OD1-CG 3.19Å; D431-R539 IonicContact OD1-CZ 3.12Å; D431-R539 IonicContact OD1-NE 3.64Å; D431-R539 PolarHBondContact OD1-NE 3.35Å; K535-R539 PolarHBondContact O-N 2.85Å; L536-R539 WeakPolarHBondContact O-CB 3.02Å; L536-R539 PolarHBondContact O-N 3.31Å; A537-R539 VanDerWaalsContact C-N 3.28Å; A537-R539 PolarHBondContact O-N 3.15Å; R539-A541 VanDerWaalsContact C-N 3.3Å; R539-A541 PolarHBondContact O-N 2.88Å; R539-W542 PolarHBondContact O-N 2.6Å; R539-L543 WeakPolarHBondContact O-CB 3.37Å; R539-L543 PolarHBondContact O-N 3.43Å |
| 540 | I | 93.1 | Very high | 86.1 | Confident | 5 Ų | 5 | 56 Ų | 56 | 3% | 0.026 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.8 | -44.7 | 172.9 | -65.6 | 164.6 | 0 | 0 | 0 | 109.7 | L536 A537 W542 L543 L544 L564 L588 | L536-I540 HydrophobicContact CD1-CD1 4.38Å; L536-I540 HydrophobicContact CD1-CG1 4.5Å; L536-I540 HydrophobicContact CG-CD1 3.93Å; L536-I540 HydrophobicContact CG-CG1 4.49Å; L536-I540 WeakPolarHBondContact O-CG1 3.33Å; L536-I540 PolarHBondContact O-N 3.2Å; A537-I540 PolarHBondContact O-N 3.34Å; I540-W542 VanDerWaalsContact C-N 3.34Å; I540-W542 PolarHBondContact O-N 2.83Å; I540-L543 WeakPolarHBondContact O-CB 3.39Å; I540-L543 PolarHBondContact O-N 3.44Å; I540-L544 HydrophobicContact CG2-CD1 3.83Å; I540-L544 HydrophobicContact CG2-CG 4.4Å; I540-L544 WeakPolarHBondContact O-CG 3.36Å; I540-L544 PolarHBondContact O-N 3.43Å; I540-L564 HydrophobicContact CD1-CD1 3.82Å; I540-L564 HydrophobicContact CG1-CD1 4.22Å; I540-L564 HydrophobicContact CG2-CD1 3.88Å; I540-L564 HydrophobicContact CG2-CD2 4.37Å; I540-L588 HydrophobicContact CB-CD1 4.24Å; I540-L588 HydrophobicContact CG2-CD1 3.65Å |
| 541 | A | 91.2 | Very high | 84.9 | Confident | 5 Ų | 5 | 56.2 Ų | 56.2 | 4% | 0.041 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.3 | -43.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | A537 R539 L543 L544 A545 L588 | A537-A541 WeakPolarHBondContact O-CB 3.41Å; A537-A541 PolarHBondContact O-N 3.48Å; R539-A541 VanDerWaalsContact C-N 3.3Å; R539-A541 PolarHBondContact O-N 2.88Å; A541-L543 VanDerWaalsContact C-N 3.32Å; A541-L543 PolarHBondContact O-N 3.25Å; A541-L544 PolarHBondContact O-N 3.41Å; A541-A545 WeakPolarHBondContact O-CB 3.08Å; A541-A545 PolarHBondContact O-N 3.21Å; A541-L588 HydrophobicContact CB-CB 3.91Å; A541-L588 HydrophobicContact CB-CD1 4.2Å |
| 542 | W | 87.1 | Confident | 84 | Confident | 99 Ų | 99 | 57.2 Ų | 57.2 | 38% | 0.375 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.7 | -35.7 | 176.6 | -172.3 | -80.3 | 0 | 0 | 0 | 113.4 | R538 R539 I540 R550 | R538-W542 PolarHBondContact O-N 2.66Å; R539-W542 PolarHBondContact O-N 2.6Å; I540-W542 VanDerWaalsContact C-N 3.34Å; I540-W542 PolarHBondContact O-N 2.83Å; W542-R550 HydrophobicContact CZ2-CG 4.39Å |
| 543 | L | 88.9 | Confident | 83.5 | Confident | 3 Ų | 3 | 54.7 Ų | 54.7 | 2% | 0.016 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.7 | -44.3 | 177.7 | 170.6 | 65.4 | 0 | 0 | 0 | 111.6 | V434 L437 V457 I461 R539 I540 A541 A551 G552 V553 L555 | V434-L543 HydrophobicContact CG2-CD1 4.23Å; L437-L543 HydrophobicContact CD1-CD1 4.46Å; V457-L543 HydrophobicContact CG1-CD1 4.28Å; V457-L543 HydrophobicContact CG1-CD2 3.57Å; I461-L543 HydrophobicContact CD1-CD2 4.47Å; R539-L543 WeakPolarHBondContact O-CB 3.37Å; R539-L543 PolarHBondContact O-N 3.43Å; I540-L543 WeakPolarHBondContact O-CB 3.39Å; I540-L543 PolarHBondContact O-N 3.44Å; A541-L543 VanDerWaalsContact C-N 3.32Å; A541-L543 PolarHBondContact O-N 3.25Å; L543-A551 HydrophobicContact CD1-CB 4.34Å; L543-G552 PolarHBondContact O-N 3Å; L543-V553 HydrophobicContact CD1-CB 3.85Å; L543-V553 HydrophobicContact CD1-CG1 4.26Å; L543-V553 HydrophobicContact CD1-CG2 4.01Å; L543-V553 PolarHBondContact O-N 3.29Å; L543-V553 VanDerWaalsContact O-N 3.08Å; L543-L555 HydrophobicContact CD2-CD2 4.25Å |
| 544 | L | 89 | Confident | 83.1 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -88.5 | -36.7 | -172.9 | -63 | 178.1 | 0 | 0 | 0 | 113.8 | I540 A541 L555 L564 A591 L592 Y596 | I540-L544 HydrophobicContact CG2-CD1 3.83Å; I540-L544 HydrophobicContact CG2-CG 4.4Å; I540-L544 WeakPolarHBondContact O-CG 3.36Å; I540-L544 PolarHBondContact O-N 3.43Å; A541-L544 PolarHBondContact O-N 3.41Å; L544-L555 HydrophobicContact CD2-CD1 3.97Å; L544-L555 HydrophobicContact CD2-CG 4Å; L544-L564 HydrophobicContact CD1-CD2 4.09Å; L544-A591 HydrophobicContact CB-CB 3.95Å; L544-L592 HydrophobicContact CD1-CD2 3.64Å; L544-L592 HydrophobicContact CD1-CG 4.24Å; L544-Y596 HydrophobicContact CD2-CE2 4.2Å |
| 545 | A | 86.1 | Confident | 83 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -67.5 | 134.5 | -169.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A541 E587 A591 | A541-A545 WeakPolarHBondContact O-CB 3.08Å; A541-A545 PolarHBondContact O-N 3.21Å; A545-E587 HydrophobicContact CB-CB 3.75Å; A545-E587 HydrophobicContact CB-CG 4.49Å; A545-A591 HydrophobicContact CB-CB 4.2Å |
| 546 | P | 78.1 | Confident | 82.8 | Confident | 81 Ų | 81 | 46.1 Ų | 46.1 | 53% | 0.526 | 25% | 0.252 | S | S | . | . | trans | -68.4 | 149.2 | 174.3 | 28.3 | -33.7 | 0 | 0 | 0 | 111.3 | ||||
| 547 | G | 72.8 | Confident | 82.2 | Confident | 47 Ų | 47 | 46.6 Ų | 46.6 | 49% | 0.485 | 26% | 0.256 | S | S | . | . | S | Bend | trans | 156.1 | 158.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | G549 R550 | G547-G549 PolarHBondContact O-N 2.79Å; G547-R550 PolarHBondContact O-N 3.42Å; G547-R550 VanDerWaalsContact O-N 3.15Å |
| 548 | K | 68.8 | Low | 81.7 | Confident | 219 Ų | 219 | 48.9 Ų | 48.9 | 95% | 0.952 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | 126.6 | 173.4 | -71.2 | -177 | 179.1 | 179.4 | 0 | 109.8 | R550 | K548-R550 VanDerWaalsContact C-N 3.31Š|
| 549 | G | 66.3 | Low | 81.5 | Confident | 59 Ų | 59 | 41.5 Ų | 41.5 | 61% | 0.608 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.5 | 3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | G547 | G547-G549 PolarHBondContact O-N 2.79Š|
| 550 | R | 70.9 | Confident | 81.4 | Confident | 83 Ų | 83 | 39 Ų | 39 | 31% | 0.313 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -101 | 160.7 | 171.9 | -64.9 | -174.6 | 179.2 | 173.3 | -1.5 | 110.7 | W542 G547 K548 | W542-R550 HydrophobicContact CZ2-CG 4.39Å; G547-R550 PolarHBondContact O-N 3.42Å; G547-R550 VanDerWaalsContact O-N 3.15Å; K548-R550 VanDerWaalsContact C-N 3.31Å |
| 551 | A | 68 | Low | 81 | Confident | 4 Ų | 4 | 39 Ų | 39 | 3% | 0.033 | 23% | 0.231 | C | C | . | . | trans | -70.3 | -41.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | T438 N441 L543 V553 | T438-A551 HydrophobicContact CG2-CB 3.78Å; N441-A551 PolarHBondContact ND2-O 3.44Å; L543-A551 HydrophobicContact CD1-CB 4.34Å; A551-V553 VanDerWaalsContact C-N 3.31Å; A551-V553 HydrophobicContact CB-CG2 3.69Å; A551-V553 PolarHBondContact O-N 2.69Å | ||
| 552 | G | 73.9 | Confident | 80.7 | Confident | 36 Ų | 36 | 39.6 Ų | 39.6 | 37% | 0.371 | 23% | 0.234 | S | C | . | . | trans | 57 | 43.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L543 | L543-G552 PolarHBondContact O-N 3Š| ||
| 553 | V | 79.1 | Confident | 80.8 | Confident | 10 Ų | 10 | 35.6 Ų | 35.6 | 6% | 0.061 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -90.4 | 134.4 | -167.3 | 168.6 | 0 | 0 | 0 | 0 | 111.2 | L437 L454 L543 A551 L555 | L437-V553 HydrophobicContact CD1-CG2 4.44Å; L454-V553 HydrophobicContact CD1-CG1 3.26Å; L543-V553 HydrophobicContact CD1-CB 3.85Å; L543-V553 HydrophobicContact CD1-CG1 4.26Å; L543-V553 HydrophobicContact CD1-CG2 4.01Å; L543-V553 PolarHBondContact O-N 3.29Å; L543-V553 VanDerWaalsContact O-N 3.08Å; A551-V553 VanDerWaalsContact C-N 3.31Å; A551-V553 HydrophobicContact CB-CG2 3.69Å; A551-V553 PolarHBondContact O-N 2.69Å; V553-L555 HydrophobicContact CG1-CD2 4.49Å |
| 554 | C | 80.9 | Confident | 81.1 | Confident | 43 Ų | 43 | 35.5 Ų | 35.5 | 29% | 0.291 | 22% | 0.218 | S | C | . | . | P | Polyproline II helix | trans | -88.2 | 117.2 | 163.9 | -173.6 | 0 | 0 | 0 | 0 | 109.9 | N622 | C554-N622 HydrophobicContact CB-CB 4.42Å; C554-N622 VanDerWaalsContact SG-CB 3.59Å |
| 555 | L | 87.2 | Confident | 81.2 | Confident | 4 Ų | 4 | 35.7 Ų | 35.7 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | P | Polyproline II helix | trans | -66.6 | 162.2 | 171.9 | -58.4 | 175.6 | 0 | 0 | 0 | 112.4 | I461 L543 L544 V553 A559 A560 L564 Y596 | I461-L555 HydrophobicContact CD1-CD1 4.36Å; I461-L555 HydrophobicContact CD1-CD2 4.26Å; L543-L555 HydrophobicContact CD2-CD2 4.25Å; L544-L555 HydrophobicContact CD2-CD1 3.97Å; L544-L555 HydrophobicContact CD2-CG 4Å; V553-L555 HydrophobicContact CG1-CD2 4.49Å; L555-A559 HydrophobicContact CB-CB 4.08Å; L555-A559 HydrophobicContact CD1-CB 4.49Å; L555-A560 HydrophobicContact CB-CB 4.19Å; L555-L564 HydrophobicContact CD1-CD2 3.67Å; L555-Y596 WeakPolarHBondContact CB-OH 3.3Å; L555-Y596 PolarHBondContact N-OH 3.18Å |
| 556 | T | 85.6 | Confident | 81.4 | Confident | 59 Ų | 59 | 36.4 Ų | 36.4 | 36% | 0.362 | 23% | 0.225 | S | C | . | . | P | Polyproline II helix | trans | -69 | 165.1 | 171.7 | 51.6 | 0 | 0 | 0 | 0 | 112 | I458 D558 A559 A560 | I458-T556 HydrophobicContact CD1-CG2 3.47Å; I458-T556 VanDerWaalsContact CD1-CG2 3.47Å; I458-T556 WeakPolarHBondContact CD1-OG1 3.49Å; T556-D558 PolarHBondContact O-N 3.21Å; T556-A559 PolarHBondContact O-N 3.05Å; T556-A559 WeakPolarHBondContact OG1-CB 3.44Å; T556-A560 WeakPolarHBondContact O-CB 3.47Å; T556-A560 PolarHBondContact O-N 3.28Å |
| 557 | A | 82.3 | Confident | 82.1 | Confident | 10 Ų | 10 | 32.7 Ų | 32.7 | 8% | 0.083 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -50 | -52.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A559 G561 L618 V621 | A557-A559 PolarHBondContact O-N 2.85Å; A557-G561 WeakPolarHBondContact O-CA 3.46Å; A557-G561 PolarHBondContact O-N 3.47Å; A557-L618 HydrophobicContact CB-CB 4.39Å; A557-L618 HydrophobicContact CB-CD2 3.82Å; A557-L618 WeakPolarHBondContact CB-O 3.32Å; A557-V621 HydrophobicContact CB-CG2 3.94Å; A557-V621 VanDerWaalsContact N-CG2 3.3Å |
| 558 | D | 84.2 | Confident | 83.1 | Confident | 51 Ų | 51 | 30.5 Ų | 30.5 | 27% | 0.273 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -64.1 | -43.9 | -177.7 | -47.4 | -22.6 | 0 | 0 | 0 | 111.6 | T556 L562 W563 C1000 | T556-D558 PolarHBondContact O-N 3.21Å; D558-L562 WeakPolarHBondContact O-CA 3.39Å; D558-L562 VanDerWaalsContact O-CB 3.25Å; D558-L562 WeakPolarHBondContact O-CB 3.36Å; D558-L562 PolarHBondContact O-N 3.08Å; D558-W563 HydrophobicContact CB-CE3 4.21Å; D558-W563 HydrophobicContact CB-CH2 3.4Å; D558-W563 HydrophobicContact CB-CZ2 3.88Å; D558-W563 HydrophobicContact CB-CZ3 3.59Å; D558-W563 PolarHBondContact O-N 3.16Å; D558-C1000 PolarHBondContact OD1-SG 3.3Å |
| 559 | A | 87.9 | Confident | 84.2 | Confident | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | I | π-helix | trans | -67 | -44.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I458 L555 T556 A557 W563 L564 | I458-A559 HydrophobicContact CG1-CB 4.22Å; I458-A559 HydrophobicContact CG2-CB 4.12Å; L555-A559 HydrophobicContact CB-CB 4.08Å; L555-A559 HydrophobicContact CD1-CB 4.49Å; T556-A559 PolarHBondContact O-N 3.05Å; T556-A559 WeakPolarHBondContact OG1-CB 3.44Å; A557-A559 PolarHBondContact O-N 2.85Å; A559-W563 VanDerWaalsContact CA-CE3 3.49Å; A559-W563 HydrophobicContact CB-CE3 3.86Å; A559-W563 HydrophobicContact CB-CZ3 4.19Å; A559-L564 WeakPolarHBondContact O-CB 3.31Å; A559-L564 PolarHBondContact O-N 3.3Å |
| 560 | A | 88.2 | Confident | 85.4 | Confident | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 11% | 0.105 | C | C | . | . | I | π-helix | trans | -76 | -31.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L555 T556 P565 Y596 V621 L626 | L555-A560 HydrophobicContact CB-CB 4.19Å; T556-A560 WeakPolarHBondContact O-CB 3.47Å; T556-A560 PolarHBondContact O-N 3.28Å; A560-P565 VanDerWaalsContact O-CD 3.27Å; A560-P565 WeakPolarHBondContact O-CD 3.29Å; A560-P565 WeakPolarHBondContact O-CG 2.94Å; A560-Y596 HydrophobicContact CB-CD1 4.07Å; A560-Y596 HydrophobicContact CB-CE1 3.66Å; A560-Y596 HydrophobicContact CB-CE2 4.33Å; A560-V621 HydrophobicContact CB-CG1 4.04Å; A560-L626 HydrophobicContact CB-CD1 3.91Å |
| 561 | G | 84.7 | Confident | 86.4 | Confident | 5 Ų | 5 | 13.6 Ų | 13.6 | 5% | 0.052 | 9% | 0.09 | C | C | . | . | I | π-helix | trans | -90.9 | -27.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | A557 S628 | A557-G561 WeakPolarHBondContact O-CA 3.46Å; A557-G561 PolarHBondContact O-N 3.47Å; G561-S628 WeakPolarHBondContact O-CB 3.33Å; G561-S628 PolarHBondContact O-OG 3.04Å |
| 562 | L | 85.1 | Confident | 87.5 | Confident | 19 Ų | 19 | 13.4 Ų | 13.4 | 10% | 0.099 | 9% | 0.088 | C | C | . | . | I | π-helix | trans | -121.6 | -70.8 | -173.7 | -172.8 | 63.7 | 0 | 0 | 0 | 112.6 | D558 P565 S566 E999 V1003 | D558-L562 WeakPolarHBondContact O-CA 3.39Å; D558-L562 VanDerWaalsContact O-CB 3.25Å; D558-L562 WeakPolarHBondContact O-CB 3.36Å; D558-L562 PolarHBondContact O-N 3.08Å; L562-P565 WeakPolarHBondContact O-CD 3.39Å; L562-S566 WeakPolarHBondContact O-CB 3.31Å; L562-S566 PolarHBondContact O-N 2.87Å; L562-S566 PolarHBondContact O-OG 3.07Å; L562-S566 VanDerWaalsContact O-OG 3.09Å; L562-E999 HydrophobicContact CD2-CB 3.63Å; L562-E999 WeakPolarHBondContact CD2-O 3.33Å; L562-V1003 HydrophobicContact CB-CG2 3.54Å; L562-V1003 HydrophobicContact CD1-CG2 3.7Å; L562-V1003 HydrophobicContact CD2-CG2 4.28Å; L562-V1003 HydrophobicContact CG-CG2 4.03Å |
| 563 | W | 89.7 | Confident | 88.2 | Confident | 14 Ų | 14 | 12.2 Ų | 12.2 | 5% | 0.053 | 7% | 0.072 | C | C | . | . | I | π-helix | trans | -71.2 | -44.5 | -164.2 | -55.8 | -47.1 | 0 | 0 | 0 | 113.4 | I458 I461 R462 A465 D558 A559 S566 L567 E999 | I458-W563 HydrophobicContact CG2-CE3 4.23Å; I458-W563 HydrophobicContact CG2-CZ3 3.62Å; I461-W563 HydrophobicContact CG2-CB 3.88Å; R462-W563 HydrophobicContact CB-CD2 3.76Å; R462-W563 HydrophobicContact CB-CE3 3.83Å; R462-W563 HydrophobicContact CB-CG 4.22Å; R462-W563 HydrophobicContact CB-CH2 4.48Å; R462-W563 HydrophobicContact CB-CZ2 4.37Å; R462-W563 HydrophobicContact CB-CZ3 4.22Å; R462-W563 HydrophobicContact CG-CD2 3.82Å; R462-W563 HydrophobicContact CG-CE3 4.26Å; R462-W563 HydrophobicContact CG-CG 4.27Å; R462-W563 HydrophobicContact CG-CH2 4.27Å; R462-W563 HydrophobicContact CG-CZ2 3.78Å; R462-W563 HydrophobicContact CG-CZ3 4.48Å; A465-W563 HydrophobicContact CB-CB 3.87Å; A465-W563 HydrophobicContact CB-CG 4.42Å; D558-W563 HydrophobicContact CB-CE3 4.21Å; D558-W563 HydrophobicContact CB-CH2 3.4Å; D558-W563 HydrophobicContact CB-CZ2 3.88Å; D558-W563 HydrophobicContact CB-CZ3 3.59Å; D558-W563 PolarHBondContact O-N 3.16Å; A559-W563 VanDerWaalsContact CA-CE3 3.49Å; A559-W563 HydrophobicContact CB-CE3 3.86Å; A559-W563 HydrophobicContact CB-CZ3 4.19Å; W563-S566 WeakPolarHBondContact CA-OG 3.3Å; W563-S566 PolarHBondContact O-OG 2.62Å; W563-L567 WeakPolarHBondContact O-CB 3.44Å; W563-L567 PolarHBondContact O-N 2.99Å; W563-E999 HydrophobicContact CZ2-CB 4.29Å; W563-E999 WeakPolarHBondContact CZ2-OE2 3.33Å; W563-E999 PolarHBondContact NE1-OE2 2.67Å |
| 564 | L | 93.4 | Very high | 88.7 | Confident | 1 Ų | 1 | 11.8 Ų | 11.8 | 1% | 0.005 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -66.4 | -48.5 | 179 | 179.1 | 70.4 | 0 | 0 | 0 | 111.2 | I461 I540 L544 L555 A559 S566 L567 I568 L592 | I461-L564 HydrophobicContact CG2-CB 4.21Å; I540-L564 HydrophobicContact CD1-CD1 3.82Å; I540-L564 HydrophobicContact CG1-CD1 4.22Å; I540-L564 HydrophobicContact CG2-CD1 3.88Å; I540-L564 HydrophobicContact CG2-CD2 4.37Å; L544-L564 HydrophobicContact CD1-CD2 4.09Å; L555-L564 HydrophobicContact CD1-CD2 3.67Å; A559-L564 WeakPolarHBondContact O-CB 3.31Å; A559-L564 PolarHBondContact O-N 3.3Å; L564-S566 PolarHBondContact O-N 3.38Å; L564-L567 PolarHBondContact O-N 3.35Å; L564-I568 HydrophobicContact CD1-CD1 4.01Å; L564-I568 HydrophobicContact CD1-CG1 4.35Å; L564-I568 HydrophobicContact CG-CD1 3.99Å; L564-I568 WeakPolarHBondContact O-CG1 3.25Å; L564-I568 PolarHBondContact O-N 3.23Å; L564-L592 HydrophobicContact CD2-CD2 4.14Å |
| 565 | P | 92.3 | Very high | 89 | Confident | 4 Ų | 4 | 9.7 Ų | 9.7 | 3% | 0.026 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -59.1 | -45.3 | 174.1 | -24.8 | 34.3 | 0 | 0 | 0 | 113.3 | A560 L562 L567 I568 I569 I629 L632 | A560-P565 VanDerWaalsContact O-CD 3.27Å; A560-P565 WeakPolarHBondContact O-CD 3.29Å; A560-P565 WeakPolarHBondContact O-CG 2.94Å; L562-P565 WeakPolarHBondContact O-CD 3.39Å; P565-L567 VanDerWaalsContact C-N 3.31Å; P565-L567 PolarHBondContact O-N 3.39Å; P565-I568 PolarHBondContact O-N 2.89Å; P565-I569 WeakPolarHBondContact O-CB 3.07Å; P565-I569 WeakPolarHBondContact O-CG1 3.09Å; P565-I569 PolarHBondContact O-N 3.23Å; P565-I629 HydrophobicContact CG-CD1 3.87Å; P565-L632 HydrophobicContact CB-CD1 4.04Å; P565-L632 HydrophobicContact CB-CG 4.21Å; P565-L632 HydrophobicContact CG-CD1 4.45Å |
| 566 | S | 89.9 | Confident | 89 | Confident | 15 Ų | 15 | 12.6 Ų | 12.6 | 11% | 0.105 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -60.6 | -42.6 | 179.5 | 63.7 | 0 | 0 | 0 | 0 | 111.7 | C469 L562 W563 L564 I569 R570 | C469-S566 PolarHBondContact SG-O 3.26Å; L562-S566 WeakPolarHBondContact O-CB 3.31Å; L562-S566 PolarHBondContact O-N 2.87Å; L562-S566 PolarHBondContact O-OG 3.07Å; L562-S566 VanDerWaalsContact O-OG 3.09Å; W563-S566 WeakPolarHBondContact CA-OG 3.3Å; W563-S566 PolarHBondContact O-OG 2.62Å; L564-S566 PolarHBondContact O-N 3.38Å; S566-I569 PolarHBondContact O-N 3.01Å; S566-R570 WeakPolarHBondContact O-CB 3.09Å; S566-R570 PolarHBondContact O-N 3.44Å |
| 567 | L | 92.9 | Very high | 89 | Confident | 3 Ų | 3 | 12.2 Ų | 12.2 | 2% | 0.016 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -61.7 | -45.8 | 177.9 | -175.6 | 64.1 | 0 | 0 | 0 | 111.8 | L464 A465 F531 L536 W563 L564 P565 R570 G571 | L464-L567 HydrophobicContact CB-CD1 4.26Å; L464-L567 HydrophobicContact CB-CD2 4.09Å; A465-L567 HydrophobicContact CB-CB 4.42Å; F531-L567 HydrophobicContact CZ-CG 4.31Å; F531-L567 WeakPolarHBondContact CZ-O 3.37Å; L536-L567 HydrophobicContact CD2-CD2 4.08Å; W563-L567 WeakPolarHBondContact O-CB 3.44Å; W563-L567 PolarHBondContact O-N 2.99Å; L564-L567 PolarHBondContact O-N 3.35Å; P565-L567 VanDerWaalsContact C-N 3.31Å; P565-L567 PolarHBondContact O-N 3.39Å; L567-R570 PolarHBondContact O-N 2.96Å; L567-G571 PolarHBondContact O-N 3.23Å |
| 568 | I | 94.8 | Very high | 89.5 | Confident | 1 Ų | 1 | 11.8 Ų | 11.8 | 1% | 0.005 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -67.4 | -45.7 | 177.6 | -63.6 | 170.9 | 0 | 0 | 0 | 110.4 | L564 P565 R570 G571 L572 I582 L592 L632 W636 | L564-I568 HydrophobicContact CD1-CD1 4.01Å; L564-I568 HydrophobicContact CD1-CG1 4.35Å; L564-I568 HydrophobicContact CG-CD1 3.99Å; L564-I568 WeakPolarHBondContact O-CG1 3.25Å; L564-I568 PolarHBondContact O-N 3.23Å; P565-I568 PolarHBondContact O-N 2.89Å; I568-R570 VanDerWaalsContact C-N 3.26Å; I568-R570 PolarHBondContact O-N 3.37Å; I568-G571 CarbonylContact O-C 3.51Å; I568-G571 WeakPolarHBondContact O-CA 3.46Å; I568-G571 PolarHBondContact O-N 3.09Å; I568-L572 HydrophobicContact CG2-CD1 4.26Å; I568-L572 HydrophobicContact CG2-CG 4.12Å; I568-L572 WeakPolarHBondContact O-CG 2.83Å; I568-L572 PolarHBondContact O-N 3Å; I568-I582 HydrophobicContact CG2-CG2 4.28Å; I568-L592 HydrophobicContact CD1-CD1 4.2Å; I568-L632 HydrophobicContact CB-CD2 3.77Å; I568-L632 HydrophobicContact CD1-CD1 4.46Å; I568-L632 HydrophobicContact CG2-CD2 3.58Å; I568-W636 HydrophobicContact CG2-CH2 4.43Å |
| 569 | I | 91.7 | Very high | 89.8 | Confident | 3 Ų | 3 | 9.3 Ų | 9.3 | 2% | 0.015 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -54.9 | -44 | 177.2 | -72.3 | 172.2 | 0 | 0 | 0 | 110.7 | P565 S566 G571 L572 R573 R631 L632 I635 | P565-I569 WeakPolarHBondContact O-CB 3.07Å; P565-I569 WeakPolarHBondContact O-CG1 3.09Å; P565-I569 PolarHBondContact O-N 3.23Å; S566-I569 PolarHBondContact O-N 3.01Å; I569-G571 VanDerWaalsContact C-N 3.28Å; I569-G571 PolarHBondContact O-N 3.22Å; I569-L572 PolarHBondContact O-N 2.87Å; I569-L572 VanDerWaalsContact O-N 3.12Å; I569-R573 HydrophobicContact CG2-CG 4.32Å; I569-R573 WeakPolarHBondContact O-CB 3.4Å; I569-R573 PolarHBondContact O-N 2.64Å; I569-R631 HydrophobicContact CD1-CG 3.96Å; I569-L632 HydrophobicContact CD1-CD2 4.27Å; I569-L632 HydrophobicContact CG1-CD2 3.45Å; I569-L632 VanDerWaalsContact CG1-CD2 3.45Å; I569-L632 HydrophobicContact CG1-CG 4.26Å; I569-I635 HydrophobicContact CB-CD1 4.44Å; I569-I635 HydrophobicContact CD1-CD1 3.87Å; I569-I635 HydrophobicContact CG1-CD1 3.86Å; I569-I635 HydrophobicContact CG2-CD1 3.76Å |
| 570 | R | 90.6 | Very high | 90 | Very high | 3 Ų | 3 | 14.7 Ų | 14.7 | 1% | 0.011 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -61 | -39.4 | 176.9 | -175.1 | 68.1 | -169.4 | 113.9 | 13.1 | 111.7 | I468 C469 E474 I495 S566 L567 I568 H574 P954 Y956 | I468-R570 HydrophobicContact CG2-CG 3.76Å; C469-R570 VanDerWaalsContact SG-CB 3.58Å; E474-R570 WeakPolarHBondContact OE1-CD 3.45Å; I495-R570 PolarHBondContact O-NH1 3.39Å; I495-R570 PolarHBondContact O-NH2 2.95Å; I495-R570 VanDerWaalsContact O-NH2 3.11Å; S566-R570 WeakPolarHBondContact O-CB 3.09Å; S566-R570 PolarHBondContact O-N 3.44Å; L567-R570 PolarHBondContact O-N 2.96Å; I568-R570 VanDerWaalsContact C-N 3.26Å; I568-R570 PolarHBondContact O-N 3.37Å; R570-H574 PolarHBondContact O-N 3.11Å; R570-H574 VanDerWaalsContact O-N 3.12Å; R570-P954 VanDerWaalsContact NH2-CD 3.28Å; R570-Y956 PolarHBondContact NH1-OH 3.32Å |
| 571 | G | 91.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63.5 | -43.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L567 I568 I569 H574 T578 | L567-G571 PolarHBondContact O-N 3.23Å; I568-G571 CarbonylContact O-C 3.51Å; I568-G571 WeakPolarHBondContact O-CA 3.46Å; I568-G571 PolarHBondContact O-N 3.09Å; I569-G571 VanDerWaalsContact C-N 3.28Å; I569-G571 PolarHBondContact O-N 3.22Å; G571-H574 VanDerWaalsContact O-CB 3.24Å; G571-H574 WeakPolarHBondContact O-CB 3.34Å; G571-H574 PolarHBondContact O-N 3.26Å; G571-T578 PolarHBondContact O-OG1 2.96Å; G571-T578 VanDerWaalsContact O-OG1 3.12Å |
| 572 | L | 91.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -66 | -39.4 | 178 | -62.1 | -175.4 | 0 | 0 | 0 | 112.7 | I568 I569 H574 A579 I582 L632 I635 W636 I639 | I568-L572 HydrophobicContact CG2-CD1 4.26Å; I568-L572 HydrophobicContact CG2-CG 4.12Å; I568-L572 WeakPolarHBondContact O-CG 2.83Å; I568-L572 PolarHBondContact O-N 3Å; I569-L572 PolarHBondContact O-N 2.87Å; I569-L572 VanDerWaalsContact O-N 3.12Å; L572-H574 PolarHBondContact O-N 3.26Å; L572-A579 HydrophobicContact CD2-CB 3.95Å; L572-I582 HydrophobicContact CD2-CB 4.28Å; L572-I582 HydrophobicContact CD2-CD1 4.13Å; L572-I582 HydrophobicContact CD2-CG2 4.37Å; L572-L632 HydrophobicContact CD1-CD2 4.24Å; L572-I635 HydrophobicContact CB-CG2 4.1Å; L572-I635 HydrophobicContact CD1-CG2 4.13Å; L572-W636 HydrophobicContact CD1-CD2 3.78Å; L572-W636 HydrophobicContact CD1-CE3 4.21Å; L572-W636 HydrophobicContact CD1-CG 3.89Å; L572-W636 HydrophobicContact CD2-CD2 4.17Å; L572-W636 HydrophobicContact CD2-CG 4.28Å; L572-W636 HydrophobicContact CD2-CZ2 4.03Å; L572-I639 HydrophobicContact CB-CD1 3.99Å |
| 573 | R | 88.1 | Confident | 91.1 | Very high | 12 Ų | 12 | 19.5 Ų | 19.5 | 5% | 0.045 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -10.1 | 176.5 | -75.2 | -178.2 | 168.1 | 175.7 | -8.9 | 112.6 | E474 L477 F494 I495 I569 | E474-R573 PolarHBondContact O-NH1 2.9Å; E474-R573 IonicContact OE2-CZ 2.93Å; E474-R573 IonicContact OE2-NE 3.23Å; E474-R573 IonicContact OE2-NH1 3.71Å; E474-R573 PolarHBondContact OE2-NH1 3.45Å; L477-R573 VanDerWaalsContact CG-CZ 3.46Å; F494-R573 CarbonylContact C-O 3.29Å; F494-R573 VanDerWaalsContact CA-O 3.28Å; F494-R573 WeakPolarHBondContact CA-O 3.34Å; I495-R573 HydrophobicContact CD1-CB 4.29Å; I495-R573 HydrophobicContact CG1-CB 4.49Å; I495-R573 PolarHBondContact N-O 3.39Å; I569-R573 HydrophobicContact CG2-CG 4.32Å; I569-R573 WeakPolarHBondContact O-CB 3.4Å; I569-R573 PolarHBondContact O-N 2.64Å |
| 574 | H | 90.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -56.2 | 176.2 | -174.1 | -97.2 | 0 | 0 | 0 | 110.7 | A496 P497 D525 V527 R570 G571 L572 | A496-H574 WeakPolarHBondContact CB-NE2 3.43Å; A496-H574 WeakPolarHBondContact CB-O 3.47Å; A496-H574 PolarHBondContact N-O 3.39Å; P497-H574 WeakPolarHBondContact CD-NE2 3.35Å; D525-H574 IonicContact OD1-CE1 2.7Å; D525-H574 IonicContact OD1-NE2 3.79Å; D525-H574 PolarHBondContact OD1-NE2 2.62Å; D525-H574 IonicContact OD2-CE1 3.66Å; D525-H574 PolarHBondContact OD2-CE1 3.48Å; D525-H574 IonicContact OD2-NE2 2.63Å; D525-H574 PolarHBondContact OD2-NE2 2.85Å; V527-H574 HydrophobicContact CG1-CB 3.79Å; R570-H574 PolarHBondContact O-N 3.11Å; R570-H574 VanDerWaalsContact O-N 3.12Å; G571-H574 VanDerWaalsContact O-CB 3.24Å; G571-H574 WeakPolarHBondContact O-CB 3.34Å; G571-H574 PolarHBondContact O-N 3.26Å; L572-H574 PolarHBondContact O-N 3.26Å |
| 575 | S | 87.2 | Confident | 91.3 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | trans | -162.8 | 162.3 | -178.6 | 70.1 | 0 | 0 | 0 | 0 | 114.9 | F494 S577 T578 A579 P1267 | F494-S575 VanDerWaalsContact CD1-C 3.49Å; S575-S577 VanDerWaalsContact C-N 3.29Å; S575-S577 PolarHBondContact O-N 2.91Å; S575-S577 PolarHBondContact OG-OG 2.97Å; S575-T578 PolarHBondContact N-OG1 3.31Å; S575-T578 PolarHBondContact O-N 3.44Å; S575-T578 PolarHBondContact O-OG1 3.3Å; S575-T578 WeakPolarHBondContact OG-CB 3.46Å; S575-T578 VanDerWaalsContact OG-CG2 3.31Å; S575-T578 WeakPolarHBondContact OG-CG2 3.42Å; S575-T578 PolarHBondContact OG-N 3.33Å; S575-T578 PolarHBondContact OG-OG1 3.25Å; S575-A579 WeakPolarHBondContact O-CB 3.32Å; S575-A579 PolarHBondContact O-N 3.4Å; S575-P1267 VanDerWaalsContact CB-CG 3.45Å | ||
| 576 | S | 86.3 | Confident | 91.2 | Very high | 65 Ų | 65 | 32.1 Ų | 32.1 | 46% | 0.455 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -60.5 | -38.8 | 171.3 | 57.9 | 0 | 0 | 0 | 0 | 112.5 | F494 Y580 | F494-S576 VanDerWaalsContact CE1-N 3.25Å; S576-Y580 WeakPolarHBondContact O-CB 3.37Å; S576-Y580 PolarHBondContact O-N 2.99Å |
| 577 | S | 87 | Confident | 91.2 | Very high | 50 Ų | 50 | 35.9 Ų | 35.9 | 35% | 0.35 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -64.8 | -50.4 | 178.3 | 55.8 | 0 | 0 | 0 | 0 | 112.2 | S575 Y580 E581 | S575-S577 VanDerWaalsContact C-N 3.29Å; S575-S577 PolarHBondContact O-N 2.91Å; S575-S577 PolarHBondContact OG-OG 2.97Å; S577-Y580 PolarHBondContact O-N 3.48Å; S577-E581 WeakPolarHBondContact O-CG 3.27Å; S577-E581 PolarHBondContact O-N 3.22Å |
| 578 | T | 91.1 | Very high | 91.3 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.006 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.3 | -43.1 | 177.3 | 50.8 | 0 | 0 | 0 | 0 | 111 | I532 G571 S575 Y580 E581 I582 | I532-T578 HydrophobicContact CD1-CG2 3.77Å; I532-T578 HydrophobicContact CG1-CG2 3.99Å; G571-T578 PolarHBondContact O-OG1 2.96Å; G571-T578 VanDerWaalsContact O-OG1 3.12Å; S575-T578 PolarHBondContact N-OG1 3.31Å; S575-T578 PolarHBondContact O-N 3.44Å; S575-T578 PolarHBondContact O-OG1 3.3Å; S575-T578 WeakPolarHBondContact OG-CB 3.46Å; S575-T578 VanDerWaalsContact OG-CG2 3.31Å; S575-T578 WeakPolarHBondContact OG-CG2 3.42Å; S575-T578 PolarHBondContact OG-N 3.33Å; S575-T578 PolarHBondContact OG-OG1 3.25Å; T578-Y580 VanDerWaalsContact C-N 3.33Å; T578-Y580 PolarHBondContact O-N 2.73Å; T578-E581 PolarHBondContact O-N 2.8Å; T578-I582 VanDerWaalsContact O-CG1 3.23Å; T578-I582 WeakPolarHBondContact O-CG1 3.49Å; T578-I582 PolarHBondContact O-N 2.83Å |
| 579 | A | 91.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.9 | -42.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | L572 S575 F583 W636 I639 | L572-A579 HydrophobicContact CD2-CB 3.95Å; S575-A579 WeakPolarHBondContact O-CB 3.32Å; S575-A579 PolarHBondContact O-N 3.4Å; A579-F583 WeakPolarHBondContact O-CB 3.5Å; A579-F583 PolarHBondContact O-N 3.07Å; A579-W636 PolarHBondContact O-NE1 2.94Å; A579-I639 HydrophobicContact CB-CD1 3.48Å; A579-I639 VanDerWaalsContact CB-CD1 3.48Å; A579-I639 HydrophobicContact CB-CG2 4Å |
| 580 | Y | 91.5 | Very high | 91.3 | Very high | 112 Ų | 112 | 37.6 Ų | 37.6 | 44% | 0.439 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -67.2 | -41.5 | 175.8 | -175.4 | -97.6 | 0 | 0 | 0 | 111.9 | S576 S577 T578 F583 R584 I643 | S576-Y580 WeakPolarHBondContact O-CB 3.37Å; S576-Y580 PolarHBondContact O-N 2.99Å; S577-Y580 PolarHBondContact O-N 3.48Å; T578-Y580 VanDerWaalsContact C-N 3.33Å; T578-Y580 PolarHBondContact O-N 2.73Å; Y580-F583 WeakPolarHBondContact O-CB 3.25Å; Y580-F583 PolarHBondContact O-N 3.09Å; Y580-R584 VanDerWaalsContact O-CB 3.3Å; Y580-R584 WeakPolarHBondContact O-CB 3.15Å; Y580-R584 PolarHBondContact O-N 2.89Å; Y580-I643 HydrophobicContact CD2-CD1 4.49Å |
| 581 | E | 91.1 | Very high | 91.3 | Very high | 89 Ų | 89 | 37.5 Ų | 37.5 | 42% | 0.416 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -62.9 | -42.1 | 175.8 | -76.9 | -61.5 | 144.1 | 0 | 0 | 112.2 | S577 T578 R584 T585 | S577-E581 WeakPolarHBondContact O-CG 3.27Å; S577-E581 PolarHBondContact O-N 3.22Å; T578-E581 PolarHBondContact O-N 2.8Å; E581-R584 PolarHBondContact O-N 3.21Å; E581-T585 WeakPolarHBondContact O-CG2 3.37Å; E581-T585 PolarHBondContact O-N 3.19Å |
| 582 | I | 95.7 | Very high | 91.4 | Very high | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.2 | -44.6 | 174.2 | -60.6 | 165.9 | 0 | 0 | 0 | 109.7 | F531 A537 I568 L572 T578 R584 T585 L588 W636 | F531-I582 HydrophobicContact CB-CD1 4.3Å; F531-I582 HydrophobicContact CB-CG1 4.31Å; F531-I582 HydrophobicContact CD1-CD1 3.5Å; F531-I582 VanDerWaalsContact CD1-CD1 3.5Å; F531-I582 HydrophobicContact CD1-CG1 3.63Å; F531-I582 HydrophobicContact CD2-CD1 4.3Å; F531-I582 HydrophobicContact CE1-CD1 3.78Å; F531-I582 HydrophobicContact CE1-CG1 4.2Å; F531-I582 HydrophobicContact CG-CD1 3.78Å; F531-I582 HydrophobicContact CG-CG1 4.12Å; F531-I582 HydrophobicContact CZ-CD1 4.3Å; A537-I582 HydrophobicContact CB-CG1 4.37Å; A537-I582 HydrophobicContact CB-CG2 4.16Å; I568-I582 HydrophobicContact CG2-CG2 4.28Å; L572-I582 HydrophobicContact CD2-CB 4.28Å; L572-I582 HydrophobicContact CD2-CD1 4.13Å; L572-I582 HydrophobicContact CD2-CG2 4.37Å; T578-I582 VanDerWaalsContact O-CG1 3.23Å; T578-I582 WeakPolarHBondContact O-CG1 3.49Å; T578-I582 PolarHBondContact O-N 2.83Å; I582-R584 VanDerWaalsContact C-N 3.34Å; I582-R584 PolarHBondContact O-N 2.97Å; I582-T585 WeakPolarHBondContact O-CB 3.45Å; I582-T585 PolarHBondContact O-N 3.31Å; I582-T585 PolarHBondContact O-OG1 2.94Å; I582-L588 HydrophobicContact CG2-CD2 3.84Å; I582-W636 HydrophobicContact CB-CZ2 4.4Å; I582-W636 HydrophobicContact CG2-CH2 4.35Å; I582-W636 HydrophobicContact CG2-CZ2 3.72Å |
| 583 | F | 95 | Very high | 91.5 | Very high | 34 Ų | 34 | 37.9 Ų | 37.9 | 15% | 0.149 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.3 | -42.2 | 177.2 | -176 | -105.5 | 0 | 0 | 0 | 112.5 | A579 Y580 T585 V589 W636 I643 A646 F647 | A579-F583 WeakPolarHBondContact O-CB 3.5Å; A579-F583 PolarHBondContact O-N 3.07Å; Y580-F583 WeakPolarHBondContact O-CB 3.25Å; Y580-F583 PolarHBondContact O-N 3.09Å; F583-T585 PolarHBondContact O-N 3.38Å; F583-V589 HydrophobicContact CD2-CG2 4Å; F583-V589 HydrophobicContact CE2-CG2 4.12Å; F583-W636 HydrophobicContact CB-CZ2 4.38Å; F583-W636 HydrophobicContact CD2-CD2 4.36Å; F583-W636 HydrophobicContact CD2-CG 4.43Å; F583-W636 HydrophobicContact CD2-CZ2 4.47Å; F583-W636 AromaticContact CD2-NE1 3.94Å; F583-I643 HydrophobicContact CB-CD1 4.36Å; F583-I643 HydrophobicContact CD1-CG1 4.06Å; F583-I643 HydrophobicContact CD2-CG2 3.89Å; F583-I643 HydrophobicContact CE1-CG1 4.4Å; F583-I643 HydrophobicContact CE2-CG2 3.92Å; F583-I643 HydrophobicContact CG-CD1 4.38Å; F583-I643 HydrophobicContact CG-CG1 4.2Å; F583-I643 HydrophobicContact CG-CG2 4.26Å; F583-I643 HydrophobicContact CZ-CG2 4.3Å; F583-A646 HydrophobicContact CE1-CB 4.08Å; F583-A646 HydrophobicContact CZ-CB 3.66Å; F583-F647 AromaticContact CD2-CE2 3.92Å; F583-F647 HydrophobicContact CD2-CE2 3.92Å; F583-F647 AromaticContact CE2-CD2 3.94Å; F583-F647 HydrophobicContact CE2-CD2 3.94Å; F583-F647 AromaticContact CE2-CE2 3.45Å; F583-F647 HydrophobicContact CE2-CE2 3.45Å; F583-F647 VanDerWaalsContact CE2-CE2 3.45Å; F583-F647 HydrophobicContact CE2-CZ 4.08Å; F583-F647 HydrophobicContact CZ-CE2 4.48Å |
| 584 | R | 93.2 | Very high | 91.6 | Very high | 165 Ų | 165 | 43 Ų | 43 | 62% | 0.623 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -67.8 | -14.9 | -179.5 | -169.6 | 179.4 | -179.8 | -168.4 | 2.6 | 112.8 | Y580 E581 I582 | Y580-R584 VanDerWaalsContact O-CB 3.3Å; Y580-R584 WeakPolarHBondContact O-CB 3.15Å; Y580-R584 PolarHBondContact O-N 2.89Å; E581-R584 PolarHBondContact O-N 3.21Å; I582-R584 VanDerWaalsContact C-N 3.34Å; I582-R584 PolarHBondContact O-N 2.97Å |
| 585 | T | 94.4 | Very high | 91.5 | Very high | 23 Ų | 23 | 44.4 Ų | 44.4 | 14% | 0.141 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -62.2 | 122.2 | 179.5 | 60.3 | 0 | 0 | 0 | 0 | 111.1 | A537 E581 I582 F583 E587 L588 | A537-T585 HydrophobicContact CB-CG2 3.64Å; E581-T585 WeakPolarHBondContact O-CG2 3.37Å; E581-T585 PolarHBondContact O-N 3.19Å; I582-T585 WeakPolarHBondContact O-CB 3.45Å; I582-T585 PolarHBondContact O-N 3.31Å; I582-T585 PolarHBondContact O-OG1 2.94Å; F583-T585 PolarHBondContact O-N 3.38Å; T585-E587 PolarHBondContact O-N 3.45Å; T585-L588 PolarHBondContact O-N 2.73Å; T585-L588 WeakPolarHBondContact OG1-CB 3.07Å; T585-L588 WeakPolarHBondContact OG1-CD2 3.38Å |
| 586 | P | 89.7 | Confident | 91.7 | Very high | 96 Ų | 96 | 44.4 Ų | 44.4 | 62% | 0.623 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | 140.9 | -172.6 | 27.5 | -35 | 0 | 0 | 0 | 110.2 | L588 | P586-L588 PolarHBondContact O-N 3.46Å; P586-L588 VanDerWaalsContact O-N 3.11Å |
| 587 | E | 89.4 | Confident | 92 | Very high | 95 Ų | 95 | 41.3 Ų | 41.3 | 44% | 0.444 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66 | -3.6 | 179 | -54.1 | -68.4 | 176.1 | 0 | 0 | 116.6 | A545 T585 S590 A591 | A545-E587 HydrophobicContact CB-CB 3.75Å; A545-E587 HydrophobicContact CB-CG 4.49Å; T585-E587 PolarHBondContact O-N 3.45Å; E587-S590 WeakPolarHBondContact CA-OG 3.5Å; E587-S590 PolarHBondContact O-OG 3.11Å; E587-S590 PolarHBondContact OE2-OG 3.31Å; E587-A591 WeakPolarHBondContact O-CB 3.49Å; E587-A591 PolarHBondContact O-N 3.27Å |
| 588 | L | 94.7 | Very high | 92.1 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.2 | -55.6 | -179.3 | -179.1 | 61.7 | 0 | 0 | 0 | 111.2 | A537 I540 A541 I582 T585 P586 A591 L592 W636 | A537-L588 HydrophobicContact CB-CD2 4.22Å; I540-L588 HydrophobicContact CB-CD1 4.24Å; I540-L588 HydrophobicContact CG2-CD1 3.65Å; A541-L588 HydrophobicContact CB-CB 3.91Å; A541-L588 HydrophobicContact CB-CD1 4.2Å; I582-L588 HydrophobicContact CG2-CD2 3.84Å; T585-L588 PolarHBondContact O-N 2.73Å; T585-L588 WeakPolarHBondContact OG1-CB 3.07Å; T585-L588 WeakPolarHBondContact OG1-CD2 3.38Å; P586-L588 PolarHBondContact O-N 3.46Å; P586-L588 VanDerWaalsContact O-N 3.11Å; L588-A591 PolarHBondContact O-N 3.43Å; L588-L592 HydrophobicContact CD1-CD1 4.15Å; L588-L592 HydrophobicContact CD1-CG 4.41Å; L588-L592 HydrophobicContact CG-CD1 4.17Å; L588-L592 WeakPolarHBondContact O-CB 3.29Å; L588-L592 WeakPolarHBondContact O-CG 2.81Å; L588-L592 PolarHBondContact O-N 3.17Å; L588-W636 HydrophobicContact CD2-CH2 4.46Å |
| 589 | V | 94.7 | Very high | 91.8 | Very high | 7 Ų | 7 | 43.2 Ų | 43.2 | 4% | 0.042 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.2 | -45.6 | -177.7 | -179 | 0 | 0 | 0 | 0 | 110.4 | F583 A591 L592 L593 W636 F647 | F583-V589 HydrophobicContact CD2-CG2 4Å; F583-V589 HydrophobicContact CE2-CG2 4.12Å; V589-A591 PolarHBondContact O-N 2.88Å; V589-L592 PolarHBondContact O-N 2.6Å; V589-L593 HydrophobicContact CG1-CD1 3.8Å; V589-L593 HydrophobicContact CG1-CG 4.21Å; V589-L593 WeakPolarHBondContact O-CB 3.36Å; V589-L593 WeakPolarHBondContact O-CG 2.89Å; V589-L593 PolarHBondContact O-N 3.26Å; V589-W636 HydrophobicContact CG2-CH2 3.84Å; V589-W636 HydrophobicContact CG2-CZ2 4.23Å; V589-W636 HydrophobicContact CG2-CZ3 4.14Å; V589-F647 HydrophobicContact CG1-CE1 3.77Å; V589-F647 HydrophobicContact CG1-CZ 3.79Å |
| 590 | S | 92.1 | Very high | 90.9 | Very high | 34 Ų | 34 | 45.2 Ų | 45.2 | 24% | 0.238 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.7 | -45 | 176.9 | 56.6 | 0 | 0 | 0 | 0 | 111.7 | E587 L593 M594 | E587-S590 WeakPolarHBondContact CA-OG 3.5Å; E587-S590 PolarHBondContact O-OG 3.11Å; E587-S590 PolarHBondContact OE2-OG 3.31Å; S590-L593 PolarHBondContact O-N 2.83Å; S590-M594 VanDerWaalsContact O-CB 3.28Å; S590-M594 WeakPolarHBondContact O-CB 3.05Å; S590-M594 WeakPolarHBondContact O-CG 3.33Å; S590-M594 PolarHBondContact O-N 2.87Å |
| 591 | A | 91.1 | Very high | 89.5 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.008 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65 | -44.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L544 A545 E587 L588 V589 L593 M594 H595 | L544-A591 HydrophobicContact CB-CB 3.95Å; A545-A591 HydrophobicContact CB-CB 4.2Å; E587-A591 WeakPolarHBondContact O-CB 3.49Å; E587-A591 PolarHBondContact O-N 3.27Å; L588-A591 PolarHBondContact O-N 3.43Å; V589-A591 PolarHBondContact O-N 2.88Å; A591-L593 VanDerWaalsContact C-N 3.35Å; A591-L593 PolarHBondContact O-N 3.02Å; A591-M594 PolarHBondContact O-N 3.42Å; A591-H595 PolarHBondContact O-CD2 2.81Å; A591-H595 VanDerWaalsContact O-CD2 3.3Å; A591-H595 PolarHBondContact O-N 3.32Å |
| 592 | L | 93.8 | Very high | 87.6 | Confident | 4 Ų | 4 | 50.3 Ų | 50.3 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.7 | -45.7 | 176.3 | -74 | 172.4 | 0 | 0 | 0 | 111.3 | L544 L564 I568 L588 V589 Y596 I629 | L544-L592 HydrophobicContact CD1-CD2 3.64Å; L544-L592 HydrophobicContact CD1-CG 4.24Å; L564-L592 HydrophobicContact CD2-CD2 4.14Å; I568-L592 HydrophobicContact CD1-CD1 4.2Å; L588-L592 HydrophobicContact CD1-CD1 4.15Å; L588-L592 HydrophobicContact CD1-CG 4.41Å; L588-L592 HydrophobicContact CG-CD1 4.17Å; L588-L592 WeakPolarHBondContact O-CB 3.29Å; L588-L592 WeakPolarHBondContact O-CG 2.81Å; L588-L592 PolarHBondContact O-N 3.17Å; V589-L592 PolarHBondContact O-N 2.6Å; L592-Y596 HydrophobicContact CD2-CD2 4.09Å; L592-Y596 HydrophobicContact CD2-CE2 4.43Å; L592-Y596 WeakPolarHBondContact O-CA 3.24Å; L592-Y596 WeakPolarHBondContact O-CB 3.29Å; L592-Y596 PolarHBondContact O-N 3.23Å; L592-I629 HydrophobicContact CD2-CD1 4.38Å |
| 593 | L | 94.1 | Very high | 85.2 | Confident | 4 Ų | 4 | 58.1 Ų | 58.1 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -69.6 | -36.6 | 180 | -67.3 | -179.7 | 0 | 0 | 0 | 112.9 | V589 S590 A591 L597 F647 H651 R656 | V589-L593 HydrophobicContact CG1-CD1 3.8Å; V589-L593 HydrophobicContact CG1-CG 4.21Å; V589-L593 WeakPolarHBondContact O-CB 3.36Å; V589-L593 WeakPolarHBondContact O-CG 2.89Å; V589-L593 PolarHBondContact O-N 3.26Å; S590-L593 PolarHBondContact O-N 2.83Å; A591-L593 VanDerWaalsContact C-N 3.35Å; A591-L593 PolarHBondContact O-N 3.02Å; L593-L597 HydrophobicContact CD2-CB 3.87Å; L593-L597 HydrophobicContact CD2-CD2 3.63Å; L593-L597 HydrophobicContact CD2-CG 4.3Å; L593-L597 CarbonylContact O-C 3.38Å; L593-L597 WeakPolarHBondContact O-CA 3.29Å; L593-L597 PolarHBondContact O-N 3.27Å; L593-L597 VanDerWaalsContact O-O 3.11Å; L593-F647 HydrophobicContact CD1-CE1 4.42Å; L593-H651 HydrophobicContact CD1-CB 3.7Å; L593-R656 PolarHBondContact O-NH1 3.39Å |
| 594 | M | 88.7 | Confident | 82.4 | Confident | 119 Ų | 119 | 63.9 Ų | 63.9 | 59% | 0.586 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -68 | -45.6 | 178.5 | -75 | -70.1 | -178.9 | 0 | 0 | 111.7 | S590 A591 | S590-M594 VanDerWaalsContact O-CB 3.28Å; S590-M594 WeakPolarHBondContact O-CB 3.05Å; S590-M594 WeakPolarHBondContact O-CG 3.33Å; S590-M594 PolarHBondContact O-N 2.87Å; A591-M594 PolarHBondContact O-N 3.42Å |
| 595 | H | 88.4 | Confident | 80 | Confident | 31 Ų | 31 | 64.1 Ų | 64.1 | 14% | 0.144 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -84.4 | -35 | -175.6 | -72.9 | -65.5 | 0 | 0 | 0 | 113.9 | A591 N622 N623 | A591-H595 PolarHBondContact O-CD2 2.81Å; A591-H595 VanDerWaalsContact O-CD2 3.3Å; A591-H595 PolarHBondContact O-N 3.32Å; H595-N622 PolarHBondContact ND1-OD1 3.46Å; H595-N623 WeakPolarHBondContact O-CA 3.3Å; H595-N623 PolarHBondContact O-N 3.15Å |
| 596 | Y | 92.1 | Very high | 77.2 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -127 | 0.5 | -166.5 | -52.7 | -58.9 | 0 | 0 | 0 | 114.9 | L544 L555 A560 L592 V621 P625 L626 | L544-Y596 HydrophobicContact CD2-CE2 4.2Å; L555-Y596 WeakPolarHBondContact CB-OH 3.3Å; L555-Y596 PolarHBondContact N-OH 3.18Å; A560-Y596 HydrophobicContact CB-CD1 4.07Å; A560-Y596 HydrophobicContact CB-CE1 3.66Å; A560-Y596 HydrophobicContact CB-CE2 4.33Å; L592-Y596 HydrophobicContact CD2-CD2 4.09Å; L592-Y596 HydrophobicContact CD2-CE2 4.43Å; L592-Y596 WeakPolarHBondContact O-CA 3.24Å; L592-Y596 WeakPolarHBondContact O-CB 3.29Å; L592-Y596 PolarHBondContact O-N 3.23Å; Y596-V621 HydrophobicContact CD1-CB 4.32Å; Y596-V621 HydrophobicContact CD1-CG1 3.6Å; Y596-V621 HydrophobicContact CE1-CB 4.1Å; Y596-V621 HydrophobicContact CE1-CG1 3.79Å; Y596-P625 WeakPolarHBondContact O-CA 3.39Å; Y596-L626 HydrophobicContact CD1-CD1 4.25Å; Y596-L626 HydrophobicContact CG-CD1 4.47Å; Y596-L626 PolarHBondContact O-N 3.45Å |
| 597 | L | 93 | Very high | 74.9 | Confident | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -146.2 | 49.9 | 171.7 | -158.5 | 66.6 | 0 | 0 | 0 | 112.4 | L593 P625 I629 M630 R656 Y660 L694 | L593-L597 HydrophobicContact CD2-CB 3.87Å; L593-L597 HydrophobicContact CD2-CD2 3.63Å; L593-L597 HydrophobicContact CD2-CG 4.3Å; L593-L597 CarbonylContact O-C 3.38Å; L593-L597 WeakPolarHBondContact O-CA 3.29Å; L593-L597 PolarHBondContact O-N 3.27Å; L593-L597 VanDerWaalsContact O-O 3.11Å; L597-P625 HydrophobicContact CD1-CB 4.09Å; L597-I629 HydrophobicContact CB-CG2 3.96Å; L597-I629 HydrophobicContact CD2-CG2 4.32Å; L597-M630 HydrophobicContact CD1-CB 4.23Å; L597-M630 HydrophobicContact CD1-CE 4.15Å; L597-M630 HydrophobicContact CD2-CB 4.39Å; L597-M630 HydrophobicContact CD2-CE 3.83Å; L597-M630 HydrophobicContact CD2-SD 4.09Å; L597-M630 HydrophobicContact CG-CE 4.34Å; L597-R656 PolarHBondContact O-NH1 3.06Å; L597-Y660 HydrophobicContact CD1-CE2 3.67Å; L597-Y660 HydrophobicContact CG-CE2 4Å; L597-Y660 PolarHBondContact O-OH 2.99Å; L597-Y660 VanDerWaalsContact O-OH 3.06Å; L597-L694 HydrophobicContact CD1-CD1 4.14Å |
| 598 | P | 89.5 | Confident | 72.7 | Confident | 30 Ų | 30 | 75.9 Ų | 75.9 | 20% | 0.195 | 36% | 0.359 | C | S | . | . | trans | -66.8 | 145.2 | -175.4 | 29.6 | -36.4 | 0 | 0 | 0 | 112.1 | N600 N623 Y660 | P598-N600 PolarHBondContact O-N 3.34Å; P598-N623 HydrophobicContact CG-CB 4.49Å; P598-N623 WeakPolarHBondContact CG-O 3.37Å; P598-Y660 WeakPolarHBondContact O-CE1 3.31Å; P598-Y660 PolarHBondContact O-OH 3.1Å | ||
| 599 | I | 83.2 | Confident | 70.2 | Confident | 61 Ų | 61 | 77.5 Ų | 77.5 | 31% | 0.313 | 37% | 0.37 | S | S | . | . | trans | -60.2 | 129.8 | 174.3 | -64.7 | 165.2 | 0 | 0 | 0 | 108.5 | E601 H652 R656 | I599-E601 HydrophobicContact CG2-CG 4.17Å; I599-E601 PolarHBondContact O-N 3.43Å; I599-H652 HydrophobicContact CD1-CB 4.32Å; I599-R656 HydrophobicContact CD1-CG 4.33Å; I599-R656 HydrophobicContact CG1-CG 3.46Å; I599-R656 VanDerWaalsContact CG1-CG 3.46Å | ||
| 600 | N | 72.9 | Confident | 67.9 | Low | 41 Ų | 41 | 82.1 Ų | 82.1 | 22% | 0.219 | 40% | 0.403 | C | S | . | . | trans | -78.3 | 88.4 | 179.2 | -167.5 | 21.8 | 0 | 0 | 0 | 110.1 | P598 Y602 S659 Y660 F681 | P598-N600 PolarHBondContact O-N 3.34Å; N600-Y602 VanDerWaalsContact C-N 3.28Å; N600-S659 PolarHBondContact N-OG 3.14Å; N600-Y660 HydrophobicContact CB-CD1 4.19Å; N600-Y660 HydrophobicContact CB-CE1 4.08Å; N600-F681 PolarHBondContact ND2-O 3.34Å | ||
| 601 | E | 63.3 | Low | 65.9 | Low | 165 Ų | 165 | 89.5 Ų | 89.5 | 77% | 0.771 | 43% | 0.431 | S | S | * | . | trans | -83.1 | -0.5 | 176 | -65.6 | -175.1 | 173.8 | 0 | 0 | 113.3 | I599 Q603 | I599-E601 HydrophobicContact CG2-CG 4.17Å; I599-E601 PolarHBondContact O-N 3.43Å; E601-Q603 PolarHBondContact O-N 3.16Å | ||
| 602 | Y | 51.1 | Low | 64.2 | Low | 144 Ų | 144 | 94.8 Ų | 94.8 | 57% | 0.565 | 46% | 0.458 | S | S | * | . | trans | -73.2 | 84.9 | -169.4 | -86.7 | -101.9 | 0 | 0 | 0 | 113.1 | N600 Y605 | N600-Y602 VanDerWaalsContact C-N 3.28Å; Y602-Y605 AromaticContact CD1-CD2 3.65Å; Y602-Y605 HydrophobicContact CD1-CD2 3.65Å; Y602-Y605 HydrophobicContact CD1-CG 4.25Å; Y602-Y605 AromaticContact CE1-CD2 3.25Å; Y602-Y605 HydrophobicContact CE1-CD2 3.25Å; Y602-Y605 AromaticContact CE1-CE2 3.72Å; Y602-Y605 HydrophobicContact CE1-CE2 3.72Å; Y602-Y605 HydrophobicContact CE1-CG 4.03Å | ||
| 603 | Q | 45 | Very low | 62.9 | Low | 166 Ų | 166 | 101.8 Ų | 101.8 | 78% | 0.776 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -94.5 | -7.6 | 155.5 | -70.7 | -173.3 | -12.5 | 0 | 0 | 112.7 | E601 | E601-Q603 PolarHBondContact O-N 3.16Š|
| 604 | L | 37 | Very low | 62 | Low | 154 Ų | 154 | 103.5 Ų | 103.5 | 81% | 0.806 | 50% | 0.501 | S | S | * | . | trans | -106.8 | -1.5 | -164 | -88.9 | 161.1 | 0 | 0 | 0 | 117.3 | N606 | L604-N606 PolarHBondContact O-N 3.16Š| ||
| 605 | Y | 40.8 | Very low | 61.4 | Low | 170 Ų | 170 | 100 Ų | 100 | 67% | 0.667 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -99 | 87.3 | 172.2 | -88.4 | -95.5 | 0 | 0 | 0 | 112.2 | Y602 | Y602-Y605 AromaticContact CD1-CD2 3.65Å; Y602-Y605 HydrophobicContact CD1-CD2 3.65Å; Y602-Y605 HydrophobicContact CD1-CG 4.25Å; Y602-Y605 AromaticContact CE1-CD2 3.25Å; Y602-Y605 HydrophobicContact CE1-CD2 3.25Å; Y602-Y605 AromaticContact CE1-CE2 3.72Å; Y602-Y605 HydrophobicContact CE1-CE2 3.72Å; Y602-Y605 HydrophobicContact CE1-CG 4.03Å |
| 606 | N | 37.4 | Very low | 60.4 | Low | 101 Ų | 101 | 106 Ų | 106 | 54% | 0.54 | 52% | 0.521 | S | S | . | . | trans | 38.8 | 121.4 | 138.5 | -76.5 | -8.7 | 0 | 0 | 0 | 118.5 | L604 E608 S609 | L604-N606 PolarHBondContact O-N 3.16Å; N606-E608 HydrophobicContact CB-CB 4.23Å; N606-E608 PolarHBondContact O-N 2.99Å; N606-S609 PolarHBondContact O-N 3.41Å; N606-S609 PolarHBondContact O-OG 2.76Å; N606-S609 VanDerWaalsContact O-OG 3.05Å | ||
| 607 | K | 41.1 | Very low | 59.3 | Low | 199 Ų | 199 | 112.3 Ų | 112.3 | 87% | 0.865 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.3 | -10.2 | 154.3 | -73 | -179.2 | 174.6 | 177.8 | 0 | 114.9 | S610 | K607-S610 PolarHBondContact O-OG 3.13Å; K607-S610 VanDerWaalsContact O-OG 3.08Å |
| 608 | E | 43.3 | Very low | 58.4 | Low | 161 Ų | 161 | 113.4 Ų | 113.4 | 75% | 0.752 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -20.5 | 174.8 | -62.6 | -169.6 | 154.9 | 0 | 0 | 113.4 | N606 S610 | N606-E608 HydrophobicContact CB-CB 4.23Å; N606-E608 PolarHBondContact O-N 2.99Å; E608-S610 VanDerWaalsContact C-N 3.3Å; E608-S610 PolarHBondContact O-N 2.91Å |
| 609 | S | 42.2 | Very low | 57.5 | Low | 35 Ų | 35 | 116.7 Ų | 116.7 | 25% | 0.245 | 58% | 0.58 | C | S | . | * | G | 310 helix | trans | -81.8 | -6.3 | 179.4 | 68.4 | 0 | 0 | 0 | 0 | 114 | N606 K611 I612 | N606-S609 PolarHBondContact O-N 3.41Å; N606-S609 PolarHBondContact O-OG 2.76Å; N606-S609 VanDerWaalsContact O-OG 3.05Å; S609-K611 PolarHBondContact O-N 3.24Å; S609-I612 PolarHBondContact O-N 3.19Å |
| 610 | S | 45.9 | Very low | 57.1 | Low | 105 Ų | 105 | 117 Ų | 117 | 73% | 0.734 | 59% | 0.587 | S | S | * | * | G | 310 helix | trans | -65 | -1.6 | 175.2 | 68.3 | 0 | 0 | 0 | 0 | 113.8 | K607 E608 | K607-S610 PolarHBondContact O-OG 3.13Å; K607-S610 VanDerWaalsContact O-OG 3.08Å; E608-S610 VanDerWaalsContact C-N 3.3Å; E608-S610 PolarHBondContact O-N 2.91Å |
| 611 | K | 49.5 | Very low | 57.3 | Low | 189 Ų | 189 | 115.3 Ų | 115.3 | 82% | 0.822 | 58% | 0.578 | S | S | * | * | G | 310 helix | trans | -100.1 | -1.1 | 173.4 | -71.4 | -176.1 | 177.6 | 178.2 | 0 | 114.5 | S609 | S609-K611 PolarHBondContact O-N 3.24Š|
| 612 | I | 55.4 | Low | 58.2 | Low | 111 Ų | 111 | 111.1 Ų | 111.1 | 57% | 0.569 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -88.7 | 112 | 177.4 | -57.4 | 174.9 | 0 | 0 | 0 | 108.4 | S609 R614 | S609-I612 PolarHBondContact O-N 3.19Å; I612-R614 PolarHBondContact O-N 3.2Å |
| 613 | N | 66.5 | Low | 59.7 | Low | 152 Ų | 152 | 108.6 Ų | 108.6 | 81% | 0.813 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 131.7 | 172.2 | -69.5 | -14.6 | 0 | 0 | 0 | 109.6 | ||
| 614 | R | 76.1 | Confident | 61.7 | Low | 39 Ų | 39 | 100.9 Ų | 100.9 | 15% | 0.147 | 52% | 0.521 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 142.2 | 174.4 | -69.1 | -174.2 | 172.1 | -138.7 | 3.6 | 110.2 | I612 V679 L682 N684 L686 | I612-R614 PolarHBondContact O-N 3.2Å; R614-V679 PolarHBondContact NH2-O 3.17Å; R614-L682 PolarHBondContact NH2-O 3.41Å; R614-N684 WeakPolarHBondContact CG-O 3.26Å; R614-L686 PolarHBondContact NH1-O 3.28Å |
| 615 | P | 75.7 | Confident | 64.3 | Low | 47 Ų | 47 | 94 Ų | 94 | 31% | 0.305 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -72.5 | 151.4 | 176.5 | 31.8 | -34.8 | 0 | 0 | 0 | 111.2 | N684 A685 P687 | P615-N684 VanDerWaalsContact CD-O 3.27Å; P615-N684 WeakPolarHBondContact CD-O 3.15Å; P615-A685 VanDerWaalsContact CG-O 3.27Å; P615-A685 WeakPolarHBondContact CG-O 3.44Å; P615-P687 WeakPolarHBondContact O-CB 3.46Å; P615-P687 WeakPolarHBondContact O-CG 3.19Å |
| 616 | N | 68.4 | Low | 66.7 | Low | 155 Ų | 155 | 86.1 Ų | 86.1 | 83% | 0.829 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -75.3 | -31.4 | 175.4 | -67.5 | -6.9 | 0 | 0 | 0 | 112.3 | ||
| 617 | H | 68.8 | Low | 69.2 | Low | 133 Ų | 133 | 81.8 Ų | 81.8 | 62% | 0.616 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -124.1 | 149.5 | -179.8 | 59.9 | -90.3 | 0 | 0 | 0 | 110.8 | S619 | H617-S619 PolarHBondContact O-N 3.45Š|
| 618 | L | 73.9 | Confident | 71.5 | Confident | 24 Ų | 24 | 73.4 Ų | 73.4 | 13% | 0.126 | 40% | 0.399 | C | S | . | . | trans | -82.2 | 112.5 | 178 | -160.4 | 99.7 | 0 | 0 | 0 | 109.6 | A557 S620 V621 I624 L626 L686 L690 | A557-L618 HydrophobicContact CB-CB 4.39Å; A557-L618 HydrophobicContact CB-CD2 3.82Å; A557-L618 WeakPolarHBondContact CB-O 3.32Å; L618-S620 WeakPolarHBondContact CG-O 3.34Å; L618-V621 HydrophobicContact CD2-CB 4.41Å; L618-V621 HydrophobicContact CD2-CG1 4.22Å; L618-V621 HydrophobicContact CD2-CG2 3.94Å; L618-I624 HydrophobicContact CD1-CG2 4.33Å; L618-L626 HydrophobicContact CD2-CD2 4.06Å; L618-L686 HydrophobicContact CD1-CD1 3.89Å; L618-L690 HydrophobicContact CB-CD1 4.34Å; L618-L690 HydrophobicContact CD1-CD1 4.19Å | ||
| 619 | S | 69.9 | Low | 74 | Confident | 99 Ų | 99 | 65.8 Ų | 65.8 | 69% | 0.692 | 36% | 0.364 | S | S | * | . | trans | -94.6 | -32.3 | 179.2 | 60.1 | 0 | 0 | 0 | 0 | 113.6 | H617 | H617-S619 PolarHBondContact O-N 3.45Š| ||
| 620 | S | 74.8 | Confident | 76.4 | Confident | 68 Ų | 68 | 64.1 Ų | 64.1 | 48% | 0.476 | 35% | 0.352 | S | S | . | . | trans | -131.7 | 153.4 | 176.5 | 69.9 | 0 | 0 | 0 | 0 | 110.6 | L618 I624 | L618-S620 WeakPolarHBondContact CG-O 3.34Å; S620-I624 WeakPolarHBondContact O-CD1 3.34Å | ||
| 621 | V | 78.2 | Confident | 78.6 | Confident | 4 Ų | 4 | 60.5 Ų | 60.5 | 2% | 0.024 | 32% | 0.322 | C | S | . | . | trans | -123.4 | -19.3 | -171.1 | -155.7 | 0 | 0 | 0 | 0 | 113.1 | A557 A560 Y596 L618 N623 I624 L626 | A557-V621 HydrophobicContact CB-CG2 3.94Å; A557-V621 VanDerWaalsContact N-CG2 3.3Å; A560-V621 HydrophobicContact CB-CG1 4.04Å; Y596-V621 HydrophobicContact CD1-CB 4.32Å; Y596-V621 HydrophobicContact CD1-CG1 3.6Å; Y596-V621 HydrophobicContact CE1-CB 4.1Å; Y596-V621 HydrophobicContact CE1-CG1 3.79Å; L618-V621 HydrophobicContact CD2-CB 4.41Å; L618-V621 HydrophobicContact CD2-CG1 4.22Å; L618-V621 HydrophobicContact CD2-CG2 3.94Å; V621-N623 PolarHBondContact O-N 3.48Å; V621-I624 WeakPolarHBondContact O-CB 3.26Å; V621-I624 PolarHBondContact O-N 3.32Å; V621-L626 HydrophobicContact CG1-CD1 3.4Å; V621-L626 VanDerWaalsContact CG1-CD1 3.4Å; V621-L626 HydrophobicContact CG1-CD2 3.95Å; V621-L626 HydrophobicContact CG1-CG 3.79Å | ||
| 622 | N | 82.1 | Confident | 80.6 | Confident | 78 Ų | 78 | 51.6 Ų | 51.6 | 42% | 0.417 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | 124 | -169.4 | -163.4 | 24.8 | 0 | 0 | 0 | 110.7 | C554 H595 I624 | C554-N622 HydrophobicContact CB-CB 4.42Å; C554-N622 VanDerWaalsContact SG-CB 3.59Å; H595-N622 PolarHBondContact ND1-OD1 3.46Å; N622-I624 PolarHBondContact O-N 2.97Å |
| 623 | N | 82.7 | Confident | 82.5 | Confident | 90 Ų | 90 | 46.4 Ų | 46.4 | 48% | 0.481 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.9 | 26.9 | -174.9 | -56.2 | -27.2 | 0 | 0 | 0 | 114.4 | H595 P598 V621 | H595-N623 WeakPolarHBondContact O-CA 3.3Å; H595-N623 PolarHBondContact O-N 3.15Å; P598-N623 HydrophobicContact CG-CB 4.49Å; P598-N623 WeakPolarHBondContact CG-O 3.37Å; V621-N623 PolarHBondContact O-N 3.48Å |
| 624 | I | 87 | Confident | 83.6 | Confident | 4 Ų | 4 | 39.2 Ų | 39.2 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | trans | -110.1 | 127.2 | 173.7 | -64.9 | 163.1 | 0 | 0 | 0 | 108.3 | L618 S620 V621 N622 L626 A685 L686 | L618-I624 HydrophobicContact CD1-CG2 4.33Å; S620-I624 WeakPolarHBondContact O-CD1 3.34Å; V621-I624 WeakPolarHBondContact O-CB 3.26Å; V621-I624 PolarHBondContact O-N 3.32Å; N622-I624 PolarHBondContact O-N 2.97Å; I624-L626 PolarHBondContact O-N 3.04Å; I624-A685 HydrophobicContact CD1-CB 3.95Å; I624-L686 HydrophobicContact CG2-CB 4.4Å; I624-L686 HydrophobicContact CG2-CD1 3.95Å | ||
| 625 | P | 90.1 | Very high | 84.3 | Confident | 10 Ų | 10 | 37.4 Ų | 37.4 | 7% | 0.065 | 21% | 0.212 | C | C | . | . | trans | -70.5 | 122.5 | -178.8 | 28.9 | -34.6 | 0 | 0 | 0 | 111.1 | Y596 L597 Y660 L694 | Y596-P625 WeakPolarHBondContact O-CA 3.39Å; L597-P625 HydrophobicContact CD1-CB 4.09Å; P625-Y660 HydrophobicContact CB-CD1 4.47Å; P625-Y660 HydrophobicContact CB-CE1 3.73Å; P625-Y660 HydrophobicContact CB-CE2 4.4Å; P625-Y660 HydrophobicContact CG-CD1 4.5Å; P625-Y660 HydrophobicContact CG-CE1 3.98Å; P625-L694 HydrophobicContact CB-CD1 4.38Å; P625-L694 HydrophobicContact CB-CD2 3.73Å; P625-L694 HydrophobicContact CG-CD2 3.7Å | ||
| 626 | L | 91.5 | Very high | 85 | Confident | 5 Ų | 5 | 35.3 Ų | 35.3 | 3% | 0.026 | 20% | 0.198 | C | C | . | . | trans | -101 | 131.4 | -178.4 | -72 | -176.1 | 0 | 0 | 0 | 112.3 | A560 Y596 L618 V621 I624 S628 I629 M630 | A560-L626 HydrophobicContact CB-CD1 3.91Å; Y596-L626 HydrophobicContact CD1-CD1 4.25Å; Y596-L626 HydrophobicContact CG-CD1 4.47Å; Y596-L626 PolarHBondContact O-N 3.45Å; L618-L626 HydrophobicContact CD2-CD2 4.06Å; V621-L626 HydrophobicContact CG1-CD1 3.4Å; V621-L626 VanDerWaalsContact CG1-CD1 3.4Å; V621-L626 HydrophobicContact CG1-CD2 3.95Å; V621-L626 HydrophobicContact CG1-CG 3.79Å; I624-L626 PolarHBondContact O-N 3.04Å; L626-S628 VanDerWaalsContact C-N 3.3Å; L626-S628 PolarHBondContact O-N 3.45Å; L626-I629 HydrophobicContact CB-CB 4.36Å; L626-I629 HydrophobicContact CB-CG1 3.83Å; L626-I629 HydrophobicContact CD1-CG1 4.26Å; L626-I629 PolarHBondContact O-N 3.33Å; L626-I629 VanDerWaalsContact O-N 3.11Å; L626-M630 PolarHBondContact O-N 2.77Å | ||
| 627 | P | 90.6 | Very high | 86 | Confident | 9 Ų | 9 | 27.9 Ų | 27.9 | 6% | 0.058 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -56.6 | -41.4 | 175.9 | -23.6 | 32 | 0 | 0 | 0 | 113.2 | I629 M630 R631 L690 Q693 L694 | P627-I629 PolarHBondContact O-N 3.45Å; P627-M630 WeakPolarHBondContact O-CB 3.43Å; P627-M630 PolarHBondContact O-N 3.14Å; P627-M630 VanDerWaalsContact O-N 3.11Å; P627-R631 PolarHBondContact O-N 3.26Å; P627-L690 HydrophobicContact CG-CB 4.4Å; P627-L690 WeakPolarHBondContact CG-O 3.43Å; P627-Q693 HydrophobicContact CB-CB 3.99Å; P627-Q693 HydrophobicContact CG-CB 3.92Å; P627-L694 HydrophobicContact CG-CB 4Å |
| 628 | S | 89.7 | Confident | 86.9 | Confident | 23 Ų | 23 | 22.9 Ų | 22.9 | 16% | 0.161 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.7 | -26.5 | -179.7 | -52.5 | 0 | 0 | 0 | 0 | 113.3 | G561 L626 R631 L632 | G561-S628 WeakPolarHBondContact O-CB 3.33Å; G561-S628 PolarHBondContact O-OG 3.04Å; L626-S628 VanDerWaalsContact C-N 3.3Å; L626-S628 PolarHBondContact O-N 3.45Å; S628-R631 WeakPolarHBondContact O-CB 3.45Å; S628-L632 PolarHBondContact O-N 3.22Å; S628-L632 VanDerWaalsContact O-N 3.15Å |
| 629 | I | 94.4 | Very high | 87.5 | Confident | 2 Ų | 2 | 22.9 Ų | 22.9 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -81.6 | -36.4 | 175.6 | -55.2 | -62.1 | 0 | 0 | 0 | 110.7 | P565 L592 L597 L626 P627 R631 L632 C633 | P565-I629 HydrophobicContact CG-CD1 3.87Å; L592-I629 HydrophobicContact CD2-CD1 4.38Å; L597-I629 HydrophobicContact CB-CG2 3.96Å; L597-I629 HydrophobicContact CD2-CG2 4.32Å; L626-I629 HydrophobicContact CB-CB 4.36Å; L626-I629 HydrophobicContact CB-CG1 3.83Å; L626-I629 HydrophobicContact CD1-CG1 4.26Å; L626-I629 PolarHBondContact O-N 3.33Å; L626-I629 VanDerWaalsContact O-N 3.11Å; P627-I629 PolarHBondContact O-N 3.45Å; I629-R631 PolarHBondContact O-N 3.05Å; I629-L632 HydrophobicContact CD1-CD1 3.77Å; I629-L632 WeakPolarHBondContact O-CB 3.26Å; I629-L632 PolarHBondContact O-N 3.21Å; I629-C633 PolarHBondContact O-N 2.84Å; I629-C633 VanDerWaalsContact O-N 3.09Å; I629-C633 PolarHBondContact O-SG 2.73Å; I629-C633 VanDerWaalsContact O-SG 3.37Å |
| 630 | M | 94 | Very high | 88.3 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.7 | -38.9 | 168.7 | -173.3 | 57.7 | 82 | 0 | 0 | 111.2 | L597 L626 P627 L632 C633 R634 L653 Y660 L694 E697 C701 | L597-M630 HydrophobicContact CD1-CB 4.23Å; L597-M630 HydrophobicContact CD1-CE 4.15Å; L597-M630 HydrophobicContact CD2-CB 4.39Å; L597-M630 HydrophobicContact CD2-CE 3.83Å; L597-M630 HydrophobicContact CD2-SD 4.09Å; L597-M630 HydrophobicContact CG-CE 4.34Å; L626-M630 PolarHBondContact O-N 2.77Å; P627-M630 WeakPolarHBondContact O-CB 3.43Å; P627-M630 PolarHBondContact O-N 3.14Å; P627-M630 VanDerWaalsContact O-N 3.11Å; M630-L632 PolarHBondContact O-N 2.75Å; M630-C633 WeakPolarHBondContact O-CB 3.34Å; M630-C633 PolarHBondContact O-N 2.97Å; M630-C633 VanDerWaalsContact O-N 3.17Å; M630-C633 HydrophobicContact SD-CB 4.49Å; M630-R634 PolarHBondContact O-N 3.05Å; M630-L653 HydrophobicContact SD-CD1 4.35Å; M630-Y660 HydrophobicContact CE-CD2 3.63Å; M630-Y660 HydrophobicContact CE-CE2 3.55Å; M630-L694 HydrophobicContact CB-CD1 4.29Å; M630-E697 HydrophobicContact CB-CB 4.24Å; M630-E697 HydrophobicContact CB-CG 4.06Å; M630-E697 HydrophobicContact CG-CB 4.1Å; M630-E697 HydrophobicContact CG-CG 4.03Å; M630-C701 HydrophobicContact CG-CB 4.26Å; M630-C701 HydrophobicContact SD-CB 3.87Å |
| 631 | R | 90.9 | Very high | 88.9 | Confident | 28 Ų | 28 | 20 Ų | 20 | 11% | 0.106 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -59.1 | -43.8 | 173.3 | 179.6 | 179.5 | 174 | -171.8 | -6 | 112.2 | E474 N478 I569 P627 S628 I629 C633 R634 I635 E697 | E474-R631 PolarHBondContact O-NH2 3.42Å; N478-R631 WeakPolarHBondContact OD1-CD 3.43Å; N478-R631 VanDerWaalsContact OD1-CZ 3.3Å; N478-R631 PolarHBondContact OD1-NE 3.41Å; I569-R631 HydrophobicContact CD1-CG 3.96Å; P627-R631 PolarHBondContact O-N 3.26Å; S628-R631 WeakPolarHBondContact O-CB 3.45Å; I629-R631 PolarHBondContact O-N 3.05Å; R631-C633 VanDerWaalsContact C-N 3.34Å; R631-C633 PolarHBondContact O-N 3Å; R631-R634 PolarHBondContact O-N 3.28Å; R631-I635 HydrophobicContact CG-CD1 3.95Å; R631-I635 WeakPolarHBondContact O-CG1 3.49Å; R631-I635 PolarHBondContact O-N 2.95Å; R631-E697 VanDerWaalsContact CA-OE1 3.24Å; R631-E697 WeakPolarHBondContact CA-OE1 3.3Å; R631-E697 HydrophobicContact CB-CG 3.74Å; R631-E697 WeakPolarHBondContact CB-OE1 3.37Å; R631-E697 WeakPolarHBondContact CG-OE1 3.33Å |
| 632 | L | 92.6 | Very high | 89.5 | Confident | 2 Ų | 2 | 22.9 Ų | 22.9 | 1% | 0.01 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -56.8 | -47.5 | 173.1 | -78.3 | 171.7 | 0 | 0 | 0 | 111.7 | P565 I568 I569 L572 S628 I629 M630 R634 I635 W636 | P565-L632 HydrophobicContact CB-CD1 4.04Å; P565-L632 HydrophobicContact CB-CG 4.21Å; P565-L632 HydrophobicContact CG-CD1 4.45Å; I568-L632 HydrophobicContact CB-CD2 3.77Å; I568-L632 HydrophobicContact CD1-CD1 4.46Å; I568-L632 HydrophobicContact CG2-CD2 3.58Å; I569-L632 HydrophobicContact CD1-CD2 4.27Å; I569-L632 HydrophobicContact CG1-CD2 3.45Å; I569-L632 VanDerWaalsContact CG1-CD2 3.45Å; I569-L632 HydrophobicContact CG1-CG 4.26Å; L572-L632 HydrophobicContact CD1-CD2 4.24Å; S628-L632 PolarHBondContact O-N 3.22Å; S628-L632 VanDerWaalsContact O-N 3.15Å; I629-L632 HydrophobicContact CD1-CD1 3.77Å; I629-L632 WeakPolarHBondContact O-CB 3.26Å; I629-L632 PolarHBondContact O-N 3.21Å; M630-L632 PolarHBondContact O-N 2.75Å; L632-R634 PolarHBondContact O-N 3.31Å; L632-I635 PolarHBondContact O-N 2.89Å; L632-W636 PolarHBondContact O-N 3.07Å |
| 633 | C | 93.9 | Very high | 89.9 | Confident | 2 Ų | 2 | 19.2 Ų | 19.2 | 1% | 0.014 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -58.2 | -47.5 | 178.2 | -64.3 | 0 | 0 | 0 | 0 | 111.6 | I629 M630 R631 W636 T637 F647 L653 | I629-C633 PolarHBondContact O-N 2.84Å; I629-C633 VanDerWaalsContact O-N 3.09Å; I629-C633 PolarHBondContact O-SG 2.73Å; I629-C633 VanDerWaalsContact O-SG 3.37Å; M630-C633 WeakPolarHBondContact O-CB 3.34Å; M630-C633 PolarHBondContact O-N 2.97Å; M630-C633 VanDerWaalsContact O-N 3.17Å; M630-C633 HydrophobicContact SD-CB 4.49Å; R631-C633 VanDerWaalsContact C-N 3.34Å; R631-C633 PolarHBondContact O-N 3Å; C633-W636 WeakPolarHBondContact O-CB 3.28Å; C633-W636 PolarHBondContact O-N 3.06Å; C633-T637 WeakPolarHBondContact O-CG2 3.38Å; C633-T637 PolarHBondContact O-N 2.83Å; C633-F647 HydrophobicContact CB-CE1 4.13Å; C633-L653 HydrophobicContact CB-CD1 3.95Å |
| 634 | R | 91.1 | Very high | 90.4 | Very high | 1 Ų | 1 | 15 Ų | 15 | 0% | 0.004 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -58.8 | -51.1 | 177.6 | -178.2 | -179.7 | 59 | 77.2 | 1.4 | 112.2 | N478 E482 M630 R631 L632 W636 T637 Q638 E697 R700 C701 | N478-R634 PolarHBondContact OD1-NH2 3.34Å; E482-R634 VanDerWaalsContact CD-NH2 3.31Å; E482-R634 IonicContact OE1-CZ 2.98Å; E482-R634 IonicContact OE1-NE 3.91Å; E482-R634 IonicContact OE1-NH1 2.82Å; E482-R634 PolarHBondContact OE1-NH1 2.77Å; E482-R634 IonicContact OE1-NH2 4Å; E482-R634 PolarHBondContact OE1-NH2 2.92Å; E482-R634 IonicContact OE2-CZ 3.82Å; E482-R634 IonicContact OE2-NE 2.65Å; E482-R634 IonicContact OE2-NH1 3.16Å; E482-R634 IonicContact OE2-NH2 3.72Å; E482-R634 PolarHBondContact OE2-NH2 3Å; M630-R634 PolarHBondContact O-N 3.05Å; R631-R634 PolarHBondContact O-N 3.28Å; L632-R634 PolarHBondContact O-N 3.31Å; R634-W636 VanDerWaalsContact C-N 3.26Å; R634-W636 PolarHBondContact O-N 2.89Å; R634-T637 PolarHBondContact O-N 3.43Å; R634-T637 PolarHBondContact O-OG1 3.09Å; R634-Q638 PolarHBondContact O-N 3.29Å; R634-E697 IonicContact CZ-OE1 3.07Å; R634-E697 VanDerWaalsContact CZ-OE1 3.25Å; R634-E697 IonicContact NE-OE1 2.85Å; R634-E697 PolarHBondContact NE-OE1 2.7Å; R634-E697 IonicContact NH2-OE1 2.74Å; R634-E697 PolarHBondContact NH2-OE1 3.4Å; R634-R700 VanDerWaalsContact CD-CB 3.45Å; R634-C701 HydrophobicContact CB-CB 3.94Å; R634-C701 HydrophobicContact CG-CB 4.4Å |
| 635 | I | 89.2 | Confident | 90.8 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.005 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60 | -40 | -178.8 | -67.9 | 172 | 0 | 0 | 0 | 110.4 | I569 L572 R631 L632 T637 Q638 I639 | I569-I635 HydrophobicContact CB-CD1 4.44Å; I569-I635 HydrophobicContact CD1-CD1 3.87Å; I569-I635 HydrophobicContact CG1-CD1 3.86Å; I569-I635 HydrophobicContact CG2-CD1 3.76Å; L572-I635 HydrophobicContact CB-CG2 4.1Å; L572-I635 HydrophobicContact CD1-CG2 4.13Å; R631-I635 HydrophobicContact CG-CD1 3.95Å; R631-I635 WeakPolarHBondContact O-CG1 3.49Å; R631-I635 PolarHBondContact O-N 2.95Å; L632-I635 PolarHBondContact O-N 2.89Å; I635-T637 PolarHBondContact O-N 2.64Å; I635-Q638 PolarHBondContact O-N 3.49Å; I635-I639 HydrophobicContact CG2-CD1 4.49Å; I635-I639 WeakPolarHBondContact O-CD1 3.48Å; I635-I639 WeakPolarHBondContact O-CG1 3.22Å |
| 636 | W | 91.8 | Very high | 90.9 | Very high | 3 Ų | 3 | 19 Ų | 19 | 1% | 0.011 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -59.2 | -46 | 172.8 | -108.1 | -45.3 | 0 | 0 | 0 | 113.2 | I568 L572 A579 I582 F583 L588 V589 L632 C633 R634 Q638 I639 I643 F647 | I568-W636 HydrophobicContact CG2-CH2 4.43Å; L572-W636 HydrophobicContact CD1-CD2 3.78Å; L572-W636 HydrophobicContact CD1-CE3 4.21Å; L572-W636 HydrophobicContact CD1-CG 3.89Å; L572-W636 HydrophobicContact CD2-CD2 4.17Å; L572-W636 HydrophobicContact CD2-CG 4.28Å; L572-W636 HydrophobicContact CD2-CZ2 4.03Å; A579-W636 PolarHBondContact O-NE1 2.94Å; I582-W636 HydrophobicContact CB-CZ2 4.4Å; I582-W636 HydrophobicContact CG2-CH2 4.35Å; I582-W636 HydrophobicContact CG2-CZ2 3.72Å; F583-W636 HydrophobicContact CB-CZ2 4.38Å; F583-W636 HydrophobicContact CD2-CD2 4.36Å; F583-W636 HydrophobicContact CD2-CG 4.43Å; F583-W636 HydrophobicContact CD2-CZ2 4.47Å; F583-W636 AromaticContact CD2-NE1 3.94Å; L588-W636 HydrophobicContact CD2-CH2 4.46Å; V589-W636 HydrophobicContact CG2-CH2 3.84Å; V589-W636 HydrophobicContact CG2-CZ2 4.23Å; V589-W636 HydrophobicContact CG2-CZ3 4.14Å; L632-W636 PolarHBondContact O-N 3.07Å; C633-W636 WeakPolarHBondContact O-CB 3.28Å; C633-W636 PolarHBondContact O-N 3.06Å; R634-W636 VanDerWaalsContact C-N 3.26Å; R634-W636 PolarHBondContact O-N 2.89Å; W636-Q638 VanDerWaalsContact C-N 3.26Å; W636-Q638 PolarHBondContact O-N 2.81Å; W636-I639 WeakPolarHBondContact O-CB 3.48Å; W636-I639 PolarHBondContact O-N 3.19Å; W636-I643 HydrophobicContact CB-CG2 3.97Å; W636-I643 HydrophobicContact CG-CG2 4.2Å; W636-I643 WeakPolarHBondContact O-CG2 3.4Å; W636-F647 HydrophobicContact CB-CD2 4.43Å; W636-F647 HydrophobicContact CB-CE2 3.61Å; W636-F647 HydrophobicContact CB-CZ 4.18Å; W636-F647 HydrophobicContact CD2-CE2 4.15Å; W636-F647 HydrophobicContact CD2-CZ 4.16Å; W636-F647 HydrophobicContact CE3-CE2 4.23Å; W636-F647 AromaticContact CE3-CZ 3.77Å; W636-F647 HydrophobicContact CE3-CZ 3.77Å; W636-F647 AromaticContact CG-CE2 3.94Å; W636-F647 HydrophobicContact CG-CE2 3.94Å; W636-F647 HydrophobicContact CG-CZ 4.38Å; W636-F647 HydrophobicContact CZ3-CZ 4.46Å |
| 637 | T | 89.5 | Confident | 91.1 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -65.3 | -30 | -178.8 | 64.1 | 0 | 0 | 0 | 0 | 112.7 | C633 R634 I635 I639 L644 F647 L653 S704 R709 | C633-T637 WeakPolarHBondContact O-CG2 3.38Å; C633-T637 PolarHBondContact O-N 2.83Å; R634-T637 PolarHBondContact O-N 3.43Å; R634-T637 PolarHBondContact O-OG1 3.09Å; I635-T637 PolarHBondContact O-N 2.64Å; T637-I639 VanDerWaalsContact C-N 3.26Å; T637-I639 PolarHBondContact O-N 3.29Å; T637-L644 HydrophobicContact CG2-CD1 4Å; T637-F647 HydrophobicContact CG2-CB 4.09Å; T637-F647 HydrophobicContact CG2-CD2 4.03Å; T637-F647 HydrophobicContact CG2-CG 4.13Å; T637-L653 HydrophobicContact CG2-CD2 3.58Å; T637-S704 PolarHBondContact OG1-OG 3.36Å; T637-R709 PolarHBondContact O-NH1 3.39Å |
| 638 | Q | 86.5 | Confident | 91.3 | Very high | 27 Ų | 27 | 18.3 Ų | 18.3 | 13% | 0.126 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -70.9 | -21.4 | 178.8 | -73.7 | 176.8 | -30.2 | 0 | 0 | 113 | E486 R634 I635 W636 R709 | E486-Q638 PolarHBondContact OE1-NE2 3.36Å; E486-Q638 VanDerWaalsContact OE1-NE2 3.08Å; R634-Q638 PolarHBondContact O-N 3.29Å; I635-Q638 PolarHBondContact O-N 3.49Å; W636-Q638 VanDerWaalsContact C-N 3.26Å; W636-Q638 PolarHBondContact O-N 2.81Å; Q638-R709 PolarHBondContact O-NH2 3.35Å; Q638-R709 VanDerWaalsContact O-NH2 3.13Å |
| 639 | I | 86.3 | Confident | 91.5 | Very high | 24 Ų | 24 | 20.7 Ų | 20.7 | 12% | 0.123 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -76.6 | -44.1 | -173.1 | -69.6 | 165.2 | 0 | 0 | 0 | 112.9 | C492 F494 L572 A579 I635 W636 T637 I643 | C492-I639 HydrophobicContact CB-CG1 4.44Å; F494-I639 HydrophobicContact CE1-CG1 4.29Å; F494-I639 HydrophobicContact CE1-CG2 4.42Å; F494-I639 HydrophobicContact CZ-CG1 4.47Å; F494-I639 HydrophobicContact CZ-CG2 4.11Å; L572-I639 HydrophobicContact CB-CD1 3.99Å; A579-I639 HydrophobicContact CB-CD1 3.48Å; A579-I639 VanDerWaalsContact CB-CD1 3.48Å; A579-I639 HydrophobicContact CB-CG2 4Å; I635-I639 HydrophobicContact CG2-CD1 4.49Å; I635-I639 WeakPolarHBondContact O-CD1 3.48Å; I635-I639 WeakPolarHBondContact O-CG1 3.22Å; W636-I639 WeakPolarHBondContact O-CB 3.48Å; W636-I639 PolarHBondContact O-N 3.19Å; T637-I639 VanDerWaalsContact C-N 3.26Å; T637-I639 PolarHBondContact O-N 3.29Å; I639-I643 HydrophobicContact CG2-CD1 4.34Å |
| 640 | S | 86.8 | Confident | 91.5 | Very high | 40 Ų | 40 | 26 Ų | 26 | 28% | 0.28 | 15% | 0.146 | S | C | . | . | trans | -152 | 141.4 | -176.2 | 175.6 | 0 | 0 | 0 | 0 | 111.4 | S642 I643 L644 | S640-S642 PolarHBondContact O-N 3.44Å; S640-S642 PolarHBondContact OG-N 2.68Å; S640-S642 PolarHBondContact OG-OG 3.11Å; S640-I643 PolarHBondContact O-N 3.07Å; S640-I643 VanDerWaalsContact O-N 3.13Å; S640-L644 PolarHBondContact O-N 2.76Å | ||
| 641 | D | 88.1 | Confident | 91.5 | Very high | 68 Ų | 68 | 28 Ų | 28 | 36% | 0.364 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -64.3 | -29 | 175.1 | -62.1 | -20.2 | 0 | 0 | 0 | 111.9 | I643 L644 L645 R709 | D641-I643 VanDerWaalsContact C-N 3.34Å; D641-I643 PolarHBondContact O-N 2.77Å; D641-L644 PolarHBondContact O-N 2.75Å; D641-L645 WeakPolarHBondContact O-CB 3.19Å; D641-L645 VanDerWaalsContact O-CG 3.23Å; D641-L645 WeakPolarHBondContact O-CG 3.49Å; D641-L645 PolarHBondContact O-N 3.13Å; D641-R709 WeakPolarHBondContact OD1-CD 3.41Å; D641-R709 IonicContact OD1-CZ 3.49Å; D641-R709 IonicContact OD1-NE 3.63Å; D641-R709 IonicContact OD1-NH1 2.82Å; D641-R709 PolarHBondContact OD1-NH1 3.13Å |
| 642 | S | 90.5 | Very high | 91.7 | Very high | 63 Ų | 63 | 30.4 Ų | 30.4 | 44% | 0.441 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -65.1 | -39.3 | 174.4 | 68.5 | 0 | 0 | 0 | 0 | 112.2 | S640 A646 | S640-S642 PolarHBondContact O-N 3.44Å; S640-S642 PolarHBondContact OG-N 2.68Å; S640-S642 PolarHBondContact OG-OG 3.11Å; S642-A646 PolarHBondContact O-N 2.71Å; S642-A646 VanDerWaalsContact O-N 3.13Å |
| 643 | I | 91.8 | Very high | 91.8 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -71.6 | -43.8 | 178 | -64.2 | 174.9 | 0 | 0 | 0 | 109 | Y580 F583 W636 I639 S640 D641 L645 A646 F647 | Y580-I643 HydrophobicContact CD2-CD1 4.49Å; F583-I643 HydrophobicContact CB-CD1 4.36Å; F583-I643 HydrophobicContact CD1-CG1 4.06Å; F583-I643 HydrophobicContact CD2-CG2 3.89Å; F583-I643 HydrophobicContact CE1-CG1 4.4Å; F583-I643 HydrophobicContact CE2-CG2 3.92Å; F583-I643 HydrophobicContact CG-CD1 4.38Å; F583-I643 HydrophobicContact CG-CG1 4.2Å; F583-I643 HydrophobicContact CG-CG2 4.26Å; F583-I643 HydrophobicContact CZ-CG2 4.3Å; W636-I643 HydrophobicContact CB-CG2 3.97Å; W636-I643 HydrophobicContact CG-CG2 4.2Å; W636-I643 WeakPolarHBondContact O-CG2 3.4Å; I639-I643 HydrophobicContact CG2-CD1 4.34Å; S640-I643 PolarHBondContact O-N 3.07Å; S640-I643 VanDerWaalsContact O-N 3.13Å; D641-I643 VanDerWaalsContact C-N 3.34Å; D641-I643 PolarHBondContact O-N 2.77Å; I643-L645 VanDerWaalsContact C-N 3.35Å; I643-L645 PolarHBondContact O-N 2.75Å; I643-A646 PolarHBondContact O-N 3.28Å; I643-F647 HydrophobicContact CG2-CD2 3.69Å; I643-F647 HydrophobicContact CG2-CE2 3.73Å; I643-F647 WeakPolarHBondContact O-CD2 3.45Å; I643-F647 PolarHBondContact O-N 3.48Å |
| 644 | L | 93 | Very high | 91.8 | Very high | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -54.8 | -48.9 | 173.4 | 171.1 | 62.4 | 0 | 0 | 0 | 111.7 | T637 S640 D641 A646 F647 V648 C705 P712 | T637-L644 HydrophobicContact CG2-CD1 4Å; S640-L644 PolarHBondContact O-N 2.76Å; D641-L644 PolarHBondContact O-N 2.75Å; L644-A646 VanDerWaalsContact C-N 3.34Å; L644-A646 PolarHBondContact O-N 3.31Å; L644-F647 PolarHBondContact O-N 3.4Å; L644-V648 HydrophobicContact CD1-CG2 3.99Å; L644-V648 WeakPolarHBondContact O-CG2 3.25Å; L644-V648 PolarHBondContact O-N 2.73Å; L644-C705 HydrophobicContact CD1-CB 4.21Å; L644-P712 HydrophobicContact CD1-CG 4.43Å; L644-P712 HydrophobicContact CD2-CG 3.91Å; L644-P712 HydrophobicContact CG-CG 3.87Å |
| 645 | L | 93.5 | Very high | 91.9 | Very high | 80 Ų | 80 | 32.7 Ų | 32.7 | 42% | 0.419 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -59.6 | -43.2 | 178.2 | -75.3 | 167.7 | 0 | 0 | 0 | 112 | D641 I643 V648 N649 P712 | D641-L645 WeakPolarHBondContact O-CB 3.19Å; D641-L645 VanDerWaalsContact O-CG 3.23Å; D641-L645 WeakPolarHBondContact O-CG 3.49Å; D641-L645 PolarHBondContact O-N 3.13Å; I643-L645 VanDerWaalsContact C-N 3.35Å; I643-L645 PolarHBondContact O-N 2.75Å; L645-V648 PolarHBondContact O-N 2.79Å; L645-N649 VanDerWaalsContact O-CB 3.25Å; L645-N649 WeakPolarHBondContact O-CB 3.23Å; L645-N649 VanDerWaalsContact O-CG 3.29Å; L645-N649 PolarHBondContact O-N 3.39Å; L645-N649 PolarHBondContact O-ND2 3.36Å; L645-P712 HydrophobicContact CD2-CB 3.94Å; L645-P712 HydrophobicContact CD2-CG 4.08Å |
| 646 | A | 94.2 | Very high | 92.2 | Very high | 17 Ų | 17 | 33.5 Ų | 33.5 | 14% | 0.14 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.6 | -42.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | F583 S642 I643 L644 V648 D650 H651 | F583-A646 HydrophobicContact CE1-CB 4.08Å; F583-A646 HydrophobicContact CZ-CB 3.66Å; S642-A646 PolarHBondContact O-N 2.71Å; S642-A646 VanDerWaalsContact O-N 3.13Å; I643-A646 PolarHBondContact O-N 3.28Å; L644-A646 VanDerWaalsContact C-N 3.34Å; L644-A646 PolarHBondContact O-N 3.31Å; A646-V648 PolarHBondContact O-N 3.19Å; A646-D650 WeakPolarHBondContact O-CA 3.23Å; A646-D650 WeakPolarHBondContact O-CB 3.42Å; A646-D650 PolarHBondContact O-N 3.42Å; A646-H651 PolarHBondContact O-N 2.86Å |
| 647 | F | 95.5 | Very high | 92.3 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 0% | 0.004 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.5 | -41.6 | 176.2 | -93.7 | -75.7 | 0 | 0 | 0 | 112.9 | F583 V589 L593 C633 W636 T637 I643 L644 H651 H652 L653 | F583-F647 AromaticContact CD2-CE2 3.92Å; F583-F647 HydrophobicContact CD2-CE2 3.92Å; F583-F647 AromaticContact CE2-CD2 3.94Å; F583-F647 HydrophobicContact CE2-CD2 3.94Å; F583-F647 AromaticContact CE2-CE2 3.45Å; F583-F647 HydrophobicContact CE2-CE2 3.45Å; F583-F647 VanDerWaalsContact CE2-CE2 3.45Å; F583-F647 HydrophobicContact CE2-CZ 4.08Å; F583-F647 HydrophobicContact CZ-CE2 4.48Å; V589-F647 HydrophobicContact CG1-CE1 3.77Å; V589-F647 HydrophobicContact CG1-CZ 3.79Å; L593-F647 HydrophobicContact CD1-CE1 4.42Å; C633-F647 HydrophobicContact CB-CE1 4.13Å; W636-F647 HydrophobicContact CB-CD2 4.43Å; W636-F647 HydrophobicContact CB-CE2 3.61Å; W636-F647 HydrophobicContact CB-CZ 4.18Å; W636-F647 HydrophobicContact CD2-CE2 4.15Å; W636-F647 HydrophobicContact CD2-CZ 4.16Å; W636-F647 HydrophobicContact CE3-CE2 4.23Å; W636-F647 AromaticContact CE3-CZ 3.77Å; W636-F647 HydrophobicContact CE3-CZ 3.77Å; W636-F647 AromaticContact CG-CE2 3.94Å; W636-F647 HydrophobicContact CG-CE2 3.94Å; W636-F647 HydrophobicContact CG-CZ 4.38Å; W636-F647 HydrophobicContact CZ3-CZ 4.46Å; T637-F647 HydrophobicContact CG2-CB 4.09Å; T637-F647 HydrophobicContact CG2-CD2 4.03Å; T637-F647 HydrophobicContact CG2-CG 4.13Å; I643-F647 HydrophobicContact CG2-CD2 3.69Å; I643-F647 HydrophobicContact CG2-CE2 3.73Å; I643-F647 WeakPolarHBondContact O-CD2 3.45Å; I643-F647 PolarHBondContact O-N 3.48Å; L644-F647 PolarHBondContact O-N 3.4Å; F647-H651 HydrophobicContact CD1-CB 4.04Å; F647-H651 CarbonylContact O-C 3.27Å; F647-H651 PolarHBondContact O-N 3.37Å; F647-H652 PolarHBondContact O-N 3.44Å; F647-L653 HydrophobicContact CB-CB 4.06Å; F647-L653 HydrophobicContact CB-CD2 3.83Å; F647-L653 HydrophobicContact CD1-CD1 4.41Å; F647-L653 HydrophobicContact CG-CD2 4.38Å; F647-L653 VanDerWaalsContact O-CB 3.29Å; F647-L653 WeakPolarHBondContact O-CB 3.32Å; F647-L653 PolarHBondContact O-N 3.36Å |
| 648 | V | 94.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -71.8 | -42.6 | 179.7 | 171.8 | 0 | 0 | 0 | 0 | 111.8 | L644 L645 A646 I654 P712 K714 A715 | L644-V648 HydrophobicContact CD1-CG2 3.99Å; L644-V648 WeakPolarHBondContact O-CG2 3.25Å; L644-V648 PolarHBondContact O-N 2.73Å; L645-V648 PolarHBondContact O-N 2.79Å; A646-V648 PolarHBondContact O-N 3.19Å; V648-I654 HydrophobicContact CG1-CG1 4.21Å; V648-I654 HydrophobicContact CG2-CD1 4.32Å; V648-I654 HydrophobicContact CG2-CG1 4.16Å; V648-P712 HydrophobicContact CG1-CB 4.21Å; V648-P712 HydrophobicContact CG2-CB 4.49Å; V648-P712 HydrophobicContact CG2-CG 4.25Å; V648-K714 HydrophobicContact CG1-CB 4.03Å; V648-K714 HydrophobicContact CG1-CD 4.17Å; V648-K714 HydrophobicContact CG1-CG 4.31Å; V648-K714 PolarHBondContact O-NZ 3.37Å; V648-A715 HydrophobicContact CG1-CB 4.15Å; V648-A715 HydrophobicContact CG2-CB 4.46Å |
| 649 | N | 94.4 | Very high | 92.6 | Very high | 73 Ų | 73 | 33.7 Ų | 33.7 | 39% | 0.39 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -84.5 | -49.5 | -173.8 | -66.5 | -26.6 | 0 | 0 | 0 | 112.4 | L645 | L645-N649 VanDerWaalsContact O-CB 3.25Å; L645-N649 WeakPolarHBondContact O-CB 3.23Å; L645-N649 VanDerWaalsContact O-CG 3.29Å; L645-N649 PolarHBondContact O-N 3.39Å; L645-N649 PolarHBondContact O-ND2 3.36Å |
| 650 | D | 94.1 | Very high | 92.9 | Very high | 114 Ų | 114 | 32.6 Ų | 32.6 | 61% | 0.61 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | -28.8 | -168.4 | -53.1 | -30.3 | 0 | 0 | 0 | 112.6 | A646 | A646-D650 WeakPolarHBondContact O-CA 3.23Å; A646-D650 WeakPolarHBondContact O-CB 3.42Å; A646-D650 PolarHBondContact O-N 3.42Å |
| 651 | H | 94.1 | Very high | 93.1 | Very high | 40 Ų | 40 | 30.8 Ų | 30.8 | 19% | 0.185 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -107.6 | 3.3 | -176.4 | -61 | -41.8 | 0 | 0 | 0 | 114.9 | L593 A646 F647 L653 R656 | L593-H651 HydrophobicContact CD1-CB 3.7Å; A646-H651 PolarHBondContact O-N 2.86Å; F647-H651 HydrophobicContact CD1-CB 4.04Å; F647-H651 CarbonylContact O-C 3.27Å; F647-H651 PolarHBondContact O-N 3.37Å; H651-L653 VanDerWaalsContact C-N 3.28Å; H651-L653 PolarHBondContact O-N 3.11Å; H651-R656 PolarHBondContact O-NE 2.82Å |
| 652 | H | 94.2 | Very high | 93 | Very high | 80 Ų | 80 | 28.6 Ų | 28.6 | 37% | 0.37 | 16% | 0.155 | S | C | . | . | trans | 53.6 | 42.1 | 176.8 | -60.4 | -76.5 | 0 | 0 | 0 | 113.3 | I599 F647 I654 E655 R656 | I599-H652 HydrophobicContact CD1-CB 4.32Å; F647-H652 PolarHBondContact O-N 3.44Å; H652-I654 VanDerWaalsContact C-N 3.33Å; H652-I654 PolarHBondContact O-N 2.93Å; H652-E655 VanDerWaalsContact CA-OE2 3.23Å; H652-E655 WeakPolarHBondContact CA-OE2 3.49Å; H652-E655 HydrophobicContact CB-CB 4.22Å; H652-E655 HydrophobicContact CB-CG 4.44Å; H652-E655 IonicContact CE1-OE1 3.16Å; H652-E655 IonicContact CG-OE1 3.54Å; H652-E655 IonicContact ND1-OE1 3.12Å; H652-E655 PolarHBondContact ND1-OE1 3.24Å; H652-E655 PolarHBondContact O-N 2.72Å; H652-R656 WeakPolarHBondContact O-CG 3.45Å; H652-R656 PolarHBondContact O-N 3.45Å | ||
| 653 | L | 95.1 | Very high | 92.1 | Very high | 2 Ų | 2 | 30.8 Ų | 30.8 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.2 | -42.5 | -174.2 | -179.8 | 64.8 | 0 | 0 | 0 | 112.9 | M630 C633 T637 F647 H651 R656 C657 | M630-L653 HydrophobicContact SD-CD1 4.35Å; C633-L653 HydrophobicContact CB-CD1 3.95Å; T637-L653 HydrophobicContact CG2-CD2 3.58Å; F647-L653 HydrophobicContact CB-CB 4.06Å; F647-L653 HydrophobicContact CB-CD2 3.83Å; F647-L653 HydrophobicContact CD1-CD1 4.41Å; F647-L653 HydrophobicContact CG-CD2 4.38Å; F647-L653 VanDerWaalsContact O-CB 3.29Å; F647-L653 WeakPolarHBondContact O-CB 3.32Å; F647-L653 PolarHBondContact O-N 3.36Å; H651-L653 VanDerWaalsContact C-N 3.28Å; H651-L653 PolarHBondContact O-N 3.11Å; L653-R656 PolarHBondContact O-N 3.28Å; L653-C657 PolarHBondContact O-N 2.94Å; L653-C657 PolarHBondContact O-SG 2.98Å |
| 654 | I | 94.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.3 | -46.4 | -178.2 | -55.5 | -61.6 | 0 | 0 | 0 | 109.9 | V648 H652 R656 C657 L658 L702 A715 L718 L719 | V648-I654 HydrophobicContact CG1-CG1 4.21Å; V648-I654 HydrophobicContact CG2-CD1 4.32Å; V648-I654 HydrophobicContact CG2-CG1 4.16Å; H652-I654 VanDerWaalsContact C-N 3.33Å; H652-I654 PolarHBondContact O-N 2.93Å; I654-R656 VanDerWaalsContact C-N 3.31Å; I654-R656 PolarHBondContact O-N 3.37Å; I654-C657 PolarHBondContact O-N 2.93Å; I654-L658 HydrophobicContact CG2-CD1 3.91Å; I654-L658 HydrophobicContact CG2-CG 4.3Å; I654-L658 WeakPolarHBondContact O-CB 3.22Å; I654-L658 VanDerWaalsContact O-CG 3.3Å; I654-L658 WeakPolarHBondContact O-CG 3.45Å; I654-L658 PolarHBondContact O-N 2.88Å; I654-L702 HydrophobicContact CD1-CD2 3.61Å; I654-L702 HydrophobicContact CG2-CD2 4.25Å; I654-A715 HydrophobicContact CD1-CB 3.82Å; I654-A715 HydrophobicContact CG1-CB 3.85Å; I654-L718 HydrophobicContact CB-CD1 3.99Å; I654-L718 HydrophobicContact CG2-CB 3.81Å; I654-L718 HydrophobicContact CG2-CD1 4.02Å; I654-L719 HydrophobicContact CG2-CD2 4.26Å; I654-L719 HydrophobicContact CG2-CG 4.35Å |
| 655 | E | 93.3 | Very high | 88.5 | Confident | 50 Ų | 50 | 42.2 Ų | 42.2 | 23% | 0.234 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.9 | -41.2 | 177.2 | -57.1 | 92.5 | 136.6 | 0 | 0 | 111.2 | H652 S659 K714 L718 | H652-E655 VanDerWaalsContact CA-OE2 3.23Å; H652-E655 WeakPolarHBondContact CA-OE2 3.49Å; H652-E655 HydrophobicContact CB-CB 4.22Å; H652-E655 HydrophobicContact CB-CG 4.44Å; H652-E655 IonicContact CE1-OE1 3.16Å; H652-E655 IonicContact CG-OE1 3.54Å; H652-E655 IonicContact ND1-OE1 3.12Å; H652-E655 PolarHBondContact ND1-OE1 3.24Å; H652-E655 PolarHBondContact O-N 2.72Å; E655-S659 WeakPolarHBondContact O-CB 3.41Å; E655-S659 PolarHBondContact O-N 2.82Å; E655-K714 WeakPolarHBondContact OE1-CE 3.22Å; E655-K714 IonicContact OE1-NZ 3.73Å; E655-K714 PolarHBondContact OE1-NZ 3.11Å; E655-K714 IonicContact OE2-NZ 2.86Å; E655-L718 HydrophobicContact CG-CD1 4.09Å |
| 656 | R | 93.7 | Very high | 86.1 | Confident | 19 Ų | 19 | 43 Ų | 43 | 7% | 0.072 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.2 | -52.9 | 173.3 | -74.1 | 175.9 | -162.7 | -86.4 | -3.4 | 111.7 | L593 L597 I599 H651 H652 L653 I654 L658 S659 Y660 | L593-R656 PolarHBondContact O-NH1 3.39Å; L597-R656 PolarHBondContact O-NH1 3.06Å; I599-R656 HydrophobicContact CD1-CG 4.33Å; I599-R656 HydrophobicContact CG1-CG 3.46Å; I599-R656 VanDerWaalsContact CG1-CG 3.46Å; H651-R656 PolarHBondContact O-NE 2.82Å; H652-R656 WeakPolarHBondContact O-CG 3.45Å; H652-R656 PolarHBondContact O-N 3.45Å; L653-R656 PolarHBondContact O-N 3.28Å; I654-R656 VanDerWaalsContact C-N 3.31Å; I654-R656 PolarHBondContact O-N 3.37Å; R656-L658 VanDerWaalsContact C-N 3.33Å; R656-L658 PolarHBondContact O-N 3.46Å; R656-S659 WeakPolarHBondContact O-CB 3.46Å; R656-S659 PolarHBondContact O-N 3.15Å; R656-S659 VanDerWaalsContact O-N 3.14Å; R656-S659 PolarHBondContact O-OG 3.2Å; R656-Y660 HydrophobicContact CB-CE2 4.3Å; R656-Y660 WeakPolarHBondContact O-CD2 3.26Å; R656-Y660 WeakPolarHBondContact O-CE2 3.39Å; R656-Y660 PolarHBondContact O-N 2.99Å |
| 657 | C | 94.9 | Very high | 83.6 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.1 | -45.8 | 179.5 | -66.2 | 0 | 0 | 0 | 0 | 111.6 | L653 I654 S659 Y660 L661 L702 | L653-C657 PolarHBondContact O-N 2.94Å; L653-C657 PolarHBondContact O-SG 2.98Å; I654-C657 PolarHBondContact O-N 2.93Å; C657-S659 VanDerWaalsContact C-N 3.32Å; C657-S659 PolarHBondContact O-N 3.22Å; C657-Y660 PolarHBondContact O-N 3.13Å; C657-Y660 VanDerWaalsContact O-N 3.11Å; C657-L661 VanDerWaalsContact O-CG 3.3Å; C657-L661 WeakPolarHBondContact O-CG 3.2Å; C657-L661 PolarHBondContact O-N 3.05Å; C657-L702 HydrophobicContact CB-CD1 3.97Å; C657-L702 HydrophobicContact CB-CD2 3.61Å; C657-L702 HydrophobicContact CB-CG 3.64Å |
| 658 | L | 92.9 | Very high | 81.4 | Confident | 14 Ų | 14 | 51.7 Ų | 51.7 | 7% | 0.073 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.2 | -36 | 177.9 | -67.4 | 176.7 | 0 | 0 | 0 | 112 | I654 R656 Y660 L661 C662 L702 L719 N722 I726 | I654-L658 HydrophobicContact CG2-CD1 3.91Å; I654-L658 HydrophobicContact CG2-CG 4.3Å; I654-L658 WeakPolarHBondContact O-CB 3.22Å; I654-L658 VanDerWaalsContact O-CG 3.3Å; I654-L658 WeakPolarHBondContact O-CG 3.45Å; I654-L658 PolarHBondContact O-N 2.88Å; R656-L658 VanDerWaalsContact C-N 3.33Å; R656-L658 PolarHBondContact O-N 3.46Å; L658-Y660 PolarHBondContact O-N 3.09Å; L658-L661 PolarHBondContact O-N 2.77Å; L658-L661 VanDerWaalsContact O-N 3.11Å; L658-C662 PolarHBondContact O-N 3.07Å; L658-L702 HydrophobicContact CD2-CD1 4.31Å; L658-L719 HydrophobicContact CD2-CD2 4.27Å; L658-N722 HydrophobicContact CD1-CB 4.13Å; L658-I726 HydrophobicContact CD2-CD1 3.81Å; L658-I726 HydrophobicContact CD2-CG1 3.78Å |
| 659 | S | 89.6 | Confident | 79.2 | Confident | 20 Ų | 20 | 58 Ų | 58 | 14% | 0.14 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.5 | -19.6 | 175.1 | 81.1 | 0 | 0 | 0 | 0 | 113.8 | N600 E655 R656 C657 | N600-S659 PolarHBondContact N-OG 3.14Å; E655-S659 WeakPolarHBondContact O-CB 3.41Å; E655-S659 PolarHBondContact O-N 2.82Å; R656-S659 WeakPolarHBondContact O-CB 3.46Å; R656-S659 PolarHBondContact O-N 3.15Å; R656-S659 VanDerWaalsContact O-N 3.14Å; R656-S659 PolarHBondContact O-OG 3.2Å; C657-S659 VanDerWaalsContact C-N 3.32Å; C657-S659 PolarHBondContact O-N 3.22Å |
| 660 | Y | 92 | Very high | 77.3 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -98.5 | -9.8 | 176.1 | -51.5 | -39.7 | 0 | 0 | 0 | 113.9 | L597 P598 N600 P625 M630 R656 C657 L658 F681 L682 L694 Q695 | L597-Y660 HydrophobicContact CD1-CE2 3.67Å; L597-Y660 HydrophobicContact CG-CE2 4Å; L597-Y660 PolarHBondContact O-OH 2.99Å; L597-Y660 VanDerWaalsContact O-OH 3.06Å; P598-Y660 WeakPolarHBondContact O-CE1 3.31Å; P598-Y660 PolarHBondContact O-OH 3.1Å; N600-Y660 HydrophobicContact CB-CD1 4.19Å; N600-Y660 HydrophobicContact CB-CE1 4.08Å; P625-Y660 HydrophobicContact CB-CD1 4.47Å; P625-Y660 HydrophobicContact CB-CE1 3.73Å; P625-Y660 HydrophobicContact CB-CE2 4.4Å; P625-Y660 HydrophobicContact CG-CD1 4.5Å; P625-Y660 HydrophobicContact CG-CE1 3.98Å; M630-Y660 HydrophobicContact CE-CD2 3.63Å; M630-Y660 HydrophobicContact CE-CE2 3.55Å; R656-Y660 HydrophobicContact CB-CE2 4.3Å; R656-Y660 WeakPolarHBondContact O-CD2 3.26Å; R656-Y660 WeakPolarHBondContact O-CE2 3.39Å; R656-Y660 PolarHBondContact O-N 2.99Å; C657-Y660 PolarHBondContact O-N 3.13Å; C657-Y660 VanDerWaalsContact O-N 3.11Å; L658-Y660 PolarHBondContact O-N 3.09Å; Y660-F681 WeakPolarHBondContact O-CE2 3.35Å; Y660-F681 VanDerWaalsContact O-CZ 3.24Å; Y660-F681 WeakPolarHBondContact O-CZ 3.48Å; Y660-L682 HydrophobicContact CD1-CD2 4.19Å; Y660-L694 HydrophobicContact CD1-CD2 4.1Å; Y660-L694 HydrophobicContact CD2-CD1 4.11Å; Y660-L694 HydrophobicContact CD2-CD2 4.29Å; Y660-L694 HydrophobicContact CD2-CG 4.22Å; Y660-L694 HydrophobicContact CE2-CD1 4.36Å; Y660-L694 HydrophobicContact CG-CD2 3.96Å; Y660-L694 HydrophobicContact CG-CG 4.22Å; Y660-Q695 WeakPolarHBondContact O-CG 3.38Å |
| 661 | L | 91.1 | Very high | 75.4 | Confident | 3 Ų | 3 | 59.2 Ų | 59.2 | 2% | 0.016 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -114.9 | -43.3 | -174.8 | -67.2 | 174 | 0 | 0 | 0 | 113.6 | C657 L658 Q695 I699 L702 S729 W763 | C657-L661 VanDerWaalsContact O-CG 3.3Å; C657-L661 WeakPolarHBondContact O-CG 3.2Å; C657-L661 PolarHBondContact O-N 3.05Å; L658-L661 PolarHBondContact O-N 2.77Å; L658-L661 VanDerWaalsContact O-N 3.11Å; L661-Q695 HydrophobicContact CD2-CB 3.8Å; L661-Q695 HydrophobicContact CD2-CG 4.05Å; L661-I699 HydrophobicContact CD1-CG1 3.85Å; L661-I699 HydrophobicContact CD2-CD1 4.03Å; L661-I699 HydrophobicContact CD2-CG1 3.62Å; L661-I699 HydrophobicContact CG-CG1 4.41Å; L661-L702 HydrophobicContact CD1-CD1 3.63Å; L661-S729 WeakPolarHBondContact O-CB 3.46Å; L661-S729 PolarHBondContact O-OG 3.34Å; L661-W763 HydrophobicContact CB-CH2 4.22Å; L661-W763 HydrophobicContact CD1-CH2 4.24Å; L661-W763 HydrophobicContact CD2-CH2 4.13Å; L661-W763 HydrophobicContact CD2-CZ2 3.91Å; L661-W763 HydrophobicContact CG-CH2 4.44Å |
| 662 | C | 85.4 | Confident | 73.9 | Confident | 21 Ų | 21 | 63 Ų | 63 | 14% | 0.142 | 35% | 0.351 | C | S | . | . | trans | -100.1 | 127.3 | -171.7 | -62.2 | 0 | 0 | 0 | 0 | 110.1 | L658 D725 | L658-C662 PolarHBondContact O-N 3.07Å; C662-D725 HydrophobicContact CB-CB 4.13Å | ||
| 663 | Y | 72.1 | Confident | 72.9 | Confident | 110 Ų | 110 | 61.1 Ų | 61.1 | 43% | 0.431 | 34% | 0.343 | S | S | . | . | trans | -122.9 | 139.8 | 174.1 | -178 | -116.1 | 0 | 0 | 0 | 109.9 | D665 F681 | Y663-D665 HydrophobicContact CD1-CB 4.11Å; Y663-D665 HydrophobicContact CE1-CB 3.38Å; Y663-D665 VanDerWaalsContact CZ-OD2 3.3Å; Y663-D665 PolarHBondContact OH-OD2 3.23Å; Y663-F681 HydrophobicContact CD1-CB 4.43Å; Y663-F681 HydrophobicContact CD2-CB 3.29Å; Y663-F681 HydrophobicContact CD2-CD2 4.45Å; Y663-F681 AromaticContact CD2-CG 3.89Å; Y663-F681 HydrophobicContact CD2-CG 3.89Å; Y663-F681 HydrophobicContact CE2-CB 3.65Å; Y663-F681 HydrophobicContact CG-CB 3.73Å; Y663-F681 HydrophobicContact CG-CD1 4.17Å; Y663-F681 AromaticContact CG-CG 4Å; Y663-F681 HydrophobicContact CG-CG 4Å | ||
| 664 | K | 57.9 | Low | 72 | Confident | 138 Ų | 138 | 63.8 Ų | 63.8 | 60% | 0.6 | 36% | 0.36 | S | S | * | . | trans | -98.6 | 2.6 | -167.8 | -71.2 | -165.6 | 173.6 | -173.1 | 0 | 115.9 | S666 D725 | K664-S666 PolarHBondContact O-N 3.28Å; K664-D725 WeakPolarHBondContact CE-OD2 3.22Å | ||
| 665 | D | 52.5 | Low | 71.2 | Confident | 105 Ų | 105 | 64.2 Ų | 64.2 | 56% | 0.561 | 36% | 0.363 | S | S | * | . | trans | -79.3 | 129.2 | 176.3 | -71.9 | -16.8 | 0 | 0 | 0 | 112.8 | Y663 | Y663-D665 HydrophobicContact CD1-CB 4.11Å; Y663-D665 HydrophobicContact CE1-CB 3.38Å; Y663-D665 VanDerWaalsContact CZ-OD2 3.3Å; Y663-D665 PolarHBondContact OH-OD2 3.23Å | ||
| 666 | S | 42.2 | Very low | 70.4 | Confident | 96 Ų | 96 | 64.2 Ų | 64.2 | 67% | 0.671 | 37% | 0.368 | S | S | * | . | trans | -81.8 | 144 | 170.7 | 51.6 | 0 | 0 | 0 | 0 | 110.1 | K664 | K664-S666 PolarHBondContact O-N 3.28Š| ||
| 667 | T | 41.6 | Very low | 69.7 | Low | 133 Ų | 133 | 67.3 Ų | 67.3 | 82% | 0.816 | 39% | 0.386 | S | S | * | . | trans | 86.1 | 26.7 | 156.2 | 76 | 0 | 0 | 0 | 0 | 120.9 | N669 | T667-N669 PolarHBondContact O-N 3.04Š| ||
| 668 | G | 49.9 | Very low | 69.1 | Low | 68 Ų | 68 | 68.2 Ų | 68.2 | 70% | 0.701 | 39% | 0.391 | S | S | * | . | trans | -67.9 | 119.6 | 156.9 | 0 | 0 | 0 | 0 | 0 | 110 | Q670 | G668-Q670 PolarHBondContact O-N 3.34Š| ||
| 669 | N | 48.3 | Very low | 68.7 | Low | 132 Ų | 132 | 67.5 Ų | 67.5 | 71% | 0.706 | 39% | 0.387 | S | S | * | . | trans | -43.4 | 114.5 | 173.8 | -87.9 | -16.8 | 0 | 0 | 0 | 110.1 | T667 S671 N672 | T667-N669 PolarHBondContact O-N 3.04Å; N669-S671 PolarHBondContact O-N 2.89Å; N669-N672 PolarHBondContact O-N 3.32Å; N669-N672 VanDerWaalsContact O-N 3.17Å | ||
| 670 | Q | 52.9 | Low | 68.1 | Low | 129 Ų | 129 | 68.7 Ų | 68.7 | 60% | 0.603 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | -54.2 | -20.3 | -179.7 | -72.4 | -179.9 | -16.3 | 0 | 0 | 112.7 | G668 N672 | G668-Q670 PolarHBondContact O-N 3.34Å; Q670-N672 VanDerWaalsContact C-N 3.26Å; Q670-N672 PolarHBondContact O-N 3.31Å |
| 671 | S | 55.1 | Low | 67.6 | Low | 83 Ų | 83 | 70.4 Ų | 70.4 | 58% | 0.58 | 41% | 0.41 | S | S | * | . | G | 310 helix | trans | -65.6 | -20.4 | -179.2 | 65.3 | 0 | 0 | 0 | 0 | 115 | N669 | N669-S671 PolarHBondContact O-N 2.89Š|
| 672 | N | 63.7 | Low | 67.3 | Low | 119 Ų | 119 | 70.4 Ų | 70.4 | 64% | 0.636 | 41% | 0.41 | S | S | * | . | G | 310 helix | trans | -124.4 | 36.2 | -171.4 | -64.5 | 8 | 0 | 0 | 0 | 113.2 | N669 Q670 N677 | N669-N672 PolarHBondContact O-N 3.32Å; N669-N672 VanDerWaalsContact O-N 3.17Å; Q670-N672 VanDerWaalsContact C-N 3.26Å; Q670-N672 PolarHBondContact O-N 3.31Å; N672-N677 PolarHBondContact O-ND2 3.5Å |
| 673 | L | 72.5 | Confident | 67 | Low | 42 Ų | 42 | 73 Ų | 73 | 22% | 0.22 | 42% | 0.42 | C | S | . | . | trans | -74.5 | 128.9 | 176.1 | -163.2 | 68.5 | 0 | 0 | 0 | 110.3 | N677 L678 N732 L736 | L673-N677 HydrophobicContact CD1-CB 3.74Å; L673-L678 HydrophobicContact CD2-CD2 4.29Å; L673-N732 HydrophobicContact CD2-CB 4.05Å; L673-N732 WeakPolarHBondContact CD2-O 3.31Å; L673-L736 HydrophobicContact CD2-CB 3.92Å; L673-L736 HydrophobicContact CG-CB 4.47Å; L673-L736 VanDerWaalsContact O-CD1 3.22Å; L673-L736 WeakPolarHBondContact O-CD1 3.44Å | ||
| 674 | T | 76.6 | Confident | 67.3 | Low | 58 Ų | 58 | 70 Ų | 70 | 36% | 0.356 | 41% | 0.412 | S | S | . | . | trans | -121.5 | 166.2 | 173.1 | 55.3 | 0 | 0 | 0 | 0 | 110.1 | S676 N677 L678 | T674-S676 PolarHBondContact O-N 2.86Å; T674-S676 PolarHBondContact OG1-OG 2.81Å; T674-N677 WeakPolarHBondContact O-CB 3.17Å; T674-N677 PolarHBondContact O-N 3.44Å; T674-N677 VanDerWaalsContact OG1-CG 3.25Å; T674-N677 PolarHBondContact OG1-OD1 2.69Å; T674-L678 PolarHBondContact O-N 3.5Å | ||
| 675 | T | 76.4 | Confident | 68.4 | Low | 9 Ų | 9 | 65 Ų | 65 | 6% | 0.055 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -54.2 | -41 | 174.6 | 47.8 | 0 | 0 | 0 | 0 | 111.8 | N677 L678 L736 D753 L756 | T675-N677 PolarHBondContact O-N 2.91Å; T675-L678 PolarHBondContact O-N 3.43Å; T675-L736 HydrophobicContact CG2-CD2 4.02Å; T675-D753 WeakPolarHBondContact CG2-OD1 3.45Å; T675-L756 HydrophobicContact CG2-CD1 4.16Å; T675-L756 HydrophobicContact CG2-CD2 4.42Å; T675-L756 HydrophobicContact CG2-CG 4.37Å |
| 676 | S | 76.6 | Confident | 69.9 | Low | 50 Ų | 50 | 60 Ų | 60 | 35% | 0.35 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -59.2 | -32.7 | 175 | 61.2 | 0 | 0 | 0 | 0 | 113.2 | T674 V679 G680 | T674-S676 PolarHBondContact O-N 2.86Å; T674-S676 PolarHBondContact OG1-OG 2.81Å; S676-V679 PolarHBondContact O-N 3.22Å; S676-G680 WeakPolarHBondContact O-CA 3.33Å; S676-G680 PolarHBondContact O-N 3.06Å |
| 677 | N | 80.6 | Confident | 72 | Confident | 84 Ų | 84 | 55.9 Ų | 55.9 | 45% | 0.449 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -72.8 | -32.5 | -178.6 | -66.2 | 13.8 | 0 | 0 | 0 | 112.2 | N672 L673 T674 T675 V679 G680 | N672-N677 PolarHBondContact O-ND2 3.5Å; L673-N677 HydrophobicContact CD1-CB 3.74Å; T674-N677 WeakPolarHBondContact O-CB 3.17Å; T674-N677 PolarHBondContact O-N 3.44Å; T674-N677 VanDerWaalsContact OG1-CG 3.25Å; T674-N677 PolarHBondContact OG1-OD1 2.69Å; T675-N677 PolarHBondContact O-N 2.91Å; N677-V679 PolarHBondContact O-N 2.94Å; N677-G680 PolarHBondContact O-N 2.96Å |
| 678 | L | 82.2 | Confident | 74 | Confident | 18 Ų | 18 | 50.8 Ų | 50.8 | 9% | 0.094 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.5 | -21.3 | 174.9 | -71.6 | -177.4 | 0 | 0 | 0 | 113.1 | L673 T674 T675 F681 Q695 N732 L736 L756 L759 | L673-L678 HydrophobicContact CD2-CD2 4.29Å; T674-L678 PolarHBondContact O-N 3.5Å; T675-L678 PolarHBondContact O-N 3.43Å; L678-F681 WeakPolarHBondContact O-CE1 3.44Å; L678-Q695 PolarHBondContact O-NE2 3.06Å; L678-N732 HydrophobicContact CD2-CB 3.91Å; L678-L736 HydrophobicContact CD1-CD2 3.52Å; L678-L736 HydrophobicContact CG-CD2 3.96Å; L678-L756 HydrophobicContact CD1-CD2 3.76Å; L678-L759 HydrophobicContact CD1-CD2 4.33Å |
| 679 | V | 83.6 | Confident | 75.6 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -114.8 | -9.8 | -171.7 | -169 | 0 | 0 | 0 | 0 | 110.8 | R614 S676 N677 F681 L682 A691 I692 | R614-V679 PolarHBondContact NH2-O 3.17Å; S676-V679 PolarHBondContact O-N 3.22Å; N677-V679 PolarHBondContact O-N 2.94Å; V679-F681 PolarHBondContact O-N 2.7Å; V679-L682 HydrophobicContact CG1-CB 4.25Å; V679-L682 HydrophobicContact CG1-CD1 3.84Å; V679-L682 HydrophobicContact CG1-CG 4.41Å; V679-L682 WeakPolarHBondContact O-CB 3.21Å; V679-L682 PolarHBondContact O-N 2.95Å; V679-A691 HydrophobicContact CB-CB 4.5Å; V679-A691 HydrophobicContact CG1-CB 3.1Å; V679-I692 HydrophobicContact CG2-CG1 3.81Å |
| 680 | G | 76.6 | Confident | 77.5 | Confident | 45 Ų | 45 | 43.8 Ų | 43.8 | 46% | 0.464 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -22.9 | -168.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | S676 N677 | S676-G680 WeakPolarHBondContact O-CA 3.33Å; S676-G680 PolarHBondContact O-N 3.06Å; N677-G680 PolarHBondContact O-N 2.96Å |
| 681 | F | 81.1 | Confident | 79.2 | Confident | 35 Ų | 35 | 37.6 Ų | 37.6 | 15% | 0.154 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -11.5 | 176.5 | 69.2 | -91.1 | 0 | 0 | 0 | 114.6 | N600 Y660 Y663 L678 V679 | N600-F681 PolarHBondContact ND2-O 3.34Å; Y660-F681 WeakPolarHBondContact O-CE2 3.35Å; Y660-F681 VanDerWaalsContact O-CZ 3.24Å; Y660-F681 WeakPolarHBondContact O-CZ 3.48Å; Y663-F681 HydrophobicContact CD1-CB 4.43Å; Y663-F681 HydrophobicContact CD2-CB 3.29Å; Y663-F681 HydrophobicContact CD2-CD2 4.45Å; Y663-F681 AromaticContact CD2-CG 3.89Å; Y663-F681 HydrophobicContact CD2-CG 3.89Å; Y663-F681 HydrophobicContact CE2-CB 3.65Å; Y663-F681 HydrophobicContact CG-CB 3.73Å; Y663-F681 HydrophobicContact CG-CD1 4.17Å; Y663-F681 AromaticContact CG-CG 4Å; Y663-F681 HydrophobicContact CG-CG 4Å; L678-F681 WeakPolarHBondContact O-CE1 3.44Å; V679-F681 PolarHBondContact O-N 2.7Å |
| 682 | L | 85 | Confident | 80.8 | Confident | 4 Ų | 4 | 33.8 Ų | 33.8 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -83.9 | 161.3 | 175 | -62.2 | 177.4 | 0 | 0 | 0 | 111.2 | R614 Y660 V679 N684 A691 L694 Q695 | R614-L682 PolarHBondContact NH2-O 3.41Å; Y660-L682 HydrophobicContact CD1-CD2 4.19Å; V679-L682 HydrophobicContact CG1-CB 4.25Å; V679-L682 HydrophobicContact CG1-CD1 3.84Å; V679-L682 HydrophobicContact CG1-CG 4.41Å; V679-L682 WeakPolarHBondContact O-CB 3.21Å; V679-L682 PolarHBondContact O-N 2.95Å; L682-N684 PolarHBondContact O-N 3.3Å; L682-A691 HydrophobicContact CD1-CB 3.96Å; L682-L694 HydrophobicContact CD1-CD2 4.47Å; L682-Q695 HydrophobicContact CD1-CG 4.34Å |
| 683 | H | 79.9 | Confident | 81.9 | Confident | 74 Ų | 74 | 28.8 Ų | 28.8 | 34% | 0.343 | 17% | 0.173 | S | C | . | . | trans | -53.1 | 127 | -175.9 | -166 | -83.4 | 0 | 0 | 0 | 113.2 | A685 L686 | H683-A685 VanDerWaalsContact CE1-CB 3.45Å; H683-A685 WeakPolarHBondContact CE1-CB 3.34Å; H683-A685 VanDerWaalsContact ND1-CB 3.33Å; H683-A685 WeakPolarHBondContact ND1-CB 3.36Å; H683-A685 PolarHBondContact ND1-N 3.18Å; H683-A685 VanDerWaalsContact ND1-N 3.19Å; H683-A685 PolarHBondContact O-N 2.92Å; H683-A685 VanDerWaalsContact O-N 3.15Å; H683-L686 VanDerWaalsContact O-CB 3.29Å; H683-L686 WeakPolarHBondContact O-CB 3.28Å; H683-L686 PolarHBondContact O-N 3.16Å | ||
| 684 | N | 77.5 | Confident | 82.9 | Confident | 49 Ų | 49 | 26.8 Ų | 26.8 | 26% | 0.262 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -21.6 | -174.3 | -73.1 | -19.9 | 0 | 0 | 0 | 114.8 | R614 P615 L682 L686 | R614-N684 WeakPolarHBondContact CG-O 3.26Å; P615-N684 VanDerWaalsContact CD-O 3.27Å; P615-N684 WeakPolarHBondContact CD-O 3.15Å; L682-N684 PolarHBondContact O-N 3.3Å; N684-L686 PolarHBondContact O-N 3.31Å |
| 685 | A | 81.1 | Confident | 83.6 | Confident | 32 Ų | 32 | 24.4 Ų | 24.4 | 26% | 0.264 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -11 | 174 | 0 | 0 | 0 | 0 | 0 | 113.6 | P615 I624 H683 P687 | P615-A685 VanDerWaalsContact CG-O 3.27Å; P615-A685 WeakPolarHBondContact CG-O 3.44Å; I624-A685 HydrophobicContact CD1-CB 3.95Å; H683-A685 VanDerWaalsContact CE1-CB 3.45Å; H683-A685 WeakPolarHBondContact CE1-CB 3.34Å; H683-A685 VanDerWaalsContact ND1-CB 3.33Å; H683-A685 WeakPolarHBondContact ND1-CB 3.36Å; H683-A685 PolarHBondContact ND1-N 3.18Å; H683-A685 VanDerWaalsContact ND1-N 3.19Å; H683-A685 PolarHBondContact O-N 2.92Å; H683-A685 VanDerWaalsContact O-N 3.15Å; A685-P687 WeakPolarHBondContact O-CD 3.41Å |
| 686 | L | 84.3 | Confident | 84.3 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -85.7 | 118.2 | 179.8 | -169 | 65.4 | 0 | 0 | 0 | 109.8 | R614 L618 I624 H683 N684 L690 A691 L694 | R614-L686 PolarHBondContact NH1-O 3.28Å; L618-L686 HydrophobicContact CD1-CD1 3.89Å; I624-L686 HydrophobicContact CG2-CB 4.4Å; I624-L686 HydrophobicContact CG2-CD1 3.95Å; H683-L686 VanDerWaalsContact O-CB 3.29Å; H683-L686 WeakPolarHBondContact O-CB 3.28Å; H683-L686 PolarHBondContact O-N 3.16Å; N684-L686 PolarHBondContact O-N 3.31Å; L686-L690 HydrophobicContact CD1-CB 3.76Å; L686-L690 HydrophobicContact CD1-CD1 4.28Å; L686-L690 HydrophobicContact CG-CB 4.18Å; L686-A691 HydrophobicContact CD2-CB 3.57Å; L686-A691 HydrophobicContact CG-CB 3.88Å; L686-L694 HydrophobicContact CD2-CD2 4.13Å |
| 687 | P | 85.6 | Confident | 84.9 | Confident | 10 Ų | 10 | 22.4 Ų | 22.4 | 7% | 0.065 | 13% | 0.132 | C | C | . | . | trans | -53.1 | 148.6 | 173.4 | -25.8 | 33.1 | 0 | 0 | 0 | 112.3 | P615 A685 C689 L690 A691 | P615-P687 WeakPolarHBondContact O-CB 3.46Å; P615-P687 WeakPolarHBondContact O-CG 3.19Å; A685-P687 WeakPolarHBondContact O-CD 3.41Å; P687-C689 VanDerWaalsContact C-N 3.32Å; P687-C689 PolarHBondContact O-N 3.16Å; P687-L690 HydrophobicContact CG-CD1 4.17Å; P687-L690 PolarHBondContact O-N 2.81Å; P687-A691 WeakPolarHBondContact O-CB 2.99Å; P687-A691 PolarHBondContact O-N 3.12Å | ||
| 688 | I | 84.1 | Confident | 85.6 | Confident | 25 Ų | 25 | 18.4 Ų | 18.4 | 13% | 0.128 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -57.3 | -45.1 | -174.4 | -67.1 | 169.9 | 0 | 0 | 0 | 111.3 | L690 A691 I692 E752 | I688-L690 PolarHBondContact O-N 2.79Å; I688-A691 PolarHBondContact O-N 3.43Å; I688-I692 HydrophobicContact CG2-CD1 3.97Å; I688-I692 WeakPolarHBondContact O-CG1 3.43Å; I688-I692 PolarHBondContact O-N 3.43Å; I688-E752 WeakPolarHBondContact CD1-OE1 3.12Å; I688-E752 WeakPolarHBondContact CD1-OE2 3.45Å; I688-E752 HydrophobicContact CG2-CB 4.36Å; I688-E752 HydrophobicContact CG2-CG 4.14Å |
| 689 | C | 84.7 | Confident | 86.1 | Confident | 32 Ų | 32 | 17.6 Ų | 17.6 | 22% | 0.216 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -59.2 | -48.1 | 178.8 | -55.6 | 0 | 0 | 0 | 0 | 112.4 | P687 A691 I692 Q693 F755 | P687-C689 VanDerWaalsContact C-N 3.32Å; P687-C689 PolarHBondContact O-N 3.16Å; C689-A691 VanDerWaalsContact C-N 3.27Å; C689-A691 PolarHBondContact O-N 3.47Å; C689-I692 PolarHBondContact O-N 3.38Å; C689-Q693 VanDerWaalsContact O-CG 3.29Å; C689-Q693 WeakPolarHBondContact O-CG 3.3Å; C689-Q693 PolarHBondContact O-N 3.18Å; C689-F755 HydrophobicContact CB-CE1 4.45Å; C689-F755 HydrophobicContact CB-CE2 3.96Å; C689-F755 HydrophobicContact CB-CZ 3.84Å; C689-F755 VanDerWaalsContact SG-CE2 3.57Å |
| 690 | L | 86.5 | Confident | 86.4 | Confident | 21 Ų | 21 | 18 Ų | 18 | 11% | 0.11 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -65.3 | -33.7 | 178 | -68.5 | -177.6 | 0 | 0 | 0 | 111.5 | L618 P627 L686 P687 I688 Q693 L694 V1003 | L618-L690 HydrophobicContact CB-CD1 4.34Å; L618-L690 HydrophobicContact CD1-CD1 4.19Å; P627-L690 HydrophobicContact CG-CB 4.4Å; P627-L690 WeakPolarHBondContact CG-O 3.43Å; L686-L690 HydrophobicContact CD1-CB 3.76Å; L686-L690 HydrophobicContact CD1-CD1 4.28Å; L686-L690 HydrophobicContact CG-CB 4.18Å; P687-L690 HydrophobicContact CG-CD1 4.17Å; P687-L690 PolarHBondContact O-N 2.81Å; I688-L690 PolarHBondContact O-N 2.79Å; L690-Q693 PolarHBondContact O-N 3.06Å; L690-L694 WeakPolarHBondContact O-CB 3.23Å; L690-L694 PolarHBondContact O-N 3.2Å; L690-V1003 HydrophobicContact CD2-CG1 4.07Å |
| 691 | A | 88.9 | Confident | 87 | Confident | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -72.8 | -36.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | V679 L682 L686 P687 I688 C689 L694 Q695 | V679-A691 HydrophobicContact CB-CB 4.5Å; V679-A691 HydrophobicContact CG1-CB 3.1Å; L682-A691 HydrophobicContact CD1-CB 3.96Å; L686-A691 HydrophobicContact CD2-CB 3.57Å; L686-A691 HydrophobicContact CG-CB 3.88Å; P687-A691 WeakPolarHBondContact O-CB 2.99Å; P687-A691 PolarHBondContact O-N 3.12Å; I688-A691 PolarHBondContact O-N 3.43Å; C689-A691 VanDerWaalsContact C-N 3.27Å; C689-A691 PolarHBondContact O-N 3.47Å; A691-L694 WeakPolarHBondContact O-CB 3.37Å; A691-L694 PolarHBondContact O-N 3.39Å; A691-Q695 PolarHBondContact O-N 2.74Å |
| 692 | I | 89 | Confident | 87.6 | Confident | 2 Ų | 2 | 14.2 Ų | 14.2 | 1% | 0.01 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -66.8 | -40.8 | 170.4 | -63.5 | 169.2 | 0 | 0 | 0 | 110.5 | V679 I688 C689 L694 Q695 I696 F755 L759 | V679-I692 HydrophobicContact CG2-CG1 3.81Å; I688-I692 HydrophobicContact CG2-CD1 3.97Å; I688-I692 WeakPolarHBondContact O-CG1 3.43Å; I688-I692 PolarHBondContact O-N 3.43Å; C689-I692 PolarHBondContact O-N 3.38Å; I692-L694 VanDerWaalsContact C-N 3.28Å; I692-L694 PolarHBondContact O-N 3.46Å; I692-Q695 WeakPolarHBondContact O-CB 3.5Å; I692-Q695 PolarHBondContact O-N 2.91Å; I692-Q695 VanDerWaalsContact O-N 3.14Å; I692-I696 HydrophobicContact CG2-CD1 3.97Å; I692-I696 HydrophobicContact CG2-CG1 4.42Å; I692-I696 WeakPolarHBondContact O-CG1 3.46Å; I692-I696 PolarHBondContact O-N 3.49Å; I692-F755 HydrophobicContact CB-CB 4.31Å; I692-F755 HydrophobicContact CD1-CB 3.85Å; I692-F755 HydrophobicContact CG2-CB 3.79Å; I692-L759 HydrophobicContact CG2-CB 4.23Å; I692-L759 HydrophobicContact CG2-CD2 4.15Å |
| 693 | Q | 87.9 | Confident | 87.8 | Confident | 14 Ų | 14 | 14 Ų | 14 | 7% | 0.065 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -61.4 | -37 | 173.9 | -72.7 | 172.9 | 2.3 | 0 | 0 | 112.5 | P627 C689 L690 Q695 I696 E697 F755 F1005 | P627-Q693 HydrophobicContact CB-CB 3.99Å; P627-Q693 HydrophobicContact CG-CB 3.92Å; C689-Q693 VanDerWaalsContact O-CG 3.29Å; C689-Q693 WeakPolarHBondContact O-CG 3.3Å; C689-Q693 PolarHBondContact O-N 3.18Å; L690-Q693 PolarHBondContact O-N 3.06Å; Q693-Q695 VanDerWaalsContact C-N 3.31Å; Q693-Q695 PolarHBondContact O-N 3.15Å; Q693-I696 PolarHBondContact O-N 3.5Å; Q693-E697 WeakPolarHBondContact O-CB 3.44Å; Q693-E697 PolarHBondContact O-N 3.27Å; Q693-F755 HydrophobicContact CG-CE1 4.38Å; Q693-F1005 VanDerWaalsContact NE2-N 3.17Å |
| 694 | L | 92.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -60.5 | -43.3 | 174.1 | -179.1 | 64.2 | 0 | 0 | 0 | 110.7 | L597 P625 P627 M630 Y660 L682 L686 L690 A691 I692 S698 | L597-L694 HydrophobicContact CD1-CD1 4.14Å; P625-L694 HydrophobicContact CB-CD1 4.38Å; P625-L694 HydrophobicContact CB-CD2 3.73Å; P625-L694 HydrophobicContact CG-CD2 3.7Å; P627-L694 HydrophobicContact CG-CB 4Å; M630-L694 HydrophobicContact CB-CD1 4.29Å; Y660-L694 HydrophobicContact CD1-CD2 4.1Å; Y660-L694 HydrophobicContact CD2-CD1 4.11Å; Y660-L694 HydrophobicContact CD2-CD2 4.29Å; Y660-L694 HydrophobicContact CD2-CG 4.22Å; Y660-L694 HydrophobicContact CE2-CD1 4.36Å; Y660-L694 HydrophobicContact CG-CD2 3.96Å; Y660-L694 HydrophobicContact CG-CG 4.22Å; L682-L694 HydrophobicContact CD1-CD2 4.47Å; L686-L694 HydrophobicContact CD2-CD2 4.13Å; L690-L694 WeakPolarHBondContact O-CB 3.23Å; L690-L694 PolarHBondContact O-N 3.2Å; A691-L694 WeakPolarHBondContact O-CB 3.37Å; A691-L694 PolarHBondContact O-N 3.39Å; I692-L694 VanDerWaalsContact C-N 3.28Å; I692-L694 PolarHBondContact O-N 3.46Å; L694-S698 VanDerWaalsContact O-CB 3.28Å; L694-S698 WeakPolarHBondContact O-CB 3.29Å; L694-S698 PolarHBondContact O-N 2.84Å; L694-S698 PolarHBondContact O-OG 3.25Å |
| 695 | Q | 92.5 | Very high | 88.5 | Confident | 8 Ų | 8 | 8.3 Ų | 8.3 | 4% | 0.037 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -62.6 | -49.2 | 174.7 | -68.8 | -175.9 | -15 | 0 | 0 | 111.6 | Y660 L661 L678 L682 A691 I692 Q693 E697 S698 I699 L759 | Y660-Q695 WeakPolarHBondContact O-CG 3.38Å; L661-Q695 HydrophobicContact CD2-CB 3.8Å; L661-Q695 HydrophobicContact CD2-CG 4.05Å; L678-Q695 PolarHBondContact O-NE2 3.06Å; L682-Q695 HydrophobicContact CD1-CG 4.34Å; A691-Q695 PolarHBondContact O-N 2.74Å; I692-Q695 WeakPolarHBondContact O-CB 3.5Å; I692-Q695 PolarHBondContact O-N 2.91Å; I692-Q695 VanDerWaalsContact O-N 3.14Å; Q693-Q695 VanDerWaalsContact C-N 3.31Å; Q693-Q695 PolarHBondContact O-N 3.15Å; Q695-E697 VanDerWaalsContact C-N 3.32Å; Q695-E697 PolarHBondContact O-N 2.82Å; Q695-S698 WeakPolarHBondContact O-CB 3.44Å; Q695-S698 PolarHBondContact O-N 2.76Å; Q695-I699 VanDerWaalsContact O-CG1 3.3Å; Q695-I699 WeakPolarHBondContact O-CG1 3.48Å; Q695-I699 PolarHBondContact O-N 3.02Å; Q695-L759 HydrophobicContact CB-CD1 3.89Å |
| 696 | I | 89.9 | Confident | 88.6 | Confident | 11 Ų | 11 | 7.7 Ų | 7.7 | 6% | 0.056 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -54.1 | -50.1 | 177.6 | -70 | 166.6 | 0 | 0 | 0 | 110.6 | I692 Q693 S698 I699 R700 P758 L759 | I692-I696 HydrophobicContact CG2-CD1 3.97Å; I692-I696 HydrophobicContact CG2-CG1 4.42Å; I692-I696 WeakPolarHBondContact O-CG1 3.46Å; I692-I696 PolarHBondContact O-N 3.49Å; Q693-I696 PolarHBondContact O-N 3.5Å; I696-S698 VanDerWaalsContact C-N 3.33Å; I696-S698 PolarHBondContact O-N 2.87Å; I696-I699 PolarHBondContact O-N 3.2Å; I696-R700 VanDerWaalsContact O-CG 3.28Å; I696-R700 WeakPolarHBondContact O-CG 3.38Å; I696-R700 PolarHBondContact O-N 3.44Å; I696-P758 HydrophobicContact CD1-CB 4.06Å; I696-P758 HydrophobicContact CD1-CG 4.03Å; I696-L759 HydrophobicContact CD1-CB 4.33Å; I696-L759 HydrophobicContact CG1-CB 4.1Å; I696-L759 HydrophobicContact CG1-CD1 3.82Å |
| 697 | E | 90.3 | Very high | 88.2 | Confident | 7 Ų | 7 | 8.7 Ų | 8.7 | 3% | 0.033 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -71.2 | -30.1 | -177.3 | -156.7 | 63.1 | -160.7 | 0 | 0 | 112.6 | M630 R631 R634 Q693 Q695 R700 C701 | M630-E697 HydrophobicContact CB-CB 4.24Å; M630-E697 HydrophobicContact CB-CG 4.06Å; M630-E697 HydrophobicContact CG-CB 4.1Å; M630-E697 HydrophobicContact CG-CG 4.03Å; R631-E697 VanDerWaalsContact CA-OE1 3.24Å; R631-E697 WeakPolarHBondContact CA-OE1 3.3Å; R631-E697 HydrophobicContact CB-CG 3.74Å; R631-E697 WeakPolarHBondContact CB-OE1 3.37Å; R631-E697 WeakPolarHBondContact CG-OE1 3.33Å; R634-E697 IonicContact CZ-OE1 3.07Å; R634-E697 VanDerWaalsContact CZ-OE1 3.25Å; R634-E697 IonicContact NE-OE1 2.85Å; R634-E697 PolarHBondContact NE-OE1 2.7Å; R634-E697 IonicContact NH2-OE1 2.74Å; R634-E697 PolarHBondContact NH2-OE1 3.4Å; Q693-E697 WeakPolarHBondContact O-CB 3.44Å; Q693-E697 PolarHBondContact O-N 3.27Å; Q695-E697 VanDerWaalsContact C-N 3.32Å; Q695-E697 PolarHBondContact O-N 2.82Å; E697-R700 PolarHBondContact O-N 3.45Å; E697-R700 VanDerWaalsContact OE2-CD 3.27Å; E697-R700 WeakPolarHBondContact OE2-CD 3.36Å; E697-R700 IonicContact OE2-CZ 3.88Å; E697-R700 IonicContact OE2-NE 3.23Å; E697-R700 IonicContact OE2-NH1 2.81Å; E697-R700 PolarHBondContact OE2-NH1 3.02Å; E697-C701 VanDerWaalsContact O-CB 3.29Å; E697-C701 WeakPolarHBondContact O-CB 3.32Å; E697-C701 PolarHBondContact O-N 2.87Å |
| 698 | S | 94.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -66.1 | -43.9 | 171.7 | -58.6 | 0 | 0 | 0 | 0 | 111.5 | L694 Q695 I696 R700 C701 L702 | L694-S698 VanDerWaalsContact O-CB 3.28Å; L694-S698 WeakPolarHBondContact O-CB 3.29Å; L694-S698 PolarHBondContact O-N 2.84Å; L694-S698 PolarHBondContact O-OG 3.25Å; Q695-S698 WeakPolarHBondContact O-CB 3.44Å; Q695-S698 PolarHBondContact O-N 2.76Å; I696-S698 VanDerWaalsContact C-N 3.33Å; I696-S698 PolarHBondContact O-N 2.87Å; S698-R700 VanDerWaalsContact C-N 3.32Å; S698-R700 PolarHBondContact O-N 3.24Å; S698-C701 PolarHBondContact O-N 3.26Å; S698-L702 WeakPolarHBondContact O-CG 2.93Å; S698-L702 PolarHBondContact O-N 3.08Å |
| 699 | I | 93.2 | Very high | 87.2 | Confident | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -61.8 | -43.1 | 176.1 | -64.6 | 160.9 | 0 | 0 | 0 | 110.2 | W483 L661 Q695 I696 C701 L702 N703 L759 S762 W763 F766 | W483-I699 HydrophobicContact CH2-CG2 4.09Å; L661-I699 HydrophobicContact CD1-CG1 3.85Å; L661-I699 HydrophobicContact CD2-CD1 4.03Å; L661-I699 HydrophobicContact CD2-CG1 3.62Å; L661-I699 HydrophobicContact CG-CG1 4.41Å; Q695-I699 VanDerWaalsContact O-CG1 3.3Å; Q695-I699 WeakPolarHBondContact O-CG1 3.48Å; Q695-I699 PolarHBondContact O-N 3.02Å; I696-I699 PolarHBondContact O-N 3.2Å; I699-C701 VanDerWaalsContact C-N 3.34Å; I699-C701 PolarHBondContact O-N 3.34Å; I699-L702 PolarHBondContact O-N 3.07Å; I699-N703 WeakPolarHBondContact O-CB 3.43Å; I699-N703 PolarHBondContact O-N 3.49Å; I699-L759 HydrophobicContact CD1-CD1 3.88Å; I699-S762 WeakPolarHBondContact CG2-O 3.23Å; I699-W763 HydrophobicContact CD1-CD2 3.62Å; I699-W763 HydrophobicContact CD1-CE3 4.12Å; I699-W763 HydrophobicContact CD1-CG 4.02Å; I699-W763 HydrophobicContact CD1-CH2 4.25Å; I699-W763 HydrophobicContact CD1-CZ2 3.76Å; I699-W763 HydrophobicContact CD1-CZ3 4.4Å; I699-W763 HydrophobicContact CG1-CD2 4.34Å; I699-W763 HydrophobicContact CG1-CE3 4.35Å; I699-W763 HydrophobicContact CG1-CH2 4.2Å; I699-W763 HydrophobicContact CG1-CZ2 4.17Å; I699-W763 HydrophobicContact CG1-CZ3 4.27Å; I699-F766 HydrophobicContact CG2-CB 3.41Å; I699-F766 VanDerWaalsContact CG2-CB 3.41Å; I699-F766 HydrophobicContact CG2-CD1 4.22Å; I699-F766 HydrophobicContact CG2-CD2 4.24Å; I699-F766 HydrophobicContact CG2-CG 3.7Å |
| 700 | R | 89 | Confident | 87 | Confident | 8 Ų | 8 | 18 Ų | 18 | 3% | 0.03 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -62.7 | -41.2 | 176.1 | -69 | 165.5 | 171.3 | -167.8 | 6.4 | 112.3 | N478 E482 W483 R634 I696 E697 S698 L702 N703 S704 | N478-R700 PolarHBondContact ND2-NH1 2.85Å; E482-R700 VanDerWaalsContact OE2-CD 3.22Å; E482-R700 WeakPolarHBondContact OE2-CD 3.22Å; E482-R700 IonicContact OE2-CZ 3.69Å; E482-R700 VanDerWaalsContact OE2-CZ 3.23Å; E482-R700 IonicContact OE2-NE 3.15Å; E482-R700 PolarHBondContact OE2-NE 3.49Å; E482-R700 IonicContact OE2-NH1 2.99Å; E482-R700 PolarHBondContact OE2-NH1 3.01Å; W483-R700 HydrophobicContact CH2-CB 4.34Å; W483-R700 HydrophobicContact CH2-CG 3.31Å; W483-R700 HydrophobicContact CZ2-CG 3.18Å; W483-R700 VanDerWaalsContact CZ2-NE 3.33Å; W483-R700 HydrophobicContact CZ3-CG 4.32Å; R634-R700 VanDerWaalsContact CD-CB 3.45Å; I696-R700 VanDerWaalsContact O-CG 3.28Å; I696-R700 WeakPolarHBondContact O-CG 3.38Å; I696-R700 PolarHBondContact O-N 3.44Å; E697-R700 PolarHBondContact O-N 3.45Å; E697-R700 VanDerWaalsContact OE2-CD 3.27Å; E697-R700 WeakPolarHBondContact OE2-CD 3.36Å; E697-R700 IonicContact OE2-CZ 3.88Å; E697-R700 IonicContact OE2-NE 3.23Å; E697-R700 IonicContact OE2-NH1 2.81Å; E697-R700 PolarHBondContact OE2-NH1 3.02Å; S698-R700 VanDerWaalsContact C-N 3.32Å; S698-R700 PolarHBondContact O-N 3.24Å; R700-L702 VanDerWaalsContact C-N 3.31Å; R700-L702 PolarHBondContact O-N 3.29Å; R700-N703 PolarHBondContact O-N 3.01Å; R700-S704 PolarHBondContact O-N 2.81Å |
| 701 | C | 90.4 | Very high | 87 | Confident | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -65.8 | -35.3 | 177.3 | -164 | 0 | 0 | 0 | 0 | 112 | M630 R634 E697 S698 I699 S704 C705 | M630-C701 HydrophobicContact CG-CB 4.26Å; M630-C701 HydrophobicContact SD-CB 3.87Å; R634-C701 HydrophobicContact CB-CB 3.94Å; R634-C701 HydrophobicContact CG-CB 4.4Å; E697-C701 VanDerWaalsContact O-CB 3.29Å; E697-C701 WeakPolarHBondContact O-CB 3.32Å; E697-C701 PolarHBondContact O-N 2.87Å; S698-C701 PolarHBondContact O-N 3.26Å; I699-C701 VanDerWaalsContact C-N 3.34Å; I699-C701 PolarHBondContact O-N 3.34Å; C701-S704 PolarHBondContact O-OG 3.4Å; C701-C705 PolarHBondContact O-SG 3.33Å |
| 702 | L | 92.4 | Very high | 87 | Confident | 1 Ų | 1 | 19.7 Ų | 19.7 | 1% | 0.005 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -67.6 | -42.6 | 170.3 | -68.2 | 178.7 | 0 | 0 | 0 | 111.7 | I654 C657 L658 L661 S698 I699 R700 S704 C705 F706 L719 F766 | I654-L702 HydrophobicContact CD1-CD2 3.61Å; I654-L702 HydrophobicContact CG2-CD2 4.25Å; C657-L702 HydrophobicContact CB-CD1 3.97Å; C657-L702 HydrophobicContact CB-CD2 3.61Å; C657-L702 HydrophobicContact CB-CG 3.64Å; L658-L702 HydrophobicContact CD2-CD1 4.31Å; L661-L702 HydrophobicContact CD1-CD1 3.63Å; S698-L702 WeakPolarHBondContact O-CG 2.93Å; S698-L702 PolarHBondContact O-N 3.08Å; I699-L702 PolarHBondContact O-N 3.07Å; R700-L702 VanDerWaalsContact C-N 3.31Å; R700-L702 PolarHBondContact O-N 3.29Å; L702-S704 VanDerWaalsContact C-N 3.31Å; L702-S704 PolarHBondContact O-N 2.91Å; L702-C705 VanDerWaalsContact O-CB 3.26Å; L702-C705 WeakPolarHBondContact O-CB 3.21Å; L702-C705 PolarHBondContact O-N 3.42Å; L702-C705 VanDerWaalsContact O-N 3.13Å; L702-F706 WeakPolarHBondContact O-CD1 3.49Å; L702-F706 WeakPolarHBondContact O-CE1 3.43Å; L702-L719 HydrophobicContact CD1-CD2 4.22Å; L702-L719 HydrophobicContact CD2-CD2 4.16Å; L702-F766 HydrophobicContact CB-CD2 4.14Å; L702-F766 HydrophobicContact CB-CE2 3.43Å; L702-F766 VanDerWaalsContact CB-CE2 3.43Å; L702-F766 HydrophobicContact CB-CZ 4Å; L702-F766 HydrophobicContact CD1-CE2 4.29Å; L702-F766 HydrophobicContact CD1-CZ 3.99Å |
| 703 | N | 89.2 | Confident | 87.1 | Confident | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.6 | -40.6 | 178.6 | -162.3 | 55.5 | 0 | 0 | 0 | 112.1 | E486 I699 R700 C705 F706 V707 H765 F766 N769 | E486-N703 PolarHBondContact OE2-ND2 3.02Å; E486-N703 VanDerWaalsContact OE2-ND2 3.15Å; I699-N703 WeakPolarHBondContact O-CB 3.43Å; I699-N703 PolarHBondContact O-N 3.49Å; R700-N703 PolarHBondContact O-N 3.01Å; N703-C705 PolarHBondContact O-N 3.04Å; N703-F706 HydrophobicContact CB-CZ 4.48Å; N703-F706 PolarHBondContact O-N 3.22Å; N703-F706 VanDerWaalsContact OD1-CE2 3.3Å; N703-F706 WeakPolarHBondContact OD1-CE2 3.4Å; N703-V707 WeakPolarHBondContact O-CG2 3.24Å; N703-V707 PolarHBondContact O-N 2.85Å; N703-H765 PolarHBondContact ND2-CD2 2.75Å; N703-F766 HydrophobicContact CB-CD2 4.16Å; N703-N769 PolarHBondContact OD1-ND2 3.23Å |
| 704 | S | 86.2 | Confident | 87.2 | Confident | 2 Ų | 2 | 29.7 Ų | 29.7 | 1% | 0.014 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -12.8 | 178.7 | 64.8 | 0 | 0 | 0 | 0 | 114.3 | T637 R700 C701 L702 F706 | T637-S704 PolarHBondContact OG1-OG 3.36Å; R700-S704 PolarHBondContact O-N 2.81Å; C701-S704 PolarHBondContact O-OG 3.4Å; L702-S704 VanDerWaalsContact C-N 3.31Å; L702-S704 PolarHBondContact O-N 2.91Å; S704-F706 VanDerWaalsContact C-N 3.33Å; S704-F706 PolarHBondContact O-N 3.29Å |
| 705 | C | 86.6 | Confident | 87.1 | Confident | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.007 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -17.1 | 178.9 | -64.7 | 0 | 0 | 0 | 0 | 114 | L644 C701 L702 N703 P712 | L644-C705 HydrophobicContact CD1-CB 4.21Å; C701-C705 PolarHBondContact O-SG 3.33Å; L702-C705 VanDerWaalsContact O-CB 3.26Å; L702-C705 WeakPolarHBondContact O-CB 3.21Å; L702-C705 PolarHBondContact O-N 3.42Å; L702-C705 VanDerWaalsContact O-N 3.13Å; N703-C705 PolarHBondContact O-N 3.04Å; C705-P712 WeakPolarHBondContact O-CD 3.38Å |
| 706 | F | 83.4 | Confident | 87 | Confident | 18 Ų | 18 | 30.7 Ų | 30.7 | 8% | 0.079 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -137.1 | -8.7 | -174.2 | 47.2 | -104.9 | 0 | 0 | 0 | 115.3 | L702 N703 S704 N708 P711 L719 F766 N769 L770 C773 | L702-F706 WeakPolarHBondContact O-CD1 3.49Å; L702-F706 WeakPolarHBondContact O-CE1 3.43Å; N703-F706 HydrophobicContact CB-CZ 4.48Å; N703-F706 PolarHBondContact O-N 3.22Å; N703-F706 VanDerWaalsContact OD1-CE2 3.3Å; N703-F706 WeakPolarHBondContact OD1-CE2 3.4Å; S704-F706 VanDerWaalsContact C-N 3.33Å; S704-F706 PolarHBondContact O-N 3.29Å; F706-N708 PolarHBondContact O-N 3.38Å; F706-P711 HydrophobicContact CB-CB 3.94Å; F706-L719 HydrophobicContact CD1-CD1 4.41Å; F706-L719 HydrophobicContact CE1-CD1 4.12Å; F706-F766 HydrophobicContact CE1-CD2 4.29Å; F706-F766 AromaticContact CE1-CE2 3.7Å; F706-F766 HydrophobicContact CE1-CE2 3.7Å; F706-F766 AromaticContact CZ-CD2 3.61Å; F706-F766 HydrophobicContact CZ-CD2 3.61Å; F706-F766 AromaticContact CZ-CE2 3.47Å; F706-F766 HydrophobicContact CZ-CE2 3.47Å; F706-F766 VanDerWaalsContact CZ-CE2 3.47Å; F706-N769 HydrophobicContact CD2-CB 4.04Å; F706-N769 HydrophobicContact CE2-CB 3.45Å; F706-N769 VanDerWaalsContact CE2-CB 3.45Å; F706-N769 HydrophobicContact CZ-CB 4.47Å; F706-L770 HydrophobicContact CE1-CB 4.48Å; F706-L770 HydrophobicContact CE1-CD1 4.19Å; F706-L770 HydrophobicContact CZ-CB 4.04Å; F706-C773 HydrophobicContact CB-CB 4.08Å; F706-C773 HydrophobicContact CD2-CB 4.41Å; F706-C773 HydrophobicContact CG-CB 4.22Å |
| 707 | V | 76.3 | Confident | 87 | Confident | 22 Ų | 22 | 31.6 Ų | 31.6 | 13% | 0.133 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | 127.8 | 177.3 | 174.2 | 0 | 0 | 0 | 0 | 110.9 | E486 N703 R709 N769 | E486-V707 HydrophobicContact CG-CG1 4.28Å; N703-V707 WeakPolarHBondContact O-CG2 3.24Å; N703-V707 PolarHBondContact O-N 2.85Å; V707-R709 WeakPolarHBondContact O-CG 3.33Å; V707-R709 PolarHBondContact O-N 2.94Å; V707-R709 PolarHBondContact O-NE 3.22Å; V707-N769 HydrophobicContact CG2-CB 4.48Å |
| 708 | N | 68.2 | Low | 87 | Confident | 90 Ų | 90 | 33.1 Ų | 33.1 | 48% | 0.481 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 22.6 | 174.2 | -60.8 | -27.3 | 0 | 0 | 0 | 115.7 | Y489 F706 | Y489-N708 PolarHBondContact O-ND2 2.85Å; F706-N708 PolarHBondContact O-N 3.38Å |
| 709 | R | 78.9 | Confident | 86.9 | Confident | 56 Ų | 56 | 33.2 Ų | 33.2 | 21% | 0.211 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -156.7 | 167.9 | -178.1 | 66.1 | -169.7 | 68 | -155 | 9.7 | 112.3 | T637 Q638 D641 V707 P711 | T637-R709 PolarHBondContact O-NH1 3.39Å; Q638-R709 PolarHBondContact O-NH2 3.35Å; Q638-R709 VanDerWaalsContact O-NH2 3.13Å; D641-R709 WeakPolarHBondContact OD1-CD 3.41Å; D641-R709 IonicContact OD1-CZ 3.49Å; D641-R709 IonicContact OD1-NE 3.63Å; D641-R709 IonicContact OD1-NH1 2.82Å; D641-R709 PolarHBondContact OD1-NH1 3.13Å; V707-R709 WeakPolarHBondContact O-CG 3.33Å; V707-R709 PolarHBondContact O-N 2.94Å; V707-R709 PolarHBondContact O-NE 3.22Å; R709-P711 WeakPolarHBondContact O-CD 3.46Å |
| 710 | T | 81.5 | Confident | 86.8 | Confident | 115 Ų | 115 | 35.7 Ų | 35.7 | 71% | 0.706 | 18% | 0.181 | S | C | * | . | P | Polyproline II helix | trans | -74.2 | 120.9 | 173.7 | 52.3 | 0 | 0 | 0 | 0 | 110.7 | ||
| 711 | P | 86.7 | Confident | 86.8 | Confident | 49 Ų | 49 | 40.9 Ų | 40.9 | 32% | 0.318 | 21% | 0.209 | S | C | . | . | P | Polyproline II helix | trans | -73.8 | 144.2 | -175.1 | 31.1 | -37.8 | 0 | 0 | 0 | 112.4 | F706 R709 Y713 V716 | F706-P711 HydrophobicContact CB-CB 3.94Å; R709-P711 WeakPolarHBondContact O-CD 3.46Å; P711-Y713 PolarHBondContact O-N 3.43Å; P711-V716 HydrophobicContact CB-CG2 3.77Å; P711-V716 HydrophobicContact CG-CG2 3.75Å |
| 712 | P | 89.7 | Confident | 86.8 | Confident | 8 Ų | 8 | 42.6 Ų | 42.6 | 5% | 0.052 | 22% | 0.218 | C | C | . | . | P | Polyproline II helix | trans | -59.6 | 130.7 | 172.8 | -25.5 | 35.1 | 0 | 0 | 0 | 112.3 | L644 L645 V648 C705 K714 A715 V716 | L644-P712 HydrophobicContact CD1-CG 4.43Å; L644-P712 HydrophobicContact CD2-CG 3.91Å; L644-P712 HydrophobicContact CG-CG 3.87Å; L645-P712 HydrophobicContact CD2-CB 3.94Å; L645-P712 HydrophobicContact CD2-CG 4.08Å; V648-P712 HydrophobicContact CG1-CB 4.21Å; V648-P712 HydrophobicContact CG2-CB 4.49Å; V648-P712 HydrophobicContact CG2-CG 4.25Å; C705-P712 WeakPolarHBondContact O-CD 3.38Å; P712-K714 VanDerWaalsContact C-N 3.3Å; P712-K714 PolarHBondContact O-N 2.93Å; P712-A715 HydrophobicContact CB-CB 4.11Å; P712-A715 WeakPolarHBondContact O-CA 3.23Å; P712-A715 WeakPolarHBondContact O-CB 3.18Å; P712-A715 PolarHBondContact O-N 2.82Å; P712-V716 PolarHBondContact O-N 3.32Å; P712-V716 VanDerWaalsContact O-N 3.09Å |
| 713 | Y | 89.2 | Confident | 86.7 | Confident | 169 Ų | 169 | 43 Ų | 43 | 66% | 0.663 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -54.3 | -42.7 | -178.3 | -179.8 | -101.5 | 0 | 0 | 0 | 113.4 | P711 A715 V716 C717 | P711-Y713 PolarHBondContact O-N 3.43Å; Y713-A715 VanDerWaalsContact C-N 3.3Å; Y713-A715 PolarHBondContact O-N 3.3Å; Y713-V716 PolarHBondContact O-N 3.02Å; Y713-C717 WeakPolarHBondContact CE1-SG 3.44Å; Y713-C717 PolarHBondContact O-N 3.27Å; Y713-C717 PolarHBondContact O-SG 3.4Å |
| 714 | K | 90.5 | Very high | 86.7 | Confident | 58 Ų | 58 | 46.8 Ų | 46.8 | 25% | 0.252 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60.2 | -39.8 | 176.4 | -174.3 | -175.2 | 174.2 | -154 | 0 | 111.7 | V648 E655 P712 C717 L718 | V648-K714 HydrophobicContact CG1-CB 4.03Å; V648-K714 HydrophobicContact CG1-CD 4.17Å; V648-K714 HydrophobicContact CG1-CG 4.31Å; V648-K714 PolarHBondContact O-NZ 3.37Å; E655-K714 WeakPolarHBondContact OE1-CE 3.22Å; E655-K714 IonicContact OE1-NZ 3.73Å; E655-K714 PolarHBondContact OE1-NZ 3.11Å; E655-K714 IonicContact OE2-NZ 2.86Å; P712-K714 VanDerWaalsContact C-N 3.3Å; P712-K714 PolarHBondContact O-N 2.93Å; K714-C717 PolarHBondContact O-N 2.99Å; K714-L718 HydrophobicContact CG-CD1 4.1Å; K714-L718 HydrophobicContact CG-CG 4.5Å; K714-L718 WeakPolarHBondContact O-CB 3.22Å; K714-L718 VanDerWaalsContact O-CG 3.31Å; K714-L718 WeakPolarHBondContact O-CG 3.19Å; K714-L718 PolarHBondContact O-N 3.1Å |
| 715 | A | 91.3 | Very high | 86.8 | Confident | 2 Ų | 2 | 48.7 Ų | 48.7 | 2% | 0.017 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.4 | -45.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | V648 I654 P712 Y713 C717 L718 L719 | V648-A715 HydrophobicContact CG1-CB 4.15Å; V648-A715 HydrophobicContact CG2-CB 4.46Å; I654-A715 HydrophobicContact CD1-CB 3.82Å; I654-A715 HydrophobicContact CG1-CB 3.85Å; P712-A715 HydrophobicContact CB-CB 4.11Å; P712-A715 WeakPolarHBondContact O-CA 3.23Å; P712-A715 WeakPolarHBondContact O-CB 3.18Å; P712-A715 PolarHBondContact O-N 2.82Å; Y713-A715 VanDerWaalsContact C-N 3.3Å; Y713-A715 PolarHBondContact O-N 3.3Å; A715-C717 PolarHBondContact O-N 2.88Å; A715-L718 PolarHBondContact O-N 3.36Å; A715-L719 WeakPolarHBondContact O-CB 3.43Å; A715-L719 VanDerWaalsContact O-CG 3.28Å; A715-L719 WeakPolarHBondContact O-CG 3.48Å; A715-L719 PolarHBondContact O-N 2.94Å |
| 716 | V | 90.1 | Very high | 87.1 | Confident | 26 Ų | 26 | 48.7 Ų | 48.7 | 16% | 0.158 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -56.8 | -49.7 | 175.3 | 178.9 | 0 | 0 | 0 | 0 | 110.6 | P711 P712 Y713 L718 L719 Q720 L774 | P711-V716 HydrophobicContact CB-CG2 3.77Å; P711-V716 HydrophobicContact CG-CG2 3.75Å; P712-V716 PolarHBondContact O-N 3.32Å; P712-V716 VanDerWaalsContact O-N 3.09Å; Y713-V716 PolarHBondContact O-N 3.02Å; V716-L718 PolarHBondContact O-N 3.44Å; V716-L719 PolarHBondContact O-N 2.86Å; V716-Q720 WeakPolarHBondContact O-CB 3.46Å; V716-Q720 PolarHBondContact O-N 3.33Å; V716-L774 HydrophobicContact CG1-CD2 3.9Å |
| 717 | C | 89.5 | Confident | 87.6 | Confident | 31 Ų | 31 | 48.5 Ų | 48.5 | 21% | 0.209 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.8 | -45.5 | 179.3 | -67.2 | 0 | 0 | 0 | 0 | 112.5 | Y713 K714 A715 N721 | Y713-C717 WeakPolarHBondContact CE1-SG 3.44Å; Y713-C717 PolarHBondContact O-N 3.27Å; Y713-C717 PolarHBondContact O-SG 3.4Å; K714-C717 PolarHBondContact O-N 2.99Å; A715-C717 PolarHBondContact O-N 2.88Å; C717-N721 WeakPolarHBondContact O-CB 3.41Å; C717-N721 PolarHBondContact O-N 3.21Å; C717-N721 PolarHBondContact O-ND2 2.89Å |
| 718 | L | 90.8 | Very high | 88.2 | Confident | 38 Ų | 38 | 51.1 Ų | 51.1 | 20% | 0.199 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.2 | -40.2 | -178.9 | -73.3 | 176.2 | 0 | 0 | 0 | 112.5 | I654 E655 K714 A715 V716 N721 N722 | I654-L718 HydrophobicContact CB-CD1 3.99Å; I654-L718 HydrophobicContact CG2-CB 3.81Å; I654-L718 HydrophobicContact CG2-CD1 4.02Å; E655-L718 HydrophobicContact CG-CD1 4.09Å; K714-L718 HydrophobicContact CG-CD1 4.1Å; K714-L718 HydrophobicContact CG-CG 4.5Å; K714-L718 WeakPolarHBondContact O-CB 3.22Å; K714-L718 VanDerWaalsContact O-CG 3.31Å; K714-L718 WeakPolarHBondContact O-CG 3.19Å; K714-L718 PolarHBondContact O-N 3.1Å; A715-L718 PolarHBondContact O-N 3.36Å; V716-L718 PolarHBondContact O-N 3.44Å; L718-N721 PolarHBondContact O-N 3.41Å; L718-N722 PolarHBondContact O-N 3.43Å; L718-N722 PolarHBondContact O-ND2 3.29Å |
| 719 | L | 92.2 | Very high | 89.3 | Confident | 3 Ų | 3 | 47.6 Ų | 47.6 | 2% | 0.016 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -69.3 | -40 | 177.4 | -68.5 | 172.4 | 0 | 0 | 0 | 111.5 | I654 L658 L702 F706 A715 V716 N722 L723 I726 F766 L770 | I654-L719 HydrophobicContact CG2-CD2 4.26Å; I654-L719 HydrophobicContact CG2-CG 4.35Å; L658-L719 HydrophobicContact CD2-CD2 4.27Å; L702-L719 HydrophobicContact CD1-CD2 4.22Å; L702-L719 HydrophobicContact CD2-CD2 4.16Å; F706-L719 HydrophobicContact CD1-CD1 4.41Å; F706-L719 HydrophobicContact CE1-CD1 4.12Å; A715-L719 WeakPolarHBondContact O-CB 3.43Å; A715-L719 VanDerWaalsContact O-CG 3.28Å; A715-L719 WeakPolarHBondContact O-CG 3.48Å; A715-L719 PolarHBondContact O-N 2.94Å; V716-L719 PolarHBondContact O-N 2.86Å; L719-N722 CarbonylContact O-C 3.53Å; L719-N722 PolarHBondContact O-N 3.46Å; L719-L723 WeakPolarHBondContact O-CA 3.43Å; L719-L723 PolarHBondContact O-N 2.82Å; L719-I726 HydrophobicContact CD2-CD1 3.81Å; L719-F766 HydrophobicContact CD2-CZ 4.38Å; L719-L770 HydrophobicContact CB-CD1 4.07Å; L719-L770 HydrophobicContact CD1-CD1 3.88Å |
| 720 | Q | 90.2 | Very high | 90 | Very high | 51 Ų | 51 | 45 Ų | 45 | 24% | 0.238 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.1 | -44.1 | 174.3 | 179.8 | -179.2 | -26.7 | 0 | 0 | 111.8 | V716 N722 L723 L774 I785 | V716-Q720 WeakPolarHBondContact O-CB 3.46Å; V716-Q720 PolarHBondContact O-N 3.33Å; Q720-N722 VanDerWaalsContact C-N 3.28Å; Q720-N722 PolarHBondContact O-N 3.41Å; Q720-L723 WeakPolarHBondContact O-CB 3.48Å; Q720-L723 PolarHBondContact O-N 3.31Å; Q720-L774 HydrophobicContact CB-CD2 4.18Å; Q720-I785 HydrophobicContact CG-CD1 3.88Å |
| 721 | N | 89.5 | Confident | 90.5 | Very high | 118 Ų | 118 | 42.2 Ų | 42.2 | 63% | 0.631 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -67.3 | -27.3 | 179.4 | -71.4 | -17 | 0 | 0 | 0 | 113.5 | C717 L718 | C717-N721 WeakPolarHBondContact O-CB 3.41Å; C717-N721 PolarHBondContact O-N 3.21Å; C717-N721 PolarHBondContact O-ND2 2.89Å; L718-N721 PolarHBondContact O-N 3.41Å |
| 722 | N | 90.3 | Very high | 90.7 | Very high | 35 Ų | 35 | 41.4 Ų | 41.4 | 19% | 0.187 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | 14.2 | 179.3 | -63.3 | -78.5 | 0 | 0 | 0 | 112.7 | L658 L718 L719 Q720 S724 D725 I726 | L658-N722 HydrophobicContact CD1-CB 4.13Å; L718-N722 PolarHBondContact O-N 3.43Å; L718-N722 PolarHBondContact O-ND2 3.29Å; L719-N722 CarbonylContact O-C 3.53Å; L719-N722 PolarHBondContact O-N 3.46Å; Q720-N722 VanDerWaalsContact C-N 3.28Å; Q720-N722 PolarHBondContact O-N 3.41Å; N722-S724 VanDerWaalsContact C-N 3.26Å; N722-S724 PolarHBondContact O-N 3.45Å; N722-D725 PolarHBondContact O-N 2.99Å; N722-I726 HydrophobicContact CB-CD1 4.29Å; N722-I726 HydrophobicContact CB-CG1 4.43Å; N722-I726 VanDerWaalsContact O-CG1 3.23Å; N722-I726 WeakPolarHBondContact O-CG1 3.4Å; N722-I726 PolarHBondContact O-N 3.31Å |
| 723 | L | 91.3 | Very high | 90.8 | Very high | 11 Ų | 11 | 41.1 Ų | 41.1 | 6% | 0.058 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.8 | -37 | -173.2 | -174.9 | 64.8 | 0 | 0 | 0 | 112.7 | L719 Q720 F727 L770 L774 I789 I792 | L719-L723 WeakPolarHBondContact O-CA 3.43Å; L719-L723 PolarHBondContact O-N 2.82Å; Q720-L723 WeakPolarHBondContact O-CB 3.48Å; Q720-L723 PolarHBondContact O-N 3.31Å; L723-F727 WeakPolarHBondContact O-CB 3.45Å; L723-F727 PolarHBondContact O-N 3.29Å; L723-L770 HydrophobicContact CD1-CD2 3.94Å; L723-L774 HydrophobicContact CD1-CD1 4.21Å; L723-L774 HydrophobicContact CD2-CD1 4.24Å; L723-I789 HydrophobicContact CD2-CG1 4.36Å; L723-I792 HydrophobicContact CD1-CD1 3.72Å; L723-I792 HydrophobicContact CD2-CD1 3.91Å; L723-I792 HydrophobicContact CG-CD1 3.69Å |
| 724 | S | 88.4 | Confident | 91 | Very high | 80 Ų | 80 | 34 Ų | 34 | 56% | 0.559 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -62.3 | -45.1 | 175.4 | 54 | 0 | 0 | 0 | 0 | 112.4 | N722 F727 H728 | N722-S724 VanDerWaalsContact C-N 3.26Å; N722-S724 PolarHBondContact O-N 3.45Å; S724-F727 PolarHBondContact O-N 3.33Å; S724-H728 WeakPolarHBondContact O-CB 3.37Å; S724-H728 PolarHBondContact O-N 2.91Å |
| 725 | D | 88.8 | Confident | 91 | Very high | 41 Ų | 41 | 33.4 Ų | 33.4 | 22% | 0.219 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -72.1 | -41 | -175.3 | -62.2 | -1 | 0 | 0 | 0 | 109.9 | C662 K664 N722 H728 S729 | C662-D725 HydrophobicContact CB-CB 4.13Å; K664-D725 WeakPolarHBondContact CE-OD2 3.22Å; N722-D725 PolarHBondContact O-N 2.99Å; D725-H728 PolarHBondContact O-N 3Å; D725-S729 PolarHBondContact O-N 3.4Å; D725-S729 PolarHBondContact O-OG 2.87Å |
| 726 | I | 92.8 | Very high | 90.9 | Very high | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.01 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.1 | -51.2 | 173.4 | -69.1 | 169 | 0 | 0 | 0 | 110.4 | L658 L719 N722 H728 S729 A730 W763 F766 L767 | L658-I726 HydrophobicContact CD2-CD1 3.81Å; L658-I726 HydrophobicContact CD2-CG1 3.78Å; L719-I726 HydrophobicContact CD2-CD1 3.81Å; N722-I726 HydrophobicContact CB-CD1 4.29Å; N722-I726 HydrophobicContact CB-CG1 4.43Å; N722-I726 VanDerWaalsContact O-CG1 3.23Å; N722-I726 WeakPolarHBondContact O-CG1 3.4Å; N722-I726 PolarHBondContact O-N 3.31Å; I726-H728 VanDerWaalsContact C-N 3.33Å; I726-H728 PolarHBondContact O-N 3.22Å; I726-S729 PolarHBondContact O-N 2.95Å; I726-A730 PolarHBondContact O-N 3.49Å; I726-A730 VanDerWaalsContact O-N 3.09Å; I726-W763 HydrophobicContact CG2-CZ3 3.92Å; I726-F766 HydrophobicContact CG2-CE1 3.73Å; I726-L767 HydrophobicContact CG2-CD2 4.07Å |
| 727 | F | 92.6 | Very high | 90.9 | Very high | 13 Ų | 13 | 32 Ų | 32 | 6% | 0.057 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.1 | -38.7 | 179.9 | 179.7 | -109.7 | 0 | 0 | 0 | 111.8 | L723 S724 S729 A730 Q731 L767 M791 I792 N795 W799 | L723-F727 WeakPolarHBondContact O-CB 3.45Å; L723-F727 PolarHBondContact O-N 3.29Å; S724-F727 PolarHBondContact O-N 3.33Å; F727-S729 PolarHBondContact O-N 3.22Å; F727-A730 PolarHBondContact O-N 3.33Å; F727-Q731 WeakPolarHBondContact O-CB 3.45Å; F727-Q731 PolarHBondContact O-N 3.3Å; F727-L767 HydrophobicContact CD2-CD1 4.28Å; F727-M791 HydrophobicContact CD1-CE 4.4Å; F727-M791 HydrophobicContact CE1-CE 4.37Å; F727-I792 HydrophobicContact CB-CD1 4.23Å; F727-I792 HydrophobicContact CB-CG1 4.18Å; F727-I792 HydrophobicContact CD1-CG1 4.38Å; F727-I792 HydrophobicContact CD2-CB 4.2Å; F727-I792 HydrophobicContact CD2-CD1 4.49Å; F727-I792 HydrophobicContact CD2-CG1 3.68Å; F727-I792 HydrophobicContact CD2-CG2 3.9Å; F727-I792 HydrophobicContact CE2-CB 4.34Å; F727-I792 HydrophobicContact CE2-CG1 4.15Å; F727-I792 HydrophobicContact CE2-CG2 4.15Å; F727-I792 HydrophobicContact CG-CD1 4.4Å; F727-I792 HydrophobicContact CG-CG1 3.8Å; F727-N795 HydrophobicContact CE2-CB 4.11Å; F727-N795 HydrophobicContact CZ-CB 3.73Å; F727-N795 WeakPolarHBondContact CZ-ND2 3.41Å; F727-W799 HydrophobicContact CD2-CH2 4.45Å; F727-W799 AromaticContact CE2-CH2 3.78Å; F727-W799 HydrophobicContact CE2-CH2 3.78Å; F727-W799 AromaticContact CE2-CZ2 3.99Å; F727-W799 HydrophobicContact CE2-CZ2 3.99Å; F727-W799 HydrophobicContact CZ-CH2 4.38Å; F727-W799 HydrophobicContact CZ-CZ2 4.17Å |
| 728 | H | 90.1 | Very high | 91 | Very high | 77 Ų | 77 | 32.8 Ų | 32.8 | 36% | 0.356 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -60.7 | -44.5 | 176.6 | -173 | 66.1 | 0 | 0 | 0 | 112.1 | S724 D725 I726 A730 Q731 N732 | S724-H728 WeakPolarHBondContact O-CB 3.37Å; S724-H728 PolarHBondContact O-N 2.91Å; D725-H728 PolarHBondContact O-N 3Å; I726-H728 VanDerWaalsContact C-N 3.33Å; I726-H728 PolarHBondContact O-N 3.22Å; H728-A730 PolarHBondContact O-N 3.2Å; H728-Q731 PolarHBondContact O-N 2.65Å; H728-N732 PolarHBondContact CD2-ND2 3.36Å; H728-N732 PolarHBondContact NE2-ND2 2.92Å; H728-N732 VanDerWaalsContact NE2-ND2 3.18Å; H728-N732 PolarHBondContact O-N 3.48Å; H728-N732 PolarHBondContact O-ND2 2.9Å |
| 729 | S | 90.9 | Very high | 90.9 | Very high | 17 Ų | 17 | 32.8 Ų | 32.8 | 12% | 0.119 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.8 | -43.3 | 174.6 | -72.8 | 0 | 0 | 0 | 0 | 112.4 | L661 D725 I726 F727 N732 C733 | L661-S729 WeakPolarHBondContact O-CB 3.46Å; L661-S729 PolarHBondContact O-OG 3.34Å; D725-S729 PolarHBondContact O-N 3.4Å; D725-S729 PolarHBondContact O-OG 2.87Å; I726-S729 PolarHBondContact O-N 2.95Å; F727-S729 PolarHBondContact O-N 3.22Å; S729-N732 PolarHBondContact O-N 3.38Å; S729-C733 PolarHBondContact O-N 3.32Å |
| 730 | A | 93.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.3 | -42.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | I726 F727 H728 N732 C733 W734 W763 L767 W799 | I726-A730 PolarHBondContact O-N 3.49Å; I726-A730 VanDerWaalsContact O-N 3.09Å; F727-A730 PolarHBondContact O-N 3.33Å; H728-A730 PolarHBondContact O-N 3.2Å; A730-N732 VanDerWaalsContact C-N 3.34Å; A730-N732 PolarHBondContact O-N 3.03Å; A730-C733 WeakPolarHBondContact O-CB 3.45Å; A730-C733 PolarHBondContact O-N 3.36Å; A730-W734 PolarHBondContact O-N 3.19Å; A730-W763 HydrophobicContact CB-CB 4.18Å; A730-W763 HydrophobicContact CB-CD2 3.67Å; A730-W763 HydrophobicContact CB-CE3 3.67Å; A730-W763 HydrophobicContact CB-CG 3.93Å; A730-W763 HydrophobicContact CB-CZ3 4.28Å; A730-L767 HydrophobicContact CB-CD1 3.75Å; A730-W799 HydrophobicContact CB-CH2 4.26Å; A730-W799 HydrophobicContact CB-CZ3 4.43Å |
| 731 | Q | 92.2 | Very high | 90.5 | Very high | 58 Ų | 58 | 33 Ų | 33 | 27% | 0.271 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -63.7 | -38.8 | 178.3 | -172.6 | 178 | 14 | 0 | 0 | 111.9 | F727 H728 C733 W734 I735 W799 | F727-Q731 WeakPolarHBondContact O-CB 3.45Å; F727-Q731 PolarHBondContact O-N 3.3Å; H728-Q731 PolarHBondContact O-N 2.65Å; Q731-C733 VanDerWaalsContact C-N 3.34Å; Q731-W734 WeakPolarHBondContact O-CB 3.38Å; Q731-W734 PolarHBondContact O-N 3.21Å; Q731-I735 HydrophobicContact CG-CD1 4.04Å; Q731-I735 VanDerWaalsContact O-CG1 3.27Å; Q731-I735 WeakPolarHBondContact O-CG1 3.47Å; Q731-I735 PolarHBondContact O-N 3.37Å; Q731-W799 HydrophobicContact CB-CH2 4.39Å; Q731-W799 HydrophobicContact CB-CZ2 4.21Å; Q731-W799 HydrophobicContact CG-CZ2 4.3Å |
| 732 | N | 90.3 | Very high | 90.3 | Very high | 32 Ų | 32 | 29.5 Ų | 29.5 | 17% | 0.171 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.4 | -40.6 | 174.1 | -71.2 | -29.3 | 0 | 0 | 0 | 111.6 | L673 L678 H728 S729 A730 I735 L736 | L673-N732 HydrophobicContact CD2-CB 4.05Å; L673-N732 WeakPolarHBondContact CD2-O 3.31Å; L678-N732 HydrophobicContact CD2-CB 3.91Å; H728-N732 PolarHBondContact CD2-ND2 3.36Å; H728-N732 PolarHBondContact NE2-ND2 2.92Å; H728-N732 VanDerWaalsContact NE2-ND2 3.18Å; H728-N732 PolarHBondContact O-N 3.48Å; H728-N732 PolarHBondContact O-ND2 2.9Å; S729-N732 PolarHBondContact O-N 3.38Å; A730-N732 VanDerWaalsContact C-N 3.34Å; A730-N732 PolarHBondContact O-N 3.03Å; N732-I735 PolarHBondContact O-N 2.94Å; N732-L736 PolarHBondContact O-N 2.84Å; N732-L736 VanDerWaalsContact O-N 3.09Å |
| 733 | C | 92.2 | Very high | 89.9 | Confident | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.007 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.7 | -45.1 | 173.5 | -178.7 | 0 | 0 | 0 | 0 | 111.6 | S729 A730 Q731 L736 Y737 | S729-C733 PolarHBondContact O-N 3.32Å; A730-C733 WeakPolarHBondContact O-CB 3.45Å; A730-C733 PolarHBondContact O-N 3.36Å; Q731-C733 VanDerWaalsContact C-N 3.34Å; C733-L736 PolarHBondContact O-N 3.29Å; C733-Y737 WeakPolarHBondContact O-CB 3.46Å; C733-Y737 PolarHBondContact O-N 2.9Å |
| 734 | W | 94.1 | Very high | 88.4 | Confident | 20 Ų | 20 | 39.3 Ų | 39.3 | 8% | 0.076 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59 | -50.6 | 175.1 | 168.3 | -107.8 | 0 | 0 | 0 | 112.7 | A730 Q731 L736 Y737 H738 I742 L760 W799 E802 L803 | A730-W734 PolarHBondContact O-N 3.19Å; Q731-W734 WeakPolarHBondContact O-CB 3.38Å; Q731-W734 PolarHBondContact O-N 3.21Å; W734-L736 VanDerWaalsContact C-N 3.26Å; W734-L736 PolarHBondContact O-N 2.72Å; W734-Y737 HydrophobicContact CZ3-CD1 4.35Å; W734-Y737 PolarHBondContact O-N 3.2Å; W734-H738 HydrophobicContact CZ2-CB 4.34Å; W734-H738 AromaticContact CZ2-CD2 3.72Å; W734-H738 VanDerWaalsContact O-CB 3.25Å; W734-H738 WeakPolarHBondContact O-CB 3.35Å; W734-H738 PolarHBondContact O-N 2.83Å; W734-I742 HydrophobicContact CH2-CD1 3.8Å; W734-I742 HydrophobicContact CZ3-CD1 4.18Å; W734-L760 HydrophobicContact CB-CD1 4.39Å; W734-L760 HydrophobicContact CE3-CD1 4.13Å; W734-L760 HydrophobicContact CE3-CD2 3.91Å; W734-L760 HydrophobicContact CZ3-CD2 4.16Å; W734-W799 HydrophobicContact CB-CD2 4.12Å; W734-W799 HydrophobicContact CB-CE3 4.34Å; W734-W799 HydrophobicContact CB-CH2 4.27Å; W734-W799 HydrophobicContact CB-CZ2 4.04Å; W734-W799 HydrophobicContact CB-CZ3 4.41Å; W734-W799 AromaticContact CD1-CD1 3.64Å; W734-W799 AromaticContact CD1-CE2 3.69Å; W734-W799 AromaticContact CD1-NE1 3.29Å; W734-W799 VanDerWaalsContact CD1-NE1 3.29Å; W734-W799 HydrophobicContact CD2-CB 4.06Å; W734-W799 AromaticContact CD2-CD1 3.63Å; W734-W799 AromaticContact CD2-CD2 3.95Å; W734-W799 HydrophobicContact CD2-CD2 3.95Å; W734-W799 AromaticContact CD2-CG 3.61Å; W734-W799 HydrophobicContact CD2-CG 3.61Å; W734-W799 AromaticContact CD2-NE1 4Å; W734-W799 AromaticContact CE2-CD1 3.31Å; W734-W799 AromaticContact CE2-CG 3.71Å; W734-W799 AromaticContact CE2-NE1 3.85Å; W734-W799 HydrophobicContact CE3-CB 3.94Å; W734-W799 HydrophobicContact CE3-CD2 4.38Å; W734-W799 AromaticContact CE3-CG 3.98Å; W734-W799 HydrophobicContact CE3-CG 3.98Å; W734-W799 AromaticContact CG-CD1 3.81Å; W734-W799 AromaticContact CG-CD2 3.82Å; W734-W799 HydrophobicContact CG-CD2 3.82Å; W734-W799 AromaticContact CG-CE2 3.64Å; W734-W799 HydrophobicContact CG-CE3 4.48Å; W734-W799 AromaticContact CG-CG 3.95Å; W734-W799 HydrophobicContact CG-CG 3.95Å; W734-W799 HydrophobicContact CG-CZ2 4.18Å; W734-W799 AromaticContact CG-NE1 3.64Å; W734-W799 HydrophobicContact CH2-CB 3.97Å; W734-W799 HydrophobicContact CH2-CG 4.43Å; W734-W799 HydrophobicContact CZ2-CB 4.08Å; W734-W799 AromaticContact CZ2-CD1 3.79Å; W734-W799 HydrophobicContact CZ2-CG 4.1Å; W734-W799 HydrophobicContact CZ3-CB 3.91Å; W734-W799 HydrophobicContact CZ3-CG 4.38Å; W734-W799 AromaticContact NE1-CD1 3.32Å; W734-W799 VanDerWaalsContact NE1-CD1 3.32Å; W734-W799 AromaticContact NE1-NE1 3.41Å; W734-E802 HydrophobicContact CH2-CB 3.97Å; W734-E802 HydrophobicContact CZ2-CB 4.22Å; W734-E802 VanDerWaalsContact CZ2-OE2 3.27Å; W734-E802 WeakPolarHBondContact CZ2-OE2 3.46Å; W734-L803 HydrophobicContact CH2-CG 4.14Å; W734-L803 HydrophobicContact CZ3-CD1 3.91Å; W734-L803 HydrophobicContact CZ3-CD2 4.08Å; W734-L803 HydrophobicContact CZ3-CG 3.76Å |
| 735 | I | 90.3 | Very high | 86.8 | Confident | 45 Ų | 45 | 44.1 Ų | 44.1 | 23% | 0.231 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.2 | -43.2 | -179.6 | -69.5 | 164.3 | 0 | 0 | 0 | 110.4 | Q731 N732 S739 | Q731-I735 HydrophobicContact CG-CD1 4.04Å; Q731-I735 VanDerWaalsContact O-CG1 3.27Å; Q731-I735 WeakPolarHBondContact O-CG1 3.47Å; Q731-I735 PolarHBondContact O-N 3.37Å; N732-I735 PolarHBondContact O-N 2.94Å; I735-S739 WeakPolarHBondContact O-CB 3.32Å; I735-S739 PolarHBondContact O-N 3.45Å; I735-S739 PolarHBondContact O-OG 2.86Å |
| 736 | L | 88.7 | Confident | 85 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.1 | -49.9 | 178.1 | -173.7 | 62.1 | 0 | 0 | 0 | 111.7 | L673 T675 L678 N732 C733 W734 H738 S739 K740 L756 | L673-L736 HydrophobicContact CD2-CB 3.92Å; L673-L736 HydrophobicContact CG-CB 4.47Å; L673-L736 VanDerWaalsContact O-CD1 3.22Å; L673-L736 WeakPolarHBondContact O-CD1 3.44Å; T675-L736 HydrophobicContact CG2-CD2 4.02Å; L678-L736 HydrophobicContact CD1-CD2 3.52Å; L678-L736 HydrophobicContact CG-CD2 3.96Å; N732-L736 PolarHBondContact O-N 2.84Å; N732-L736 VanDerWaalsContact O-N 3.09Å; C733-L736 PolarHBondContact O-N 3.29Å; W734-L736 VanDerWaalsContact C-N 3.26Å; W734-L736 PolarHBondContact O-N 2.72Å; L736-H738 VanDerWaalsContact C-N 3.32Å; L736-H738 PolarHBondContact O-N 3.02Å; L736-S739 PolarHBondContact O-N 3.32Å; L736-S739 VanDerWaalsContact O-N 3.16Å; L736-S739 PolarHBondContact O-OG 2.88Å; L736-K740 HydrophobicContact CD1-CG 4.31Å; L736-K740 WeakPolarHBondContact O-CG 3.16Å; L736-K740 PolarHBondContact O-N 3.47Å; L736-K740 VanDerWaalsContact O-N 3.08Å; L736-L756 HydrophobicContact CD2-CD1 3.95Å; L736-L756 HydrophobicContact CD2-CD2 3.68Å; L736-L756 HydrophobicContact CD2-CG 4.46Å; L736-L756 HydrophobicContact CG-CD1 3.89Å; L736-L756 HydrophobicContact CG-CD2 4.29Å |
| 737 | Y | 91.7 | Very high | 83.3 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -56.3 | -48.7 | 178.1 | 178.5 | -85 | 0 | 0 | 0 | 111.2 | C733 W734 S739 K740 F741 I742 L756 L760 L803 G831 L836 | C733-Y737 WeakPolarHBondContact O-CB 3.46Å; C733-Y737 PolarHBondContact O-N 2.9Å; W734-Y737 HydrophobicContact CZ3-CD1 4.35Å; W734-Y737 PolarHBondContact O-N 3.2Å; Y737-S739 VanDerWaalsContact C-N 3.31Å; Y737-S739 PolarHBondContact O-N 3.22Å; Y737-K740 PolarHBondContact O-N 3.42Å; Y737-K740 VanDerWaalsContact O-N 3.15Å; Y737-F741 AromaticContact CD2-CD2 3.54Å; Y737-F741 HydrophobicContact CD2-CD2 3.54Å; Y737-F741 AromaticContact CD2-CE2 3.99Å; Y737-F741 HydrophobicContact CD2-CE2 3.99Å; Y737-F741 HydrophobicContact CE1-CB 4.26Å; Y737-F741 HydrophobicContact CE2-CB 4.47Å; Y737-F741 AromaticContact CE2-CD2 3.51Å; Y737-F741 HydrophobicContact CE2-CD2 3.51Å; Y737-F741 HydrophobicContact CE2-CE2 4.04Å; Y737-F741 HydrophobicContact CE2-CG 4.22Å; Y737-F741 HydrophobicContact CG-CD2 4.1Å; Y737-F741 PolarHBondContact O-N 2.77Å; Y737-I742 HydrophobicContact CD1-CD1 4.21Å; Y737-I742 HydrophobicContact CE1-CD1 4Å; Y737-I742 HydrophobicContact CE1-CG1 4.16Å; Y737-L756 HydrophobicContact CD2-CB 4.09Å; Y737-L760 HydrophobicContact CD1-CD2 3.5Å; Y737-L760 VanDerWaalsContact CD1-CD2 3.5Å; Y737-L760 HydrophobicContact CD2-CD2 3.82Å; Y737-L760 HydrophobicContact CE1-CD2 3.93Å; Y737-L760 HydrophobicContact CE2-CD2 4.2Å; Y737-L760 HydrophobicContact CG-CD2 3.46Å; Y737-L760 VanDerWaalsContact CG-CD2 3.46Å; Y737-L803 HydrophobicContact CD1-CD2 4.31Å; Y737-L803 HydrophobicContact CE1-CD2 3.46Å; Y737-L803 VanDerWaalsContact CE1-CD2 3.46Å; Y737-G831 WeakPolarHBondContact CE2-O 3.38Å; Y737-G831 PolarHBondContact OH-O 3.29Å; Y737-L836 HydrophobicContact CE2-CD2 4.49Å |
| 738 | H | 91.2 | Very high | 82 | Confident | 47 Ų | 47 | 59.5 Ų | 59.5 | 22% | 0.218 | 30% | 0.298 | C | S | . | . | I | π-helix | trans | -59.9 | -42.6 | 178.2 | -176.9 | -79.6 | 0 | 0 | 0 | 111.1 | W734 L736 K740 I742 T743 E802 | W734-H738 HydrophobicContact CZ2-CB 4.34Å; W734-H738 AromaticContact CZ2-CD2 3.72Å; W734-H738 VanDerWaalsContact O-CB 3.25Å; W734-H738 WeakPolarHBondContact O-CB 3.35Å; W734-H738 PolarHBondContact O-N 2.83Å; L736-H738 VanDerWaalsContact C-N 3.32Å; L736-H738 PolarHBondContact O-N 3.02Å; H738-K740 VanDerWaalsContact C-N 3.26Å; H738-K740 PolarHBondContact O-N 2.89Å; H738-I742 HydrophobicContact CB-CD1 4.31Å; H738-I742 WeakPolarHBondContact O-CA 3.48Å; H738-I742 WeakPolarHBondContact O-CB 3.39Å; H738-I742 PolarHBondContact O-N 3.25Å; H738-I742 VanDerWaalsContact O-N 3.11Å; H738-T743 WeakPolarHBondContact CE1-CG2 3.36Å; H738-T743 PolarHBondContact O-N 3.37Å; H738-T743 PolarHBondContact O-OG1 2.94Å; H738-E802 IonicContact CD2-OE2 3.39Å; H738-E802 PolarHBondContact CD2-OE2 3.29Å; H738-E802 IonicContact NE2-OE2 3.26Å; H738-E802 PolarHBondContact NE2-OE2 2.82Å |
| 739 | S | 87.2 | Confident | 81.2 | Confident | 38 Ų | 38 | 58.8 Ų | 58.8 | 27% | 0.266 | 30% | 0.296 | S | S | . | . | I | π-helix | trans | -63.6 | -29.9 | 178.1 | 77.7 | 0 | 0 | 0 | 0 | 114.1 | I735 L736 Y737 T743 | I735-S739 WeakPolarHBondContact O-CB 3.32Å; I735-S739 PolarHBondContact O-N 3.45Å; I735-S739 PolarHBondContact O-OG 2.86Å; L736-S739 PolarHBondContact O-N 3.32Å; L736-S739 VanDerWaalsContact O-N 3.16Å; L736-S739 PolarHBondContact O-OG 2.88Å; Y737-S739 VanDerWaalsContact C-N 3.31Å; Y737-S739 PolarHBondContact O-N 3.22Å; S739-T743 VanDerWaalsContact C-OG1 3.31Å; S739-T743 WeakPolarHBondContact CA-OG1 3.37Å; S739-T743 PolarHBondContact O-OG1 3.2Å |
| 740 | K | 86.9 | Confident | 80.3 | Confident | 41 Ų | 41 | 62.2 Ų | 62.2 | 18% | 0.178 | 31% | 0.312 | C | S | . | . | I | π-helix | trans | -92.6 | -43.1 | -173.5 | -73 | -72.5 | -168.9 | 150.7 | 0 | 113.5 | L736 Y737 H738 D753 L756 | L736-K740 HydrophobicContact CD1-CG 4.31Å; L736-K740 WeakPolarHBondContact O-CG 3.16Å; L736-K740 PolarHBondContact O-N 3.47Å; L736-K740 VanDerWaalsContact O-N 3.08Å; Y737-K740 PolarHBondContact O-N 3.42Å; Y737-K740 VanDerWaalsContact O-N 3.15Å; H738-K740 VanDerWaalsContact C-N 3.26Å; H738-K740 PolarHBondContact O-N 2.89Å; K740-D753 WeakPolarHBondContact CE-OD1 3.38Å; K740-D753 IonicContact NZ-OD1 3.93Å; K740-D753 PolarHBondContact NZ-OD1 3.01Å; K740-D753 VanDerWaalsContact NZ-OD1 3.16Å; K740-D753 IonicContact NZ-OD2 2.82Å; K740-D753 PolarHBondContact NZ-OD2 3.43Å; K740-L756 HydrophobicContact CG-CD1 4.37Å |
| 741 | F | 87.7 | Confident | 79.4 | Confident | 18 Ų | 18 | 67.4 Ų | 67.4 | 8% | 0.079 | 34% | 0.336 | C | S | . | . | I | π-helix | trans | -109.2 | -26.2 | -171 | -64.4 | -70 | 0 | 0 | 0 | 113.9 | Y737 L749 D753 L756 H806 G831 | Y737-F741 AromaticContact CD2-CD2 3.54Å; Y737-F741 HydrophobicContact CD2-CD2 3.54Å; Y737-F741 AromaticContact CD2-CE2 3.99Å; Y737-F741 HydrophobicContact CD2-CE2 3.99Å; Y737-F741 HydrophobicContact CE1-CB 4.26Å; Y737-F741 HydrophobicContact CE2-CB 4.47Å; Y737-F741 AromaticContact CE2-CD2 3.51Å; Y737-F741 HydrophobicContact CE2-CD2 3.51Å; Y737-F741 HydrophobicContact CE2-CE2 4.04Å; Y737-F741 HydrophobicContact CE2-CG 4.22Å; Y737-F741 HydrophobicContact CG-CD2 4.1Å; Y737-F741 PolarHBondContact O-N 2.77Å; F741-L749 HydrophobicContact CD1-CD2 4.34Å; F741-L749 HydrophobicContact CE1-CD1 4.09Å; F741-L749 HydrophobicContact CE1-CD2 3.75Å; F741-L749 HydrophobicContact CZ-CD2 4.11Å; F741-D753 HydrophobicContact CZ-CB 4.38Å; F741-L756 HydrophobicContact CE2-CB 4.25Å; F741-L756 HydrophobicContact CE2-CD1 4.25Å; F741-H806 PolarHBondContact O-CE1 3.46Å; F741-G831 VanDerWaalsContact CE1-CA 3.4Å |
| 742 | I | 86.3 | Confident | 78.7 | Confident | 43 Ų | 43 | 67 Ų | 67 | 22% | 0.221 | 33% | 0.334 | C | S | . | . | I | π-helix | trans | -100.2 | -50.4 | -175.1 | -58.5 | 176.7 | 0 | 0 | 0 | 111.1 | W734 Y737 H738 L803 | W734-I742 HydrophobicContact CH2-CD1 3.8Å; W734-I742 HydrophobicContact CZ3-CD1 4.18Å; Y737-I742 HydrophobicContact CD1-CD1 4.21Å; Y737-I742 HydrophobicContact CE1-CD1 4Å; Y737-I742 HydrophobicContact CE1-CG1 4.16Å; H738-I742 HydrophobicContact CB-CD1 4.31Å; H738-I742 WeakPolarHBondContact O-CA 3.48Å; H738-I742 WeakPolarHBondContact O-CB 3.39Å; H738-I742 PolarHBondContact O-N 3.25Å; H738-I742 VanDerWaalsContact O-N 3.11Å; I742-L803 HydrophobicContact CD1-CD2 4.23Å |
| 743 | T | 81.6 | Confident | 78.3 | Confident | 52 Ų | 52 | 65.5 Ų | 65.5 | 32% | 0.319 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -77.7 | 133.6 | 176.4 | 54.9 | 0 | 0 | 0 | 0 | 111.5 | H738 S739 R745 | H738-T743 WeakPolarHBondContact CE1-CG2 3.36Å; H738-T743 PolarHBondContact O-N 3.37Å; H738-T743 PolarHBondContact O-OG1 2.94Å; S739-T743 VanDerWaalsContact C-OG1 3.31Å; S739-T743 WeakPolarHBondContact CA-OG1 3.37Å; S739-T743 PolarHBondContact O-OG1 3.2Å; T743-R745 PolarHBondContact O-N 3.34Å |
| 744 | E | 59.2 | Low | 77.9 | Confident | 200 Ų | 200 | 67 Ų | 67 | 94% | 0.935 | 33% | 0.332 | S | S | * | . | trans | -70.4 | 51.3 | -179.8 | -64.8 | -178.9 | 164.4 | 0 | 0 | 114.2 | ||||
| 745 | R | 55.1 | Low | 77.5 | Confident | 181 Ų | 181 | 66.3 Ų | 66.3 | 68% | 0.683 | 33% | 0.33 | S | S | * | . | trans | -90.3 | 109.9 | 163.9 | -70.1 | -172.5 | -173.8 | -179.5 | 4.4 | 107.6 | T743 T747 | T743-R745 PolarHBondContact O-N 3.34Å; R745-T747 PolarHBondContact O-N 3.22Å | ||
| 746 | Q | 51 | Low | 77.4 | Confident | 204 Ų | 204 | 64.2 Ų | 64.2 | 95% | 0.953 | 32% | 0.319 | S | S | * | . | trans | -67.3 | 66.7 | 172.1 | -73 | -179.7 | -20.8 | 0 | 0 | 110.8 | ||||
| 747 | T | 57.9 | Low | 77.5 | Confident | 71 Ų | 71 | 64.5 Ų | 64.5 | 44% | 0.436 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -85.6 | 129.8 | 159.2 | 57.3 | 0 | 0 | 0 | 0 | 107.4 | R745 L749 | R745-T747 PolarHBondContact O-N 3.22Å; T747-L749 PolarHBondContact O-N 3.27Å; T747-L749 VanDerWaalsContact O-N 3.11Å |
| 748 | S | 65.2 | Low | 77.3 | Confident | 105 Ų | 105 | 64.7 Ų | 64.7 | 73% | 0.734 | 32% | 0.322 | S | S | * | . | P | Polyproline II helix | trans | -53.4 | 118.8 | 170.5 | 52 | 0 | 0 | 0 | 0 | 109.3 | ||
| 749 | L | 71.7 | Confident | 77.3 | Confident | 61 Ų | 61 | 62.4 Ų | 62.4 | 32% | 0.319 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 134.3 | 176.6 | -71.1 | 166.4 | 0 | 0 | 0 | 109.4 | F741 T747 D753 | F741-L749 HydrophobicContact CD1-CD2 4.34Å; F741-L749 HydrophobicContact CE1-CD1 4.09Å; F741-L749 HydrophobicContact CE1-CD2 3.75Å; F741-L749 HydrophobicContact CZ-CD2 4.11Å; T747-L749 PolarHBondContact O-N 3.27Å; T747-L749 VanDerWaalsContact O-N 3.11Å; L749-D753 HydrophobicContact CD2-CB 4.05Å |
| 750 | I | 73.4 | Confident | 77.5 | Confident | 89 Ų | 89 | 60.6 Ų | 60.6 | 46% | 0.456 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -96 | 154.2 | 173.9 | -53.5 | 172.9 | 0 | 0 | 0 | 107.7 | E752 D753 | I750-E752 HydrophobicContact CG2-CB 4.41Å; I750-E752 HydrophobicContact CG2-CG 4.33Å; I750-E752 PolarHBondContact O-N 2.92Å; I750-E752 VanDerWaalsContact O-N 3.08Å; I750-D753 PolarHBondContact N-OD2 3.38Å; I750-D753 WeakPolarHBondContact O-CB 3.3Å; I750-D753 PolarHBondContact O-N 2.85Å |
| 751 | E | 73.3 | Confident | 77.7 | Confident | 110 Ų | 110 | 58.7 Ų | 58.7 | 51% | 0.514 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -54.3 | -30.3 | 177.7 | -171 | 163.1 | -149.7 | 0 | 0 | 113.2 | D753 Y754 | E751-D753 VanDerWaalsContact C-N 3.35Å; E751-D753 PolarHBondContact O-N 3.3Å; E751-Y754 WeakPolarHBondContact O-CD2 3.47Å; E751-Y754 PolarHBondContact O-N 3.37Å |
| 752 | E | 77.1 | Confident | 77.8 | Confident | 49 Ų | 49 | 57.8 Ų | 57.8 | 23% | 0.229 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -66.4 | -31.7 | 175.5 | -60.8 | 175.1 | -178.8 | 0 | 0 | 113.6 | I688 I750 Y754 F755 | I688-E752 WeakPolarHBondContact CD1-OE1 3.12Å; I688-E752 WeakPolarHBondContact CD1-OE2 3.45Å; I688-E752 HydrophobicContact CG2-CB 4.36Å; I688-E752 HydrophobicContact CG2-CG 4.14Å; I750-E752 HydrophobicContact CG2-CB 4.41Å; I750-E752 HydrophobicContact CG2-CG 4.33Å; I750-E752 PolarHBondContact O-N 2.92Å; I750-E752 VanDerWaalsContact O-N 3.08Å; E752-Y754 PolarHBondContact O-N 3.05Å; E752-F755 PolarHBondContact O-N 2.86Å; E752-F755 VanDerWaalsContact O-N 3.15Å |
| 753 | D | 82.4 | Confident | 78.2 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -63.7 | -28.1 | -177.6 | -71.6 | -39.5 | 0 | 0 | 0 | 111 | T675 K740 F741 L749 I750 E751 F755 L756 | T675-D753 WeakPolarHBondContact CG2-OD1 3.45Å; K740-D753 WeakPolarHBondContact CE-OD1 3.38Å; K740-D753 IonicContact NZ-OD1 3.93Å; K740-D753 PolarHBondContact NZ-OD1 3.01Å; K740-D753 VanDerWaalsContact NZ-OD1 3.16Å; K740-D753 IonicContact NZ-OD2 2.82Å; K740-D753 PolarHBondContact NZ-OD2 3.43Å; F741-D753 HydrophobicContact CZ-CB 4.38Å; L749-D753 HydrophobicContact CD2-CB 4.05Å; I750-D753 PolarHBondContact N-OD2 3.38Å; I750-D753 WeakPolarHBondContact O-CB 3.3Å; I750-D753 PolarHBondContact O-N 2.85Å; E751-D753 VanDerWaalsContact C-N 3.35Å; E751-D753 PolarHBondContact O-N 3.3Å; D753-F755 PolarHBondContact O-N 3.43Å; D753-L756 VanDerWaalsContact O-CB 3.27Å; D753-L756 WeakPolarHBondContact O-CB 3.47Å; D753-L756 VanDerWaalsContact O-CG 3.31Å; D753-L756 WeakPolarHBondContact O-CG 3.41Å; D753-L756 PolarHBondContact O-N 2.83Å; D753-L756 VanDerWaalsContact O-N 3.11Å |
| 754 | Y | 83.4 | Confident | 78.8 | Confident | 33 Ų | 33 | 53.5 Ų | 53.5 | 13% | 0.129 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -67.7 | -17.9 | 178.7 | -63.7 | -80.5 | 0 | 0 | 0 | 113.8 | E751 E752 L756 P758 T828 | E751-Y754 WeakPolarHBondContact O-CD2 3.47Å; E751-Y754 PolarHBondContact O-N 3.37Å; E752-Y754 PolarHBondContact O-N 3.05Å; Y754-L756 PolarHBondContact O-N 2.82Å; Y754-P758 WeakPolarHBondContact O-CD 3.43Å; Y754-T828 WeakPolarHBondContact CD1-O 3.11Å; Y754-T828 WeakPolarHBondContact CE1-O 3.48Å |
| 755 | F | 85.5 | Confident | 80.3 | Confident | 6 Ų | 6 | 44.7 Ų | 44.7 | 3% | 0.026 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -76 | -11.8 | 173.8 | -71.3 | -89.4 | 0 | 0 | 0 | 113.1 | C689 I692 Q693 E752 D753 T757 P758 L759 F1005 P1007 | C689-F755 HydrophobicContact CB-CE1 4.45Å; C689-F755 HydrophobicContact CB-CE2 3.96Å; C689-F755 HydrophobicContact CB-CZ 3.84Å; C689-F755 VanDerWaalsContact SG-CE2 3.57Å; I692-F755 HydrophobicContact CB-CB 4.31Å; I692-F755 HydrophobicContact CD1-CB 3.85Å; I692-F755 HydrophobicContact CG2-CB 3.79Å; Q693-F755 HydrophobicContact CG-CE1 4.38Å; E752-F755 PolarHBondContact O-N 2.86Å; E752-F755 VanDerWaalsContact O-N 3.15Å; D753-F755 PolarHBondContact O-N 3.43Å; F755-T757 VanDerWaalsContact C-N 3.3Å; F755-T757 PolarHBondContact O-N 3.37Å; F755-P758 VanDerWaalsContact O-CD 3.29Å; F755-P758 WeakPolarHBondContact O-CD 3.43Å; F755-P758 WeakPolarHBondContact O-CG 3.19Å; F755-L759 WeakPolarHBondContact O-CB 3.48Å; F755-L759 PolarHBondContact O-N 3.38Å; F755-F1005 HydrophobicContact CE1-CD1 4.23Å; F755-F1005 VanDerWaalsContact CE1-O 3.27Å; F755-F1005 WeakPolarHBondContact CE1-O 3.18Å; F755-F1005 WeakPolarHBondContact CZ-O 3.44Å; F755-P1007 HydrophobicContact CD2-CG 4.23Å; F755-P1007 HydrophobicContact CE1-CG 4.46Å; F755-P1007 HydrophobicContact CE2-CG 4.09Å; F755-P1007 HydrophobicContact CG-CG 4.49Å; F755-P1007 HydrophobicContact CZ-CG 4.22Å |
| 756 | L | 89.6 | Confident | 82.1 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.2 | -33.7 | 176.4 | -65.3 | 172.1 | 0 | 0 | 0 | 112.2 | T675 L678 L736 Y737 K740 F741 D753 Y754 L759 L760 | T675-L756 HydrophobicContact CG2-CD1 4.16Å; T675-L756 HydrophobicContact CG2-CD2 4.42Å; T675-L756 HydrophobicContact CG2-CG 4.37Å; L678-L756 HydrophobicContact CD1-CD2 3.76Å; L736-L756 HydrophobicContact CD2-CD1 3.95Å; L736-L756 HydrophobicContact CD2-CD2 3.68Å; L736-L756 HydrophobicContact CD2-CG 4.46Å; L736-L756 HydrophobicContact CG-CD1 3.89Å; L736-L756 HydrophobicContact CG-CD2 4.29Å; Y737-L756 HydrophobicContact CD2-CB 4.09Å; K740-L756 HydrophobicContact CG-CD1 4.37Å; F741-L756 HydrophobicContact CE2-CB 4.25Å; F741-L756 HydrophobicContact CE2-CD1 4.25Å; D753-L756 VanDerWaalsContact O-CB 3.27Å; D753-L756 WeakPolarHBondContact O-CB 3.47Å; D753-L756 VanDerWaalsContact O-CG 3.31Å; D753-L756 WeakPolarHBondContact O-CG 3.41Å; D753-L756 PolarHBondContact O-N 2.83Å; D753-L756 VanDerWaalsContact O-N 3.11Å; Y754-L756 PolarHBondContact O-N 2.82Å; L756-L759 PolarHBondContact O-N 3.12Å; L756-L760 VanDerWaalsContact O-CB 3.29Å; L756-L760 WeakPolarHBondContact O-CB 3.46Å; L756-L760 PolarHBondContact O-N 2.87Å |
| 757 | T | 89.3 | Confident | 84.1 | Confident | 7 Ų | 7 | 26.3 Ų | 26.3 | 4% | 0.043 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60 | -57.2 | 178.8 | -55.4 | 0 | 0 | 0 | 0 | 112.5 | F755 L759 L760 T761 G831 N833 L836 | F755-T757 VanDerWaalsContact C-N 3.3Å; F755-T757 PolarHBondContact O-N 3.37Å; T757-L759 VanDerWaalsContact C-N 3.31Å; T757-L759 PolarHBondContact O-N 3.35Å; T757-L760 PolarHBondContact O-N 2.8Å; T757-T761 WeakPolarHBondContact O-CB 3.45Å; T757-T761 PolarHBondContact O-N 3.34Å; T757-T761 PolarHBondContact O-OG1 2.68Å; T757-G831 WeakPolarHBondContact CG2-O 3.14Å; T757-G831 VanDerWaalsContact OG1-C 3.31Å; T757-G831 PolarHBondContact OG1-O 3.42Å; T757-N833 HydrophobicContact CG2-CB 4.24Å; T757-L836 HydrophobicContact CG2-CB 4.12Å; T757-L836 HydrophobicContact CG2-CD2 3.83Å |
| 758 | P | 87.5 | Confident | 85.7 | Confident | 3 Ų | 3 | 23.1 Ų | 23.1 | 2% | 0.019 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -65.3 | -32.9 | 176.7 | 25.7 | -34.5 | 0 | 0 | 0 | 112.4 | I696 Y754 F755 T761 S762 M1010 | I696-P758 HydrophobicContact CD1-CB 4.06Å; I696-P758 HydrophobicContact CD1-CG 4.03Å; Y754-P758 WeakPolarHBondContact O-CD 3.43Å; F755-P758 VanDerWaalsContact O-CD 3.29Å; F755-P758 WeakPolarHBondContact O-CD 3.43Å; F755-P758 WeakPolarHBondContact O-CG 3.19Å; P758-T761 WeakPolarHBondContact O-CB 3.42Å; P758-T761 PolarHBondContact O-N 3.21Å; P758-S762 WeakPolarHBondContact O-CB 3.35Å; P758-S762 PolarHBondContact O-N 2.86Å; P758-S762 PolarHBondContact O-OG 3.43Å; P758-M1010 HydrophobicContact CB-SD 4.47Å |
| 759 | L | 91.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -63.7 | -47.8 | 175.5 | -177.2 | 65.4 | 0 | 0 | 0 | 112 | L678 I692 Q695 I696 I699 F755 L756 T757 T761 S762 W763 | L678-L759 HydrophobicContact CD1-CD2 4.33Å; I692-L759 HydrophobicContact CG2-CB 4.23Å; I692-L759 HydrophobicContact CG2-CD2 4.15Å; Q695-L759 HydrophobicContact CB-CD1 3.89Å; I696-L759 HydrophobicContact CD1-CB 4.33Å; I696-L759 HydrophobicContact CG1-CB 4.1Å; I696-L759 HydrophobicContact CG1-CD1 3.82Å; I699-L759 HydrophobicContact CD1-CD1 3.88Å; F755-L759 WeakPolarHBondContact O-CB 3.48Å; F755-L759 PolarHBondContact O-N 3.38Å; L756-L759 PolarHBondContact O-N 3.12Å; T757-L759 VanDerWaalsContact C-N 3.31Å; T757-L759 PolarHBondContact O-N 3.35Å; L759-T761 VanDerWaalsContact C-N 3.35Å; L759-T761 PolarHBondContact O-N 3.06Å; L759-S762 VanDerWaalsContact O-CB 3.24Å; L759-S762 WeakPolarHBondContact O-CB 3.36Å; L759-S762 PolarHBondContact O-N 3.48Å; L759-S762 VanDerWaalsContact O-N 3.14Å; L759-W763 VanDerWaalsContact O-CD1 3.29Å; L759-W763 PolarHBondContact O-N 3.29Å |
| 760 | L | 93.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -63.7 | -41.9 | 176.8 | -179.8 | 62.1 | 0 | 0 | 0 | 111.5 | W734 Y737 L756 T757 S762 W763 I764 L803 | W734-L760 HydrophobicContact CB-CD1 4.39Å; W734-L760 HydrophobicContact CE3-CD1 4.13Å; W734-L760 HydrophobicContact CE3-CD2 3.91Å; W734-L760 HydrophobicContact CZ3-CD2 4.16Å; Y737-L760 HydrophobicContact CD1-CD2 3.5Å; Y737-L760 VanDerWaalsContact CD1-CD2 3.5Å; Y737-L760 HydrophobicContact CD2-CD2 3.82Å; Y737-L760 HydrophobicContact CE1-CD2 3.93Å; Y737-L760 HydrophobicContact CE2-CD2 4.2Å; Y737-L760 HydrophobicContact CG-CD2 3.46Å; Y737-L760 VanDerWaalsContact CG-CD2 3.46Å; L756-L760 VanDerWaalsContact O-CB 3.29Å; L756-L760 WeakPolarHBondContact O-CB 3.46Å; L756-L760 PolarHBondContact O-N 2.87Å; T757-L760 PolarHBondContact O-N 2.8Å; L760-S762 PolarHBondContact O-N 2.9Å; L760-W763 PolarHBondContact O-N 3.3Å; L760-I764 HydrophobicContact CD1-CD1 4.15Å; L760-I764 HydrophobicContact CD1-CG1 4.22Å; L760-I764 HydrophobicContact CG-CD1 3.94Å; L760-I764 HydrophobicContact CG-CG1 4.44Å; L760-I764 WeakPolarHBondContact O-CG1 3.06Å; L760-I764 PolarHBondContact O-N 3.2Å; L760-L803 HydrophobicContact CD2-CD1 4.16Å; L760-L803 HydrophobicContact CD2-CD2 4.48Å |
| 761 | T | 90.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -53 | -44.1 | 173 | -54.4 | 0 | 0 | 0 | 0 | 110.7 | W483 T757 P758 L759 H765 L836 V839 | W483-T761 HydrophobicContact CB-CG2 4.33Å; W483-T761 HydrophobicContact CG-CG2 4.06Å; T757-T761 WeakPolarHBondContact O-CB 3.45Å; T757-T761 PolarHBondContact O-N 3.34Å; T757-T761 PolarHBondContact O-OG1 2.68Å; P758-T761 WeakPolarHBondContact O-CB 3.42Å; P758-T761 PolarHBondContact O-N 3.21Å; L759-T761 VanDerWaalsContact C-N 3.35Å; L759-T761 PolarHBondContact O-N 3.06Å; T761-H765 PolarHBondContact O-N 3.22Å; T761-L836 WeakPolarHBondContact OG1-CA 3.41Å; T761-L836 VanDerWaalsContact OG1-CB 3.3Å; T761-L836 WeakPolarHBondContact OG1-CB 3.26Å; T761-L836 WeakPolarHBondContact OG1-CD1 3.3Å; T761-V839 HydrophobicContact CG2-CB 4.01Å; T761-V839 HydrophobicContact CG2-CG1 4.46Å; T761-V839 HydrophobicContact CG2-CG2 3.63Å |
| 762 | S | 90 | Very high | 89.4 | Confident | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -63 | -47.1 | 180 | -50.2 | 0 | 0 | 0 | 0 | 111.8 | W483 I699 P758 L759 L760 F766 | W483-S762 WeakPolarHBondContact CZ2-OG 3.22Å; I699-S762 WeakPolarHBondContact CG2-O 3.23Å; P758-S762 WeakPolarHBondContact O-CB 3.35Å; P758-S762 PolarHBondContact O-N 2.86Å; P758-S762 PolarHBondContact O-OG 3.43Å; L759-S762 VanDerWaalsContact O-CB 3.24Å; L759-S762 WeakPolarHBondContact O-CB 3.36Å; L759-S762 PolarHBondContact O-N 3.48Å; L759-S762 VanDerWaalsContact O-N 3.14Å; L760-S762 PolarHBondContact O-N 2.9Å; S762-F766 WeakPolarHBondContact O-CB 3.37Å; S762-F766 PolarHBondContact O-N 2.67Å |
| 763 | W | 94.3 | Very high | 89.9 | Confident | 4 Ų | 4 | 7.6 Ų | 7.6 | 2% | 0.015 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -63 | -47.2 | 179.8 | -80.6 | 120.6 | 0 | 0 | 0 | 113.1 | L661 I699 I726 A730 L759 L760 H765 F766 L767 | L661-W763 HydrophobicContact CB-CH2 4.22Å; L661-W763 HydrophobicContact CD1-CH2 4.24Å; L661-W763 HydrophobicContact CD2-CH2 4.13Å; L661-W763 HydrophobicContact CD2-CZ2 3.91Å; L661-W763 HydrophobicContact CG-CH2 4.44Å; I699-W763 HydrophobicContact CD1-CD2 3.62Å; I699-W763 HydrophobicContact CD1-CE3 4.12Å; I699-W763 HydrophobicContact CD1-CG 4.02Å; I699-W763 HydrophobicContact CD1-CH2 4.25Å; I699-W763 HydrophobicContact CD1-CZ2 3.76Å; I699-W763 HydrophobicContact CD1-CZ3 4.4Å; I699-W763 HydrophobicContact CG1-CD2 4.34Å; I699-W763 HydrophobicContact CG1-CE3 4.35Å; I699-W763 HydrophobicContact CG1-CH2 4.2Å; I699-W763 HydrophobicContact CG1-CZ2 4.17Å; I699-W763 HydrophobicContact CG1-CZ3 4.27Å; I726-W763 HydrophobicContact CG2-CZ3 3.92Å; A730-W763 HydrophobicContact CB-CB 4.18Å; A730-W763 HydrophobicContact CB-CD2 3.67Å; A730-W763 HydrophobicContact CB-CE3 3.67Å; A730-W763 HydrophobicContact CB-CG 3.93Å; A730-W763 HydrophobicContact CB-CZ3 4.28Å; L759-W763 VanDerWaalsContact O-CD1 3.29Å; L759-W763 PolarHBondContact O-N 3.29Å; L760-W763 PolarHBondContact O-N 3.3Å; W763-H765 PolarHBondContact O-N 2.92Å; W763-F766 HydrophobicContact CE3-CD1 4.05Å; W763-F766 HydrophobicContact CZ3-CD1 4.02Å; W763-F766 HydrophobicContact CZ3-CE1 4.19Å; W763-F766 PolarHBondContact O-N 3.32Å; W763-L767 WeakPolarHBondContact O-CB 3.41Å; W763-L767 VanDerWaalsContact O-CG 3.29Å; W763-L767 WeakPolarHBondContact O-CG 3.32Å; W763-L767 PolarHBondContact O-N 2.82Å |
| 764 | I | 93.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -59 | -50.4 | -179.4 | -67.8 | 170.1 | 0 | 0 | 0 | 110 | L760 F766 I768 V796 L803 L836 V839 V840 | L760-I764 HydrophobicContact CD1-CD1 4.15Å; L760-I764 HydrophobicContact CD1-CG1 4.22Å; L760-I764 HydrophobicContact CG-CD1 3.94Å; L760-I764 HydrophobicContact CG-CG1 4.44Å; L760-I764 WeakPolarHBondContact O-CG1 3.06Å; L760-I764 PolarHBondContact O-N 3.2Å; I764-F766 PolarHBondContact O-N 2.76Å; I764-I768 HydrophobicContact CG2-CD1 4.03Å; I764-I768 WeakPolarHBondContact O-CD1 2.93Å; I764-I768 WeakPolarHBondContact O-CG1 3.25Å; I764-I768 PolarHBondContact O-N 2.93Å; I764-V796 HydrophobicContact CG2-CG1 4.12Å; I764-L803 HydrophobicContact CD1-CD1 3.68Å; I764-L836 HydrophobicContact CD1-CD1 4.3Å; I764-V839 HydrophobicContact CB-CG1 4.22Å; I764-V839 HydrophobicContact CG2-CG1 3.87Å; I764-V840 HydrophobicContact CD1-CG2 4.23Å |
| 765 | H | 90.7 | Very high | 90.1 | Very high | 15 Ų | 15 | 7.3 Ų | 7.3 | 7% | 0.069 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -63.3 | -45.2 | -178.5 | -168.6 | 85.3 | 0 | 0 | 0 | 112 | W483 N703 T761 W763 I768 N769 V839 | W483-H765 HydrophobicContact CD2-CB 4.46Å; W483-H765 HydrophobicContact CE3-CB 3.5Å; W483-H765 VanDerWaalsContact CE3-CB 3.5Å; W483-H765 AromaticContact CE3-CD2 3.48Å; W483-H765 VanDerWaalsContact CE3-CD2 3.48Å; W483-H765 AromaticContact CE3-CG 3.58Å; W483-H765 HydrophobicContact CZ3-CB 3.87Å; W483-H765 AromaticContact CZ3-CD2 3.85Å; W483-H765 PolarHBondContact O-CE1 2.9Å; N703-H765 PolarHBondContact ND2-CD2 2.75Å; T761-H765 PolarHBondContact O-N 3.22Å; W763-H765 PolarHBondContact O-N 2.92Å; H765-I768 PolarHBondContact O-N 3.17Å; H765-N769 PolarHBondContact CD2-ND2 2.89Å; H765-N769 PolarHBondContact NE2-ND2 3.08Å; H765-N769 PolarHBondContact O-N 2.91Å; H765-N769 PolarHBondContact O-ND2 3.2Å; H765-V839 HydrophobicContact CB-CG1 3.93Å; H765-V839 HydrophobicContact CB-CG2 4.5Å |
| 766 | F | 92.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -62.2 | -48.9 | 179.3 | 170 | -106 | 0 | 0 | 0 | 113 | I699 L702 N703 F706 L719 I726 S762 W763 I764 I768 N769 L770 | I699-F766 HydrophobicContact CG2-CB 3.41Å; I699-F766 VanDerWaalsContact CG2-CB 3.41Å; I699-F766 HydrophobicContact CG2-CD1 4.22Å; I699-F766 HydrophobicContact CG2-CD2 4.24Å; I699-F766 HydrophobicContact CG2-CG 3.7Å; L702-F766 HydrophobicContact CB-CD2 4.14Å; L702-F766 HydrophobicContact CB-CE2 3.43Å; L702-F766 VanDerWaalsContact CB-CE2 3.43Å; L702-F766 HydrophobicContact CB-CZ 4Å; L702-F766 HydrophobicContact CD1-CE2 4.29Å; L702-F766 HydrophobicContact CD1-CZ 3.99Å; N703-F766 HydrophobicContact CB-CD2 4.16Å; F706-F766 HydrophobicContact CE1-CD2 4.29Å; F706-F766 AromaticContact CE1-CE2 3.7Å; F706-F766 HydrophobicContact CE1-CE2 3.7Å; F706-F766 AromaticContact CZ-CD2 3.61Å; F706-F766 HydrophobicContact CZ-CD2 3.61Å; F706-F766 AromaticContact CZ-CE2 3.47Å; F706-F766 HydrophobicContact CZ-CE2 3.47Å; F706-F766 VanDerWaalsContact CZ-CE2 3.47Å; L719-F766 HydrophobicContact CD2-CZ 4.38Å; I726-F766 HydrophobicContact CG2-CE1 3.73Å; S762-F766 WeakPolarHBondContact O-CB 3.37Å; S762-F766 PolarHBondContact O-N 2.67Å; W763-F766 HydrophobicContact CE3-CD1 4.05Å; W763-F766 HydrophobicContact CZ3-CD1 4.02Å; W763-F766 HydrophobicContact CZ3-CE1 4.19Å; W763-F766 PolarHBondContact O-N 3.32Å; I764-F766 PolarHBondContact O-N 2.76Å; F766-I768 PolarHBondContact O-N 3.26Å; F766-N769 PolarHBondContact O-N 3.44Å; F766-L770 HydrophobicContact CE1-CD2 3.97Å; F766-L770 HydrophobicContact CZ-CB 4.47Å; F766-L770 HydrophobicContact CZ-CD2 3.84Å; F766-L770 VanDerWaalsContact O-CB 3.23Å; F766-L770 WeakPolarHBondContact O-CB 3.41Å; F766-L770 PolarHBondContact O-N 2.99Å |
| 767 | L | 94.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -60.6 | -35.7 | -177.4 | -74.8 | 175.6 | 0 | 0 | 0 | 112.2 | I726 F727 A730 W763 S771 I792 V796 W799 | I726-L767 HydrophobicContact CG2-CD2 4.07Å; F727-L767 HydrophobicContact CD2-CD1 4.28Å; A730-L767 HydrophobicContact CB-CD1 3.75Å; W763-L767 WeakPolarHBondContact O-CB 3.41Å; W763-L767 VanDerWaalsContact O-CG 3.29Å; W763-L767 WeakPolarHBondContact O-CG 3.32Å; W763-L767 PolarHBondContact O-N 2.82Å; L767-S771 WeakPolarHBondContact O-CB 3.41Å; L767-S771 PolarHBondContact O-N 3.44Å; L767-S771 PolarHBondContact O-OG 2.9Å; L767-I792 HydrophobicContact CB-CG2 4.45Å; L767-I792 HydrophobicContact CD1-CG2 4.48Å; L767-I792 HydrophobicContact CD2-CG2 4.36Å; L767-V796 HydrophobicContact CB-CG2 4.28Å; L767-V796 HydrophobicContact CD1-CG2 3.78Å; L767-W799 HydrophobicContact CD1-CH2 4.46Å; L767-W799 HydrophobicContact CD1-CZ3 4.06Å |
| 768 | I | 91.1 | Very high | 86.8 | Confident | 3 Ų | 3 | 23.2 Ų | 23.2 | 2% | 0.015 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -70.8 | -52.4 | 179.6 | -69.2 | 167.8 | 0 | 0 | 0 | 110.5 | I764 H765 F766 L770 S771 F772 I793 V796 K846 | I764-I768 HydrophobicContact CG2-CD1 4.03Å; I764-I768 WeakPolarHBondContact O-CD1 2.93Å; I764-I768 WeakPolarHBondContact O-CG1 3.25Å; I764-I768 PolarHBondContact O-N 2.93Å; H765-I768 PolarHBondContact O-N 3.17Å; F766-I768 PolarHBondContact O-N 3.26Å; I768-L770 VanDerWaalsContact C-N 3.28Å; I768-L770 PolarHBondContact O-N 3.34Å; I768-S771 WeakPolarHBondContact O-CB 3.3Å; I768-S771 PolarHBondContact O-N 3.13Å; I768-F772 HydrophobicContact CG2-CD2 3.9Å; I768-F772 HydrophobicContact CG2-CE2 3.84Å; I768-F772 WeakPolarHBondContact O-CD2 3.47Å; I768-F772 PolarHBondContact O-N 3.21Å; I768-I793 HydrophobicContact CG1-CD1 4.46Å; I768-V796 HydrophobicContact CD1-CG1 3.93Å; I768-V796 HydrophobicContact CG1-CG1 4.06Å; I768-K846 HydrophobicContact CG2-CB 3.89Å; I768-K846 HydrophobicContact CG2-CD 4.07Å |
| 769 | N | 89.5 | Confident | 85.1 | Confident | 19 Ų | 19 | 29.1 Ų | 29.1 | 10% | 0.102 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.9 | -37.6 | 179.7 | -67 | -20.9 | 0 | 0 | 0 | 111.5 | N703 F706 V707 H765 F766 S771 F772 C773 | N703-N769 PolarHBondContact OD1-ND2 3.23Å; F706-N769 HydrophobicContact CD2-CB 4.04Å; F706-N769 HydrophobicContact CE2-CB 3.45Å; F706-N769 VanDerWaalsContact CE2-CB 3.45Å; F706-N769 HydrophobicContact CZ-CB 4.47Å; V707-N769 HydrophobicContact CG2-CB 4.48Å; H765-N769 PolarHBondContact CD2-ND2 2.89Å; H765-N769 PolarHBondContact NE2-ND2 3.08Å; H765-N769 PolarHBondContact O-N 2.91Å; H765-N769 PolarHBondContact O-ND2 3.2Å; F766-N769 PolarHBondContact O-N 3.44Å; N769-S771 VanDerWaalsContact C-N 3.32Å; N769-S771 PolarHBondContact O-N 3.2Å; N769-F772 PolarHBondContact O-N 2.85Å; N769-C773 WeakPolarHBondContact O-CB 3.21Å; N769-C773 PolarHBondContact O-N 3.33Å |
| 770 | L | 91.9 | Very high | 83.2 | Confident | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.9 | -43.5 | 172.2 | 177.6 | 60.3 | 0 | 0 | 0 | 111.3 | F706 L719 L723 F766 I768 C773 L774 | F706-L770 HydrophobicContact CE1-CB 4.48Å; F706-L770 HydrophobicContact CE1-CD1 4.19Å; F706-L770 HydrophobicContact CZ-CB 4.04Å; L719-L770 HydrophobicContact CB-CD1 4.07Å; L719-L770 HydrophobicContact CD1-CD1 3.88Å; L723-L770 HydrophobicContact CD1-CD2 3.94Å; F766-L770 HydrophobicContact CE1-CD2 3.97Å; F766-L770 HydrophobicContact CZ-CB 4.47Å; F766-L770 HydrophobicContact CZ-CD2 3.84Å; F766-L770 VanDerWaalsContact O-CB 3.23Å; F766-L770 WeakPolarHBondContact O-CB 3.41Å; F766-L770 PolarHBondContact O-N 2.99Å; I768-L770 VanDerWaalsContact C-N 3.28Å; I768-L770 PolarHBondContact O-N 3.34Å; L770-C773 WeakPolarHBondContact O-CB 3.31Å; L770-C773 PolarHBondContact O-N 3.37Å; L770-L774 HydrophobicContact CD1-CD1 4.1Å; L770-L774 HydrophobicContact CD1-CG 4.09Å; L770-L774 HydrophobicContact CG-CD1 4.03Å; L770-L774 HydrophobicContact CG-CG 4.42Å; L770-L774 WeakPolarHBondContact O-CG 3.32Å; L770-L774 PolarHBondContact O-N 3.09Å |
| 771 | S | 91.5 | Very high | 81.4 | Confident | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.014 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.6 | -41.1 | 178.2 | -60.8 | 0 | 0 | 0 | 0 | 112.1 | L767 I768 N769 L774 M775 | L767-S771 WeakPolarHBondContact O-CB 3.41Å; L767-S771 PolarHBondContact O-N 3.44Å; L767-S771 PolarHBondContact O-OG 2.9Å; I768-S771 WeakPolarHBondContact O-CB 3.3Å; I768-S771 PolarHBondContact O-N 3.13Å; N769-S771 VanDerWaalsContact C-N 3.32Å; N769-S771 PolarHBondContact O-N 3.2Å; S771-L774 PolarHBondContact O-N 3.3Å; S771-M775 WeakPolarHBondContact O-CB 3.21Å; S771-M775 VanDerWaalsContact O-CG 3.22Å; S771-M775 WeakPolarHBondContact O-CG 3.32Å; S771-M775 PolarHBondContact O-N 3Å |
| 772 | F | 87.9 | Confident | 80.2 | Confident | 47 Ų | 47 | 39.5 Ų | 39.5 | 21% | 0.206 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.7 | -48 | 172.9 | -88.3 | -83.9 | 0 | 0 | 0 | 111.2 | I768 N769 L774 M775 E776 K846 L850 | I768-F772 HydrophobicContact CG2-CD2 3.9Å; I768-F772 HydrophobicContact CG2-CE2 3.84Å; I768-F772 WeakPolarHBondContact O-CD2 3.47Å; I768-F772 PolarHBondContact O-N 3.21Å; N769-F772 PolarHBondContact O-N 2.85Å; F772-L774 PolarHBondContact O-N 3.49Å; F772-M775 PolarHBondContact O-N 2.7Å; F772-E776 PolarHBondContact O-N 2.87Å; F772-E776 VanDerWaalsContact O-N 3.1Å; F772-K846 HydrophobicContact CE2-CB 3.95Å; F772-K846 HydrophobicContact CE2-CG 4.45Å; F772-K846 HydrophobicContact CZ-CB 4.36Å; F772-L850 HydrophobicContact CB-CD1 4.35Å; F772-L850 HydrophobicContact CD1-CD1 4.14Å; F772-L850 HydrophobicContact CD2-CD1 3.55Å; F772-L850 HydrophobicContact CE1-CB 4.48Å; F772-L850 HydrophobicContact CE1-CD1 4.29Å; F772-L850 HydrophobicContact CE2-CB 4.08Å; F772-L850 HydrophobicContact CE2-CD1 3.69Å; F772-L850 HydrophobicContact CE2-CG 4.44Å; F772-L850 HydrophobicContact CG-CD1 3.76Å; F772-L850 HydrophobicContact CZ-CB 3.93Å; F772-L850 HydrophobicContact CZ-CD1 4.08Å; F772-L850 HydrophobicContact CZ-CG 4.43Å |
| 773 | C | 87.7 | Confident | 79 | Confident | 19 Ų | 19 | 44.1 Ų | 44.1 | 13% | 0.128 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.3 | -46.7 | 177.5 | 173.2 | 0 | 0 | 0 | 0 | 112.3 | F706 N769 L770 M775 E776 G777 | F706-C773 HydrophobicContact CB-CB 4.08Å; F706-C773 HydrophobicContact CD2-CB 4.41Å; F706-C773 HydrophobicContact CG-CB 4.22Å; N769-C773 WeakPolarHBondContact O-CB 3.21Å; N769-C773 PolarHBondContact O-N 3.33Å; L770-C773 WeakPolarHBondContact O-CB 3.31Å; L770-C773 PolarHBondContact O-N 3.37Å; C773-M775 VanDerWaalsContact C-N 3.3Å; C773-M775 PolarHBondContact O-N 3.47Å; C773-E776 PolarHBondContact O-N 3.22Å; C773-G777 PolarHBondContact O-N 2.63Å |
| 774 | L | 87.4 | Confident | 78.2 | Confident | 2 Ų | 2 | 49.3 Ų | 49.3 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.5 | -27.2 | 178.7 | -68.3 | 174.9 | 0 | 0 | 0 | 113.2 | V716 Q720 L723 L770 S771 F772 N780 I789 | V716-L774 HydrophobicContact CG1-CD2 3.9Å; Q720-L774 HydrophobicContact CB-CD2 4.18Å; L723-L774 HydrophobicContact CD1-CD1 4.21Å; L723-L774 HydrophobicContact CD2-CD1 4.24Å; L770-L774 HydrophobicContact CD1-CD1 4.1Å; L770-L774 HydrophobicContact CD1-CG 4.09Å; L770-L774 HydrophobicContact CG-CD1 4.03Å; L770-L774 HydrophobicContact CG-CG 4.42Å; L770-L774 WeakPolarHBondContact O-CG 3.32Å; L770-L774 PolarHBondContact O-N 3.09Å; S771-L774 PolarHBondContact O-N 3.3Å; F772-L774 PolarHBondContact O-N 3.49Å; L774-N780 PolarHBondContact O-ND2 3.49Å; L774-I789 HydrophobicContact CB-CD1 3.68Å; L774-I789 HydrophobicContact CD1-CD1 4.28Å |
| 775 | M | 82.4 | Confident | 77.5 | Confident | 26 Ų | 26 | 50.3 Ų | 50.3 | 13% | 0.128 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -79.6 | -24.5 | 176.8 | -74.3 | -62.1 | -54.3 | 0 | 0 | 113.7 | S771 F772 C773 I789 L850 I854 | S771-M775 WeakPolarHBondContact O-CB 3.21Å; S771-M775 VanDerWaalsContact O-CG 3.22Å; S771-M775 WeakPolarHBondContact O-CG 3.32Å; S771-M775 PolarHBondContact O-N 3Å; F772-M775 PolarHBondContact O-N 2.7Å; C773-M775 VanDerWaalsContact C-N 3.3Å; C773-M775 PolarHBondContact O-N 3.47Å; M775-I789 HydrophobicContact CG-CD1 4.36Å; M775-I789 HydrophobicContact CG-CG2 4.29Å; M775-I789 HydrophobicContact SD-CD1 4.1Å; M775-I789 HydrophobicContact SD-CG2 4.36Å; M775-L850 HydrophobicContact CG-CD1 4.48Å; M775-L850 HydrophobicContact CG-CD2 4.13Å; M775-L850 HydrophobicContact CG-CG 4.46Å; M775-I854 HydrophobicContact CE-CG1 3.69Å; M775-I854 HydrophobicContact SD-CD1 4.24Å; M775-I854 HydrophobicContact SD-CG1 3.89Å |
| 776 | E | 76 | Confident | 77.1 | Confident | 129 Ų | 129 | 52.4 Ų | 52.4 | 60% | 0.603 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -83 | -18.8 | 177.3 | -73.8 | -174.9 | 167.8 | 0 | 0 | 113.6 | F772 C773 E778 R853 | F772-E776 PolarHBondContact O-N 2.87Å; F772-E776 VanDerWaalsContact O-N 3.1Å; C773-E776 PolarHBondContact O-N 3.22Å; E776-E778 PolarHBondContact O-N 3.46Å; E776-R853 IonicContact OE1-NH1 2.68Å |
| 777 | G | 64.7 | Low | 76.7 | Confident | 34 Ų | 34 | 58.2 Ų | 58.2 | 35% | 0.351 | 31% | 0.31 | S | S | . | . | trans | -67.1 | 118.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | C773 N779 N780 | C773-G777 PolarHBondContact O-N 2.63Å; G777-N779 PolarHBondContact O-N 3.1Å; G777-N780 PolarHBondContact O-N 2.7Å | ||
| 778 | E | 54.6 | Low | 76.3 | Confident | 184 Ų | 184 | 60.9 Ų | 60.9 | 86% | 0.86 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -23.6 | -179.3 | -64.7 | -173.1 | 161.1 | 0 | 0 | 114.5 | E776 N780 | E776-E778 PolarHBondContact O-N 3.46Å; E778-N780 PolarHBondContact O-N 2.9Å |
| 779 | N | 51.4 | Low | 76.2 | Confident | 126 Ų | 126 | 60.8 Ų | 60.8 | 67% | 0.674 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -3.9 | -174.1 | -78 | -17.5 | 0 | 0 | 0 | 115 | G777 N781 | G777-N779 PolarHBondContact O-N 3.1Å; N779-N781 PolarHBondContact O-N 3.03Å |
| 780 | N | 52.3 | Low | 76.2 | Confident | 17 Ų | 17 | 62.3 Ų | 62.3 | 9% | 0.091 | 33% | 0.332 | C | S | . | . | trans | -91.4 | 29.1 | -166.9 | -76.6 | -13.5 | 0 | 0 | 0 | 115.8 | L774 G777 E778 S782 H786 | L774-N780 PolarHBondContact O-ND2 3.49Å; G777-N780 PolarHBondContact O-N 2.7Å; E778-N780 PolarHBondContact O-N 2.9Å; N780-S782 PolarHBondContact O-N 3.24Å; N780-H786 PolarHBondContact O-CE1 3.49Å; N780-H786 PolarHBondContact O-ND1 2.7Å; N780-H786 VanDerWaalsContact O-ND1 3.16Å | ||
| 781 | N | 55.5 | Low | 76.2 | Confident | 150 Ų | 150 | 66.7 Ų | 66.7 | 80% | 0.802 | 35% | 0.353 | S | S | * | . | trans | -59.2 | -0.2 | 175.3 | -73 | -21 | 0 | 0 | 0 | 115.4 | N779 T783 | N779-N781 PolarHBondContact O-N 3.03Å; N781-T783 PolarHBondContact O-N 3.3Å | ||
| 782 | S | 63.7 | Low | 76.3 | Confident | 51 Ų | 51 | 66.7 Ų | 66.7 | 36% | 0.357 | 35% | 0.353 | S | S | . | . | trans | -69 | 123.3 | 172.2 | 72.7 | 0 | 0 | 0 | 0 | 111.1 | N780 N784 I785 H786 | N780-S782 PolarHBondContact O-N 3.24Å; S782-N784 PolarHBondContact O-N 3.49Å; S782-I785 PolarHBondContact O-N 3.28Å; S782-I785 WeakPolarHBondContact OG-CD1 3.47Å; S782-I785 WeakPolarHBondContact OG-CG1 3.21Å; S782-H786 PolarHBondContact O-ND1 2.99Å | ||
| 783 | T | 65.7 | Low | 76.6 | Confident | 98 Ų | 98 | 64.5 Ų | 64.5 | 60% | 0.601 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -61.5 | -31 | 177.8 | 50.8 | 0 | 0 | 0 | 0 | 112.6 | N781 H786 Q787 | N781-T783 PolarHBondContact O-N 3.3Å; T783-H786 PolarHBondContact O-N 3.5Å; T783-Q787 WeakPolarHBondContact O-CG 3.23Å; T783-Q787 PolarHBondContact O-N 2.82Å; T783-Q787 VanDerWaalsContact O-N 3.07Å |
| 784 | N | 76.4 | Confident | 76.8 | Confident | 112 Ų | 112 | 67.6 Ų | 67.6 | 60% | 0.599 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -65.8 | -40.2 | -178.2 | -70.6 | 0.4 | 0 | 0 | 0 | 112.5 | S782 Q787 T788 | S782-N784 PolarHBondContact O-N 3.49Å; N784-Q787 PolarHBondContact O-N 3.16Å; N784-T788 WeakPolarHBondContact O-CG2 3.28Å; N784-T788 PolarHBondContact O-N 3.41Å; N784-T788 PolarHBondContact O-OG1 2.88Å |
| 785 | I | 79.7 | Confident | 77.2 | Confident | 22 Ų | 22 | 69.7 Ų | 69.7 | 11% | 0.113 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -70.4 | -40.2 | -180 | -63.7 | 174.7 | 0 | 0 | 0 | 110.6 | Q720 S782 Q787 T788 I789 | Q720-I785 HydrophobicContact CG-CD1 3.88Å; S782-I785 PolarHBondContact O-N 3.28Å; S782-I785 WeakPolarHBondContact OG-CD1 3.47Å; S782-I785 WeakPolarHBondContact OG-CG1 3.21Å; I785-Q787 VanDerWaalsContact C-N 3.27Å; I785-Q787 PolarHBondContact O-N 2.93Å; I785-T788 WeakPolarHBondContact CA-OG1 3.39Å; I785-T788 PolarHBondContact O-N 2.93Å; I785-T788 PolarHBondContact O-OG1 3.44Å; I785-I789 HydrophobicContact CG2-CD1 3.65Å; I785-I789 HydrophobicContact CG2-CG1 4.18Å; I785-I789 WeakPolarHBondContact O-CB 3.44Å; I785-I789 VanDerWaalsContact O-CG1 3.26Å; I785-I789 WeakPolarHBondContact O-CG1 3.32Å; I785-I789 PolarHBondContact O-N 3.13Å |
| 786 | H | 82.9 | Confident | 77.8 | Confident | 59 Ų | 59 | 68.5 Ų | 68.5 | 27% | 0.273 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59.1 | -41.8 | 174.3 | -76.7 | 88 | 0 | 0 | 0 | 111.6 | N780 S782 T783 Q790 | N780-H786 PolarHBondContact O-CE1 3.49Å; N780-H786 PolarHBondContact O-ND1 2.7Å; N780-H786 VanDerWaalsContact O-ND1 3.16Å; S782-H786 PolarHBondContact O-ND1 2.99Å; T783-H786 PolarHBondContact O-N 3.5Å; H786-Q790 VanDerWaalsContact O-CB 3.28Å; H786-Q790 WeakPolarHBondContact O-CB 3.31Å; H786-Q790 PolarHBondContact O-N 3.22Å |
| 787 | Q | 84.2 | Confident | 78.7 | Confident | 122 Ų | 122 | 63.6 Ų | 63.6 | 57% | 0.57 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -65.2 | -41.2 | 176.1 | -73.2 | 174 | -4.9 | 0 | 0 | 112.7 | T783 N784 I785 Q790 M791 | T783-Q787 WeakPolarHBondContact O-CG 3.23Å; T783-Q787 PolarHBondContact O-N 2.82Å; T783-Q787 VanDerWaalsContact O-N 3.07Å; N784-Q787 PolarHBondContact O-N 3.16Å; I785-Q787 VanDerWaalsContact C-N 3.27Å; I785-Q787 PolarHBondContact O-N 2.93Å; Q787-Q790 PolarHBondContact O-N 2.99Å; Q787-M791 WeakPolarHBondContact O-CB 3.45Å; Q787-M791 PolarHBondContact O-N 2.81Å |
| 788 | T | 86.3 | Confident | 80.1 | Confident | 55 Ų | 55 | 66.2 Ų | 66.2 | 34% | 0.337 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -68.5 | -41.8 | 177.2 | 54.4 | 0 | 0 | 0 | 0 | 111.8 | N784 I785 M791 I792 | N784-T788 WeakPolarHBondContact O-CG2 3.28Å; N784-T788 PolarHBondContact O-N 3.41Å; N784-T788 PolarHBondContact O-OG1 2.88Å; I785-T788 WeakPolarHBondContact CA-OG1 3.39Å; I785-T788 PolarHBondContact O-N 2.93Å; I785-T788 PolarHBondContact O-OG1 3.44Å; T788-M791 PolarHBondContact O-N 3.05Å; T788-I792 WeakPolarHBondContact O-CG1 3.42Å; T788-I792 PolarHBondContact O-N 3.22Å |
| 789 | I | 88.7 | Confident | 82.1 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.7 | -45.5 | 175 | -67 | 170.2 | 0 | 0 | 0 | 110.4 | L723 L774 M775 I785 M791 I792 I793 L850 I854 | L723-I789 HydrophobicContact CD2-CG1 4.36Å; L774-I789 HydrophobicContact CB-CD1 3.68Å; L774-I789 HydrophobicContact CD1-CD1 4.28Å; M775-I789 HydrophobicContact CG-CD1 4.36Å; M775-I789 HydrophobicContact CG-CG2 4.29Å; M775-I789 HydrophobicContact SD-CD1 4.1Å; M775-I789 HydrophobicContact SD-CG2 4.36Å; I785-I789 HydrophobicContact CG2-CD1 3.65Å; I785-I789 HydrophobicContact CG2-CG1 4.18Å; I785-I789 WeakPolarHBondContact O-CB 3.44Å; I785-I789 VanDerWaalsContact O-CG1 3.26Å; I785-I789 WeakPolarHBondContact O-CG1 3.32Å; I785-I789 PolarHBondContact O-N 3.13Å; I789-M791 PolarHBondContact O-N 3.48Å; I789-I792 PolarHBondContact O-N 3.11Å; I789-I793 HydrophobicContact CG2-CG1 4.26Å; I789-I793 WeakPolarHBondContact O-CG1 3.44Å; I789-I793 PolarHBondContact O-N 3Å; I789-L850 HydrophobicContact CG2-CD2 4.06Å; I789-I854 HydrophobicContact CG2-CD1 4.02Å |
| 790 | Q | 89.4 | Confident | 84.2 | Confident | 52 Ų | 52 | 52 Ų | 52 | 24% | 0.243 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.2 | -48.9 | 176 | -177.3 | 179.7 | -10.3 | 0 | 0 | 111.1 | H786 Q787 I792 I793 E794 L851 I854 | H786-Q790 VanDerWaalsContact O-CB 3.28Å; H786-Q790 WeakPolarHBondContact O-CB 3.31Å; H786-Q790 PolarHBondContact O-N 3.22Å; Q787-Q790 PolarHBondContact O-N 2.99Å; Q790-I792 VanDerWaalsContact C-N 3.31Å; Q790-I792 PolarHBondContact O-N 3.15Å; Q790-I793 PolarHBondContact O-N 3.42Å; Q790-E794 HydrophobicContact CG-CG 4.4Å; Q790-E794 WeakPolarHBondContact CG-OE1 3.49Å; Q790-E794 PolarHBondContact NE2-OE1 3.48Å; Q790-E794 WeakPolarHBondContact O-CB 3.28Å; Q790-E794 WeakPolarHBondContact O-CG 3.44Å; Q790-E794 PolarHBondContact O-N 2.91Å; Q790-L851 HydrophobicContact CG-CD2 4.25Å; Q790-I854 HydrophobicContact CB-CD1 4.23Å |
| 791 | M | 92 | Very high | 86.1 | Confident | 92 Ų | 92 | 52.5 Ų | 52.5 | 45% | 0.453 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -58.5 | -41.4 | 176.8 | -178.9 | -170.8 | 71.1 | 0 | 0 | 112.4 | F727 Q787 T788 I789 N795 | F727-M791 HydrophobicContact CD1-CE 4.4Å; F727-M791 HydrophobicContact CE1-CE 4.37Å; Q787-M791 WeakPolarHBondContact O-CB 3.45Å; Q787-M791 PolarHBondContact O-N 2.81Å; T788-M791 PolarHBondContact O-N 3.05Å; I789-M791 PolarHBondContact O-N 3.48Å; M791-N795 WeakPolarHBondContact O-CB 3.45Å; M791-N795 PolarHBondContact O-N 2.78Å; M791-N795 VanDerWaalsContact O-N 3.14Å; M791-N795 PolarHBondContact O-ND2 3.39Å |
| 792 | I | 93.5 | Very high | 87.9 | Confident | 3 Ų | 3 | 49.3 Ų | 49.3 | 2% | 0.015 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.5 | -48 | 177.8 | -69.1 | 165.5 | 0 | 0 | 0 | 110.1 | L723 F727 L767 T788 I789 Q790 N795 V796 | L723-I792 HydrophobicContact CD1-CD1 3.72Å; L723-I792 HydrophobicContact CD2-CD1 3.91Å; L723-I792 HydrophobicContact CG-CD1 3.69Å; F727-I792 HydrophobicContact CB-CD1 4.23Å; F727-I792 HydrophobicContact CB-CG1 4.18Å; F727-I792 HydrophobicContact CD1-CG1 4.38Å; F727-I792 HydrophobicContact CD2-CB 4.2Å; F727-I792 HydrophobicContact CD2-CD1 4.49Å; F727-I792 HydrophobicContact CD2-CG1 3.68Å; F727-I792 HydrophobicContact CD2-CG2 3.9Å; F727-I792 HydrophobicContact CE2-CB 4.34Å; F727-I792 HydrophobicContact CE2-CG1 4.15Å; F727-I792 HydrophobicContact CE2-CG2 4.15Å; F727-I792 HydrophobicContact CG-CD1 4.4Å; F727-I792 HydrophobicContact CG-CG1 3.8Å; L767-I792 HydrophobicContact CB-CG2 4.45Å; L767-I792 HydrophobicContact CD1-CG2 4.48Å; L767-I792 HydrophobicContact CD2-CG2 4.36Å; T788-I792 WeakPolarHBondContact O-CG1 3.42Å; T788-I792 PolarHBondContact O-N 3.22Å; I789-I792 PolarHBondContact O-N 3.11Å; Q790-I792 VanDerWaalsContact C-N 3.31Å; Q790-I792 PolarHBondContact O-N 3.15Å; I792-N795 PolarHBondContact O-N 3.42Å; I792-V796 HydrophobicContact CG2-CG2 4.25Å; I792-V796 VanDerWaalsContact O-CG2 3.31Å; I792-V796 WeakPolarHBondContact O-CG2 3.47Å; I792-V796 PolarHBondContact O-N 2.72Å |
| 793 | I | 93.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.3 | -38.7 | -176.9 | -66.2 | -68.3 | 0 | 0 | 0 | 112 | I768 I789 Q790 N795 V796 L797 C847 L850 L851 | I768-I793 HydrophobicContact CG1-CD1 4.46Å; I789-I793 HydrophobicContact CG2-CG1 4.26Å; I789-I793 WeakPolarHBondContact O-CG1 3.44Å; I789-I793 PolarHBondContact O-N 3Å; Q790-I793 PolarHBondContact O-N 3.42Å; I793-N795 VanDerWaalsContact C-N 3.32Å; I793-N795 PolarHBondContact O-N 3.32Å; I793-V796 PolarHBondContact O-N 3.46Å; I793-L797 WeakPolarHBondContact O-CB 3.04Å; I793-L797 PolarHBondContact O-N 2.94Å; I793-C847 HydrophobicContact CG2-CB 3.84Å; I793-L850 HydrophobicContact CD1-CD1 4.36Å; I793-L850 HydrophobicContact CD1-CD2 4.46Å; I793-L850 HydrophobicContact CG1-CD2 3.91Å; I793-L851 HydrophobicContact CB-CD2 4.27Å; I793-L851 HydrophobicContact CG2-CD1 4.07Å; I793-L851 HydrophobicContact CG2-CD2 3.81Å; I793-L851 HydrophobicContact CG2-CG 3.59Å |
| 794 | E | 92.7 | Very high | 90.6 | Very high | 84 Ų | 84 | 42.2 Ų | 42.2 | 39% | 0.393 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.2 | -41.6 | 173.6 | -73.2 | 175.3 | -177.9 | 0 | 0 | 111.2 | Q790 N798 L851 | Q790-E794 HydrophobicContact CG-CG 4.4Å; Q790-E794 WeakPolarHBondContact CG-OE1 3.49Å; Q790-E794 PolarHBondContact NE2-OE1 3.48Å; Q790-E794 WeakPolarHBondContact O-CB 3.28Å; Q790-E794 WeakPolarHBondContact O-CG 3.44Å; Q790-E794 PolarHBondContact O-N 2.91Å; E794-N798 PolarHBondContact O-N 2.69Å; E794-N798 PolarHBondContact O-ND2 3.26Å; E794-L851 HydrophobicContact CG-CD2 3.96Å |
| 795 | N | 95.4 | Very high | 91.3 | Very high | 47 Ų | 47 | 40.9 Ų | 40.9 | 25% | 0.251 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -67.1 | -47.3 | 175.5 | -77.2 | -50.3 | 0 | 0 | 0 | 112.5 | F727 M791 I792 I793 L797 N798 W799 | F727-N795 HydrophobicContact CE2-CB 4.11Å; F727-N795 HydrophobicContact CZ-CB 3.73Å; F727-N795 WeakPolarHBondContact CZ-ND2 3.41Å; M791-N795 WeakPolarHBondContact O-CB 3.45Å; M791-N795 PolarHBondContact O-N 2.78Å; M791-N795 VanDerWaalsContact O-N 3.14Å; M791-N795 PolarHBondContact O-ND2 3.39Å; I792-N795 PolarHBondContact O-N 3.42Å; I793-N795 VanDerWaalsContact C-N 3.32Å; I793-N795 PolarHBondContact O-N 3.32Å; N795-L797 VanDerWaalsContact C-N 3.3Å; N795-L797 PolarHBondContact O-N 3.36Å; N795-N798 WeakPolarHBondContact O-CB 3.35Å; N795-N798 PolarHBondContact O-N 2.78Å; N795-N798 VanDerWaalsContact O-N 3.14Å; N795-W799 HydrophobicContact CB-CZ2 4.44Å; N795-W799 PolarHBondContact O-N 2.87Å; N795-W799 PolarHBondContact O-NE1 3.06Å |
| 796 | V | 95.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.7 | -39.5 | 178.6 | 173.9 | 0 | 0 | 0 | 0 | 110.8 | I764 L767 I768 I792 I793 N798 W799 C800 | I764-V796 HydrophobicContact CG2-CG1 4.12Å; L767-V796 HydrophobicContact CB-CG2 4.28Å; L767-V796 HydrophobicContact CD1-CG2 3.78Å; I768-V796 HydrophobicContact CD1-CG1 3.93Å; I768-V796 HydrophobicContact CG1-CG1 4.06Å; I792-V796 HydrophobicContact CG2-CG2 4.25Å; I792-V796 VanDerWaalsContact O-CG2 3.31Å; I792-V796 WeakPolarHBondContact O-CG2 3.47Å; I792-V796 PolarHBondContact O-N 2.72Å; I793-V796 PolarHBondContact O-N 3.46Å; V796-N798 VanDerWaalsContact C-N 3.34Å; V796-N798 PolarHBondContact O-N 3.34Å; V796-W799 HydrophobicContact CB-CE3 4.5Å; V796-W799 HydrophobicContact CG2-CE3 4.02Å; V796-W799 HydrophobicContact CG2-CZ3 3.96Å; V796-W799 WeakPolarHBondContact O-CB 2.95Å; V796-W799 PolarHBondContact O-N 3.41Å; V796-C800 PolarHBondContact O-N 2.98Å; V796-C800 PolarHBondContact O-SG 3.48Å; V796-C800 VanDerWaalsContact O-SG 3.32Å |
| 797 | L | 94.1 | Very high | 92.2 | Very high | 26 Ų | 26 | 37.7 Ų | 37.7 | 14% | 0.136 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.1 | -43.3 | 173.8 | -179.7 | 60.3 | 0 | 0 | 0 | 111.3 | I793 N795 W799 C800 C801 C847 I848 L851 | I793-L797 WeakPolarHBondContact O-CB 3.04Å; I793-L797 PolarHBondContact O-N 2.94Å; N795-L797 VanDerWaalsContact C-N 3.3Å; N795-L797 PolarHBondContact O-N 3.36Å; L797-W799 VanDerWaalsContact C-N 3.34Å; L797-W799 PolarHBondContact O-N 2.92Å; L797-C800 PolarHBondContact O-N 3.45Å; L797-C801 PolarHBondContact O-N 2.88Å; L797-C801 PolarHBondContact O-SG 3.2Å; L797-C847 HydrophobicContact CB-CB 4.06Å; L797-C847 HydrophobicContact CD1-CB 4.05Å; L797-C847 HydrophobicContact CG-CB 4.49Å; L797-I848 HydrophobicContact CD1-CG1 4.19Å; L797-I848 HydrophobicContact CD2-CG1 4.24Å; L797-L851 HydrophobicContact CD2-CD1 3.76Å |
| 798 | N | 94 | Very high | 92.4 | Very high | 90 Ų | 90 | 32.5 Ų | 32.5 | 48% | 0.481 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -60.9 | -42.6 | 174.3 | -70.9 | -21.5 | 0 | 0 | 0 | 111.8 | E794 N795 V796 C800 C801 E802 | E794-N798 PolarHBondContact O-N 2.69Å; E794-N798 PolarHBondContact O-ND2 3.26Å; N795-N798 WeakPolarHBondContact O-CB 3.35Å; N795-N798 PolarHBondContact O-N 2.78Å; N795-N798 VanDerWaalsContact O-N 3.14Å; V796-N798 VanDerWaalsContact C-N 3.34Å; V796-N798 PolarHBondContact O-N 3.34Å; N798-C800 VanDerWaalsContact C-N 3.34Å; N798-C800 PolarHBondContact O-N 3.32Å; N798-C801 PolarHBondContact O-N 2.94Å; N798-E802 PolarHBondContact O-N 3.41Å |
| 799 | W | 96.6 | Very high | 92.4 | Very high | 10 Ų | 10 | 37 Ų | 37 | 4% | 0.038 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.9 | -45.3 | 175.1 | -55.7 | -12.4 | 0 | 0 | 0 | 111.1 | F727 A730 Q731 W734 L767 N795 V796 L797 E802 L803 | F727-W799 HydrophobicContact CD2-CH2 4.45Å; F727-W799 AromaticContact CE2-CH2 3.78Å; F727-W799 HydrophobicContact CE2-CH2 3.78Å; F727-W799 AromaticContact CE2-CZ2 3.99Å; F727-W799 HydrophobicContact CE2-CZ2 3.99Å; F727-W799 HydrophobicContact CZ-CH2 4.38Å; F727-W799 HydrophobicContact CZ-CZ2 4.17Å; A730-W799 HydrophobicContact CB-CH2 4.26Å; A730-W799 HydrophobicContact CB-CZ3 4.43Å; Q731-W799 HydrophobicContact CB-CH2 4.39Å; Q731-W799 HydrophobicContact CB-CZ2 4.21Å; Q731-W799 HydrophobicContact CG-CZ2 4.3Å; W734-W799 HydrophobicContact CB-CD2 4.12Å; W734-W799 HydrophobicContact CB-CE3 4.34Å; W734-W799 HydrophobicContact CB-CH2 4.27Å; W734-W799 HydrophobicContact CB-CZ2 4.04Å; W734-W799 HydrophobicContact CB-CZ3 4.41Å; W734-W799 AromaticContact CD1-CD1 3.64Å; W734-W799 AromaticContact CD1-CE2 3.69Å; W734-W799 AromaticContact CD1-NE1 3.29Å; W734-W799 VanDerWaalsContact CD1-NE1 3.29Å; W734-W799 HydrophobicContact CD2-CB 4.06Å; W734-W799 AromaticContact CD2-CD1 3.63Å; W734-W799 AromaticContact CD2-CD2 3.95Å; W734-W799 HydrophobicContact CD2-CD2 3.95Å; W734-W799 AromaticContact CD2-CG 3.61Å; W734-W799 HydrophobicContact CD2-CG 3.61Å; W734-W799 AromaticContact CD2-NE1 4Å; W734-W799 AromaticContact CE2-CD1 3.31Å; W734-W799 AromaticContact CE2-CG 3.71Å; W734-W799 AromaticContact CE2-NE1 3.85Å; W734-W799 HydrophobicContact CE3-CB 3.94Å; W734-W799 HydrophobicContact CE3-CD2 4.38Å; W734-W799 AromaticContact CE3-CG 3.98Å; W734-W799 HydrophobicContact CE3-CG 3.98Å; W734-W799 AromaticContact CG-CD1 3.81Å; W734-W799 AromaticContact CG-CD2 3.82Å; W734-W799 HydrophobicContact CG-CD2 3.82Å; W734-W799 AromaticContact CG-CE2 3.64Å; W734-W799 HydrophobicContact CG-CE3 4.48Å; W734-W799 AromaticContact CG-CG 3.95Å; W734-W799 HydrophobicContact CG-CG 3.95Å; W734-W799 HydrophobicContact CG-CZ2 4.18Å; W734-W799 AromaticContact CG-NE1 3.64Å; W734-W799 HydrophobicContact CH2-CB 3.97Å; W734-W799 HydrophobicContact CH2-CG 4.43Å; W734-W799 HydrophobicContact CZ2-CB 4.08Å; W734-W799 AromaticContact CZ2-CD1 3.79Å; W734-W799 HydrophobicContact CZ2-CG 4.1Å; W734-W799 HydrophobicContact CZ3-CB 3.91Å; W734-W799 HydrophobicContact CZ3-CG 4.38Å; W734-W799 AromaticContact NE1-CD1 3.32Å; W734-W799 VanDerWaalsContact NE1-CD1 3.32Å; W734-W799 AromaticContact NE1-NE1 3.41Å; L767-W799 HydrophobicContact CD1-CH2 4.46Å; L767-W799 HydrophobicContact CD1-CZ3 4.06Å; N795-W799 HydrophobicContact CB-CZ2 4.44Å; N795-W799 PolarHBondContact O-N 2.87Å; N795-W799 PolarHBondContact O-NE1 3.06Å; V796-W799 HydrophobicContact CB-CE3 4.5Å; V796-W799 HydrophobicContact CG2-CE3 4.02Å; V796-W799 HydrophobicContact CG2-CZ3 3.96Å; V796-W799 WeakPolarHBondContact O-CB 2.95Å; V796-W799 PolarHBondContact O-N 3.41Å; L797-W799 VanDerWaalsContact C-N 3.34Å; L797-W799 PolarHBondContact O-N 2.92Å; W799-E802 PolarHBondContact O-N 3.42Å; W799-L803 WeakPolarHBondContact O-CB 3Å; W799-L803 VanDerWaalsContact O-CG 3.28Å; W799-L803 WeakPolarHBondContact O-CG 3.47Å; W799-L803 PolarHBondContact O-N 3.18Å |
| 800 | C | 94.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.2 | -44.2 | 176.7 | -67.3 | 0 | 0 | 0 | 0 | 111.8 | V796 L797 N798 E802 L803 E804 V840 S843 | V796-C800 PolarHBondContact O-N 2.98Å; V796-C800 PolarHBondContact O-SG 3.48Å; V796-C800 VanDerWaalsContact O-SG 3.32Å; L797-C800 PolarHBondContact O-N 3.45Å; N798-C800 VanDerWaalsContact C-N 3.34Å; N798-C800 PolarHBondContact O-N 3.32Å; C800-E802 PolarHBondContact O-N 3.29Å; C800-L803 PolarHBondContact O-N 3.24Å; C800-E804 VanDerWaalsContact O-CB 3.29Å; C800-E804 WeakPolarHBondContact O-CB 3.5Å; C800-E804 VanDerWaalsContact O-CG 3.23Å; C800-E804 WeakPolarHBondContact O-CG 3.15Å; C800-E804 PolarHBondContact O-N 2.96Å; C800-V840 HydrophobicContact CB-CG1 4.15Å; C800-S843 PolarHBondContact SG-OG 3.42Å |
| 801 | C | 92.5 | Very high | 91.8 | Very high | 29 Ų | 29 | 38 Ų | 38 | 20% | 0.196 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.5 | -40.4 | 176.6 | -70.9 | 0 | 0 | 0 | 0 | 112.5 | L797 N798 N805 | L797-C801 PolarHBondContact O-N 2.88Å; L797-C801 PolarHBondContact O-SG 3.2Å; N798-C801 PolarHBondContact O-N 2.94Å; C801-N805 VanDerWaalsContact O-CG 3.31Å; C801-N805 PolarHBondContact O-N 2.81Å; C801-N805 PolarHBondContact O-ND2 3.46Å |
| 802 | E | 92.9 | Very high | 91.3 | Very high | 82 Ų | 82 | 38.8 Ų | 38.8 | 38% | 0.383 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -68.2 | -40.1 | 175.2 | -74.1 | -172.7 | -164.5 | 0 | 0 | 112.3 | W734 H738 N798 W799 C800 N805 H806 | W734-E802 HydrophobicContact CH2-CB 3.97Å; W734-E802 HydrophobicContact CZ2-CB 4.22Å; W734-E802 VanDerWaalsContact CZ2-OE2 3.27Å; W734-E802 WeakPolarHBondContact CZ2-OE2 3.46Å; H738-E802 IonicContact CD2-OE2 3.39Å; H738-E802 PolarHBondContact CD2-OE2 3.29Å; H738-E802 IonicContact NE2-OE2 3.26Å; H738-E802 PolarHBondContact NE2-OE2 2.82Å; N798-E802 PolarHBondContact O-N 3.41Å; W799-E802 PolarHBondContact O-N 3.42Å; C800-E802 PolarHBondContact O-N 3.29Å; E802-N805 WeakPolarHBondContact O-CB 3.3Å; E802-N805 PolarHBondContact O-N 3.5Å; E802-H806 PolarHBondContact O-N 3.01Å |
| 803 | L | 94.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.9 | -40.2 | 174.3 | -74 | 168.3 | 0 | 0 | 0 | 112.1 | W734 Y737 I742 L760 I764 W799 C800 N805 H806 I807 L836 V840 | W734-L803 HydrophobicContact CH2-CG 4.14Å; W734-L803 HydrophobicContact CZ3-CD1 3.91Å; W734-L803 HydrophobicContact CZ3-CD2 4.08Å; W734-L803 HydrophobicContact CZ3-CG 3.76Å; Y737-L803 HydrophobicContact CD1-CD2 4.31Å; Y737-L803 HydrophobicContact CE1-CD2 3.46Å; Y737-L803 VanDerWaalsContact CE1-CD2 3.46Å; I742-L803 HydrophobicContact CD1-CD2 4.23Å; L760-L803 HydrophobicContact CD2-CD1 4.16Å; L760-L803 HydrophobicContact CD2-CD2 4.48Å; I764-L803 HydrophobicContact CD1-CD1 3.68Å; W799-L803 WeakPolarHBondContact O-CB 3Å; W799-L803 VanDerWaalsContact O-CG 3.28Å; W799-L803 WeakPolarHBondContact O-CG 3.47Å; W799-L803 PolarHBondContact O-N 3.18Å; C800-L803 PolarHBondContact O-N 3.24Å; L803-N805 VanDerWaalsContact C-N 3.31Å; L803-N805 PolarHBondContact O-N 2.95Å; L803-H806 WeakPolarHBondContact O-CB 3.16Å; L803-H806 PolarHBondContact O-N 2.79Å; L803-I807 WeakPolarHBondContact O-CB 3.5Å; L803-I807 WeakPolarHBondContact O-CD1 3.35Å; L803-I807 WeakPolarHBondContact O-CG1 3.38Å; L803-I807 PolarHBondContact O-N 3.08Å; L803-L836 HydrophobicContact CD1-CD1 4.4Å; L803-L836 HydrophobicContact CD2-CD2 4.4Å; L803-V840 HydrophobicContact CB-CG1 3.91Å; L803-V840 HydrophobicContact CB-CG2 4.04Å; L803-V840 HydrophobicContact CD1-CG2 3.58Å; L803-V840 HydrophobicContact CG-CG2 4.42Å |
| 804 | E | 93.3 | Very high | 88.6 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.9 | -44.6 | 172.9 | -81.3 | 174.1 | -178.7 | 0 | 0 | 110.7 | C800 I807 S808 V840 S844 H869 S873 L874 I877 | C800-E804 VanDerWaalsContact O-CB 3.29Å; C800-E804 WeakPolarHBondContact O-CB 3.5Å; C800-E804 VanDerWaalsContact O-CG 3.23Å; C800-E804 WeakPolarHBondContact O-CG 3.15Å; C800-E804 PolarHBondContact O-N 2.96Å; E804-I807 PolarHBondContact O-N 2.88Å; E804-S808 WeakPolarHBondContact O-CB 3.06Å; E804-S808 PolarHBondContact O-N 3.18Å; E804-V840 HydrophobicContact CG-CG1 3.74Å; E804-S844 WeakPolarHBondContact OE1-CB 3.35Å; E804-S844 PolarHBondContact OE1-OG 2.87Å; E804-H869 IonicContact OE1-CE1 3.55Å; E804-H869 IonicContact OE1-NE2 2.67Å; E804-H869 PolarHBondContact OE1-NE2 3.42Å; E804-H869 IonicContact OE2-CE1 3.32Å; E804-H869 PolarHBondContact OE2-CE1 2.89Å; E804-H869 IonicContact OE2-NE2 2.86Å; E804-H869 PolarHBondContact OE2-NE2 3.1Å; E804-S873 WeakPolarHBondContact OE2-CB 3.36Å; E804-L874 WeakPolarHBondContact OE1-CD2 3.43Å; E804-I877 HydrophobicContact CB-CD1 3.61Å; E804-I877 HydrophobicContact CG-CD1 3.77Å; E804-I877 WeakPolarHBondContact O-CD1 3.49Å |
| 805 | N | 90.3 | Very high | 87 | Confident | 83 Ų | 83 | 41.8 Ų | 41.8 | 44% | 0.444 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -64.3 | -41.1 | 173.9 | -73.5 | -39.2 | 0 | 0 | 0 | 112.5 | C801 E802 L803 S808 K809 | C801-N805 VanDerWaalsContact O-CG 3.31Å; C801-N805 PolarHBondContact O-N 2.81Å; C801-N805 PolarHBondContact O-ND2 3.46Å; E802-N805 WeakPolarHBondContact O-CB 3.3Å; E802-N805 PolarHBondContact O-N 3.5Å; L803-N805 VanDerWaalsContact C-N 3.31Å; L803-N805 PolarHBondContact O-N 2.95Å; N805-S808 PolarHBondContact O-N 3.34Å; N805-K809 WeakPolarHBondContact O-CB 3.36Å; N805-K809 VanDerWaalsContact O-CG 3.3Å; N805-K809 WeakPolarHBondContact O-CG 3.47Å; N805-K809 PolarHBondContact O-N 3.25Å |
| 806 | H | 91.3 | Very high | 84.8 | Confident | 14 Ų | 14 | 46.7 Ų | 46.7 | 7% | 0.065 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.5 | -46.7 | 175.9 | -177.2 | 59.6 | 0 | 0 | 0 | 111.8 | F741 E802 L803 S808 K809 K810 A830 | F741-H806 PolarHBondContact O-CE1 3.46Å; E802-H806 PolarHBondContact O-N 3.01Å; L803-H806 WeakPolarHBondContact O-CB 3.16Å; L803-H806 PolarHBondContact O-N 2.79Å; H806-S808 VanDerWaalsContact C-N 3.35Å; H806-S808 PolarHBondContact O-N 2.8Å; H806-K809 PolarHBondContact O-N 3.44Å; H806-K810 WeakPolarHBondContact O-CB 3.16Å; H806-K810 WeakPolarHBondContact O-CG 3.26Å; H806-K810 PolarHBondContact O-N 3.4Å; H806-A830 PolarHBondContact NE2-O 3.3Å |
| 807 | I | 89.6 | Confident | 82.6 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -57.4 | -48.8 | 174.6 | -69.4 | 161.7 | 0 | 0 | 0 | 109.8 | L803 E804 K809 K810 L811 L832 M837 V840 | L803-I807 WeakPolarHBondContact O-CB 3.5Å; L803-I807 WeakPolarHBondContact O-CD1 3.35Å; L803-I807 WeakPolarHBondContact O-CG1 3.38Å; L803-I807 PolarHBondContact O-N 3.08Å; E804-I807 PolarHBondContact O-N 2.88Å; I807-K809 PolarHBondContact O-N 3.22Å; I807-K810 PolarHBondContact O-N 3.21Å; I807-L811 HydrophobicContact CG2-CD1 3.61Å; I807-L811 HydrophobicContact CG2-CG 4.13Å; I807-L811 WeakPolarHBondContact O-CB 3.36Å; I807-L811 VanDerWaalsContact O-CG 3.28Å; I807-L811 WeakPolarHBondContact O-CG 3.2Å; I807-L811 PolarHBondContact O-N 3.02Å; I807-L832 HydrophobicContact CG1-CD1 4.09Å; I807-L832 HydrophobicContact CG1-CD2 3.76Å; I807-M837 HydrophobicContact CD1-CB 4.37Å; I807-M837 HydrophobicContact CD1-CG 3.88Å; I807-M837 HydrophobicContact CG1-CG 4.11Å; I807-M837 HydrophobicContact CG2-CE 4Å; I807-M837 HydrophobicContact CG2-CG 4.45Å; I807-V840 HydrophobicContact CD1-CG1 4.32Å |
| 808 | S | 88.5 | Confident | 80.4 | Confident | 13 Ų | 13 | 53.4 Ų | 53.4 | 9% | 0.091 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.2 | -48.3 | 179.4 | -169.1 | 0 | 0 | 0 | 0 | 111.8 | E804 N805 H806 K810 Q812 | E804-S808 WeakPolarHBondContact O-CB 3.06Å; E804-S808 PolarHBondContact O-N 3.18Å; N805-S808 PolarHBondContact O-N 3.34Å; H806-S808 VanDerWaalsContact C-N 3.35Å; H806-S808 PolarHBondContact O-N 2.8Å; S808-K810 PolarHBondContact O-N 3.45Å; S808-Q812 WeakPolarHBondContact O-CB 3.28Å; S808-Q812 WeakPolarHBondContact O-CG 3.16Å; S808-Q812 PolarHBondContact O-N 3.38Å |
| 809 | K | 85.9 | Confident | 78.7 | Confident | 149 Ų | 149 | 52.5 Ų | 52.5 | 65% | 0.648 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -60.4 | -44.2 | 178.2 | -74.1 | 174.6 | -178.1 | 179.6 | 0 | 112.5 | N805 H806 I807 S813 | N805-K809 WeakPolarHBondContact O-CB 3.36Å; N805-K809 VanDerWaalsContact O-CG 3.3Å; N805-K809 WeakPolarHBondContact O-CG 3.47Å; N805-K809 PolarHBondContact O-N 3.25Å; H806-K809 PolarHBondContact O-N 3.44Å; I807-K809 PolarHBondContact O-N 3.22Å; K809-S813 PolarHBondContact O-N 3.21Å; K809-S813 VanDerWaalsContact O-N 3.12Å; K809-S813 PolarHBondContact O-OG 2.96Å |
| 810 | K | 84.8 | Confident | 77 | Confident | 75 Ų | 75 | 55.4 Ų | 55.4 | 33% | 0.326 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -74.2 | -39.4 | -177.2 | -68.8 | -66.1 | -176.3 | -179.2 | 0 | 113.1 | H806 I807 S808 Q812 S813 N814 A830 L832 | H806-K810 WeakPolarHBondContact O-CB 3.16Å; H806-K810 WeakPolarHBondContact O-CG 3.26Å; H806-K810 PolarHBondContact O-N 3.4Å; I807-K810 PolarHBondContact O-N 3.21Å; S808-K810 PolarHBondContact O-N 3.45Å; K810-Q812 VanDerWaalsContact C-N 3.32Å; K810-S813 PolarHBondContact O-N 3.28Å; K810-S813 PolarHBondContact O-OG 3.41Å; K810-N814 WeakPolarHBondContact O-CB 3.44Å; K810-N814 VanDerWaalsContact O-CG 3.25Å; K810-N814 PolarHBondContact O-N 3.09Å; K810-N814 VanDerWaalsContact O-N 3.15Å; K810-N814 PolarHBondContact O-OD1 3.29Å; K810-A830 HydrophobicContact CD-CB 3.86Å; K810-A830 HydrophobicContact CG-CB 3.98Å; K810-L832 HydrophobicContact CB-CD1 4.01Å; K810-L832 HydrophobicContact CG-CD1 4.24Å |
| 811 | L | 82.2 | Confident | 75.4 | Confident | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.7 | -39.7 | 173 | -70.4 | 179.2 | 0 | 0 | 0 | 110.8 | I807 N814 L815 F823 L827 M837 L880 F882 | I807-L811 HydrophobicContact CG2-CD1 3.61Å; I807-L811 HydrophobicContact CG2-CG 4.13Å; I807-L811 WeakPolarHBondContact O-CB 3.36Å; I807-L811 VanDerWaalsContact O-CG 3.28Å; I807-L811 WeakPolarHBondContact O-CG 3.2Å; I807-L811 PolarHBondContact O-N 3.02Å; L811-N814 PolarHBondContact O-N 2.89Å; L811-L815 WeakPolarHBondContact O-CG 3.29Å; L811-L815 PolarHBondContact O-N 3.29Å; L811-F823 HydrophobicContact CD2-CE2 3.9Å; L811-F823 HydrophobicContact CD2-CZ 3.5Å; L811-F823 VanDerWaalsContact CD2-CZ 3.5Å; L811-L827 HydrophobicContact CD2-CD2 4.29Å; L811-M837 HydrophobicContact CD1-CE 3.98Å; L811-L880 HydrophobicContact CB-CD1 3.59Å; L811-L880 HydrophobicContact CD1-CD1 3.99Å; L811-L880 HydrophobicContact CG-CD1 4.46Å; L811-F882 HydrophobicContact CD1-CD1 3.81Å; L811-F882 HydrophobicContact CD1-CE1 4.25Å; L811-F882 HydrophobicContact CD1-CG 4.24Å; L811-F882 HydrophobicContact CD2-CD1 4.05Å; L811-F882 HydrophobicContact CD2-CD2 3.96Å; L811-F882 HydrophobicContact CD2-CE1 4.25Å; L811-F882 HydrophobicContact CD2-CE2 4.19Å; L811-F882 HydrophobicContact CD2-CG 3.89Å; L811-F882 HydrophobicContact CD2-CZ 4.31Å |
| 812 | Q | 80.5 | Confident | 74.2 | Confident | 108 Ų | 108 | 59.4 Ų | 59.4 | 51% | 0.505 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.5 | -41.6 | 175.7 | -77 | 176.3 | 1.4 | 0 | 0 | 113.2 | S808 K810 L880 | S808-Q812 WeakPolarHBondContact O-CB 3.28Å; S808-Q812 WeakPolarHBondContact O-CG 3.16Å; S808-Q812 PolarHBondContact O-N 3.38Å; K810-Q812 VanDerWaalsContact C-N 3.32Å; Q812-L880 HydrophobicContact CG-CD1 4.37Å; Q812-L880 HydrophobicContact CG-CD2 3.39Å |
| 813 | S | 69.5 | Low | 73.1 | Confident | 62 Ų | 62 | 55.8 Ų | 55.8 | 43% | 0.434 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -69 | -34.7 | 179.6 | 61.2 | 0 | 0 | 0 | 0 | 113.2 | K809 K810 | K809-S813 PolarHBondContact O-N 3.21Å; K809-S813 VanDerWaalsContact O-N 3.12Å; K809-S813 PolarHBondContact O-OG 2.96Å; K810-S813 PolarHBondContact O-N 3.28Å; K810-S813 PolarHBondContact O-OG 3.41Å |
| 814 | N | 62 | Low | 72.1 | Confident | 24 Ų | 24 | 56.9 Ų | 56.9 | 13% | 0.128 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -89.1 | -5.2 | -171.1 | -64.4 | 2.3 | 0 | 0 | 0 | 113.8 | K810 L811 I816 T817 F823 D826 | K810-N814 WeakPolarHBondContact O-CB 3.44Å; K810-N814 VanDerWaalsContact O-CG 3.25Å; K810-N814 PolarHBondContact O-N 3.09Å; K810-N814 VanDerWaalsContact O-N 3.15Å; K810-N814 PolarHBondContact O-OD1 3.29Å; L811-N814 PolarHBondContact O-N 2.89Å; N814-I816 PolarHBondContact O-N 2.94Å; N814-T817 PolarHBondContact O-N 3.45Å; N814-T817 PolarHBondContact O-OG1 3.22Å; N814-F823 HydrophobicContact CB-CD2 3.98Å; N814-F823 HydrophobicContact CB-CE2 4.06Å; N814-D826 WeakPolarHBondContact ND2-CB 3.2Å |
| 815 | L | 57.9 | Low | 71.2 | Confident | 64 Ų | 64 | 62.9 Ų | 62.9 | 34% | 0.335 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -10.1 | 175.4 | -78.5 | 165 | 0 | 0 | 0 | 114.3 | L811 P881 | L811-L815 WeakPolarHBondContact O-CG 3.29Å; L811-L815 PolarHBondContact O-N 3.29Å; L815-P881 HydrophobicContact CD1-CG 3.72Å; L815-P881 HydrophobicContact CD2-CG 3.71Å; L815-P881 HydrophobicContact CG-CG 4.35Å |
| 816 | I | 50 | Low | 70.6 | Confident | 150 Ų | 150 | 60.9 Ų | 60.9 | 77% | 0.769 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -15.5 | 177.7 | -53.8 | 173.2 | 0 | 0 | 0 | 111.5 | N814 P818 | N814-I816 PolarHBondContact O-N 2.94Å; I816-P818 WeakPolarHBondContact O-CD 3.34Å |
| 817 | T | 50.2 | Low | 70 | Confident | 43 Ų | 43 | 60.4 Ų | 60.4 | 26% | 0.264 | 31% | 0.312 | S | S | . | . | trans | -72.2 | 116.5 | -178.2 | 57.1 | 0 | 0 | 0 | 0 | 111 | N814 V819 D826 | N814-T817 PolarHBondContact O-N 3.45Å; N814-T817 PolarHBondContact O-OG1 3.22Å; T817-V819 PolarHBondContact O-N 3.44Å; T817-D826 WeakPolarHBondContact CG2-OD2 3.31Å | ||
| 818 | P | 47.5 | Very low | 69.5 | Low | 124 Ų | 124 | 61 Ų | 61 | 81% | 0.805 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -74.7 | -14 | -178.5 | 28.4 | -31.9 | 0 | 0 | 0 | 113.3 | I816 | I816-P818 WeakPolarHBondContact O-CD 3.34Š|
| 819 | V | 57.3 | Low | 69.1 | Low | 70 Ų | 70 | 64.7 Ų | 64.7 | 42% | 0.424 | 33% | 0.332 | S | S | . | . | trans | -118.8 | 111.5 | -174.6 | -174.4 | 0 | 0 | 0 | 0 | 109.9 | T817 E821 S822 | T817-V819 PolarHBondContact O-N 3.44Å; V819-E821 HydrophobicContact CG1-CB 4.1Å; V819-E821 HydrophobicContact CG1-CG 4.36Å; V819-E821 PolarHBondContact O-N 3.07Å; V819-E821 VanDerWaalsContact O-N 3.08Å; V819-S822 WeakPolarHBondContact O-CB 3.26Å; V819-S822 PolarHBondContact O-N 3.07Å; V819-S822 PolarHBondContact O-OG 2.83Å | ||
| 820 | W | 61.7 | Low | 69 | Low | 72 Ų | 72 | 58 Ų | 58 | 27% | 0.273 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -57.2 | -25 | -178.6 | -70 | 99.1 | 0 | 0 | 0 | 115.5 | S822 F823 E824 F882 Q885 | W820-S822 PolarHBondContact O-N 3.47Å; W820-F823 HydrophobicContact CE3-CB 4.3Å; W820-F823 HydrophobicContact CE3-CD1 4.09Å; W820-F823 HydrophobicContact CE3-CG 4.22Å; W820-F823 HydrophobicContact CZ3-CD1 4.19Å; W820-F823 HydrophobicContact CZ3-CE1 4.44Å; W820-F823 HydrophobicContact CZ3-CG 4.35Å; W820-F823 VanDerWaalsContact O-CB 3.31Å; W820-F823 WeakPolarHBondContact O-CB 3.35Å; W820-F823 PolarHBondContact O-N 3.47Å; W820-F823 VanDerWaalsContact O-N 3.08Å; W820-E824 PolarHBondContact O-N 3.23Å; W820-F882 HydrophobicContact CZ3-CD2 4.28Å; W820-F882 HydrophobicContact CZ3-CE2 4.3Å; W820-Q885 HydrophobicContact CH2-CB 3.42Å; W820-Q885 VanDerWaalsContact CH2-CB 3.42Å; W820-Q885 HydrophobicContact CH2-CG 4.25Å; W820-Q885 HydrophobicContact CZ2-CB 3.38Å; W820-Q885 HydrophobicContact CZ2-CG 4Å; W820-Q885 VanDerWaalsContact CZ2-OE1 3.29Å |
| 821 | E | 61.8 | Low | 69 | Low | 72 Ų | 72 | 54.5 Ų | 54.5 | 34% | 0.336 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.1 | -33.1 | 175.6 | -59.7 | 178 | 168.8 | 0 | 0 | 111.6 | V819 F823 K978 | V819-E821 HydrophobicContact CG1-CB 4.1Å; V819-E821 HydrophobicContact CG1-CG 4.36Å; V819-E821 PolarHBondContact O-N 3.07Å; V819-E821 VanDerWaalsContact O-N 3.08Å; E821-F823 VanDerWaalsContact C-N 3.34Å; E821-K978 WeakPolarHBondContact OE1-CE 3.18Å; E821-K978 IonicContact OE1-NZ 3.96Å; E821-K978 PolarHBondContact OE1-NZ 3.26Å |
| 822 | S | 65.9 | Low | 69.2 | Low | 40 Ų | 40 | 54.5 Ų | 54.5 | 28% | 0.28 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -69.3 | -34.3 | 171.4 | 63 | 0 | 0 | 0 | 0 | 111.9 | V819 W820 E824 K825 D826 | V819-S822 WeakPolarHBondContact O-CB 3.26Å; V819-S822 PolarHBondContact O-N 3.07Å; V819-S822 PolarHBondContact O-OG 2.83Å; W820-S822 PolarHBondContact O-N 3.47Å; S822-E824 PolarHBondContact O-N 2.96Å; S822-K825 WeakPolarHBondContact O-CB 3.23Å; S822-K825 PolarHBondContact O-N 2.61Å; S822-D826 WeakPolarHBondContact O-CB 3.26Å; S822-D826 PolarHBondContact O-N 3.47Å |
| 823 | F | 71 | Confident | 69.4 | Low | 7 Ų | 7 | 49.7 Ų | 49.7 | 3% | 0.031 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.4 | -41.5 | -178.3 | 177.6 | -94.7 | 0 | 0 | 0 | 113.4 | L811 N814 W820 E821 K825 D826 L827 F882 | L811-F823 HydrophobicContact CD2-CE2 3.9Å; L811-F823 HydrophobicContact CD2-CZ 3.5Å; L811-F823 VanDerWaalsContact CD2-CZ 3.5Å; N814-F823 HydrophobicContact CB-CD2 3.98Å; N814-F823 HydrophobicContact CB-CE2 4.06Å; W820-F823 HydrophobicContact CE3-CB 4.3Å; W820-F823 HydrophobicContact CE3-CD1 4.09Å; W820-F823 HydrophobicContact CE3-CG 4.22Å; W820-F823 HydrophobicContact CZ3-CD1 4.19Å; W820-F823 HydrophobicContact CZ3-CE1 4.44Å; W820-F823 HydrophobicContact CZ3-CG 4.35Å; W820-F823 VanDerWaalsContact O-CB 3.31Å; W820-F823 WeakPolarHBondContact O-CB 3.35Å; W820-F823 PolarHBondContact O-N 3.47Å; W820-F823 VanDerWaalsContact O-N 3.08Å; E821-F823 VanDerWaalsContact C-N 3.34Å; F823-K825 VanDerWaalsContact C-N 3.33Å; F823-K825 PolarHBondContact O-N 2.84Å; F823-D826 PolarHBondContact O-N 2.98Å; F823-L827 HydrophobicContact CD1-CD1 3.96Å; F823-L827 HydrophobicContact CD1-CG 4.24Å; F823-L827 HydrophobicContact CE1-CD1 3.27Å; F823-L827 HydrophobicContact CE1-CD2 4.39Å; F823-L827 HydrophobicContact CE1-CG 3.76Å; F823-L827 HydrophobicContact CE2-CD2 4.45Å; F823-L827 HydrophobicContact CE2-CG 4.37Å; F823-L827 HydrophobicContact CZ-CD1 3.7Å; F823-L827 HydrophobicContact CZ-CD2 3.98Å; F823-L827 HydrophobicContact CZ-CG 3.82Å; F823-L827 WeakPolarHBondContact O-CG 3.46Å; F823-L827 PolarHBondContact O-N 3.31Å; F823-F882 HydrophobicContact CD1-CE2 4.45Å; F823-F882 HydrophobicContact CE1-CD2 4.09Å; F823-F882 AromaticContact CE1-CE2 3.35Å; F823-F882 HydrophobicContact CE1-CE2 3.35Å; F823-F882 HydrophobicContact CE1-CZ 4.13Å; F823-F882 HydrophobicContact CE2-CD2 4.23Å; F823-F882 HydrophobicContact CE2-CE2 4.28Å; F823-F882 AromaticContact CZ-CD2 3.57Å; F823-F882 HydrophobicContact CZ-CD2 3.57Å; F823-F882 AromaticContact CZ-CE2 3.24Å; F823-F882 HydrophobicContact CZ-CE2 3.24Å; F823-F882 HydrophobicContact CZ-CZ 4.08Å |
| 824 | E | 73 | Confident | 70.2 | Confident | 22 Ų | 22 | 47 Ų | 47 | 10% | 0.103 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.1 | -39.9 | 177 | -74.9 | 177.1 | -152.4 | 0 | 0 | 112 | W820 S822 L827 T828 R889 N1011 Y1014 | W820-E824 PolarHBondContact O-N 3.23Å; S822-E824 PolarHBondContact O-N 2.96Å; E824-L827 PolarHBondContact O-N 3.02Å; E824-T828 WeakPolarHBondContact O-CG2 3.37Å; E824-T828 PolarHBondContact O-N 2.94Å; E824-R889 IonicContact OE1-NH1 3.73Å; E824-N1011 HydrophobicContact CB-CB 4.02Å; E824-N1011 HydrophobicContact CG-CB 4.08Å; E824-N1011 PolarHBondContact O-ND2 3.32Å; E824-Y1014 PolarHBondContact OE1-OH 3.21Å |
| 825 | K | 74.5 | Confident | 71.3 | Confident | 127 Ų | 127 | 46.1 Ų | 46.1 | 55% | 0.552 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -63.8 | -46.8 | 174.3 | -174.8 | -177.1 | 172.5 | -170 | 0 | 110.6 | S822 F823 L827 T828 E829 | S822-K825 WeakPolarHBondContact O-CB 3.23Å; S822-K825 PolarHBondContact O-N 2.61Å; F823-K825 VanDerWaalsContact C-N 3.33Å; F823-K825 PolarHBondContact O-N 2.84Å; K825-L827 VanDerWaalsContact C-N 3.29Å; K825-L827 PolarHBondContact O-N 3.2Å; K825-T828 PolarHBondContact O-N 3.48Å; K825-T828 VanDerWaalsContact O-N 3.08Å; K825-T828 PolarHBondContact O-OG1 3.5Å; K825-E829 WeakPolarHBondContact CE-OE1 3.42Å; K825-E829 WeakPolarHBondContact O-CG 3.5Å; K825-E829 PolarHBondContact O-N 3.23Å |
| 826 | D | 77.2 | Confident | 72.8 | Confident | 41 Ų | 41 | 43.1 Ų | 43.1 | 22% | 0.219 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.8 | -35.8 | 178.9 | -62.1 | -17.2 | 0 | 0 | 0 | 112.1 | N814 T817 S822 F823 E829 A830 | N814-D826 WeakPolarHBondContact ND2-CB 3.2Å; T817-D826 WeakPolarHBondContact CG2-OD2 3.31Å; S822-D826 WeakPolarHBondContact O-CB 3.26Å; S822-D826 PolarHBondContact O-N 3.47Å; F823-D826 PolarHBondContact O-N 2.98Å; D826-E829 PolarHBondContact O-N 3.35Å; D826-A830 WeakPolarHBondContact O-CB 3.37Å; D826-A830 PolarHBondContact O-N 3.46Å |
| 827 | L | 80.1 | Confident | 74.7 | Confident | 4 Ų | 4 | 36 Ų | 36 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.6 | -46.4 | 171.8 | -77.6 | -176.7 | 0 | 0 | 0 | 111.5 | L811 F823 E824 K825 E829 A830 G831 L832 | L811-L827 HydrophobicContact CD2-CD2 4.29Å; F823-L827 HydrophobicContact CD1-CD1 3.96Å; F823-L827 HydrophobicContact CD1-CG 4.24Å; F823-L827 HydrophobicContact CE1-CD1 3.27Å; F823-L827 HydrophobicContact CE1-CD2 4.39Å; F823-L827 HydrophobicContact CE1-CG 3.76Å; F823-L827 HydrophobicContact CE2-CD2 4.45Å; F823-L827 HydrophobicContact CE2-CG 4.37Å; F823-L827 HydrophobicContact CZ-CD1 3.7Å; F823-L827 HydrophobicContact CZ-CD2 3.98Å; F823-L827 HydrophobicContact CZ-CG 3.82Å; F823-L827 WeakPolarHBondContact O-CG 3.46Å; F823-L827 PolarHBondContact O-N 3.31Å; E824-L827 PolarHBondContact O-N 3.02Å; K825-L827 VanDerWaalsContact C-N 3.29Å; K825-L827 PolarHBondContact O-N 3.2Å; L827-E829 VanDerWaalsContact C-N 3.32Å; L827-E829 PolarHBondContact O-N 2.97Å; L827-A830 CarbonylContact O-C 3.5Å; L827-A830 PolarHBondContact O-N 3.38Å; L827-A830 VanDerWaalsContact O-N 3.14Å; L827-G831 PolarHBondContact O-N 3.47Å; L827-L832 CarbonylContact C-O 3.58Å; L827-L832 VanDerWaalsContact C-O 3.29Å; L827-L832 HydrophobicContact CD2-CB 4.18Å; L827-L832 HydrophobicContact CD2-CD1 4.32Å; L827-L832 PolarHBondContact O-N 3.23Å; L827-L832 VanDerWaalsContact O-O 3.04Å |
| 828 | T | 78.7 | Confident | 76.5 | Confident | 14 Ų | 14 | 33.9 Ų | 33.9 | 9% | 0.086 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.6 | -43 | 176.9 | 60 | 0 | 0 | 0 | 0 | 111.6 | Y754 E824 K825 A830 G831 N1011 | Y754-T828 WeakPolarHBondContact CD1-O 3.11Å; Y754-T828 WeakPolarHBondContact CE1-O 3.48Å; E824-T828 WeakPolarHBondContact O-CG2 3.37Å; E824-T828 PolarHBondContact O-N 2.94Å; K825-T828 PolarHBondContact O-N 3.48Å; K825-T828 VanDerWaalsContact O-N 3.08Å; K825-T828 PolarHBondContact O-OG1 3.5Å; T828-A830 PolarHBondContact O-N 3.03Å; T828-G831 PolarHBondContact O-N 3.12Å; T828-N1011 WeakPolarHBondContact CG2-ND2 3.16Å |
| 829 | E | 80.4 | Confident | 78.5 | Confident | 90 Ų | 90 | 28 Ų | 28 | 42% | 0.421 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -63.6 | -30.6 | 176.7 | -71 | -177.2 | -174.1 | 0 | 0 | 112.2 | K825 D826 L827 G831 | K825-E829 WeakPolarHBondContact CE-OE1 3.42Å; K825-E829 WeakPolarHBondContact O-CG 3.5Å; K825-E829 PolarHBondContact O-N 3.23Å; D826-E829 PolarHBondContact O-N 3.35Å; L827-E829 VanDerWaalsContact C-N 3.32Å; L827-E829 PolarHBondContact O-N 2.97Å; E829-G831 PolarHBondContact O-N 3.14Å |
| 830 | A | 83.2 | Confident | 80.1 | Confident | 8 Ų | 8 | 24.7 Ų | 24.7 | 7% | 0.066 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -0.2 | 172 | 0 | 0 | 0 | 0 | 0 | 114.4 | H806 K810 D826 L827 T828 L832 | H806-A830 PolarHBondContact NE2-O 3.3Å; K810-A830 HydrophobicContact CD-CB 3.86Å; K810-A830 HydrophobicContact CG-CB 3.98Å; D826-A830 WeakPolarHBondContact O-CB 3.37Å; D826-A830 PolarHBondContact O-N 3.46Å; L827-A830 CarbonylContact O-C 3.5Å; L827-A830 PolarHBondContact O-N 3.38Å; L827-A830 VanDerWaalsContact O-N 3.14Å; T828-A830 PolarHBondContact O-N 3.03Å; A830-L832 VanDerWaalsContact C-N 3.32Å; A830-L832 HydrophobicContact CB-CD1 4.33Å; A830-L832 HydrophobicContact CB-CG 4.4Å |
| 831 | G | 84.6 | Confident | 81.4 | Confident | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.01 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.4 | 21.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y737 F741 T757 L827 T828 E829 | Y737-G831 WeakPolarHBondContact CE2-O 3.38Å; Y737-G831 PolarHBondContact OH-O 3.29Å; F741-G831 VanDerWaalsContact CE1-CA 3.4Å; T757-G831 WeakPolarHBondContact CG2-O 3.14Å; T757-G831 VanDerWaalsContact OG1-C 3.31Å; T757-G831 PolarHBondContact OG1-O 3.42Å; L827-G831 PolarHBondContact O-N 3.47Å; T828-G831 PolarHBondContact O-N 3.12Å; E829-G831 PolarHBondContact O-N 3.14Å |
| 832 | L | 87.1 | Confident | 82.6 | Confident | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.005 | 10% | 0.096 | C | C | . | . | trans | -113.4 | 146.1 | -176 | -65.9 | 176 | 0 | 0 | 0 | 111.1 | I807 K810 L827 A830 L836 | I807-L832 HydrophobicContact CG1-CD1 4.09Å; I807-L832 HydrophobicContact CG1-CD2 3.76Å; K810-L832 HydrophobicContact CB-CD1 4.01Å; K810-L832 HydrophobicContact CG-CD1 4.24Å; L827-L832 CarbonylContact C-O 3.58Å; L827-L832 VanDerWaalsContact C-O 3.29Å; L827-L832 HydrophobicContact CD2-CB 4.18Å; L827-L832 HydrophobicContact CD2-CD1 4.32Å; L827-L832 PolarHBondContact O-N 3.23Å; L827-L832 VanDerWaalsContact O-O 3.04Å; A830-L832 VanDerWaalsContact C-N 3.32Å; A830-L832 HydrophobicContact CB-CD1 4.33Å; A830-L832 HydrophobicContact CB-CG 4.4Å; L832-L836 HydrophobicContact CD2-CD2 4.06Å | ||
| 833 | N | 84.3 | Confident | 83.8 | Confident | 8 Ų | 8 | 16.9 Ų | 16.9 | 4% | 0.043 | 8% | 0.084 | C | C | . | . | trans | -143.2 | 166.4 | 169.6 | 66.2 | 6.4 | 0 | 0 | 0 | 110.9 | T757 S835 L836 M837 M1010 N1011 | T757-N833 HydrophobicContact CG2-CB 4.24Å; N833-S835 PolarHBondContact ND2-OG 2.83Å; N833-S835 VanDerWaalsContact ND2-OG 3.13Å; N833-S835 PolarHBondContact O-N 2.95Å; N833-S835 PolarHBondContact OD1-OG 3.15Å; N833-L836 PolarHBondContact O-N 2.84Å; N833-L836 WeakPolarHBondContact OD1-CA 3.47Å; N833-L836 WeakPolarHBondContact OD1-CB 3.49Å; N833-L836 PolarHBondContact OD1-N 3.03Å; N833-M837 WeakPolarHBondContact O-CG 3.35Å; N833-M837 PolarHBondContact O-N 3.21Å; N833-M837 VanDerWaalsContact O-N 3.11Å; N833-M1010 PolarHBondContact ND2-SD 3.4Å; N833-N1011 WeakPolarHBondContact CA-OD1 3.1Å; N833-N1011 WeakPolarHBondContact CB-OD1 3.37Å | ||
| 834 | T | 85.3 | Confident | 84.7 | Confident | 5 Ų | 5 | 16.5 Ų | 16.5 | 3% | 0.031 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -60.8 | -33.5 | -177.4 | 58.8 | 0 | 0 | 0 | 0 | 112.5 | A838 R1013 Y1014 L1017 | T834-A838 VanDerWaalsContact O-CB 3.26Å; T834-A838 WeakPolarHBondContact O-CB 3.49Å; T834-A838 PolarHBondContact O-N 2.84Å; T834-R1013 PolarHBondContact OG1-O 3.26Å; T834-Y1014 HydrophobicContact CG2-CD1 4.28Å; T834-L1017 HydrophobicContact CG2-CD1 3.93Å; T834-L1017 HydrophobicContact CG2-CG 4.46Å |
| 835 | S | 85.3 | Confident | 85.4 | Confident | 6 Ų | 6 | 15.7 Ų | 15.7 | 4% | 0.042 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -71.7 | -44.5 | 178.9 | 60.2 | 0 | 0 | 0 | 0 | 113.3 | N833 A838 V839 | N833-S835 PolarHBondContact ND2-OG 2.83Å; N833-S835 VanDerWaalsContact ND2-OG 3.13Å; N833-S835 PolarHBondContact O-N 2.95Å; N833-S835 PolarHBondContact OD1-OG 3.15Å; S835-A838 PolarHBondContact O-N 2.92Å; S835-V839 WeakPolarHBondContact O-CG2 3.4Å; S835-V839 PolarHBondContact O-N 2.96Å |
| 836 | L | 89.6 | Confident | 86 | Confident | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -60.6 | -47.9 | 175 | 180 | 63.5 | 0 | 0 | 0 | 110 | Y737 T757 T761 I764 L803 L832 N833 A838 V839 V840 | Y737-L836 HydrophobicContact CE2-CD2 4.49Å; T757-L836 HydrophobicContact CG2-CB 4.12Å; T757-L836 HydrophobicContact CG2-CD2 3.83Å; T761-L836 WeakPolarHBondContact OG1-CA 3.41Å; T761-L836 VanDerWaalsContact OG1-CB 3.3Å; T761-L836 WeakPolarHBondContact OG1-CB 3.26Å; T761-L836 WeakPolarHBondContact OG1-CD1 3.3Å; I764-L836 HydrophobicContact CD1-CD1 4.3Å; L803-L836 HydrophobicContact CD1-CD1 4.4Å; L803-L836 HydrophobicContact CD2-CD2 4.4Å; L832-L836 HydrophobicContact CD2-CD2 4.06Å; N833-L836 PolarHBondContact O-N 2.84Å; N833-L836 WeakPolarHBondContact OD1-CA 3.47Å; N833-L836 WeakPolarHBondContact OD1-CB 3.49Å; N833-L836 PolarHBondContact OD1-N 3.03Å; L836-A838 VanDerWaalsContact C-N 3.34Å; L836-A838 PolarHBondContact O-N 3.06Å; L836-V839 PolarHBondContact O-N 3.02Å; L836-V840 HydrophobicContact CD1-CG2 3.75Å; L836-V840 HydrophobicContact CG-CG2 4.05Å; L836-V840 VanDerWaalsContact O-CB 3.32Å; L836-V840 WeakPolarHBondContact O-CB 3.48Å; L836-V840 WeakPolarHBondContact O-CG2 3.46Å; L836-V840 PolarHBondContact O-N 3.17Å |
| 837 | M | 89.7 | Confident | 86.6 | Confident | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -56.5 | -48.9 | 177.2 | -69.6 | 172.8 | 64.4 | 0 | 0 | 111.2 | I807 L811 N833 V839 V840 I841 F882 L1017 | I807-M837 HydrophobicContact CD1-CB 4.37Å; I807-M837 HydrophobicContact CD1-CG 3.88Å; I807-M837 HydrophobicContact CG1-CG 4.11Å; I807-M837 HydrophobicContact CG2-CE 4Å; I807-M837 HydrophobicContact CG2-CG 4.45Å; L811-M837 HydrophobicContact CD1-CE 3.98Å; N833-M837 WeakPolarHBondContact O-CG 3.35Å; N833-M837 PolarHBondContact O-N 3.21Å; N833-M837 VanDerWaalsContact O-N 3.11Å; M837-V839 PolarHBondContact O-N 3.06Å; M837-V840 PolarHBondContact O-N 3.28Å; M837-I841 WeakPolarHBondContact O-CD1 3.32Å; M837-I841 WeakPolarHBondContact O-CG1 3.46Å; M837-I841 PolarHBondContact O-N 3.15Å; M837-I841 VanDerWaalsContact O-N 3.11Å; M837-F882 HydrophobicContact CE-CE1 3.95Å; M837-F882 HydrophobicContact CE-CZ 4.42Å; M837-L1017 HydrophobicContact CB-CD2 3.76Å; M837-L1017 HydrophobicContact CE-CD2 4.32Å |
| 838 | A | 88.8 | Confident | 86.9 | Confident | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -60.5 | -45.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | P484 T834 S835 L836 T842 P1016 L1017 A1020 | P484-A838 HydrophobicContact CB-CB 3.76Å; P484-A838 HydrophobicContact CG-CB 3.5Å; P484-A838 VanDerWaalsContact CG-CB 3.5Å; T834-A838 VanDerWaalsContact O-CB 3.26Å; T834-A838 WeakPolarHBondContact O-CB 3.49Å; T834-A838 PolarHBondContact O-N 2.84Å; S835-A838 PolarHBondContact O-N 2.92Å; L836-A838 VanDerWaalsContact C-N 3.34Å; L836-A838 PolarHBondContact O-N 3.06Å; A838-T842 WeakPolarHBondContact O-CB 3.31Å; A838-T842 WeakPolarHBondContact O-CG2 3.36Å; A838-T842 PolarHBondContact O-N 3.13Å; A838-T842 PolarHBondContact O-OG1 3.4Å; A838-P1016 HydrophobicContact CB-CB 4.28Å; A838-P1016 WeakPolarHBondContact CB-O 3.43Å; A838-L1017 HydrophobicContact CB-CD2 4.25Å; A838-A1020 HydrophobicContact CB-CB 3.73Å |
| 839 | V | 89.3 | Confident | 87.2 | Confident | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -65.3 | -49.2 | 177.6 | 170.3 | 0 | 0 | 0 | 0 | 110.8 | W483 P484 T761 I764 H765 S835 L836 M837 I841 T842 S843 | W483-V839 HydrophobicContact CB-CG2 3.5Å; W483-V839 VanDerWaalsContact CB-CG2 3.5Å; W483-V839 HydrophobicContact CG-CG2 4.43Å; P484-V839 HydrophobicContact CG-CG2 4.18Å; T761-V839 HydrophobicContact CG2-CB 4.01Å; T761-V839 HydrophobicContact CG2-CG1 4.46Å; T761-V839 HydrophobicContact CG2-CG2 3.63Å; I764-V839 HydrophobicContact CB-CG1 4.22Å; I764-V839 HydrophobicContact CG2-CG1 3.87Å; H765-V839 HydrophobicContact CB-CG1 3.93Å; H765-V839 HydrophobicContact CB-CG2 4.5Å; S835-V839 WeakPolarHBondContact O-CG2 3.4Å; S835-V839 PolarHBondContact O-N 2.96Å; L836-V839 PolarHBondContact O-N 3.02Å; M837-V839 PolarHBondContact O-N 3.06Å; V839-I841 VanDerWaalsContact C-N 3.33Å; V839-I841 PolarHBondContact O-N 3.45Å; V839-T842 PolarHBondContact O-N 3.05Å; V839-T842 PolarHBondContact O-OG1 2.83Å; V839-T842 VanDerWaalsContact O-OG1 3.05Å; V839-S843 WeakPolarHBondContact O-CA 3.5Å; V839-S843 WeakPolarHBondContact O-CB 3.5Å; V839-S843 PolarHBondContact O-N 3.48Å; V839-S843 PolarHBondContact O-OG 3.31Å |
| 840 | V | 91.6 | Very high | 87.4 | Confident | 0 Ų | 0 | 7.6 Ų | 7.6 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -56.4 | -46.9 | -177.9 | 166.8 | 0 | 0 | 0 | 0 | 111.4 | I764 C800 L803 E804 I807 L836 M837 S843 S844 | I764-V840 HydrophobicContact CD1-CG2 4.23Å; C800-V840 HydrophobicContact CB-CG1 4.15Å; L803-V840 HydrophobicContact CB-CG1 3.91Å; L803-V840 HydrophobicContact CB-CG2 4.04Å; L803-V840 HydrophobicContact CD1-CG2 3.58Å; L803-V840 HydrophobicContact CG-CG2 4.42Å; E804-V840 HydrophobicContact CG-CG1 3.74Å; I807-V840 HydrophobicContact CD1-CG1 4.32Å; L836-V840 HydrophobicContact CD1-CG2 3.75Å; L836-V840 HydrophobicContact CG-CG2 4.05Å; L836-V840 VanDerWaalsContact O-CB 3.32Å; L836-V840 WeakPolarHBondContact O-CB 3.48Å; L836-V840 WeakPolarHBondContact O-CG2 3.46Å; L836-V840 PolarHBondContact O-N 3.17Å; M837-V840 PolarHBondContact O-N 3.28Å; V840-S843 VanDerWaalsContact C-OG 3.28Å; V840-S843 WeakPolarHBondContact CA-OG 3.5Å; V840-S843 PolarHBondContact O-OG 3.32Å; V840-S844 PolarHBondContact O-N 3.16Å; V840-S844 PolarHBondContact O-OG 3.44Å |
| 841 | I | 88 | Confident | 87.5 | Confident | 1 Ų | 1 | 7.8 Ų | 7.8 | 1% | 0.005 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -69.8 | -39.7 | -177.5 | -58.5 | 166.6 | 0 | 0 | 0 | 111.3 | M837 V839 S844 L874 F878 W883 I1024 | M837-I841 WeakPolarHBondContact O-CD1 3.32Å; M837-I841 WeakPolarHBondContact O-CG1 3.46Å; M837-I841 PolarHBondContact O-N 3.15Å; M837-I841 VanDerWaalsContact O-N 3.11Å; V839-I841 VanDerWaalsContact C-N 3.33Å; V839-I841 PolarHBondContact O-N 3.45Å; I841-S844 PolarHBondContact O-OG 2.94Å; I841-L874 HydrophobicContact CG2-CD2 3.76Å; I841-F878 HydrophobicContact CG2-CE2 4.38Å; I841-F878 HydrophobicContact CG2-CZ 3.83Å; I841-W883 HydrophobicContact CD1-CH2 3.84Å; I841-W883 HydrophobicContact CD1-CZ2 3.88Å; I841-I1024 HydrophobicContact CB-CD1 4.06Å; I841-I1024 HydrophobicContact CG2-CD1 3.17Å; I841-I1024 HydrophobicContact CG2-CG1 4.2Å |
| 842 | T | 87.4 | Confident | 87.3 | Confident | 16 Ų | 16 | 8.7 Ų | 8.7 | 10% | 0.098 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -74.3 | -35.4 | 178.1 | 52.2 | 0 | 0 | 0 | 0 | 112.6 | A838 V839 K846 A1020 N1023 I1024 | A838-T842 WeakPolarHBondContact O-CB 3.31Å; A838-T842 WeakPolarHBondContact O-CG2 3.36Å; A838-T842 PolarHBondContact O-N 3.13Å; A838-T842 PolarHBondContact O-OG1 3.4Å; V839-T842 PolarHBondContact O-N 3.05Å; V839-T842 PolarHBondContact O-OG1 2.83Å; V839-T842 VanDerWaalsContact O-OG1 3.05Å; T842-K846 WeakPolarHBondContact O-CG 3.45Å; T842-K846 PolarHBondContact O-N 3.28Å; T842-A1020 HydrophobicContact CG2-CB 3.8Å; T842-N1023 HydrophobicContact CG2-CB 4.24Å; T842-I1024 HydrophobicContact CG2-CD1 4.32Å; T842-I1024 HydrophobicContact CG2-CG1 4.12Å |
| 843 | S | 89.8 | Confident | 87 | Confident | 3 Ų | 3 | 14.8 Ų | 14.8 | 2% | 0.021 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -68.8 | -40.1 | 179.6 | 48.2 | 0 | 0 | 0 | 0 | 113 | C800 V839 V840 L845 K846 C847 | C800-S843 PolarHBondContact SG-OG 3.42Å; V839-S843 WeakPolarHBondContact O-CA 3.5Å; V839-S843 WeakPolarHBondContact O-CB 3.5Å; V839-S843 PolarHBondContact O-N 3.48Å; V839-S843 PolarHBondContact O-OG 3.31Å; V840-S843 VanDerWaalsContact C-OG 3.28Å; V840-S843 WeakPolarHBondContact CA-OG 3.5Å; V840-S843 PolarHBondContact O-OG 3.32Å; S843-L845 VanDerWaalsContact C-N 3.28Å; S843-L845 PolarHBondContact O-N 2.96Å; S843-K846 WeakPolarHBondContact O-CB 3.45Å; S843-K846 PolarHBondContact O-N 3.46Å; S843-K846 VanDerWaalsContact O-N 3.12Å; S843-C847 PolarHBondContact O-N 3.33Å; S843-C847 PolarHBondContact O-SG 3.12Å; S843-C847 VanDerWaalsContact O-SG 3.33Å |
| 844 | S | 91.1 | Very high | 86.6 | Confident | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -60.1 | -40.2 | -179.6 | 62.6 | 0 | 0 | 0 | 0 | 111.7 | E804 V840 I841 C847 I848 H869 | E804-S844 WeakPolarHBondContact OE1-CB 3.35Å; E804-S844 PolarHBondContact OE1-OG 2.87Å; V840-S844 PolarHBondContact O-N 3.16Å; V840-S844 PolarHBondContact O-OG 3.44Å; I841-S844 PolarHBondContact O-OG 2.94Å; S844-C847 PolarHBondContact O-N 3.38Å; S844-I848 WeakPolarHBondContact O-CG1 3.27Å; S844-I848 PolarHBondContact O-N 3.2Å; S844-H869 WeakPolarHBondContact CB-NE2 3.42Å; S844-H869 PolarHBondContact OG-NE2 3.44Å; S844-H869 VanDerWaalsContact OG-NE2 3.1Å |
| 845 | L | 87 | Confident | 86.1 | Confident | 4 Ų | 4 | 18 Ų | 18 | 2% | 0.021 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -64.7 | -45.3 | 172.8 | -65.7 | 177.7 | 0 | 0 | 0 | 112.6 | S843 C847 I848 Q849 L866 L874 I1024 I1028 F1032 | S843-L845 VanDerWaalsContact C-N 3.28Å; S843-L845 PolarHBondContact O-N 2.96Å; L845-C847 VanDerWaalsContact C-N 3.32Å; L845-C847 PolarHBondContact O-N 3.1Å; L845-I848 PolarHBondContact O-N 3.36Å; L845-Q849 WeakPolarHBondContact O-CG 3.27Å; L845-Q849 PolarHBondContact O-N 3.48Å; L845-L866 HydrophobicContact CD2-CD1 3.74Å; L845-L874 HydrophobicContact CD2-CD1 3.83Å; L845-L874 HydrophobicContact CG-CD1 4.2Å; L845-I1024 HydrophobicContact CD1-CB 4.32Å; L845-I1024 HydrophobicContact CD1-CG1 3.98Å; L845-I1024 HydrophobicContact CD1-CG2 3.98Å; L845-I1028 HydrophobicContact CD1-CD1 4.48Å; L845-I1028 HydrophobicContact CD1-CG1 4.43Å; L845-F1032 HydrophobicContact CD2-CE2 4.44Å |
| 846 | K | 87.7 | Confident | 84.9 | Confident | 63 Ų | 63 | 22 Ų | 22 | 27% | 0.274 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -60.7 | -38.7 | 176.8 | -77.9 | -175.1 | 177.1 | -172.3 | 0 | 112.4 | I768 F772 T842 S843 Q849 L850 | I768-K846 HydrophobicContact CG2-CB 3.89Å; I768-K846 HydrophobicContact CG2-CD 4.07Å; F772-K846 HydrophobicContact CE2-CB 3.95Å; F772-K846 HydrophobicContact CE2-CG 4.45Å; F772-K846 HydrophobicContact CZ-CB 4.36Å; T842-K846 WeakPolarHBondContact O-CG 3.45Å; T842-K846 PolarHBondContact O-N 3.28Å; S843-K846 WeakPolarHBondContact O-CB 3.45Å; S843-K846 PolarHBondContact O-N 3.46Å; S843-K846 VanDerWaalsContact O-N 3.12Å; K846-Q849 WeakPolarHBondContact O-CB 2.73Å; K846-Q849 PolarHBondContact O-N 3.17Å; K846-L850 WeakPolarHBondContact O-CB 3.12Å; K846-L850 PolarHBondContact O-N 3.31Å |
| 847 | C | 90.3 | Very high | 83.1 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.6 | -46.3 | 174.7 | -73.7 | 0 | 0 | 0 | 0 | 111.6 | I793 L797 S843 S844 L845 Q849 L850 L851 | I793-C847 HydrophobicContact CG2-CB 3.84Å; L797-C847 HydrophobicContact CB-CB 4.06Å; L797-C847 HydrophobicContact CD1-CB 4.05Å; L797-C847 HydrophobicContact CG-CB 4.49Å; S843-C847 PolarHBondContact O-N 3.33Å; S843-C847 PolarHBondContact O-SG 3.12Å; S843-C847 VanDerWaalsContact O-SG 3.33Å; S844-C847 PolarHBondContact O-N 3.38Å; L845-C847 VanDerWaalsContact C-N 3.32Å; L845-C847 PolarHBondContact O-N 3.1Å; C847-Q849 VanDerWaalsContact C-N 3.34Å; C847-Q849 PolarHBondContact O-N 2.88Å; C847-L850 PolarHBondContact O-N 3.18Å; C847-L851 WeakPolarHBondContact O-CG 3.07Å; C847-L851 PolarHBondContact O-N 2.88Å |
| 848 | I | 85.9 | Confident | 81.2 | Confident | 5 Ų | 5 | 35.7 Ų | 35.7 | 3% | 0.026 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.1 | -40.5 | 178.9 | -61.5 | 165.1 | 0 | 0 | 0 | 110.8 | L797 S844 L845 L850 L851 S852 F862 Q865 L866 H869 | L797-I848 HydrophobicContact CD1-CG1 4.19Å; L797-I848 HydrophobicContact CD2-CG1 4.24Å; S844-I848 WeakPolarHBondContact O-CG1 3.27Å; S844-I848 PolarHBondContact O-N 3.2Å; L845-I848 PolarHBondContact O-N 3.36Å; I848-L850 PolarHBondContact O-N 3.46Å; I848-L851 PolarHBondContact O-N 2.77Å; I848-S852 PolarHBondContact O-N 3.36Å; I848-F862 HydrophobicContact CG2-CD2 3.91Å; I848-F862 HydrophobicContact CG2-CE2 3.76Å; I848-Q865 HydrophobicContact CG2-CB 4.38Å; I848-L866 HydrophobicContact CG2-CB 4.33Å; I848-H869 HydrophobicContact CD1-CB 3.51Å |
| 849 | Q | 84.1 | Confident | 79.5 | Confident | 38 Ų | 38 | 41.8 Ų | 41.8 | 18% | 0.178 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.4 | -45.5 | 173.7 | -70.5 | 173 | -6.4 | 0 | 0 | 111.9 | L845 K846 C847 S852 R853 F862 F1032 | L845-Q849 WeakPolarHBondContact O-CG 3.27Å; L845-Q849 PolarHBondContact O-N 3.48Å; K846-Q849 WeakPolarHBondContact O-CB 2.73Å; K846-Q849 PolarHBondContact O-N 3.17Å; C847-Q849 VanDerWaalsContact C-N 3.34Å; C847-Q849 PolarHBondContact O-N 2.88Å; Q849-S852 WeakPolarHBondContact O-CB 3.28Å; Q849-S852 PolarHBondContact O-N 3.28Å; Q849-R853 PolarHBondContact O-N 3.47Å; Q849-R853 VanDerWaalsContact O-N 3.14Å; Q849-F862 HydrophobicContact CG-CE2 4.4Å; Q849-F862 HydrophobicContact CG-CZ 4.38Å; Q849-F1032 HydrophobicContact CG-CE1 4.14Å; Q849-F1032 HydrophobicContact CG-CZ 4.01Å; Q849-F1032 VanDerWaalsContact NE2-CZ 3.26Å |
| 850 | L | 85.1 | Confident | 77.8 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -68.4 | -41.4 | -179.3 | -161.6 | 151 | 0 | 0 | 0 | 111.8 | F772 M775 I789 I793 K846 C847 I848 S852 R853 I854 | F772-L850 HydrophobicContact CB-CD1 4.35Å; F772-L850 HydrophobicContact CD1-CD1 4.14Å; F772-L850 HydrophobicContact CD2-CD1 3.55Å; F772-L850 HydrophobicContact CE1-CB 4.48Å; F772-L850 HydrophobicContact CE1-CD1 4.29Å; F772-L850 HydrophobicContact CE2-CB 4.08Å; F772-L850 HydrophobicContact CE2-CD1 3.69Å; F772-L850 HydrophobicContact CE2-CG 4.44Å; F772-L850 HydrophobicContact CG-CD1 3.76Å; F772-L850 HydrophobicContact CZ-CB 3.93Å; F772-L850 HydrophobicContact CZ-CD1 4.08Å; F772-L850 HydrophobicContact CZ-CG 4.43Å; M775-L850 HydrophobicContact CG-CD1 4.48Å; M775-L850 HydrophobicContact CG-CD2 4.13Å; M775-L850 HydrophobicContact CG-CG 4.46Å; I789-L850 HydrophobicContact CG2-CD2 4.06Å; I793-L850 HydrophobicContact CD1-CD1 4.36Å; I793-L850 HydrophobicContact CD1-CD2 4.46Å; I793-L850 HydrophobicContact CG1-CD2 3.91Å; K846-L850 WeakPolarHBondContact O-CB 3.12Å; K846-L850 PolarHBondContact O-N 3.31Å; C847-L850 PolarHBondContact O-N 3.18Å; I848-L850 PolarHBondContact O-N 3.46Å; L850-S852 VanDerWaalsContact C-N 3.26Å; L850-S852 PolarHBondContact O-N 2.7Å; L850-R853 WeakPolarHBondContact O-CB 2.96Å; L850-R853 PolarHBondContact O-N 3.1Å; L850-I854 HydrophobicContact CD2-CD1 3.35Å; L850-I854 HydrophobicContact CD2-CG1 3.9Å; L850-I854 WeakPolarHBondContact O-CG1 3.27Å; L850-I854 PolarHBondContact O-N 3.12Å |
| 851 | L | 85.9 | Confident | 76.7 | Confident | 11 Ų | 11 | 48.8 Ų | 48.8 | 6% | 0.058 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.8 | -36.8 | 173.7 | -72.6 | 171 | 0 | 0 | 0 | 112 | Q790 I793 E794 L797 C847 I848 R853 I854 N855 | Q790-L851 HydrophobicContact CG-CD2 4.25Å; I793-L851 HydrophobicContact CB-CD2 4.27Å; I793-L851 HydrophobicContact CG2-CD1 4.07Å; I793-L851 HydrophobicContact CG2-CD2 3.81Å; I793-L851 HydrophobicContact CG2-CG 3.59Å; E794-L851 HydrophobicContact CG-CD2 3.96Å; L797-L851 HydrophobicContact CD2-CD1 3.76Å; C847-L851 WeakPolarHBondContact O-CG 3.07Å; C847-L851 PolarHBondContact O-N 2.88Å; I848-L851 PolarHBondContact O-N 2.77Å; L851-R853 VanDerWaalsContact C-N 3.34Å; L851-I854 PolarHBondContact O-N 3.2Å; L851-N855 VanDerWaalsContact O-CB 3.31Å; L851-N855 WeakPolarHBondContact O-CB 3.16Å; L851-N855 PolarHBondContact O-N 3.35Å; L851-N855 PolarHBondContact O-ND2 3.4Å |
| 852 | S | 80.8 | Confident | 76 | Confident | 21 Ų | 21 | 50.6 Ų | 50.6 | 15% | 0.147 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.1 | -39 | 173.4 | -172 | 0 | 0 | 0 | 0 | 112.7 | I848 Q849 L850 N855 F862 | I848-S852 PolarHBondContact O-N 3.36Å; Q849-S852 WeakPolarHBondContact O-CB 3.28Å; Q849-S852 PolarHBondContact O-N 3.28Å; L850-S852 VanDerWaalsContact C-N 3.26Å; L850-S852 PolarHBondContact O-N 2.7Å; S852-N855 CarbonylContact O-C 3.5Å; S852-F862 VanDerWaalsContact OG-CB 3.31Å; S852-F862 WeakPolarHBondContact OG-CB 3.21Å; S852-F862 WeakPolarHBondContact OG-CG 2.83Å |
| 853 | R | 79.6 | Confident | 75.2 | Confident | 128 Ų | 128 | 54 Ų | 54 | 48% | 0.483 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -69 | -37.3 | 179.5 | -172.2 | 172.2 | 176.3 | 171.2 | -3.3 | 111.5 | E776 Q849 L850 L851 | E776-R853 IonicContact OE1-NH1 2.68Å; Q849-R853 PolarHBondContact O-N 3.47Å; Q849-R853 VanDerWaalsContact O-N 3.14Å; L850-R853 WeakPolarHBondContact O-CB 2.96Å; L850-R853 PolarHBondContact O-N 3.1Å; L851-R853 VanDerWaalsContact C-N 3.34Å |
| 854 | I | 77.5 | Confident | 74.5 | Confident | 26 Ų | 26 | 60.5 Ų | 60.5 | 13% | 0.133 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -68.2 | -48.5 | 174.5 | -64.9 | 173 | 0 | 0 | 0 | 110.5 | M775 I789 Q790 L850 L851 S856 | M775-I854 HydrophobicContact CE-CG1 3.69Å; M775-I854 HydrophobicContact SD-CD1 4.24Å; M775-I854 HydrophobicContact SD-CG1 3.89Å; I789-I854 HydrophobicContact CG2-CD1 4.02Å; Q790-I854 HydrophobicContact CB-CD1 4.23Å; L850-I854 HydrophobicContact CD2-CD1 3.35Å; L850-I854 HydrophobicContact CD2-CG1 3.9Å; L850-I854 WeakPolarHBondContact O-CG1 3.27Å; L850-I854 PolarHBondContact O-N 3.12Å; L851-I854 PolarHBondContact O-N 3.2Å; I854-S856 PolarHBondContact O-N 3.22Å |
| 855 | N | 74 | Confident | 73.8 | Confident | 54 Ų | 54 | 64.1 Ų | 64.1 | 29% | 0.289 | 32% | 0.324 | S | S | . | . | trans | -83 | 55.9 | -178.5 | -66.1 | -41.2 | 0 | 0 | 0 | 111.8 | L851 S852 Q857 L858 | L851-N855 VanDerWaalsContact O-CB 3.31Å; L851-N855 WeakPolarHBondContact O-CB 3.16Å; L851-N855 PolarHBondContact O-N 3.35Å; L851-N855 PolarHBondContact O-ND2 3.4Å; S852-N855 CarbonylContact O-C 3.5Å; N855-Q857 PolarHBondContact O-N 3.48Å; N855-L858 PolarHBondContact O-N 3.04Å | ||
| 856 | S | 60.3 | Low | 73.4 | Confident | 92 Ų | 92 | 64.1 Ų | 64.1 | 64% | 0.643 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -18.9 | -177.7 | 54.8 | 0 | 0 | 0 | 0 | 114.9 | I854 L858 | I854-S856 PolarHBondContact O-N 3.22Å; S856-L858 PolarHBondContact O-N 2.84Å |
| 857 | Q | 51 | Low | 72.8 | Confident | 187 Ų | 187 | 62.2 Ų | 62.2 | 87% | 0.874 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -8.1 | -178.8 | -67.5 | -156.4 | -16.9 | 0 | 0 | 115.5 | N855 | N855-Q857 PolarHBondContact O-N 3.48Š|
| 858 | L | 50.4 | Low | 72.3 | Confident | 100 Ų | 100 | 65.8 Ų | 65.8 | 52% | 0.524 | 34% | 0.337 | S | S | . | . | trans | -138.7 | 63.5 | -171.7 | -72.1 | 161.7 | 0 | 0 | 0 | 113 | N855 S856 T860 S861 | N855-L858 PolarHBondContact O-N 3.04Å; S856-L858 PolarHBondContact O-N 2.84Å; L858-T860 PolarHBondContact O-N 2.87Å; L858-S861 WeakPolarHBondContact CB-OG 2.78Å; L858-S861 PolarHBondContact O-N 3.14Å; L858-S861 PolarHBondContact O-OG 2.96Å | ||
| 859 | N | 53.3 | Low | 72.2 | Confident | 128 Ų | 128 | 66.2 Ų | 66.2 | 68% | 0.684 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -53.3 | -30.6 | 173.2 | -83.7 | -16.3 | 0 | 0 | 0 | 113.3 | S861 F862 | N859-S861 VanDerWaalsContact C-N 3.26Å; N859-S861 PolarHBondContact O-N 2.9Å; N859-F862 PolarHBondContact O-N 3.31Å |
| 860 | T | 54.1 | Low | 72 | Confident | 119 Ų | 119 | 64.9 Ų | 64.9 | 73% | 0.73 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -67 | -23.1 | 175.8 | 52.7 | 0 | 0 | 0 | 0 | 113.4 | L858 | L858-T860 PolarHBondContact O-N 2.87Å |
| 861 | S | 67.8 | Low | 71.7 | Confident | 27 Ų | 27 | 67.6 Ų | 67.6 | 19% | 0.189 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -77.8 | -31.2 | 177 | 68.6 | 0 | 0 | 0 | 0 | 112.5 | L858 N859 K864 Q865 | L858-S861 WeakPolarHBondContact CB-OG 2.78Å; L858-S861 PolarHBondContact O-N 3.14Å; L858-S861 PolarHBondContact O-OG 2.96Å; N859-S861 VanDerWaalsContact C-N 3.26Å; N859-S861 PolarHBondContact O-N 2.9Å; S861-K864 PolarHBondContact O-N 2.99Å; S861-Q865 WeakPolarHBondContact O-CB 3.49Å; S861-Q865 VanDerWaalsContact O-CG 3.26Å; S861-Q865 WeakPolarHBondContact O-CG 3.48Å; S861-Q865 PolarHBondContact O-N 3.19Å |
| 862 | F | 72.6 | Confident | 71.5 | Confident | 39 Ų | 39 | 72.5 Ų | 72.5 | 17% | 0.171 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -60 | -55.6 | -177.8 | 172.1 | -112.7 | 0 | 0 | 0 | 112.6 | I848 Q849 S852 N859 K864 Q865 L866 F1032 | I848-F862 HydrophobicContact CG2-CD2 3.91Å; I848-F862 HydrophobicContact CG2-CE2 3.76Å; Q849-F862 HydrophobicContact CG-CE2 4.4Å; Q849-F862 HydrophobicContact CG-CZ 4.38Å; S852-F862 VanDerWaalsContact OG-CB 3.31Å; S852-F862 WeakPolarHBondContact OG-CB 3.21Å; S852-F862 WeakPolarHBondContact OG-CG 2.83Å; N859-F862 PolarHBondContact O-N 3.31Å; F862-K864 VanDerWaalsContact C-N 3.25Å; F862-K864 PolarHBondContact O-N 3.34Å; F862-Q865 PolarHBondContact O-N 3.33Å; F862-L866 HydrophobicContact CE1-CD2 4.4Å; F862-L866 HydrophobicContact CZ-CD2 4.28Å; F862-L866 WeakPolarHBondContact O-CB 3.39Å; F862-L866 PolarHBondContact O-N 3.29Å; F862-F1032 HydrophobicContact CE1-CD1 4.02Å; F862-F1032 HydrophobicContact CE1-CE1 4.03Å; F862-F1032 AromaticContact CZ-CD1 3.93Å; F862-F1032 HydrophobicContact CZ-CD1 3.93Å; F862-F1032 AromaticContact CZ-CE1 3.47Å; F862-F1032 HydrophobicContact CZ-CE1 3.47Å; F862-F1032 VanDerWaalsContact CZ-CE1 3.47Å; F862-F1032 HydrophobicContact CZ-CZ 4.2Å |
| 863 | H | 71.2 | Confident | 71.7 | Confident | 87 Ų | 87 | 72.3 Ų | 72.3 | 40% | 0.403 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60.2 | -40.3 | -178.9 | -168.7 | 62.3 | 0 | 0 | 0 | 110.8 | L866 T867 | H863-L866 PolarHBondContact O-N 3.29Å; H863-T867 WeakPolarHBondContact O-CB 3.26Å; H863-T867 PolarHBondContact O-N 3.43Å; H863-T867 PolarHBondContact O-OG1 3.34Å |
| 864 | K | 75 | Confident | 71.8 | Confident | 140 Ų | 140 | 66.2 Ų | 66.2 | 61% | 0.609 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -64.4 | -45.1 | 176.2 | -171.4 | 178.6 | -179.1 | -179.1 | 0 | 112.7 | S861 F862 L866 N868 | S861-K864 PolarHBondContact O-N 2.99Å; F862-K864 VanDerWaalsContact C-N 3.25Å; F862-K864 PolarHBondContact O-N 3.34Å; K864-L866 VanDerWaalsContact C-N 3.34Å; K864-N868 VanDerWaalsContact O-CB 3.26Å; K864-N868 WeakPolarHBondContact O-CB 3.43Å; K864-N868 PolarHBondContact O-N 2.91Å; K864-N868 PolarHBondContact O-ND2 2.8Å; K864-N868 PolarHBondContact O-OD1 2.82Å |
| 865 | Q | 76.9 | Confident | 71.9 | Confident | 77 Ų | 77 | 65.5 Ų | 65.5 | 36% | 0.36 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.4 | -43.8 | 177.2 | -77.9 | 174.9 | -6.5 | 0 | 0 | 111.1 | I848 S861 F862 N868 H869 | I848-Q865 HydrophobicContact CG2-CB 4.38Å; S861-Q865 WeakPolarHBondContact O-CB 3.49Å; S861-Q865 VanDerWaalsContact O-CG 3.26Å; S861-Q865 WeakPolarHBondContact O-CG 3.48Å; S861-Q865 PolarHBondContact O-N 3.19Å; F862-Q865 PolarHBondContact O-N 3.33Å; Q865-N868 PolarHBondContact O-N 3.21Å; Q865-H869 WeakPolarHBondContact O-CB 3.39Å; Q865-H869 PolarHBondContact O-N 3.02Å |
| 866 | L | 78.1 | Confident | 72.3 | Confident | 4 Ų | 4 | 65.2 Ų | 65.2 | 2% | 0.021 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.1 | -50 | 177.2 | 179.4 | 71 | 0 | 0 | 0 | 112 | L845 I848 F862 H863 K864 N868 H869 W870 F1032 | L845-L866 HydrophobicContact CD2-CD1 3.74Å; I848-L866 HydrophobicContact CG2-CB 4.33Å; F862-L866 HydrophobicContact CE1-CD2 4.4Å; F862-L866 HydrophobicContact CZ-CD2 4.28Å; F862-L866 WeakPolarHBondContact O-CB 3.39Å; F862-L866 PolarHBondContact O-N 3.29Å; H863-L866 PolarHBondContact O-N 3.29Å; K864-L866 VanDerWaalsContact C-N 3.34Å; L866-N868 VanDerWaalsContact C-N 3.25Å; L866-N868 PolarHBondContact O-N 2.9Å; L866-H869 PolarHBondContact O-N 3.16Å; L866-W870 WeakPolarHBondContact O-CB 3.43Å; L866-W870 PolarHBondContact O-N 3.04Å; L866-F1032 HydrophobicContact CD1-CD2 4.09Å; L866-F1032 HydrophobicContact CD1-CE2 3.68Å; L866-F1032 HydrophobicContact CD1-CZ 4.04Å; L866-F1032 HydrophobicContact CD2-CB 3.88Å; L866-F1032 HydrophobicContact CD2-CD1 3.69Å; L866-F1032 HydrophobicContact CD2-CD2 3.31Å; L866-F1032 HydrophobicContact CD2-CE1 4.03Å; L866-F1032 HydrophobicContact CD2-CE2 3.69Å; L866-F1032 HydrophobicContact CD2-CG 3.34Å; L866-F1032 HydrophobicContact CD2-CZ 4.01Å; L866-F1032 HydrophobicContact CG-CD2 4.25Å; L866-F1032 HydrophobicContact CG-CE2 4.31Å |
| 867 | T | 75.1 | Confident | 73.4 | Confident | 22 Ų | 22 | 60.9 Ų | 60.9 | 14% | 0.135 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.6 | -39.6 | 176.8 | -59.4 | 0 | 0 | 0 | 0 | 110.9 | H863 N871 | H863-T867 WeakPolarHBondContact O-CB 3.26Å; H863-T867 PolarHBondContact O-N 3.43Å; H863-T867 PolarHBondContact O-OG1 3.34Å; T867-N871 WeakPolarHBondContact CG2-ND2 3.2Å; T867-N871 VanDerWaalsContact O-CB 3.28Å; T867-N871 WeakPolarHBondContact O-CB 3.21Å; T867-N871 VanDerWaalsContact O-CG 3.24Å; T867-N871 PolarHBondContact O-N 3.41Å; T867-N871 PolarHBondContact O-ND2 3.45Å |
| 868 | N | 80 | Confident | 74.9 | Confident | 76 Ų | 76 | 52.2 Ų | 52.2 | 41% | 0.406 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.9 | -46.5 | 174.7 | -73.3 | -12.9 | 0 | 0 | 0 | 111.9 | K864 Q865 L866 N871 N872 | K864-N868 VanDerWaalsContact O-CB 3.26Å; K864-N868 WeakPolarHBondContact O-CB 3.43Å; K864-N868 PolarHBondContact O-N 2.91Å; K864-N868 PolarHBondContact O-ND2 2.8Å; K864-N868 PolarHBondContact O-OD1 2.82Å; Q865-N868 PolarHBondContact O-N 3.21Å; L866-N868 VanDerWaalsContact C-N 3.25Å; L866-N868 PolarHBondContact O-N 2.9Å; N868-N871 PolarHBondContact O-N 2.82Å; N868-N872 WeakPolarHBondContact O-CB 3.41Å; N868-N872 PolarHBondContact O-N 3.16Å; N868-N872 PolarHBondContact O-ND2 2.9Å |
| 869 | H | 83.6 | Confident | 76.3 | Confident | 14 Ų | 14 | 52.9 Ų | 52.9 | 7% | 0.065 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.2 | -43.2 | 177.8 | -173.2 | 68.1 | 0 | 0 | 0 | 111.9 | E804 S844 I848 Q865 L866 S873 L874 | E804-H869 IonicContact OE1-CE1 3.55Å; E804-H869 IonicContact OE1-NE2 2.67Å; E804-H869 PolarHBondContact OE1-NE2 3.42Å; E804-H869 IonicContact OE2-CE1 3.32Å; E804-H869 PolarHBondContact OE2-CE1 2.89Å; E804-H869 IonicContact OE2-NE2 2.86Å; E804-H869 PolarHBondContact OE2-NE2 3.1Å; S844-H869 WeakPolarHBondContact CB-NE2 3.42Å; S844-H869 PolarHBondContact OG-NE2 3.44Å; S844-H869 VanDerWaalsContact OG-NE2 3.1Å; I848-H869 HydrophobicContact CD1-CB 3.51Å; Q865-H869 WeakPolarHBondContact O-CB 3.39Å; Q865-H869 PolarHBondContact O-N 3.02Å; L866-H869 PolarHBondContact O-N 3.16Å; H869-S873 PolarHBondContact ND1-OG 3.05Å; H869-S873 WeakPolarHBondContact O-CB 3.37Å; H869-S873 PolarHBondContact O-N 3.24Å; H869-L874 PolarHBondContact O-N 3.17Å |
| 870 | W | 80.4 | Confident | 77.7 | Confident | 10 Ų | 10 | 47.4 Ų | 47.4 | 4% | 0.038 | 25% | 0.245 | C | C | . | . | I | π-helix | trans | -58.5 | -50.4 | 175.2 | 179.9 | -102.9 | 0 | 0 | 0 | 111.3 | L866 L874 T875 F878 I1028 P1044 I1045 | L866-W870 WeakPolarHBondContact O-CB 3.43Å; L866-W870 PolarHBondContact O-N 3.04Å; W870-L874 HydrophobicContact CE3-CB 3.82Å; W870-L874 HydrophobicContact CE3-CD1 3.74Å; W870-L874 HydrophobicContact CE3-CG 4.44Å; W870-L874 HydrophobicContact CZ3-CB 4.09Å; W870-L874 HydrophobicContact CZ3-CD1 4.1Å; W870-T875 PolarHBondContact NE1-OG1 3.34Å; W870-T875 WeakPolarHBondContact O-CB 3.46Å; W870-T875 PolarHBondContact O-N 2.65Å; W870-T875 PolarHBondContact O-OG1 2.81Å; W870-F878 AromaticContact CH2-CD2 3.85Å; W870-F878 HydrophobicContact CH2-CD2 3.85Å; W870-F878 HydrophobicContact CH2-CE2 4.03Å; W870-F878 AromaticContact CZ3-CD2 3.98Å; W870-F878 HydrophobicContact CZ3-CD2 3.98Å; W870-F878 AromaticContact CZ3-CE2 3.79Å; W870-F878 HydrophobicContact CZ3-CE2 3.79Å; W870-I1028 HydrophobicContact CD2-CD1 4.48Å; W870-I1028 HydrophobicContact CE3-CD1 3.58Å; W870-I1028 HydrophobicContact CH2-CD1 3.8Å; W870-I1028 HydrophobicContact CZ3-CD1 3.18Å; W870-P1044 HydrophobicContact CZ2-CB 4.5Å; W870-P1044 HydrophobicContact CZ2-CG 4.01Å; W870-I1045 HydrophobicContact CH2-CG1 4.24Å; W870-I1045 HydrophobicContact CZ2-CD1 4.1Å; W870-I1045 HydrophobicContact CZ2-CG1 3.6Å |
| 871 | N | 78.7 | Confident | 78.8 | Confident | 58 Ų | 58 | 44.9 Ų | 44.9 | 31% | 0.31 | 23% | 0.23 | S | C | . | . | I | π-helix | trans | -72.2 | -36.9 | -176.1 | -72.8 | -24.6 | 0 | 0 | 0 | 113 | T867 N868 | T867-N871 WeakPolarHBondContact CG2-ND2 3.2Å; T867-N871 VanDerWaalsContact O-CB 3.28Å; T867-N871 WeakPolarHBondContact O-CB 3.21Å; T867-N871 VanDerWaalsContact O-CG 3.24Å; T867-N871 PolarHBondContact O-N 3.41Å; T867-N871 PolarHBondContact O-ND2 3.45Å; N868-N871 PolarHBondContact O-N 2.82Å |
| 872 | N | 82.1 | Confident | 79.4 | Confident | 113 Ų | 113 | 43.8 Ų | 43.8 | 60% | 0.604 | 22% | 0.222 | S | C | * | . | I | π-helix | trans | -91.4 | -35.8 | -171.9 | -63.2 | -22.2 | 0 | 0 | 0 | 113.6 | N868 P876 | N868-N872 WeakPolarHBondContact O-CB 3.41Å; N868-N872 PolarHBondContact O-N 3.16Å; N868-N872 PolarHBondContact O-ND2 2.9Å; N872-P876 WeakPolarHBondContact O-CG 3.46Å |
| 873 | S | 83.4 | Confident | 79.8 | Confident | 17 Ų | 17 | 42 Ų | 42 | 12% | 0.119 | 21% | 0.214 | C | C | . | . | I | π-helix | trans | -110.7 | -52 | -171.5 | -39.7 | 0 | 0 | 0 | 0 | 112.1 | E804 H869 P876 I877 | E804-S873 WeakPolarHBondContact OE2-CB 3.36Å; H869-S873 PolarHBondContact ND1-OG 3.05Å; H869-S873 WeakPolarHBondContact O-CB 3.37Å; H869-S873 PolarHBondContact O-N 3.24Å; S873-P876 WeakPolarHBondContact O-CD 3.5Å; S873-I877 WeakPolarHBondContact O-CD1 3.23Å; S873-I877 WeakPolarHBondContact O-CG1 3.5Å |
| 874 | L | 83.3 | Confident | 80.2 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | I | π-helix | trans | -79.8 | -42.4 | -173.6 | -66 | -179.4 | 0 | 0 | 0 | 113.7 | E804 I841 L845 H869 W870 I877 F878 | E804-L874 WeakPolarHBondContact OE1-CD2 3.43Å; I841-L874 HydrophobicContact CG2-CD2 3.76Å; L845-L874 HydrophobicContact CD2-CD1 3.83Å; L845-L874 HydrophobicContact CG-CD1 4.2Å; H869-L874 PolarHBondContact O-N 3.17Å; W870-L874 HydrophobicContact CE3-CB 3.82Å; W870-L874 HydrophobicContact CE3-CD1 3.74Å; W870-L874 HydrophobicContact CE3-CG 4.44Å; W870-L874 HydrophobicContact CZ3-CB 4.09Å; W870-L874 HydrophobicContact CZ3-CD1 4.1Å; L874-I877 WeakPolarHBondContact O-CB 3.46Å; L874-I877 PolarHBondContact O-N 3.38Å; L874-F878 HydrophobicContact CB-CD2 4.1Å; L874-F878 HydrophobicContact CB-CE2 3.98Å; L874-F878 HydrophobicContact CD2-CE2 4.34Å; L874-F878 WeakPolarHBondContact O-CD2 3.02Å; L874-F878 PolarHBondContact O-N 3.28Å |
| 875 | T | 79.2 | Confident | 80.4 | Confident | 11 Ų | 11 | 37.9 Ų | 37.9 | 7% | 0.067 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.5 | -45.4 | -179.2 | -68.1 | 0 | 0 | 0 | 0 | 112.4 | W870 I877 F878 K879 P1044 | W870-T875 PolarHBondContact NE1-OG1 3.34Å; W870-T875 WeakPolarHBondContact O-CB 3.46Å; W870-T875 PolarHBondContact O-N 2.65Å; W870-T875 PolarHBondContact O-OG1 2.81Å; T875-I877 VanDerWaalsContact C-N 3.27Å; T875-I877 PolarHBondContact O-N 3.17Å; T875-F878 PolarHBondContact O-N 3.36Å; T875-K879 HydrophobicContact CG2-CD 3.87Å; T875-K879 HydrophobicContact CG2-CG 4.27Å; T875-K879 WeakPolarHBondContact O-CB 3.44Å; T875-K879 WeakPolarHBondContact O-CG 3.47Å; T875-K879 PolarHBondContact O-N 3.11Å; T875-P1044 HydrophobicContact CG2-CB 4.09Å; T875-P1044 HydrophobicContact CG2-CG 3.88Å |
| 876 | P | 82.3 | Confident | 80.7 | Confident | 48 Ų | 48 | 34.2 Ų | 34.2 | 31% | 0.312 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -59.1 | -34.6 | 174.4 | -26.5 | 36 | 0 | 0 | 0 | 114.1 | N872 S873 L880 | N872-P876 WeakPolarHBondContact O-CG 3.46Å; S873-P876 WeakPolarHBondContact O-CD 3.5Å; P876-L880 WeakPolarHBondContact O-CG 3.4Å |
| 877 | I | 83.8 | Confident | 81 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -70.9 | -44.8 | 177.9 | -65.9 | 168.6 | 0 | 0 | 0 | 110.5 | E804 S873 L874 T875 L880 W883 | E804-I877 HydrophobicContact CB-CD1 3.61Å; E804-I877 HydrophobicContact CG-CD1 3.77Å; E804-I877 WeakPolarHBondContact O-CD1 3.49Å; S873-I877 WeakPolarHBondContact O-CD1 3.23Å; S873-I877 WeakPolarHBondContact O-CG1 3.5Å; L874-I877 WeakPolarHBondContact O-CB 3.46Å; L874-I877 PolarHBondContact O-N 3.38Å; T875-I877 VanDerWaalsContact C-N 3.27Å; T875-I877 PolarHBondContact O-N 3.17Å; I877-L880 WeakPolarHBondContact O-CB 3.29Å; I877-L880 WeakPolarHBondContact O-CG 3.35Å; I877-L880 PolarHBondContact O-N 2.86Å; I877-W883 HydrophobicContact CG2-CZ2 3.93Å; I877-W883 VanDerWaalsContact O-CD1 3.28Å; I877-W883 PolarHBondContact O-NE1 2.89Å |
| 878 | F | 82.3 | Confident | 81.2 | Confident | 6 Ų | 6 | 35 Ų | 35 | 3% | 0.026 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -76 | -23.1 | -176.2 | -69.8 | -53.5 | 0 | 0 | 0 | 114.4 | I841 W870 L874 T875 L880 W883 I1024 L1048 | I841-F878 HydrophobicContact CG2-CE2 4.38Å; I841-F878 HydrophobicContact CG2-CZ 3.83Å; W870-F878 AromaticContact CH2-CD2 3.85Å; W870-F878 HydrophobicContact CH2-CD2 3.85Å; W870-F878 HydrophobicContact CH2-CE2 4.03Å; W870-F878 AromaticContact CZ3-CD2 3.98Å; W870-F878 HydrophobicContact CZ3-CD2 3.98Å; W870-F878 AromaticContact CZ3-CE2 3.79Å; W870-F878 HydrophobicContact CZ3-CE2 3.79Å; L874-F878 HydrophobicContact CB-CD2 4.1Å; L874-F878 HydrophobicContact CB-CE2 3.98Å; L874-F878 HydrophobicContact CD2-CE2 4.34Å; L874-F878 WeakPolarHBondContact O-CD2 3.02Å; L874-F878 PolarHBondContact O-N 3.28Å; T875-F878 PolarHBondContact O-N 3.36Å; F878-L880 PolarHBondContact O-N 2.78Å; F878-W883 HydrophobicContact CD1-CD2 4.23Å; F878-W883 AromaticContact CD1-CE2 3.73Å; F878-W883 HydrophobicContact CD1-CG 4.46Å; F878-W883 HydrophobicContact CD1-CZ2 4.06Å; F878-W883 AromaticContact CD1-NE1 3.68Å; F878-W883 HydrophobicContact CE1-CD2 4.49Å; F878-W883 AromaticContact CE1-CE2 3.97Å; F878-W883 HydrophobicContact CE1-CH2 4.24Å; F878-W883 AromaticContact CE1-CZ2 3.84Å; F878-W883 HydrophobicContact CE1-CZ2 3.84Å; F878-I1024 HydrophobicContact CZ-CD1 4.05Å; F878-L1048 HydrophobicContact CB-CD1 3.85Å; F878-L1048 HydrophobicContact CB-CD2 4.09Å; F878-L1048 HydrophobicContact CB-CG 4.1Å; F878-L1048 HydrophobicContact CD1-CD1 3.7Å; F878-L1048 HydrophobicContact CD1-CD2 3.44Å; F878-L1048 VanDerWaalsContact CD1-CD2 3.44Å; F878-L1048 HydrophobicContact CD1-CG 4.1Å; F878-L1048 HydrophobicContact CD2-CD1 4Å; F878-L1048 HydrophobicContact CE1-CD1 4.16Å; F878-L1048 HydrophobicContact CE1-CD2 4.08Å; F878-L1048 HydrophobicContact CE2-CD1 4.44Å; F878-L1048 HydrophobicContact CG-CD1 3.6Å; F878-L1048 HydrophobicContact CG-CD2 4.02Å; F878-L1048 HydrophobicContact CG-CG 4.21Å; F878-L1048 HydrophobicContact CZ-CD1 4.49Å |
| 879 | K | 80.2 | Confident | 81.1 | Confident | 113 Ų | 113 | 33.7 Ų | 33.7 | 49% | 0.491 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -8.3 | 171.6 | -77.1 | -179.7 | 174.4 | 177.7 | 0 | 113.9 | T875 P1044 | T875-K879 HydrophobicContact CG2-CD 3.87Å; T875-K879 HydrophobicContact CG2-CG 4.27Å; T875-K879 WeakPolarHBondContact O-CB 3.44Å; T875-K879 WeakPolarHBondContact O-CG 3.47Å; T875-K879 PolarHBondContact O-N 3.11Å; K879-P1044 HydrophobicContact CG-CB 4.27Å |
| 880 | L | 82.7 | Confident | 81.1 | Confident | 14 Ų | 14 | 33.1 Ų | 33.1 | 7% | 0.073 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -71.6 | 134.8 | 178.9 | -61.3 | 175 | 0 | 0 | 0 | 110.5 | L811 Q812 P876 I877 F878 F882 W883 | L811-L880 HydrophobicContact CB-CD1 3.59Å; L811-L880 HydrophobicContact CD1-CD1 3.99Å; L811-L880 HydrophobicContact CG-CD1 4.46Å; Q812-L880 HydrophobicContact CG-CD1 4.37Å; Q812-L880 HydrophobicContact CG-CD2 3.39Å; P876-L880 WeakPolarHBondContact O-CG 3.4Å; I877-L880 WeakPolarHBondContact O-CB 3.29Å; I877-L880 WeakPolarHBondContact O-CG 3.35Å; I877-L880 PolarHBondContact O-N 2.86Å; F878-L880 PolarHBondContact O-N 2.78Å; L880-F882 HydrophobicContact CB-CB 4.29Å; L880-F882 PolarHBondContact O-N 3.24Å; L880-W883 PolarHBondContact O-N 3.42Å |
| 881 | P | 76.5 | Confident | 81.1 | Confident | 66 Ų | 66 | 32.8 Ų | 32.8 | 43% | 0.429 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -13.7 | 178.5 | 23.3 | -31.5 | 0 | 0 | 0 | 113.4 | L815 W883 N884 Q885 | L815-P881 HydrophobicContact CD1-CG 3.72Å; L815-P881 HydrophobicContact CD2-CG 3.71Å; L815-P881 HydrophobicContact CG-CG 4.35Å; P881-W883 VanDerWaalsContact C-N 3.29Å; P881-W883 PolarHBondContact O-N 3Å; P881-N884 PolarHBondContact O-N 3.5Å; P881-Q885 WeakPolarHBondContact O-CG 3.02Å; P881-Q885 PolarHBondContact O-N 2.91Å |
| 882 | F | 81.2 | Confident | 81 | Confident | 3 Ų | 3 | 34.1 Ų | 34.1 | 1% | 0.013 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -47.6 | -46.2 | 172.8 | 169.2 | -104.8 | 0 | 0 | 0 | 113 | L811 W820 F823 M837 L880 N884 Q885 M886 L1017 | L811-F882 HydrophobicContact CD1-CD1 3.81Å; L811-F882 HydrophobicContact CD1-CE1 4.25Å; L811-F882 HydrophobicContact CD1-CG 4.24Å; L811-F882 HydrophobicContact CD2-CD1 4.05Å; L811-F882 HydrophobicContact CD2-CD2 3.96Å; L811-F882 HydrophobicContact CD2-CE1 4.25Å; L811-F882 HydrophobicContact CD2-CE2 4.19Å; L811-F882 HydrophobicContact CD2-CG 3.89Å; L811-F882 HydrophobicContact CD2-CZ 4.31Å; W820-F882 HydrophobicContact CZ3-CD2 4.28Å; W820-F882 HydrophobicContact CZ3-CE2 4.3Å; F823-F882 HydrophobicContact CD1-CE2 4.45Å; F823-F882 HydrophobicContact CE1-CD2 4.09Å; F823-F882 AromaticContact CE1-CE2 3.35Å; F823-F882 HydrophobicContact CE1-CE2 3.35Å; F823-F882 HydrophobicContact CE1-CZ 4.13Å; F823-F882 HydrophobicContact CE2-CD2 4.23Å; F823-F882 HydrophobicContact CE2-CE2 4.28Å; F823-F882 AromaticContact CZ-CD2 3.57Å; F823-F882 HydrophobicContact CZ-CD2 3.57Å; F823-F882 AromaticContact CZ-CE2 3.24Å; F823-F882 HydrophobicContact CZ-CE2 3.24Å; F823-F882 HydrophobicContact CZ-CZ 4.08Å; M837-F882 HydrophobicContact CE-CE1 3.95Å; M837-F882 HydrophobicContact CE-CZ 4.42Å; L880-F882 HydrophobicContact CB-CB 4.29Å; L880-F882 PolarHBondContact O-N 3.24Å; F882-N884 PolarHBondContact O-N 3.06Å; F882-Q885 PolarHBondContact O-N 3.33Å; F882-M886 HydrophobicContact CE1-CB 4.4Å; F882-M886 HydrophobicContact CE2-CB 4.12Å; F882-M886 HydrophobicContact CZ-CB 4.04Å; F882-M886 HydrophobicContact CZ-CG 4.12Å; F882-M886 VanDerWaalsContact O-CB 3.23Å; F882-M886 WeakPolarHBondContact O-CB 3.37Å; F882-M886 PolarHBondContact O-N 2.76Å; F882-L1017 HydrophobicContact CZ-CD1 4.48Å |
| 883 | W | 80.4 | Confident | 80.6 | Confident | 3 Ų | 3 | 29.9 Ų | 29.9 | 1% | 0.011 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.2 | -44.8 | -175.1 | -67.3 | 102 | 0 | 0 | 0 | 112.3 | I841 I877 F878 L880 P881 Q885 M886 L887 L1017 I1021 L1048 | I841-W883 HydrophobicContact CD1-CH2 3.84Å; I841-W883 HydrophobicContact CD1-CZ2 3.88Å; I877-W883 HydrophobicContact CG2-CZ2 3.93Å; I877-W883 VanDerWaalsContact O-CD1 3.28Å; I877-W883 PolarHBondContact O-NE1 2.89Å; F878-W883 HydrophobicContact CD1-CD2 4.23Å; F878-W883 AromaticContact CD1-CE2 3.73Å; F878-W883 HydrophobicContact CD1-CG 4.46Å; F878-W883 HydrophobicContact CD1-CZ2 4.06Å; F878-W883 AromaticContact CD1-NE1 3.68Å; F878-W883 HydrophobicContact CE1-CD2 4.49Å; F878-W883 AromaticContact CE1-CE2 3.97Å; F878-W883 HydrophobicContact CE1-CH2 4.24Å; F878-W883 AromaticContact CE1-CZ2 3.84Å; F878-W883 HydrophobicContact CE1-CZ2 3.84Å; L880-W883 PolarHBondContact O-N 3.42Å; P881-W883 VanDerWaalsContact C-N 3.29Å; P881-W883 PolarHBondContact O-N 3Å; W883-Q885 VanDerWaalsContact C-N 3.33Å; W883-Q885 PolarHBondContact O-N 2.83Å; W883-M886 HydrophobicContact CE3-CE 3.44Å; W883-M886 VanDerWaalsContact CE3-CE 3.44Å; W883-M886 HydrophobicContact CZ3-CE 3.71Å; W883-M886 PolarHBondContact O-N 3.11Å; W883-L887 VanDerWaalsContact O-CB 3.26Å; W883-L887 WeakPolarHBondContact O-CB 3.39Å; W883-L887 WeakPolarHBondContact O-CD1 3.39Å; W883-L887 WeakPolarHBondContact O-CG 3.2Å; W883-L887 PolarHBondContact O-N 3.19Å; W883-L1017 HydrophobicContact CH2-CD2 3.89Å; W883-L1017 HydrophobicContact CZ3-CB 4.25Å; W883-L1017 HydrophobicContact CZ3-CD2 4.07Å; W883-I1021 HydrophobicContact CE3-CD1 3.81Å; W883-I1021 HydrophobicContact CE3-CG1 4.37Å; W883-I1021 HydrophobicContact CZ3-CD1 3.83Å; W883-I1021 HydrophobicContact CZ3-CG1 4.06Å; W883-L1048 HydrophobicContact CB-CD2 4.32Å; W883-L1048 HydrophobicContact CG-CD2 4.28Å |
| 884 | N | 79.1 | Confident | 80.4 | Confident | 54 Ų | 54 | 29.7 Ų | 29.7 | 29% | 0.289 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -61.8 | -43.6 | 177.1 | -73.8 | -14.2 | 0 | 0 | 0 | 111.3 | P881 F882 C888 D1047 P1051 | P881-N884 PolarHBondContact O-N 3.5Å; F882-N884 PolarHBondContact O-N 3.06Å; N884-C888 VanDerWaalsContact O-CB 3.29Å; N884-C888 WeakPolarHBondContact O-CB 3.16Å; N884-C888 PolarHBondContact O-N 2.85Å; N884-C888 PolarHBondContact O-SG 2.89Å; N884-D1047 PolarHBondContact OD1-O 3.37Å; N884-P1051 HydrophobicContact CB-CG 4.39Å; N884-P1051 WeakPolarHBondContact OD1-CG 3.3Å |
| 885 | Q | 78.7 | Confident | 80.4 | Confident | 86 Ų | 86 | 29.7 Ų | 29.7 | 40% | 0.402 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -67.5 | -44 | 179.2 | -68.6 | 175.7 | -20.8 | 0 | 0 | 112.6 | W820 P881 F882 W883 C888 R889 | W820-Q885 HydrophobicContact CH2-CB 3.42Å; W820-Q885 VanDerWaalsContact CH2-CB 3.42Å; W820-Q885 HydrophobicContact CH2-CG 4.25Å; W820-Q885 HydrophobicContact CZ2-CB 3.38Å; W820-Q885 HydrophobicContact CZ2-CG 4Å; W820-Q885 VanDerWaalsContact CZ2-OE1 3.29Å; P881-Q885 WeakPolarHBondContact O-CG 3.02Å; P881-Q885 PolarHBondContact O-N 2.91Å; F882-Q885 PolarHBondContact O-N 3.33Å; W883-Q885 VanDerWaalsContact C-N 3.33Å; W883-Q885 PolarHBondContact O-N 2.83Å; Q885-C888 PolarHBondContact O-N 3.05Å; Q885-R889 WeakPolarHBondContact O-CB 3.37Å; Q885-R889 PolarHBondContact O-N 3.44Å |
| 886 | M | 83.9 | Confident | 80.4 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.2 | -47.7 | 176.2 | 177.7 | -82.1 | -70.9 | 0 | 0 | 111 | F882 W883 R889 F890 Y1014 L1017 I1021 | F882-M886 HydrophobicContact CE1-CB 4.4Å; F882-M886 HydrophobicContact CE2-CB 4.12Å; F882-M886 HydrophobicContact CZ-CB 4.04Å; F882-M886 HydrophobicContact CZ-CG 4.12Å; F882-M886 VanDerWaalsContact O-CB 3.23Å; F882-M886 WeakPolarHBondContact O-CB 3.37Å; F882-M886 PolarHBondContact O-N 2.76Å; W883-M886 HydrophobicContact CE3-CE 3.44Å; W883-M886 VanDerWaalsContact CE3-CE 3.44Å; W883-M886 HydrophobicContact CZ3-CE 3.71Å; W883-M886 PolarHBondContact O-N 3.11Å; M886-R889 PolarHBondContact O-N 2.77Å; M886-F890 WeakPolarHBondContact O-CB 3.41Å; M886-F890 PolarHBondContact O-N 2.85Å; M886-Y1014 HydrophobicContact CG-CD1 3.27Å; M886-Y1014 HydrophobicContact CG-CD2 4.47Å; M886-Y1014 HydrophobicContact CG-CE1 3.76Å; M886-Y1014 HydrophobicContact CG-CG 3.7Å; M886-Y1014 HydrophobicContact SD-CD1 3.95Å; M886-Y1014 HydrophobicContact SD-CG 3.91Å; M886-L1017 HydrophobicContact CE-CB 4Å; M886-L1017 HydrophobicContact CE-CD1 4.18Å; M886-I1021 HydrophobicContact CE-CD1 4.15Å |
| 887 | L | 83.9 | Confident | 80.2 | Confident | 2 Ų | 2 | 27.6 Ų | 27.6 | 1% | 0.01 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.7 | -43.9 | 179 | -73.5 | 162.2 | 0 | 0 | 0 | 111.5 | W883 R889 F890 M891 M1018 I1021 P1051 L1052 | W883-L887 VanDerWaalsContact O-CB 3.26Å; W883-L887 WeakPolarHBondContact O-CB 3.39Å; W883-L887 WeakPolarHBondContact O-CD1 3.39Å; W883-L887 WeakPolarHBondContact O-CG 3.2Å; W883-L887 PolarHBondContact O-N 3.19Å; L887-R889 VanDerWaalsContact C-N 3.31Å; L887-R889 PolarHBondContact O-N 3.46Å; L887-F890 PolarHBondContact O-N 2.56Å; L887-M891 VanDerWaalsContact O-CG 3.3Å; L887-M891 WeakPolarHBondContact O-CG 3.14Å; L887-M891 PolarHBondContact O-N 3.45Å; L887-M1018 HydrophobicContact CD2-CE 3.66Å; L887-M1018 HydrophobicContact CD2-SD 3.11Å; L887-M1018 WeakPolarHBondContact CD2-SD 3.43Å; L887-M1018 HydrophobicContact CG-SD 4.47Å; L887-I1021 HydrophobicContact CD1-CD1 4.18Å; L887-I1021 HydrophobicContact CD2-CD1 4.08Å; L887-I1021 HydrophobicContact CG-CD1 4.47Å; L887-P1051 HydrophobicContact CB-CB 3.46Å; L887-P1051 VanDerWaalsContact CB-CB 3.46Å; L887-P1051 HydrophobicContact CB-CG 4.1Å; L887-P1051 HydrophobicContact CD1-CB 3.66Å; L887-P1051 HydrophobicContact CD1-CG 3.7Å; L887-P1051 HydrophobicContact CG-CB 4.07Å; L887-P1051 HydrophobicContact CG-CG 4.49Å; L887-L1052 HydrophobicContact CD2-CD2 4.41Å |
| 888 | C | 78.7 | Confident | 79.9 | Confident | 41 Ų | 41 | 27.6 Ų | 27.6 | 28% | 0.277 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -58.1 | -43 | 173.5 | -77.6 | 0 | 0 | 0 | 0 | 112.2 | N884 Q885 M891 Q892 | N884-C888 VanDerWaalsContact O-CB 3.29Å; N884-C888 WeakPolarHBondContact O-CB 3.16Å; N884-C888 PolarHBondContact O-N 2.85Å; N884-C888 PolarHBondContact O-SG 2.89Å; Q885-C888 PolarHBondContact O-N 3.05Å; C888-M891 PolarHBondContact O-N 2.95Å; C888-Q892 WeakPolarHBondContact O-CB 3.36Å; C888-Q892 VanDerWaalsContact O-CG 3.23Å; C888-Q892 WeakPolarHBondContact O-CG 3.34Å; C888-Q892 PolarHBondContact O-N 2.67Å; C888-Q892 VanDerWaalsContact O-N 3.08Å |
| 889 | R | 78.7 | Confident | 79.5 | Confident | 47 Ų | 47 | 27.3 Ų | 27.3 | 18% | 0.177 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -68.4 | -43.1 | 177.6 | -170.8 | 174.5 | -171.6 | -152.7 | 1.7 | 112.1 | E824 Q885 M886 L887 M891 Q892 N893 Y1014 | E824-R889 IonicContact OE1-NH1 3.73Å; Q885-R889 WeakPolarHBondContact O-CB 3.37Å; Q885-R889 PolarHBondContact O-N 3.44Å; M886-R889 PolarHBondContact O-N 2.77Å; L887-R889 VanDerWaalsContact C-N 3.31Å; L887-R889 PolarHBondContact O-N 3.46Å; R889-M891 VanDerWaalsContact C-N 3.34Å; R889-M891 PolarHBondContact O-N 3.13Å; R889-Q892 PolarHBondContact O-N 3.14Å; R889-N893 HydrophobicContact CG-CB 4.41Å; R889-N893 WeakPolarHBondContact O-CB 3.49Å; R889-N893 PolarHBondContact O-N 3.4Å; R889-Y1014 PolarHBondContact NH1-OH 3.44Å; R889-Y1014 VanDerWaalsContact NH1-OH 3.12Å |
| 890 | F | 83.5 | Confident | 79.1 | Confident | 3 Ų | 3 | 22.4 Ų | 22.4 | 1% | 0.013 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -56 | -50.6 | 174.1 | 171.5 | -99 | 0 | 0 | 0 | 110.5 | M886 L887 Q892 E894 S895 L1015 M1018 W1055 E1099 | M886-F890 WeakPolarHBondContact O-CB 3.41Å; M886-F890 PolarHBondContact O-N 2.85Å; L887-F890 PolarHBondContact O-N 2.56Å; F890-Q892 VanDerWaalsContact C-N 3.29Å; F890-Q892 PolarHBondContact O-N 3.06Å; F890-E894 HydrophobicContact CD2-CB 3.79Å; F890-E894 HydrophobicContact CE2-CB 4.21Å; F890-E894 PolarHBondContact O-N 3.37Å; F890-S895 WeakPolarHBondContact O-CB 3.33Å; F890-S895 PolarHBondContact O-N 2.94Å; F890-L1015 HydrophobicContact CE2-CD1 4.07Å; F890-L1015 HydrophobicContact CZ-CD1 4.08Å; F890-M1018 HydrophobicContact CD1-CE 4.03Å; F890-M1018 HydrophobicContact CD1-CG 3.98Å; F890-M1018 HydrophobicContact CD1-SD 3.89Å; F890-M1018 HydrophobicContact CD2-CG 4.22Å; F890-M1018 HydrophobicContact CE1-CE 3.96Å; F890-M1018 HydrophobicContact CE1-CG 3.92Å; F890-M1018 HydrophobicContact CE1-SD 4.21Å; F890-M1018 HydrophobicContact CE2-CG 4.17Å; F890-M1018 HydrophobicContact CG-CG 4.14Å; F890-M1018 HydrophobicContact CG-SD 4.28Å; F890-M1018 HydrophobicContact CZ-CG 4.02Å; F890-W1055 AromaticContact CE1-CE2 3.99Å; F890-W1055 AromaticContact CE1-CH2 3.93Å; F890-W1055 HydrophobicContact CE1-CH2 3.93Å; F890-W1055 AromaticContact CE1-CZ2 3.62Å; F890-W1055 HydrophobicContact CE1-CZ2 3.62Å; F890-W1055 HydrophobicContact CZ-CH2 4.43Å; F890-W1055 HydrophobicContact CZ-CZ2 4.21Å; F890-E1099 HydrophobicContact CZ-CG 4.42Å |
| 891 | M | 81.5 | Confident | 78.7 | Confident | 2 Ų | 2 | 21.8 Ų | 21.8 | 1% | 0.01 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.7 | -31.5 | 179.7 | -70.7 | -173.1 | -74.8 | 0 | 0 | 114.2 | L887 C888 R889 T898 G899 P1051 D1054 W1055 | L887-M891 VanDerWaalsContact O-CG 3.3Å; L887-M891 WeakPolarHBondContact O-CG 3.14Å; L887-M891 PolarHBondContact O-N 3.45Å; C888-M891 PolarHBondContact O-N 2.95Å; R889-M891 VanDerWaalsContact C-N 3.34Å; R889-M891 PolarHBondContact O-N 3.13Å; M891-T898 CarbonylContact O-C 3.6Å; M891-T898 PolarHBondContact O-OG1 2.92Å; M891-G899 WeakPolarHBondContact O-CA 3.26Å; M891-G899 PolarHBondContact O-N 3.06Å; M891-P1051 HydrophobicContact CE-CB 4.25Å; M891-D1054 HydrophobicContact CE-CB 4.18Å; M891-D1054 HydrophobicContact SD-CB 4.43Å; M891-W1055 HydrophobicContact CG-CB 4.08Å; M891-W1055 HydrophobicContact CG-CG 3.89Å; M891-W1055 WeakPolarHBondContact SD-CA 3.16Å; M891-W1055 HydrophobicContact SD-CB 3.41Å; M891-W1055 WeakPolarHBondContact SD-CB 3.32Å; M891-W1055 HydrophobicContact SD-CG 3.88Å; M891-W1055 PolarHBondContact SD-N 2.85Å; M891-W1055 VanDerWaalsContact SD-N 3.37Å |
| 892 | Q | 75.3 | Confident | 78.5 | Confident | 87 Ų | 87 | 21.8 Ų | 21.8 | 41% | 0.407 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -85.7 | -45 | -178.7 | -72.1 | 173.3 | -18.3 | 0 | 0 | 112.2 | C888 R889 F890 G899 S900 R1058 | C888-Q892 WeakPolarHBondContact O-CB 3.36Å; C888-Q892 VanDerWaalsContact O-CG 3.23Å; C888-Q892 WeakPolarHBondContact O-CG 3.34Å; C888-Q892 PolarHBondContact O-N 2.67Å; C888-Q892 VanDerWaalsContact O-N 3.08Å; R889-Q892 PolarHBondContact O-N 3.14Å; F890-Q892 VanDerWaalsContact C-N 3.29Å; F890-Q892 PolarHBondContact O-N 3.06Å; Q892-G899 WeakPolarHBondContact O-CA 3.44Å; Q892-S900 PolarHBondContact O-N 2.83Å; Q892-R1058 VanDerWaalsContact CG-NH1 3.27Å |
| 893 | N | 74.7 | Confident | 78.3 | Confident | 23 Ų | 23 | 23.4 Ų | 23.4 | 12% | 0.123 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -117.3 | -12.1 | -161.8 | -66.7 | 16.5 | 0 | 0 | 0 | 114.4 | R889 D906 W976 P977 | R889-N893 HydrophobicContact CG-CB 4.41Å; R889-N893 WeakPolarHBondContact O-CB 3.49Å; R889-N893 PolarHBondContact O-N 3.4Å; N893-D906 PolarHBondContact ND2-OD1 3.47Å; N893-W976 VanDerWaalsContact C-CZ2 3.4Å; N893-W976 WeakPolarHBondContact O-CZ2 3.46Å; N893-W976 PolarHBondContact O-NE1 2.92Å; N893-W976 VanDerWaalsContact O-NE1 3.11Å; N893-P977 WeakPolarHBondContact O-CB 3.48Å |
| 894 | E | 77.8 | Confident | 77.9 | Confident | 13 Ų | 13 | 23.9 Ų | 23.9 | 6% | 0.061 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.7 | -34.5 | -179.7 | -70.3 | -173.4 | -169 | 0 | 0 | 113.9 | F890 I896 Y1014 | F890-E894 HydrophobicContact CD2-CB 3.79Å; F890-E894 HydrophobicContact CE2-CB 4.21Å; F890-E894 PolarHBondContact O-N 3.37Å; E894-I896 PolarHBondContact O-N 3.43Å; E894-Y1014 VanDerWaalsContact CD-CD2 3.46Å; E894-Y1014 WeakPolarHBondContact OE1-CD2 3.23Å; E894-Y1014 VanDerWaalsContact OE1-CE2 3.23Å; E894-Y1014 WeakPolarHBondContact OE1-CE2 3.29Å; E894-Y1014 PolarHBondContact OE2-N 3.48Å |
| 895 | S | 84 | Confident | 77.8 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | trans | -68.3 | 117.8 | -177.1 | 173.6 | 0 | 0 | 0 | 0 | 110.1 | F890 L897 T898 G899 E1099 | F890-S895 WeakPolarHBondContact O-CB 3.33Å; F890-S895 PolarHBondContact O-N 2.94Å; S895-L897 VanDerWaalsContact C-N 3.27Å; S895-L897 PolarHBondContact O-N 3.07Å; S895-L897 PolarHBondContact OG-N 3.08Å; S895-T898 WeakPolarHBondContact CB-OG1 3.34Å; S895-T898 PolarHBondContact OG-N 3.16Å; S895-T898 PolarHBondContact OG-OG1 3.17Å; S895-T898 VanDerWaalsContact OG-OG1 3.06Å; S895-G899 VanDerWaalsContact O-CA 3.26Å; S895-G899 WeakPolarHBondContact O-CA 3.29Å; S895-G899 PolarHBondContact O-N 3.05Å; S895-E1099 VanDerWaalsContact CA-OE1 3.3Å; S895-E1099 WeakPolarHBondContact CA-OE1 3.48Å; S895-E1099 WeakPolarHBondContact CA-OE2 3.11Å; S895-E1099 WeakPolarHBondContact CB-OE2 3.48Å; S895-E1099 PolarHBondContact OG-OE2 2.92Å | ||
| 896 | I | 78.7 | Confident | 77.6 | Confident | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -32 | 176.6 | -61.3 | -157.7 | 0 | 0 | 0 | 111.1 | E894 W976 P1092 L1095 I1096 E1099 | E894-I896 PolarHBondContact O-N 3.43Å; I896-W976 HydrophobicContact CG1-CH2 4.48Å; I896-W976 HydrophobicContact CG1-CZ3 4.2Å; I896-P1092 HydrophobicContact CD1-CB 3.56Å; I896-P1092 HydrophobicContact CD1-CG 3.64Å; I896-P1092 HydrophobicContact CG2-CB 4.47Å; I896-P1092 HydrophobicContact CG2-CG 3.48Å; I896-P1092 VanDerWaalsContact CG2-CG 3.48Å; I896-L1095 HydrophobicContact CD1-CB 3.42Å; I896-L1095 VanDerWaalsContact CD1-CB 3.42Å; I896-L1095 HydrophobicContact CD1-CD1 3.52Å; I896-L1095 HydrophobicContact CD1-CG 4.11Å; I896-L1095 HydrophobicContact CG1-CB 4.08Å; I896-L1095 HydrophobicContact CG1-CD1 4.26Å; I896-I1096 HydrophobicContact CG2-CG1 4.28Å; I896-E1099 PolarHBondContact N-OE1 2.88Å; I896-E1099 PolarHBondContact N-OE2 3.4Å |
| 897 | L | 78.3 | Confident | 77.2 | Confident | 14 Ų | 14 | 23 Ų | 23 | 7% | 0.073 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -31.7 | -177.8 | -64.1 | -178.6 | 0 | 0 | 0 | 113 | S895 I1096 E1099 I1103 I1152 | S895-L897 VanDerWaalsContact C-N 3.27Å; S895-L897 PolarHBondContact O-N 3.07Å; S895-L897 PolarHBondContact OG-N 3.08Å; L897-I1096 HydrophobicContact CD2-CG2 4.45Å; L897-E1099 HydrophobicContact CD1-CB 3.53Å; L897-E1099 HydrophobicContact CG-CB 3.99Å; L897-E1099 PolarHBondContact N-OE2 3.07Å; L897-E1099 VanDerWaalsContact N-OE2 3.13Å; L897-I1103 HydrophobicContact CB-CD1 4.38Å; L897-I1103 HydrophobicContact CD1-CD1 3.46Å; L897-I1103 VanDerWaalsContact CD1-CD1 3.46Å; L897-I1152 HydrophobicContact CD1-CD1 3.79Å |
| 898 | T | 77.8 | Confident | 76.7 | Confident | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.006 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -124.8 | -2.2 | -173.9 | 65.6 | 0 | 0 | 0 | 0 | 116.3 | M891 S895 W1055 R1058 V1059 F1064 | M891-T898 CarbonylContact O-C 3.6Å; M891-T898 PolarHBondContact O-OG1 2.92Å; S895-T898 WeakPolarHBondContact CB-OG1 3.34Å; S895-T898 PolarHBondContact OG-N 3.16Å; S895-T898 PolarHBondContact OG-OG1 3.17Å; S895-T898 VanDerWaalsContact OG-OG1 3.06Å; T898-W1055 VanDerWaalsContact CG2-CD1 3.49Å; T898-W1055 PolarHBondContact OG1-NE1 2.87Å; T898-R1058 HydrophobicContact CG2-CB 3.97Å; T898-V1059 HydrophobicContact CG2-CB 4.44Å; T898-V1059 HydrophobicContact CG2-CG2 3.51Å; T898-F1064 VanDerWaalsContact O-CD2 3.25Å; T898-F1064 WeakPolarHBondContact O-CD2 2.96Å; T898-F1064 WeakPolarHBondContact O-CE2 3.17Å |
| 899 | G | 73.4 | Confident | 76 | Confident | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.01 | 12% | 0.118 | C | C | . | . | trans | -114.5 | 159.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114 | M891 Q892 S895 W1068 | M891-G899 WeakPolarHBondContact O-CA 3.26Å; M891-G899 PolarHBondContact O-N 3.06Å; Q892-G899 WeakPolarHBondContact O-CA 3.44Å; S895-G899 VanDerWaalsContact O-CA 3.26Å; S895-G899 WeakPolarHBondContact O-CA 3.29Å; S895-G899 PolarHBondContact O-N 3.05Å; G899-W1068 WeakPolarHBondContact O-CZ2 3.15Å | ||
| 900 | S | 72.9 | Confident | 75.1 | Confident | 10 Ų | 10 | 23.3 Ų | 23.3 | 7% | 0.07 | 12% | 0.121 | C | C | . | . | trans | -152.9 | 155.6 | 168.1 | 65.8 | 0 | 0 | 0 | 0 | 109.3 | Q892 V902 F1064 | Q892-S900 PolarHBondContact O-N 2.83Å; S900-V902 PolarHBondContact O-N 3.4Å; S900-F1064 WeakPolarHBondContact OG-CE1 3.26Å | ||
| 901 | P | 74.2 | Confident | 73.3 | Confident | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.006 | 15% | 0.153 | C | C | . | . | trans | -68.9 | 114.1 | 176.7 | 28.4 | -34.4 | 0 | 0 | 0 | 109.9 | D906 V907 L938 L943 F962 W976 W1068 | P901-D906 HydrophobicContact CB-CB 4.44Å; P901-V907 HydrophobicContact CB-CG2 3.29Å; P901-V907 HydrophobicContact CG-CG2 4.26Å; P901-L938 HydrophobicContact CB-CD1 3.98Å; P901-L943 HydrophobicContact CG-CD1 3.93Å; P901-F962 HydrophobicContact CG-CD2 4.5Å; P901-F962 HydrophobicContact CG-CE2 4.34Å; P901-W976 HydrophobicContact CB-CG 4.47Å; P901-W1068 VanDerWaalsContact CD-CH2 3.41Å; P901-W1068 HydrophobicContact CG-CH2 4.4Å | ||
| 902 | V | 72.8 | Confident | 71.6 | Confident | 65 Ų | 65 | 29.8 Ų | 29.8 | 39% | 0.394 | 16% | 0.156 | S | C | . | . | trans | -98.8 | -33.2 | -177.6 | -178.4 | 0 | 0 | 0 | 0 | 111.2 | S900 D906 L937 L938 | S900-V902 PolarHBondContact O-N 3.4Å; V902-D906 PolarHBondContact N-OD2 3.08Å; V902-D906 VanDerWaalsContact N-OD2 3.16Å; V902-L937 HydrophobicContact CG1-CD2 3.89Å; V902-L937 WeakPolarHBondContact O-CA 3.28Å; V902-L938 PolarHBondContact O-N 3Å | ||
| 903 | Q | 76.4 | Confident | 69.8 | Low | 38 Ų | 38 | 29.3 Ų | 29.3 | 18% | 0.178 | 16% | 0.16 | C | C | . | . | B | Isolated β-bridge | trans | -128.3 | 158.2 | -177.8 | -70.4 | 178.4 | -10.9 | 0 | 0 | 111.5 | R905 D906 T936 L937 L938 | Q903-R905 HydrophobicContact CB-CG 3.97Å; Q903-R905 PolarHBondContact O-N 3.44Å; Q903-R905 VanDerWaalsContact O-N 3.16Å; Q903-D906 PolarHBondContact N-OD2 3.22Å; Q903-D906 WeakPolarHBondContact O-CB 3.34Å; Q903-D906 PolarHBondContact O-N 3.44Å; Q903-T936 VanDerWaalsContact CA-O 3.29Å; Q903-T936 WeakPolarHBondContact CA-O 3.44Å; Q903-L937 HydrophobicContact CG-CD2 3.84Å; Q903-L938 WeakPolarHBondContact O-CD1 3.4Å |
| 904 | V | 72.3 | Confident | 67.8 | Low | 12 Ų | 12 | 34.8 Ų | 34.8 | 7% | 0.073 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -55.8 | -34.2 | 177.7 | 176.3 | 0 | 0 | 0 | 0 | 111.9 | D906 V907 W929 L932 T936 L938 | V904-D906 PolarHBondContact O-N 3.31Å; V904-V907 PolarHBondContact O-N 3.27Å; V904-W929 HydrophobicContact CG1-CE3 4.2Å; V904-W929 HydrophobicContact CG2-CE3 3.72Å; V904-W929 HydrophobicContact CG2-CZ3 3.59Å; V904-L932 HydrophobicContact CG2-CD2 4.46Å; V904-T936 WeakPolarHBondContact CG2-OG1 3.5Å; V904-T936 PolarHBondContact N-O 3.43Å; V904-L938 HydrophobicContact CG2-CD2 3.94Å; V904-L938 HydrophobicContact CG2-CG 4.32Å |
| 905 | R | 75.3 | Confident | 65.6 | Low | 110 Ų | 110 | 37.7 Ų | 37.7 | 42% | 0.415 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -63.9 | -17.4 | 174.9 | 72.7 | -175.8 | -169.8 | -169 | -3.4 | 115.4 | Q903 V907 Q934 N935 K978 | Q903-R905 HydrophobicContact CB-CG 3.97Å; Q903-R905 PolarHBondContact O-N 3.44Å; Q903-R905 VanDerWaalsContact O-N 3.16Å; R905-V907 PolarHBondContact O-N 2.9Å; R905-Q934 HydrophobicContact CB-CB 3.99Å; R905-Q934 WeakPolarHBondContact CB-O 3.49Å; R905-Q934 PolarHBondContact N-O 3.33Å; R905-N935 PolarHBondContact NH1-OD1 2.97Å; R905-K978 VanDerWaalsContact O-CD 3.24Å; R905-K978 WeakPolarHBondContact O-CD 3.31Å |
| 906 | D | 75.3 | Confident | 63 | Low | 9 Ų | 9 | 43.3 Ų | 43.3 | 5% | 0.048 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -81.9 | -7.8 | -179.4 | -56.2 | -33.9 | 0 | 0 | 0 | 111.5 | N893 P901 V902 Q903 V904 K978 | N893-D906 PolarHBondContact ND2-OD1 3.47Å; P901-D906 HydrophobicContact CB-CB 4.44Å; V902-D906 PolarHBondContact N-OD2 3.08Å; V902-D906 VanDerWaalsContact N-OD2 3.16Å; Q903-D906 PolarHBondContact N-OD2 3.22Å; Q903-D906 WeakPolarHBondContact O-CB 3.34Å; Q903-D906 PolarHBondContact O-N 3.44Å; V904-D906 PolarHBondContact O-N 3.31Å; D906-K978 PolarHBondContact O-N 3.34Å |
| 907 | V | 76 | Confident | 60.7 | Low | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.012 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -131.5 | 148.3 | -167.7 | -175.7 | 0 | 0 | 0 | 0 | 110.4 | P901 V904 R905 L938 L974 T975 | P901-V907 HydrophobicContact CB-CG2 3.29Å; P901-V907 HydrophobicContact CG-CG2 4.26Å; V904-V907 PolarHBondContact O-N 3.27Å; R905-V907 PolarHBondContact O-N 2.9Å; V907-L938 HydrophobicContact CG2-CD1 3.75Å; V907-L974 HydrophobicContact CB-CD2 4.45Å; V907-L974 HydrophobicContact CG1-CB 3.42Å; V907-L974 VanDerWaalsContact CG1-CB 3.42Å; V907-L974 HydrophobicContact CG1-CD1 4.33Å; V907-L974 HydrophobicContact CG1-CD2 3.59Å; V907-L974 HydrophobicContact CG1-CG 3.9Å; V907-T975 CarbonylContact C-O 3.38Å; V907-T975 WeakPolarHBondContact CA-O 3.31Å; V907-T975 VanDerWaalsContact CG1-O 3.23Å; V907-T975 WeakPolarHBondContact CG1-O 3.35Å |
| 908 | S | 72.3 | Confident | 58.2 | Low | 14 Ų | 14 | 55.5 Ų | 55.5 | 10% | 0.098 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 121.1 | 166.2 | -61 | 0 | 0 | 0 | 0 | 109.9 | C910 T975 K978 V979 | S908-C910 PolarHBondContact O-N 2.81Å; S908-T975 VanDerWaalsContact CB-OG1 3.32Å; S908-T975 WeakPolarHBondContact CB-OG1 3.18Å; S908-T975 PolarHBondContact N-O 2.79Å; S908-T975 PolarHBondContact O-N 3.34Å; S908-T975 PolarHBondContact O-OG1 3.47Å; S908-K978 WeakPolarHBondContact OG-CG 3.42Å; S908-V979 PolarHBondContact OG-N 3.35Å; S908-V979 PolarHBondContact OG-O 2.89Å |
| 909 | P | 65.9 | Low | 55.9 | Low | 45 Ų | 45 | 60.1 Ų | 60.1 | 29% | 0.292 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 128.2 | 173.5 | 27.8 | -32.3 | 0 | 0 | 0 | 110.6 | L911 W929 T930 L974 | P909-L911 PolarHBondContact O-N 3.24Å; P909-W929 HydrophobicContact CB-CB 3.6Å; P909-W929 HydrophobicContact CB-CG 4.24Å; P909-W929 HydrophobicContact CG-CB 4.09Å; P909-T930 HydrophobicContact CG-CG2 4.28Å; P909-L974 HydrophobicContact CB-CD2 4.32Å |
| 910 | C | 57.8 | Low | 53.8 | Low | 38 Ų | 38 | 68.4 Ų | 68.4 | 26% | 0.257 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 100.4 | 164.4 | -97.5 | 0 | 0 | 0 | 0 | 108.2 | S908 L912 G973 | S908-C910 PolarHBondContact O-N 2.81Å; C910-L912 PolarHBondContact O-N 3.49Å; C910-L912 VanDerWaalsContact O-N 3.08Å; C910-G973 WeakPolarHBondContact CB-O 3.4Å; C910-G973 PolarHBondContact N-O 3.27Å |
| 911 | L | 47.4 | Very low | 51.8 | Low | 129 Ų | 129 | 72.6 Ų | 72.6 | 68% | 0.675 | 40% | 0.402 | S | S | * | . | trans | -61.9 | 109.4 | 165.8 | -86.4 | 161.2 | 0 | 0 | 0 | 108.5 | P909 T930 | P909-L911 PolarHBondContact O-N 3.24Å; L911-T930 HydrophobicContact CD1-CG2 3.75Å; L911-T930 HydrophobicContact CG-CG2 4.18Å | ||
| 912 | L | 44.5 | Very low | 49.7 | Very low | 13 Ų | 13 | 80 Ų | 80 | 7% | 0.068 | 44% | 0.441 | C | S | . | . | P | Polyproline II helix | trans | -91.4 | 138 | 173 | -77.3 | 146.2 | 0 | 0 | 0 | 108.2 | I385 R386 C910 L971 | I385-L912 HydrophobicContact CB-CD2 4.29Å; R386-L912 HydrophobicContact CB-CD2 4.49Å; R386-L912 HydrophobicContact CG-CB 4.17Å; R386-L912 HydrophobicContact CG-CD1 3.86Å; R386-L912 HydrophobicContact CG-CD2 4Å; R386-L912 HydrophobicContact CG-CG 4.22Å; R386-L912 PolarHBondContact NH1-O 3.01Å; C910-L912 PolarHBondContact O-N 3.49Å; C910-L912 VanDerWaalsContact O-N 3.08Å; L912-L971 VanDerWaalsContact CD1-O 3.29Å; L912-L971 WeakPolarHBondContact CD1-O 3.23Å |
| 913 | P | 37.1 | Very low | 47.8 | Very low | 77 Ų | 77 | 86.2 Ų | 86.2 | 50% | 0.5 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -53.7 | 142.4 | -178.8 | -22.7 | 31.4 | 0 | 0 | 0 | 112.3 | R386 | R386-P913 PolarHBondContact NH1-O 3.35Š|
| 914 | E | 33.3 | Very low | 45.9 | Very low | 137 Ų | 137 | 87.5 Ų | 87.5 | 64% | 0.64 | 49% | 0.489 | S | S | * | . | P | Polyproline II helix | trans | -65.7 | 142.8 | -174.6 | -58.5 | -167 | 138.5 | 0 | 0 | 112.1 | K926 | E914-K926 IonicContact OE1-NZ 2.65Å; E914-K926 PolarHBondContact OE1-NZ 2.81Å |
| 915 | S | 32 | Very low | 44.2 | Very low | 75 Ų | 75 | 92.7 Ų | 92.7 | 52% | 0.524 | 52% | 0.52 | S | S | . | . | trans | -123.2 | 137.3 | 159.5 | 64.8 | 0 | 0 | 0 | 0 | 110.1 | I917 | S915-I917 PolarHBondContact O-N 3.13Š| ||
| 916 | S | 29.8 | Very low | 42.6 | Very low | 117 Ų | 117 | 94.1 Ų | 94.1 | 82% | 0.818 | 53% | 0.53 | S | S | * | . | trans | -87.8 | 71.4 | 173.7 | 51.9 | 0 | 0 | 0 | 0 | 110.1 | N918 | S916-N918 PolarHBondContact O-N 3.4Š| ||
| 917 | I | 29.3 | Very low | 41.5 | Very low | 131 Ų | 131 | 97.1 Ų | 97.1 | 67% | 0.672 | 55% | 0.545 | S | S | * | . | trans | -91.5 | 99.9 | 164.4 | -58.8 | 175.5 | 0 | 0 | 0 | 107.3 | S915 V919 | S915-I917 PolarHBondContact O-N 3.13Å; I917-V919 VanDerWaalsContact C-N 3.33Å; I917-V919 HydrophobicContact CG2-CG2 3.91Å; I917-V919 PolarHBondContact O-N 2.69Å | ||
| 918 | N | 26.7 | Very low | 40.5 | Very low | 141 Ų | 141 | 100.4 Ų | 100.4 | 75% | 0.754 | 56% | 0.563 | S | S | * | * | trans | -62.5 | 89.4 | 167.6 | -97.2 | -21.7 | 0 | 0 | 0 | 109.6 | S916 | S916-N918 PolarHBondContact O-N 3.4Š| ||
| 919 | V | 29.1 | Very low | 40 | Very low | 98 Ų | 98 | 100.6 Ų | 100.6 | 59% | 0.594 | 56% | 0.562 | S | S | * | * | trans | -92 | 99.8 | 160 | -174.6 | 0 | 0 | 0 | 0 | 106.9 | I917 T921 | I917-V919 VanDerWaalsContact C-N 3.33Å; I917-V919 HydrophobicContact CG2-CG2 3.91Å; I917-V919 PolarHBondContact O-N 2.69Å; V919-T921 WeakPolarHBondContact CG1-OG1 3.02Å; V919-T921 PolarHBondContact O-N 3.11Å | ||
| 920 | H | 28.9 | Very low | 39.7 | Very low | 174 Ų | 174 | 102.5 Ų | 102.5 | 81% | 0.806 | 57% | 0.572 | S | S | * | * | trans | -69 | 34 | 174.1 | -91.4 | -67 | 0 | 0 | 0 | 113.7 | ||||
| 921 | T | 31.7 | Very low | 39.9 | Very low | 99 Ų | 99 | 104.8 Ų | 104.8 | 61% | 0.607 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -125.5 | 107.6 | 174.6 | 62.8 | 0 | 0 | 0 | 0 | 110.5 | V919 | V919-T921 WeakPolarHBondContact CG1-OG1 3.02Å; V919-T921 PolarHBondContact O-N 3.11Å |
| 922 | N | 30 | Very low | 40.7 | Very low | 156 Ų | 156 | 100.9 Ų | 100.9 | 83% | 0.834 | 57% | 0.568 | S | S | * | * | S | Bend | trans | 71.4 | 136.8 | 174.1 | -56.6 | -21.4 | 0 | 0 | 0 | 114.8 | G924 | N922-G924 PolarHBondContact O-N 2.92Š|
| 923 | E | 32.9 | Very low | 41.9 | Very low | 196 Ų | 196 | 106.5 Ų | 106.5 | 92% | 0.916 | 60% | 0.599 | S | S | * | * | trans | -61.3 | 66.1 | -179.7 | -61.5 | 171.7 | 152 | 0 | 0 | 111.9 | V925 | E923-V925 PolarHBondContact O-N 2.89Š| ||
| 924 | G | 36.5 | Very low | 43.3 | Very low | 65 Ų | 65 | 107.8 Ų | 107.8 | 67% | 0.67 | 60% | 0.598 | S | S | * | * | trans | -70.6 | 101.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | N922 K926 | N922-G924 PolarHBondContact O-N 2.92Å; G924-K926 PolarHBondContact O-N 3.39Å; G924-K926 VanDerWaalsContact O-N 3.16Å | ||
| 925 | V | 37.3 | Very low | 45.1 | Very low | 120 Ų | 120 | 106.2 Ų | 106.2 | 73% | 0.727 | 59% | 0.594 | S | S | * | * | trans | -51 | 116.6 | 175.6 | 179.9 | 0 | 0 | 0 | 0 | 109.9 | E923 L927 | E923-V925 PolarHBondContact O-N 2.89Å; V925-L927 PolarHBondContact O-N 3.07Å | ||
| 926 | K | 41.1 | Very low | 47.2 | Very low | 141 Ų | 141 | 104.9 Ų | 104.9 | 61% | 0.613 | 58% | 0.583 | S | S | * | * | trans | -64.9 | 110.5 | 170.8 | -157.5 | -179.7 | -176.7 | -170.9 | 0 | 107.4 | E914 G924 D928 | E914-K926 IonicContact OE1-NZ 2.65Å; E914-K926 PolarHBondContact OE1-NZ 2.81Å; G924-K926 PolarHBondContact O-N 3.39Å; G924-K926 VanDerWaalsContact O-N 3.16Å; K926-D928 PolarHBondContact O-N 3.48Å | ||
| 927 | L | 51.6 | Low | 49.2 | Very low | 72 Ų | 72 | 105.3 Ų | 105.3 | 38% | 0.377 | 58% | 0.575 | S | S | . | * | trans | -88.1 | 94.4 | -178.6 | -148.7 | 91 | 0 | 0 | 0 | 109.1 | V925 W929 L932 | V925-L927 PolarHBondContact O-N 3.07Å; L927-W929 HydrophobicContact CD2-CD2 4.07Å; L927-W929 HydrophobicContact CD2-CE3 4.22Å; L927-W929 HydrophobicContact CD2-CH2 3.67Å; L927-W929 HydrophobicContact CD2-CZ2 3.5Å; L927-W929 HydrophobicContact CD2-CZ3 4.02Å; L927-W929 PolarHBondContact O-N 3.23Å; L927-L932 HydrophobicContact CD1-CD1 4.22Å; L927-L932 HydrophobicContact CD2-CD1 4.29Å; L927-L932 HydrophobicContact CD2-CD2 4.38Å; L927-L932 HydrophobicContact CG-CD1 3.84Å | ||
| 928 | D | 56 | Low | 51.2 | Low | 70 Ų | 70 | 99.5 Ų | 99.5 | 37% | 0.374 | 55% | 0.545 | S | S | . | . | trans | -84.8 | 97.9 | 173.5 | -163.8 | -10.8 | 0 | 0 | 0 | 109.1 | K926 T930 S931 L932 | K926-D928 PolarHBondContact O-N 3.48Å; D928-T930 PolarHBondContact O-N 3.06Å; D928-T930 VanDerWaalsContact O-N 3.1Å; D928-T930 PolarHBondContact OD1-N 3.33Å; D928-T930 PolarHBondContact OD1-OG1 3.45Å; D928-S931 WeakPolarHBondContact O-CA 3.43Å; D928-S931 WeakPolarHBondContact O-CB 3.22Å; D928-S931 PolarHBondContact O-N 3.23Å; D928-S931 PolarHBondContact O-OG 2.99Å; D928-L932 WeakPolarHBondContact O-CD1 3.36Å; D928-L932 PolarHBondContact O-N 3.23Å | ||
| 929 | W | 60.5 | Low | 53 | Low | 19 Ų | 19 | 97.6 Ų | 97.6 | 7% | 0.072 | 54% | 0.535 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -25.6 | -178.4 | -67.2 | 96.8 | 0 | 0 | 0 | 113.5 | V904 P909 L927 S931 L932 L938 Y964 S972 L974 | V904-W929 HydrophobicContact CG1-CE3 4.2Å; V904-W929 HydrophobicContact CG2-CE3 3.72Å; V904-W929 HydrophobicContact CG2-CZ3 3.59Å; P909-W929 HydrophobicContact CB-CB 3.6Å; P909-W929 HydrophobicContact CB-CG 4.24Å; P909-W929 HydrophobicContact CG-CB 4.09Å; L927-W929 HydrophobicContact CD2-CD2 4.07Å; L927-W929 HydrophobicContact CD2-CE3 4.22Å; L927-W929 HydrophobicContact CD2-CH2 3.67Å; L927-W929 HydrophobicContact CD2-CZ2 3.5Å; L927-W929 HydrophobicContact CD2-CZ3 4.02Å; L927-W929 PolarHBondContact O-N 3.23Å; W929-S931 PolarHBondContact O-N 3.12Å; W929-L932 HydrophobicContact CE3-CD2 4.3Å; W929-L932 HydrophobicContact CZ3-CD2 4.26Å; W929-L932 PolarHBondContact O-N 2.92Å; W929-L938 HydrophobicContact CH2-CD2 3.7Å; W929-L938 HydrophobicContact CZ3-CD2 3.52Å; W929-Y964 AromaticContact CH2-CD2 3.94Å; W929-Y964 HydrophobicContact CH2-CD2 3.94Å; W929-Y964 AromaticContact CH2-CE2 3.28Å; W929-Y964 HydrophobicContact CH2-CE2 3.28Å; W929-Y964 AromaticContact CH2-CZ 3.73Å; W929-Y964 AromaticContact CZ2-CD2 3.56Å; W929-Y964 HydrophobicContact CZ2-CD2 3.56Å; W929-Y964 AromaticContact CZ2-CE2 3.43Å; W929-Y964 HydrophobicContact CZ2-CE2 3.43Å; W929-Y964 VanDerWaalsContact CZ2-CE2 3.43Å; W929-Y964 HydrophobicContact CZ2-CG 4.34Å; W929-S972 VanDerWaalsContact CD1-CB 3.43Å; W929-S972 PolarHBondContact NE1-OG 3.38Å; W929-L974 HydrophobicContact CD2-CD2 4.26Å; W929-L974 HydrophobicContact CZ2-CD1 4.44Å |
| 930 | T | 60.5 | Low | 54.6 | Low | 85 Ų | 85 | 95.8 Ų | 95.8 | 52% | 0.521 | 52% | 0.522 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -22.5 | 176.3 | 65.4 | 0 | 0 | 0 | 0 | 112.7 | P909 L911 D928 | P909-T930 HydrophobicContact CG-CG2 4.28Å; L911-T930 HydrophobicContact CD1-CG2 3.75Å; L911-T930 HydrophobicContact CG-CG2 4.18Å; D928-T930 PolarHBondContact O-N 3.06Å; D928-T930 VanDerWaalsContact O-N 3.1Å; D928-T930 PolarHBondContact OD1-N 3.33Å; D928-T930 PolarHBondContact OD1-OG1 3.45Å |
| 931 | S | 62.1 | Low | 56.1 | Low | 86 Ų | 86 | 90 Ų | 90 | 60% | 0.601 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -14.7 | 177.2 | 75.8 | 0 | 0 | 0 | 0 | 113.9 | D928 W929 | D928-S931 WeakPolarHBondContact O-CA 3.43Å; D928-S931 WeakPolarHBondContact O-CB 3.22Å; D928-S931 PolarHBondContact O-N 3.23Å; D928-S931 PolarHBondContact O-OG 2.99Å; W929-S931 PolarHBondContact O-N 3.12Å |
| 932 | L | 63.9 | Low | 57.5 | Low | 47 Ų | 47 | 86.3 Ų | 86.3 | 25% | 0.246 | 49% | 0.487 | C | S | . | . | S | Bend | trans | -71.9 | 144.6 | 178.4 | -100.6 | 82.3 | 0 | 0 | 0 | 111.3 | V904 L927 D928 W929 Q934 T936 | V904-L932 HydrophobicContact CG2-CD2 4.46Å; L927-L932 HydrophobicContact CD1-CD1 4.22Å; L927-L932 HydrophobicContact CD2-CD1 4.29Å; L927-L932 HydrophobicContact CD2-CD2 4.38Å; L927-L932 HydrophobicContact CG-CD1 3.84Å; D928-L932 WeakPolarHBondContact O-CD1 3.36Å; D928-L932 PolarHBondContact O-N 3.23Å; W929-L932 HydrophobicContact CE3-CD2 4.3Å; W929-L932 HydrophobicContact CZ3-CD2 4.26Å; W929-L932 PolarHBondContact O-N 2.92Å; L932-Q934 PolarHBondContact O-N 3.23Å; L932-T936 HydrophobicContact CD2-CG2 4.08Å |
| 933 | D | 69 | Low | 59.2 | Low | 131 Ų | 131 | 79.7 Ų | 79.7 | 70% | 0.701 | 45% | 0.451 | S | S | * | . | trans | -58.6 | 129.8 | 170.2 | -83.7 | -27.3 | 0 | 0 | 0 | 110.4 | N935 T936 | D933-N935 PolarHBondContact O-N 3.18Å; D933-T936 HydrophobicContact CB-CG2 4.4Å; D933-T936 WeakPolarHBondContact O-CB 3.35Å; D933-T936 PolarHBondContact O-N 2.87Å; D933-T936 PolarHBondContact O-OG1 2.85Å | ||
| 934 | Q | 67.4 | Low | 60.8 | Low | 103 Ų | 103 | 71.4 Ų | 71.4 | 48% | 0.481 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -24.7 | 179.5 | -76.3 | -172.4 | 1.8 | 0 | 0 | 114.6 | R905 L932 | R905-Q934 HydrophobicContact CB-CB 3.99Å; R905-Q934 WeakPolarHBondContact CB-O 3.49Å; R905-Q934 PolarHBondContact N-O 3.33Å; L932-Q934 PolarHBondContact O-N 3.23Å |
| 935 | N | 70.4 | Confident | 62.5 | Low | 105 Ų | 105 | 69.1 Ų | 69.1 | 56% | 0.561 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | 2.1 | 179.8 | -64.6 | -31.7 | 0 | 0 | 0 | 113.9 | R905 D933 L937 | R905-N935 PolarHBondContact NH1-OD1 2.97Å; D933-N935 PolarHBondContact O-N 3.18Å; N935-L937 PolarHBondContact O-N 3.5Å |
| 936 | T | 77.1 | Confident | 63.9 | Low | 47 Ų | 47 | 63.8 Ų | 63.8 | 29% | 0.288 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 131.5 | 173.7 | 37.4 | 0 | 0 | 0 | 0 | 110.3 | Q903 V904 L932 D933 | Q903-T936 VanDerWaalsContact CA-O 3.29Å; Q903-T936 WeakPolarHBondContact CA-O 3.44Å; V904-T936 WeakPolarHBondContact CG2-OG1 3.5Å; V904-T936 PolarHBondContact N-O 3.43Å; L932-T936 HydrophobicContact CD2-CG2 4.08Å; D933-T936 HydrophobicContact CB-CG2 4.4Å; D933-T936 WeakPolarHBondContact O-CB 3.35Å; D933-T936 PolarHBondContact O-N 2.87Å; D933-T936 PolarHBondContact O-OG1 2.85Å |
| 937 | L | 72.1 | Confident | 65.2 | Low | 126 Ų | 126 | 57.6 Ų | 57.6 | 66% | 0.66 | 33% | 0.327 | S | S | * | . | B | Isolated β-bridge | trans | -74.7 | 131.1 | 178.9 | -69.4 | 166.9 | 0 | 0 | 0 | 109.4 | V902 Q903 N935 | V902-L937 HydrophobicContact CG1-CD2 3.89Å; V902-L937 WeakPolarHBondContact O-CA 3.28Å; Q903-L937 HydrophobicContact CG-CD2 3.84Å; N935-L937 PolarHBondContact O-N 3.5Å |
| 938 | L | 70.2 | Confident | 66 | Low | 9 Ų | 9 | 55.3 Ų | 55.3 | 5% | 0.047 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -79.1 | 136.7 | 167.9 | -66.3 | 168.8 | 0 | 0 | 0 | 108 | P901 V902 Q903 V904 V907 W929 D940 L943 Y964 L974 | P901-L938 HydrophobicContact CB-CD1 3.98Å; V902-L938 PolarHBondContact O-N 3Å; Q903-L938 WeakPolarHBondContact O-CD1 3.4Å; V904-L938 HydrophobicContact CG2-CD2 3.94Å; V904-L938 HydrophobicContact CG2-CG 4.32Å; V907-L938 HydrophobicContact CG2-CD1 3.75Å; W929-L938 HydrophobicContact CH2-CD2 3.7Å; W929-L938 HydrophobicContact CZ3-CD2 3.52Å; L938-D940 PolarHBondContact O-N 3.13Å; L938-L943 HydrophobicContact CB-CD1 4.19Å; L938-L943 HydrophobicContact CD1-CD1 4.44Å; L938-Y964 HydrophobicContact CD2-CE2 4.23Å; L938-L974 HydrophobicContact CD2-CD1 4.11Å |
| 939 | D | 65.6 | Low | 66.9 | Low | 100 Ų | 100 | 53.2 Ų | 53.2 | 54% | 0.535 | 31% | 0.306 | S | S | . | . | trans | -84.2 | 101.1 | 172.9 | -168 | -11.7 | 0 | 0 | 0 | 108.8 | G941 V942 | D939-G941 PolarHBondContact O-N 2.84Å; D939-G941 PolarHBondContact OD1-N 2.98Å; D939-V942 HydrophobicContact CB-CB 4.47Å; D939-V942 HydrophobicContact CB-CG2 3.86Å; D939-V942 PolarHBondContact O-N 2.68Å | ||
| 940 | D | 61.4 | Low | 67.6 | Low | 60 Ų | 60 | 52.4 Ų | 52.4 | 32% | 0.321 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.4 | -30.3 | 177.8 | -76.6 | -4.2 | 0 | 0 | 0 | 112.9 | L938 V942 | L938-D940 PolarHBondContact O-N 3.13Å; D940-V942 VanDerWaalsContact C-N 3.26Å; D940-V942 PolarHBondContact O-N 2.95Å |
| 941 | G | 61.4 | Low | 68.1 | Low | 54 Ų | 54 | 49.7 Ų | 49.7 | 56% | 0.557 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -16.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | D939 | D939-G941 PolarHBondContact O-N 2.84Å; D939-G941 PolarHBondContact OD1-N 2.98Å |
| 942 | V | 61.6 | Low | 68.8 | Low | 21 Ų | 21 | 45.6 Ų | 45.6 | 13% | 0.127 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106 | -13.1 | -173.9 | -165.1 | 0 | 0 | 0 | 0 | 111.7 | D939 D940 Y964 D965 Y968 | D939-V942 HydrophobicContact CB-CB 4.47Å; D939-V942 HydrophobicContact CB-CG2 3.86Å; D939-V942 PolarHBondContact O-N 2.68Å; D940-V942 VanDerWaalsContact C-N 3.26Å; D940-V942 PolarHBondContact O-N 2.95Å; V942-Y964 HydrophobicContact CB-CD1 4.1Å; V942-Y964 HydrophobicContact CB-CE1 3.86Å; V942-Y964 HydrophobicContact CG1-CD1 3.36Å; V942-Y964 HydrophobicContact CG1-CE1 3.57Å; V942-Y964 HydrophobicContact CG1-CG 4.25Å; V942-D965 HydrophobicContact CG1-CB 3.59Å; V942-D965 PolarHBondContact O-N 2.95Å; V942-Y968 HydrophobicContact CG1-CD2 4.07Å; V942-Y968 HydrophobicContact CG1-CE2 4.09Å |
| 943 | L | 65.7 | Low | 69.6 | Low | 16 Ų | 16 | 43.9 Ų | 43.9 | 8% | 0.084 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 122.6 | 177 | -67.6 | 175.3 | 0 | 0 | 0 | 111 | P901 L938 F962 C963 Y964 L974 | P901-L943 HydrophobicContact CG-CD1 3.93Å; L938-L943 HydrophobicContact CB-CD1 4.19Å; L938-L943 HydrophobicContact CD1-CD1 4.44Å; L943-F962 HydrophobicContact CD2-CB 4.25Å; L943-C963 WeakPolarHBondContact CA-O 3.46Å; L943-Y964 HydrophobicContact CD2-CD2 3.8Å; L943-Y964 HydrophobicContact CD2-CE2 3.65Å; L943-Y964 HydrophobicContact CG-CE2 4.49Å; L943-L974 HydrophobicContact CD2-CD1 3.64Å |
| 944 | Q | 65.8 | Low | 70.1 | Confident | 23 Ų | 23 | 38 Ų | 38 | 11% | 0.107 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 129.6 | 173.1 | -178.4 | 179.8 | 9.3 | 0 | 0 | 110.4 | F962 C963 S1070 | Q944-F962 CarbonylContact O-C 3.56Å; Q944-F962 VanDerWaalsContact O-CA 3.29Å; Q944-F962 WeakPolarHBondContact O-CA 3.2Å; Q944-C963 PolarHBondContact N-O 3.48Å; Q944-C963 PolarHBondContact O-N 2.9Å; Q944-C963 PolarHBondContact O-SG 2.93Å; Q944-S1070 PolarHBondContact NE2-OG 2.85Å |
| 945 | L | 71.1 | Confident | 70.6 | Confident | 17 Ų | 17 | 34.3 Ų | 34.3 | 9% | 0.089 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 130.1 | 174.2 | -175.8 | 71.1 | 0 | 0 | 0 | 110.4 | L960 F962 W1068 | L945-L960 HydrophobicContact CD1-CB 3.98Å; L945-L960 HydrophobicContact CD1-CD2 4.38Å; L945-F962 HydrophobicContact CB-CD1 4.27Å; L945-F962 HydrophobicContact CB-CE1 3.91Å; L945-F962 HydrophobicContact CD1-CD1 4.14Å; L945-F962 HydrophobicContact CD1-CE1 3.41Å; L945-F962 VanDerWaalsContact CD1-CE1 3.41Å; L945-F962 HydrophobicContact CD1-CZ 3.69Å; L945-F962 HydrophobicContact CG-CE1 4.26Å; L945-W1068 WeakPolarHBondContact CD2-O 3.43Å |
| 946 | V | 67 | Low | 70.8 | Confident | 7 Ų | 7 | 29.8 Ų | 29.8 | 4% | 0.042 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 124.4 | 175.9 | -179 | 0 | 0 | 0 | 0 | 109.1 | P394 L948 Y961 C963 | P394-V946 VanDerWaalsContact CD-CG1 3.48Å; P394-V946 HydrophobicContact CG-CG1 3.96Å; V946-L948 HydrophobicContact CG1-CD2 4.49Å; V946-Y961 PolarHBondContact N-O 3.36Å; V946-C963 HydrophobicContact CG2-CB 3.87Å; V946-C963 WeakPolarHBondContact CG2-SG 3.21Å |
| 947 | S | 69.4 | Low | 70.6 | Confident | 11 Ų | 11 | 27.6 Ų | 27.6 | 8% | 0.077 | 17% | 0.165 | C | C | . | . | trans | -92.9 | 118.6 | 177.2 | -166.8 | 0 | 0 | 0 | 0 | 110.2 | S949 D1090 | S947-S949 PolarHBondContact OG-O 2.91Å; S947-S949 PolarHBondContact OG-OG 3.15Å; S947-D1090 WeakPolarHBondContact CB-OD1 3.23Å; S947-D1090 PolarHBondContact OG-OD1 3.09Å | ||
| 948 | L | 68.9 | Low | 70.4 | Confident | 24 Ų | 24 | 22 Ų | 22 | 13% | 0.126 | 14% | 0.136 | C | C | . | . | trans | -88.2 | -15.8 | 171.3 | -62.4 | -174.8 | 0 | 0 | 0 | 112.3 | I385 P394 S395 V946 Y961 | I385-L948 HydrophobicContact CD1-CD2 4.28Å; I385-L948 HydrophobicContact CG1-CD2 4.13Å; P394-L948 HydrophobicContact CG-CD2 4.33Å; S395-L948 VanDerWaalsContact CB-O 3.22Å; S395-L948 WeakPolarHBondContact CB-O 3.24Å; S395-L948 PolarHBondContact OG-O 3.4Å; V946-L948 HydrophobicContact CG1-CD2 4.49Å; L948-Y961 HydrophobicContact CD1-CD1 4.04Å; L948-Y961 HydrophobicContact CD1-CD2 3.59Å; L948-Y961 HydrophobicContact CD1-CE1 3.85Å; L948-Y961 HydrophobicContact CD1-CE2 3.39Å; L948-Y961 HydrophobicContact CD1-CG 3.92Å; L948-Y961 HydrophobicContact CG-CD2 3.95Å; L948-Y961 HydrophobicContact CG-CE2 4.21Å; L948-Y961 HydrophobicContact CG-CG 4.23Å | ||
| 949 | S | 73.2 | Confident | 70.5 | Confident | 26 Ų | 26 | 22.4 Ų | 22.4 | 18% | 0.182 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -84 | 129.9 | 177.1 | 45.5 | 0 | 0 | 0 | 0 | 111 | S947 N955 | S947-S949 PolarHBondContact OG-O 2.91Å; S947-S949 PolarHBondContact OG-OG 3.15Å; S949-N955 WeakPolarHBondContact OG-CB 3.41Å |
| 950 | P | 75.8 | Confident | 71 | Confident | 3 Ų | 3 | 17.9 Ų | 17.9 | 2% | 0.019 | 11% | 0.114 | C | C | . | . | trans | -66.7 | 155.2 | 172.4 | 31.7 | -37.9 | 0 | 0 | 0 | 110.8 | I397 T398 L401 C952 L953 | I397-P950 HydrophobicContact CG2-CG 3.91Å; T398-P950 HydrophobicContact CG2-CB 4.38Å; T398-P950 VanDerWaalsContact OG1-CA 3.23Å; T398-P950 WeakPolarHBondContact OG1-CA 3.42Å; T398-P950 WeakPolarHBondContact OG1-CB 3.47Å; L401-P950 HydrophobicContact CD1-CG 4.21Å; P950-C952 PolarHBondContact O-N 3.18Å; P950-L953 HydrophobicContact CG-CB 3.8Å; P950-L953 HydrophobicContact CG-CD1 3.68Å; P950-L953 HydrophobicContact CG-CG 3.81Å; P950-L953 CarbonylContact O-C 3.5Å; P950-L953 PolarHBondContact O-N 2.9Å | ||
| 951 | S | 70.4 | Confident | 71.6 | Confident | 27 Ų | 27 | 16.6 Ų | 16.6 | 19% | 0.189 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -23.8 | 178.5 | 55.1 | 0 | 0 | 0 | 0 | 115 | L402 L953 N1089 | L402-S951 WeakPolarHBondContact CD2-OG 3.32Å; S951-L953 VanDerWaalsContact C-N 3.31Å; S951-N1089 WeakPolarHBondContact CB-ND2 3.44Å |
| 952 | C | 77.9 | Confident | 72.1 | Confident | 1 Ų | 1 | 14.2 Ų | 14.2 | 1% | 0.007 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 1.2 | 175.6 | 61.5 | 0 | 0 | 0 | 0 | 113.9 | P497 A523 N524 P526 P950 | P497-C952 WeakPolarHBondContact CB-O 3.43Å; A523-C952 WeakPolarHBondContact O-CB 3.24Å; N524-C952 WeakPolarHBondContact O-CB 3.24Å; P526-C952 HydrophobicContact CG-CB 4.4Å; P950-C952 PolarHBondContact O-N 3.18Å |
| 953 | L | 81.4 | Confident | 72.4 | Confident | 11 Ų | 11 | 13.4 Ų | 13.4 | 6% | 0.058 | 8% | 0.075 | C | C | . | . | S | Bend | trans | -129.4 | 129 | 170.5 | -63.3 | 172.3 | 0 | 0 | 0 | 109.8 | L401 I468 P526 V527 P950 S951 | L401-L953 HydrophobicContact CD1-CD1 4.14Å; I468-L953 HydrophobicContact CG2-CD2 3.94Å; P526-L953 HydrophobicContact CG-CD2 3.88Å; P526-L953 HydrophobicContact CG-CG 4.31Å; V527-L953 HydrophobicContact CG2-CD2 3.99Å; P950-L953 HydrophobicContact CG-CB 3.8Å; P950-L953 HydrophobicContact CG-CD1 3.68Å; P950-L953 HydrophobicContact CG-CG 3.81Å; P950-L953 CarbonylContact O-C 3.5Å; P950-L953 PolarHBondContact O-N 2.9Å; S951-L953 VanDerWaalsContact C-N 3.31Å |
| 954 | P | 78.5 | Confident | 72.4 | Confident | 8 Ų | 8 | 14.4 Ų | 14.4 | 5% | 0.052 | 8% | 0.078 | C | C | . | . | trans | -68.6 | 140.7 | -176.6 | 29.1 | -36.1 | 0 | 0 | 0 | 113.1 | I495 R570 C1271 | I495-P954 HydrophobicContact CB-CG 4.4Å; I495-P954 HydrophobicContact CG2-CB 4.05Å; I495-P954 HydrophobicContact CG2-CG 3.19Å; R570-P954 VanDerWaalsContact NH2-CD 3.28Å; P954-C1271 WeakPolarHBondContact CB-SG 3.38Å | ||
| 955 | N | 77.8 | Confident | 71.9 | Confident | 24 Ų | 24 | 15.8 Ų | 15.8 | 13% | 0.128 | 9% | 0.086 | C | C | . | . | trans | -79.6 | 122.3 | 174.3 | -171.2 | -5 | 0 | 0 | 0 | 111 | S949 G957 D1090 H1093 | S949-N955 WeakPolarHBondContact OG-CB 3.41Å; N955-G957 PolarHBondContact OD1-N 2.89Å; N955-D1090 PolarHBondContact ND2-O 3.4Å; N955-H1093 PolarHBondContact O-N 3.36Å; N955-H1093 VanDerWaalsContact O-N 3.12Å | ||
| 956 | Y | 74.4 | Confident | 70.8 | Confident | 11 Ų | 11 | 18.6 Ų | 18.6 | 4% | 0.043 | 11% | 0.105 | C | C | . | . | trans | -77.7 | -22.9 | 177.9 | -66.8 | -93.3 | 0 | 0 | 0 | 113 | E474 L477 I495 R570 T958 L1094 | E474-Y956 PolarHBondContact OE1-OH 3.03Å; L477-Y956 HydrophobicContact CD2-CD1 4.47Å; L477-Y956 HydrophobicContact CD2-CE1 3.92Å; I495-Y956 HydrophobicContact CD1-CD1 4.46Å; I495-Y956 HydrophobicContact CD1-CE1 3.5Å; I495-Y956 HydrophobicContact CG2-CE1 3.99Å; R570-Y956 PolarHBondContact NH1-OH 3.32Å; Y956-T958 VanDerWaalsContact C-N 3.25Å; Y956-T958 PolarHBondContact O-N 2.96Å; Y956-L1094 HydrophobicContact CD1-CB 4.47Å; Y956-L1094 HydrophobicContact CD1-CD2 3.91Å | ||
| 957 | G | 72.5 | Confident | 69.9 | Low | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.01 | 13% | 0.133 | C | C | . | . | trans | 73.9 | 9.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | N955 V959 L1095 | N955-G957 PolarHBondContact OD1-N 2.89Å; G957-V959 VanDerWaalsContact C-N 3.31Å; G957-V959 PolarHBondContact O-N 3.33Å; G957-L1095 WeakPolarHBondContact O-CD1 3.22Å | ||
| 958 | T | 69 | Low | 68.7 | Low | 8 Ų | 8 | 31.6 Ų | 31.6 | 5% | 0.049 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -63.4 | -39.4 | -178.4 | 57.1 | 0 | 0 | 0 | 0 | 111.3 | S473 F476 Y956 R1013 | S473-T958 PolarHBondContact OG-OG1 3.46Å; F476-T958 HydrophobicContact CB-CG2 3.97Å; F476-T958 HydrophobicContact CD1-CG2 3.38Å; F476-T958 HydrophobicContact CE1-CG2 4.09Å; F476-T958 HydrophobicContact CG-CG2 3.81Å; Y956-T958 VanDerWaalsContact C-N 3.25Å; Y956-T958 PolarHBondContact O-N 2.96Å; T958-R1013 PolarHBondContact O-NH2 2.88Å |
| 959 | V | 72 | Confident | 67.4 | Low | 18 Ų | 18 | 35.9 Ų | 35.9 | 11% | 0.109 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -133.7 | 120.9 | 171.9 | -177.3 | 0 | 0 | 0 | 0 | 107.8 | G957 Y961 T975 V979 | G957-V959 VanDerWaalsContact C-N 3.31Å; G957-V959 PolarHBondContact O-N 3.33Å; V959-Y961 HydrophobicContact CB-CE2 4.24Å; V959-Y961 HydrophobicContact CG1-CD2 4.43Å; V959-Y961 HydrophobicContact CG1-CE2 3.91Å; V959-T975 HydrophobicContact CG1-CG2 3.93Å; V959-V979 HydrophobicContact CG2-CG2 3.99Å |
| 960 | L | 76.2 | Confident | 66.1 | Low | 5 Ų | 5 | 38.2 Ų | 38.2 | 3% | 0.026 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 132.5 | 173.7 | -58.3 | -173.4 | 0 | 0 | 0 | 109.1 | L945 F962 T975 W976 P1092 | L945-L960 HydrophobicContact CD1-CB 3.98Å; L945-L960 HydrophobicContact CD1-CD2 4.38Å; L960-F962 HydrophobicContact CB-CE2 3.73Å; L960-F962 HydrophobicContact CB-CZ 3.79Å; L960-F962 HydrophobicContact CD1-CZ 4.17Å; L960-T975 CarbonylContact O-C 3.56Å; L960-T975 WeakPolarHBondContact O-CA 3.31Å; L960-W976 HydrophobicContact CB-CE3 4.35Å; L960-W976 HydrophobicContact CD1-CE3 3.64Å; L960-W976 HydrophobicContact CD1-CZ3 3.72Å; L960-W976 HydrophobicContact CG-CE3 4.1Å; L960-W976 HydrophobicContact CG-CZ3 4.48Å; L960-W976 PolarHBondContact N-O 3.45Å; L960-W976 PolarHBondContact O-N 2.98Å; L960-P1092 HydrophobicContact CD2-CB 4.3Å |
| 961 | Y | 72.8 | Confident | 64.6 | Low | 33 Ų | 33 | 39.5 Ų | 39.5 | 13% | 0.129 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 130.6 | 178 | -68.3 | -97.2 | 0 | 0 | 0 | 109.2 | I385 V946 L948 V959 L974 T975 | I385-Y961 HydrophobicContact CD1-CD1 4.3Å; V946-Y961 PolarHBondContact N-O 3.36Å; L948-Y961 HydrophobicContact CD1-CD1 4.04Å; L948-Y961 HydrophobicContact CD1-CD2 3.59Å; L948-Y961 HydrophobicContact CD1-CE1 3.85Å; L948-Y961 HydrophobicContact CD1-CE2 3.39Å; L948-Y961 HydrophobicContact CD1-CG 3.92Å; L948-Y961 HydrophobicContact CG-CD2 3.95Å; L948-Y961 HydrophobicContact CG-CE2 4.21Å; L948-Y961 HydrophobicContact CG-CG 4.23Å; V959-Y961 HydrophobicContact CB-CE2 4.24Å; V959-Y961 HydrophobicContact CG1-CD2 4.43Å; V959-Y961 HydrophobicContact CG1-CE2 3.91Å; Y961-L974 CarbonylContact C-O 3.35Å; Y961-L974 WeakPolarHBondContact CA-O 3.37Å; Y961-T975 HydrophobicContact CD1-CG2 3.47Å; Y961-T975 VanDerWaalsContact CD1-CG2 3.47Å; Y961-T975 HydrophobicContact CE1-CG2 3.33Å; Y961-T975 HydrophobicContact CG-CG2 4.26Å |
| 962 | F | 73.7 | Confident | 63.8 | Low | 3 Ų | 3 | 38.8 Ų | 38.8 | 1% | 0.013 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 146.5 | 176.3 | -62.4 | -73.4 | 0 | 0 | 0 | 110.3 | P901 L943 Q944 L945 L960 G973 L974 W976 W1068 | P901-F962 HydrophobicContact CG-CD2 4.5Å; P901-F962 HydrophobicContact CG-CE2 4.34Å; L943-F962 HydrophobicContact CD2-CB 4.25Å; Q944-F962 CarbonylContact O-C 3.56Å; Q944-F962 VanDerWaalsContact O-CA 3.29Å; Q944-F962 WeakPolarHBondContact O-CA 3.2Å; L945-F962 HydrophobicContact CB-CD1 4.27Å; L945-F962 HydrophobicContact CB-CE1 3.91Å; L945-F962 HydrophobicContact CD1-CD1 4.14Å; L945-F962 HydrophobicContact CD1-CE1 3.41Å; L945-F962 VanDerWaalsContact CD1-CE1 3.41Å; L945-F962 HydrophobicContact CD1-CZ 3.69Å; L945-F962 HydrophobicContact CG-CE1 4.26Å; L960-F962 HydrophobicContact CB-CE2 3.73Å; L960-F962 HydrophobicContact CB-CZ 3.79Å; L960-F962 HydrophobicContact CD1-CZ 4.17Å; F962-G973 CarbonylContact O-C 3.57Å; F962-G973 WeakPolarHBondContact O-CA 3.39Å; F962-L974 HydrophobicContact CB-CB 3.91Å; F962-L974 PolarHBondContact N-O 2.98Å; F962-L974 PolarHBondContact O-N 2.94Å; F962-W976 HydrophobicContact CD2-CB 4.25Å; F962-W976 HydrophobicContact CE2-CB 3.72Å; F962-W976 HydrophobicContact CE2-CG 4.46Å; F962-W1068 HydrophobicContact CD1-CZ3 4.16Å; F962-W1068 AromaticContact CE1-CE3 3.56Å; F962-W1068 HydrophobicContact CE1-CE3 3.56Å; F962-W1068 AromaticContact CE1-CH2 3.96Å; F962-W1068 HydrophobicContact CE1-CH2 3.96Å; F962-W1068 AromaticContact CE1-CZ3 3.05Å; F962-W1068 HydrophobicContact CE1-CZ3 3.05Å; F962-W1068 HydrophobicContact CE2-CH2 4.2Å; F962-W1068 HydrophobicContact CE2-CZ3 4.08Å; F962-W1068 AromaticContact CZ-CE3 3.75Å; F962-W1068 HydrophobicContact CZ-CE3 3.75Å; F962-W1068 AromaticContact CZ-CH2 3.41Å; F962-W1068 HydrophobicContact CZ-CH2 3.41Å; F962-W1068 VanDerWaalsContact CZ-CH2 3.41Å; F962-W1068 AromaticContact CZ-CZ3 2.99Å; F962-W1068 HydrophobicContact CZ-CZ3 2.99Å |
| 963 | C | 67.7 | Low | 63.1 | Low | 4 Ų | 4 | 39 Ų | 39 | 3% | 0.027 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 153 | 163.1 | 55.8 | 0 | 0 | 0 | 0 | 110.8 | L943 Q944 V946 L971 | L943-C963 WeakPolarHBondContact CA-O 3.46Å; Q944-C963 PolarHBondContact N-O 3.48Å; Q944-C963 PolarHBondContact O-N 2.9Å; Q944-C963 PolarHBondContact O-SG 2.93Å; V946-C963 HydrophobicContact CG2-CB 3.87Å; V946-C963 WeakPolarHBondContact CG2-SG 3.21Å; C963-L971 HydrophobicContact CB-CD2 3.45Å; C963-L971 VanDerWaalsContact CB-CD2 3.45Å |
| 964 | Y | 65.1 | Low | 62.7 | Low | 38 Ų | 38 | 38.5 Ų | 38.5 | 15% | 0.149 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 141 | 161.6 | -107.4 | -103.2 | 0 | 0 | 0 | 110.1 | W929 L938 V942 L943 L974 | W929-Y964 AromaticContact CH2-CD2 3.94Å; W929-Y964 HydrophobicContact CH2-CD2 3.94Å; W929-Y964 AromaticContact CH2-CE2 3.28Å; W929-Y964 HydrophobicContact CH2-CE2 3.28Å; W929-Y964 AromaticContact CH2-CZ 3.73Å; W929-Y964 AromaticContact CZ2-CD2 3.56Å; W929-Y964 HydrophobicContact CZ2-CD2 3.56Å; W929-Y964 AromaticContact CZ2-CE2 3.43Å; W929-Y964 HydrophobicContact CZ2-CE2 3.43Å; W929-Y964 VanDerWaalsContact CZ2-CE2 3.43Å; W929-Y964 HydrophobicContact CZ2-CG 4.34Å; L938-Y964 HydrophobicContact CD2-CE2 4.23Å; V942-Y964 HydrophobicContact CB-CD1 4.1Å; V942-Y964 HydrophobicContact CB-CE1 3.86Å; V942-Y964 HydrophobicContact CG1-CD1 3.36Å; V942-Y964 HydrophobicContact CG1-CE1 3.57Å; V942-Y964 HydrophobicContact CG1-CG 4.25Å; L943-Y964 HydrophobicContact CD2-CD2 3.8Å; L943-Y964 HydrophobicContact CD2-CE2 3.65Å; L943-Y964 HydrophobicContact CG-CE2 4.49Å; Y964-L974 HydrophobicContact CD2-CD1 4.27Å; Y964-L974 HydrophobicContact CE2-CD1 4.24Å |
| 965 | D | 54.8 | Low | 62.3 | Low | 51 Ų | 51 | 38.6 Ų | 38.6 | 27% | 0.273 | 20% | 0.2 | S | C | . | . | trans | -43.6 | 126.2 | 178.1 | -175 | -18.5 | 0 | 0 | 0 | 112.2 | V942 H967 Y968 | V942-D965 HydrophobicContact CG1-CB 3.59Å; V942-D965 PolarHBondContact O-N 2.95Å; D965-H967 PolarHBondContact O-N 2.96Å; D965-H967 IonicContact OD1-CD2 3.68Å; D965-H967 PolarHBondContact OD1-CD2 3.14Å; D965-H967 VanDerWaalsContact OD1-CD2 3.23Å; D965-H967 IonicContact OD1-CG 3.73Å; D965-H967 PolarHBondContact OD1-N 3.37Å; D965-H967 IonicContact OD2-CD2 2.84Å; D965-Y968 HydrophobicContact CB-CD2 4.36Å; D965-Y968 PolarHBondContact O-N 3.01Å | ||
| 966 | P | 49.4 | Very low | 62.2 | Low | 76 Ų | 76 | 37.6 Ų | 37.6 | 49% | 0.494 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -12.4 | -179.7 | 25.9 | -36.7 | 0 | 0 | 0 | 114.9 | Y968 | P966-Y968 CarbonylContact O-C 3.5Å; P966-Y968 PolarHBondContact O-N 2.86Å |
| 967 | H | 47.2 | Very low | 62 | Low | 138 Ų | 138 | 37.7 Ų | 37.7 | 64% | 0.639 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60 | -19.6 | 166.6 | -72.4 | -59.1 | 0 | 0 | 0 | 112.3 | D965 | D965-H967 PolarHBondContact O-N 2.96Å; D965-H967 IonicContact OD1-CD2 3.68Å; D965-H967 PolarHBondContact OD1-CD2 3.14Å; D965-H967 VanDerWaalsContact OD1-CD2 3.23Å; D965-H967 IonicContact OD1-CG 3.73Å; D965-H967 PolarHBondContact OD1-N 3.37Å; D965-H967 IonicContact OD2-CD2 2.84Å |
| 968 | Y | 44.1 | Very low | 61.8 | Low | 154 Ų | 154 | 40.6 Ų | 40.6 | 60% | 0.604 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -102.7 | 112.2 | 162.5 | -56.4 | -84.3 | 0 | 0 | 0 | 107.8 | V942 D965 P966 Q970 | V942-Y968 HydrophobicContact CG1-CD2 4.07Å; V942-Y968 HydrophobicContact CG1-CE2 4.09Å; D965-Y968 HydrophobicContact CB-CD2 4.36Å; D965-Y968 PolarHBondContact O-N 3.01Å; P966-Y968 CarbonylContact O-C 3.5Å; P966-Y968 PolarHBondContact O-N 2.86Å; Y968-Q970 PolarHBondContact O-N 2.72Å |
| 969 | S | 40.6 | Very low | 61.3 | Low | 114 Ų | 114 | 42.7 Ų | 42.7 | 80% | 0.797 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -70.2 | 31.6 | -162.9 | 60 | 0 | 0 | 0 | 0 | 116.8 | ||
| 970 | Q | 46 | Very low | 60.3 | Low | 75 Ų | 75 | 45.9 Ų | 45.9 | 35% | 0.35 | 24% | 0.24 | S | C | . | . | trans | -139.1 | 92.2 | 179.6 | -64.3 | -172.4 | -0.1 | 0 | 0 | 111.1 | Y968 S972 | Y968-Q970 PolarHBondContact O-N 2.72Å; Q970-S972 PolarHBondContact O-N 2.96Å; Q970-S972 PolarHBondContact O-OG 3.17Å | ||
| 971 | L | 44.3 | Very low | 58.6 | Low | 29 Ų | 29 | 49.7 Ų | 49.7 | 15% | 0.152 | 27% | 0.268 | C | S | . | . | trans | -58.8 | 101.2 | 165.3 | -78.2 | 154.5 | 0 | 0 | 0 | 108.7 | R386 V391 L912 C963 | R386-L971 HydrophobicContact CG-CB 4.32Å; R386-L971 PolarHBondContact NE-O 3.06Å; R386-L971 PolarHBondContact NH2-O 2.8Å; V391-L971 HydrophobicContact CB-CD1 4.48Å; V391-L971 HydrophobicContact CG1-CD1 3.42Å; V391-L971 VanDerWaalsContact CG1-CD1 3.42Å; V391-L971 HydrophobicContact CG1-CD2 3.72Å; V391-L971 HydrophobicContact CG1-CG 4.15Å; V391-L971 HydrophobicContact CG2-CD1 4.24Å; L912-L971 VanDerWaalsContact CD1-O 3.29Å; L912-L971 WeakPolarHBondContact CD1-O 3.23Å; C963-L971 HydrophobicContact CB-CD2 3.45Å; C963-L971 VanDerWaalsContact CB-CD2 3.45Å | ||
| 972 | S | 55.5 | Low | 56.6 | Low | 13 Ų | 13 | 55.1 Ų | 55.1 | 9% | 0.091 | 29% | 0.294 | C | S | . | . | trans | -106.3 | 114.4 | 165.1 | 35 | 0 | 0 | 0 | 0 | 105.6 | W929 Q970 | W929-S972 VanDerWaalsContact CD1-CB 3.43Å; W929-S972 PolarHBondContact NE1-OG 3.38Å; Q970-S972 PolarHBondContact O-N 2.96Å; Q970-S972 PolarHBondContact O-OG 3.17Å | ||
| 973 | G | 62.8 | Low | 54.3 | Low | 4 Ų | 4 | 58.9 Ų | 58.9 | 4% | 0.041 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 136 | 178.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | C910 F962 | C910-G973 WeakPolarHBondContact CB-O 3.4Å; C910-G973 PolarHBondContact N-O 3.27Å; F962-G973 CarbonylContact O-C 3.57Å; F962-G973 WeakPolarHBondContact O-CA 3.39Å |
| 974 | L | 71.7 | Confident | 52.3 | Low | 1 Ų | 1 | 66.7 Ų | 66.7 | 1% | 0.005 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 127.6 | -179.5 | -81.9 | -174.2 | 0 | 0 | 0 | 107.4 | V907 P909 W929 L938 L943 Y961 F962 Y964 | V907-L974 HydrophobicContact CB-CD2 4.45Å; V907-L974 HydrophobicContact CG1-CB 3.42Å; V907-L974 VanDerWaalsContact CG1-CB 3.42Å; V907-L974 HydrophobicContact CG1-CD1 4.33Å; V907-L974 HydrophobicContact CG1-CD2 3.59Å; V907-L974 HydrophobicContact CG1-CG 3.9Å; P909-L974 HydrophobicContact CB-CD2 4.32Å; W929-L974 HydrophobicContact CD2-CD2 4.26Å; W929-L974 HydrophobicContact CZ2-CD1 4.44Å; L938-L974 HydrophobicContact CD2-CD1 4.11Å; L943-L974 HydrophobicContact CD2-CD1 3.64Å; Y961-L974 CarbonylContact C-O 3.35Å; Y961-L974 WeakPolarHBondContact CA-O 3.37Å; F962-L974 HydrophobicContact CB-CB 3.91Å; F962-L974 PolarHBondContact N-O 2.98Å; F962-L974 PolarHBondContact O-N 2.94Å; Y964-L974 HydrophobicContact CD2-CD1 4.27Å; Y964-L974 HydrophobicContact CE2-CD1 4.24Å |
| 975 | T | 71.6 | Confident | 50.4 | Low | 11 Ų | 11 | 69.5 Ų | 69.5 | 7% | 0.067 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 133.9 | -179.8 | 53.6 | 0 | 0 | 0 | 0 | 112.1 | V907 S908 V959 L960 Y961 | V907-T975 CarbonylContact C-O 3.38Å; V907-T975 WeakPolarHBondContact CA-O 3.31Å; V907-T975 VanDerWaalsContact CG1-O 3.23Å; V907-T975 WeakPolarHBondContact CG1-O 3.35Å; S908-T975 VanDerWaalsContact CB-OG1 3.32Å; S908-T975 WeakPolarHBondContact CB-OG1 3.18Å; S908-T975 PolarHBondContact N-O 2.79Å; S908-T975 PolarHBondContact O-N 3.34Å; S908-T975 PolarHBondContact O-OG1 3.47Å; V959-T975 HydrophobicContact CG1-CG2 3.93Å; L960-T975 CarbonylContact O-C 3.56Å; L960-T975 WeakPolarHBondContact O-CA 3.31Å; Y961-T975 HydrophobicContact CD1-CG2 3.47Å; Y961-T975 VanDerWaalsContact CD1-CG2 3.47Å; Y961-T975 HydrophobicContact CE1-CG2 3.33Å; Y961-T975 HydrophobicContact CG-CG2 4.26Å |
| 976 | W | 75.1 | Confident | 48.9 | Very low | 2 Ų | 2 | 72.7 Ų | 72.7 | 1% | 0.008 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 142.3 | -177.5 | -177.2 | 85.6 | 0 | 0 | 0 | 112.4 | N893 I896 P901 L960 F962 | N893-W976 VanDerWaalsContact C-CZ2 3.4Å; N893-W976 WeakPolarHBondContact O-CZ2 3.46Å; N893-W976 PolarHBondContact O-NE1 2.92Å; N893-W976 VanDerWaalsContact O-NE1 3.11Å; I896-W976 HydrophobicContact CG1-CH2 4.48Å; I896-W976 HydrophobicContact CG1-CZ3 4.2Å; P901-W976 HydrophobicContact CB-CG 4.47Å; L960-W976 HydrophobicContact CB-CE3 4.35Å; L960-W976 HydrophobicContact CD1-CE3 3.64Å; L960-W976 HydrophobicContact CD1-CZ3 3.72Å; L960-W976 HydrophobicContact CG-CE3 4.1Å; L960-W976 HydrophobicContact CG-CZ3 4.48Å; L960-W976 PolarHBondContact N-O 3.45Å; L960-W976 PolarHBondContact O-N 2.98Å; F962-W976 HydrophobicContact CD2-CB 4.25Å; F962-W976 HydrophobicContact CE2-CB 3.72Å; F962-W976 HydrophobicContact CE2-CG 4.46Å |
| 977 | P | 70.6 | Confident | 47.7 | Very low | 13 Ų | 13 | 73.4 Ų | 73.4 | 8% | 0.084 | 42% | 0.417 | C | S | . | . | S | Bend | cis | -63.2 | 159.6 | -9.8 | 28.1 | -34.8 | 0 | 0 | 0 | 111.3 | N893 V979 R1013 | N893-P977 WeakPolarHBondContact O-CB 3.48Å; P977-V979 PolarHBondContact O-N 3.39Å; P977-R1013 VanDerWaalsContact CG-CZ 3.42Å |
| 978 | K | 67.9 | Low | 46.6 | Very low | 63 Ų | 63 | 71 Ų | 71 | 27% | 0.274 | 41% | 0.412 | S | S | . | . | trans | -49.5 | 108.3 | 175.8 | -169 | 176.7 | -179.7 | 179.7 | 0 | 110.4 | E821 R905 D906 S908 V980 | E821-K978 WeakPolarHBondContact OE1-CE 3.18Å; E821-K978 IonicContact OE1-NZ 3.96Å; E821-K978 PolarHBondContact OE1-NZ 3.26Å; R905-K978 VanDerWaalsContact O-CD 3.24Å; R905-K978 WeakPolarHBondContact O-CD 3.31Å; D906-K978 PolarHBondContact O-N 3.34Å; S908-K978 WeakPolarHBondContact OG-CG 3.42Å; K978-V980 PolarHBondContact O-N 3.45Å | ||
| 979 | V | 58.2 | Low | 45.6 | Very low | 52 Ų | 52 | 72.2 Ų | 72.2 | 32% | 0.315 | 42% | 0.423 | S | S | . | . | trans | -79.2 | 121.5 | 171.9 | -175.7 | 0 | 0 | 0 | 0 | 106.3 | S908 V959 P977 S981 | S908-V979 PolarHBondContact OG-N 3.35Å; S908-V979 PolarHBondContact OG-O 2.89Å; V959-V979 HydrophobicContact CG2-CG2 3.99Å; P977-V979 PolarHBondContact O-N 3.39Å; V979-S981 PolarHBondContact O-N 2.94Å | ||
| 980 | V | 50.7 | Low | 44.7 | Very low | 84 Ų | 84 | 75.4 Ų | 75.4 | 51% | 0.509 | 43% | 0.426 | S | S | . | . | trans | -65.6 | 86 | 168.8 | -175 | 0 | 0 | 0 | 0 | 106.6 | K978 Q982 | K978-V980 PolarHBondContact O-N 3.45Å; V980-Q982 PolarHBondContact O-N 2.57Å | ||
| 981 | S | 40.2 | Very low | 43.7 | Very low | 86 Ų | 86 | 78.2 Ų | 78.2 | 60% | 0.601 | 44% | 0.442 | S | S | * | . | trans | -57.5 | 137.4 | 160.7 | 46.8 | 0 | 0 | 0 | 0 | 105.9 | V979 S983 | V979-S981 PolarHBondContact O-N 2.94Å; S981-S983 PolarHBondContact O-N 3.33Å | ||
| 982 | Q | 32.2 | Very low | 42.6 | Very low | 146 Ų | 146 | 84.8 Ų | 84.8 | 68% | 0.682 | 47% | 0.469 | S | S | * | . | trans | -47 | 114.3 | 162.7 | -73.4 | 175.4 | -20.3 | 0 | 0 | 106.1 | V980 I984 | V980-Q982 PolarHBondContact O-N 2.57Å; Q982-I984 PolarHBondContact O-N 3.32Å | ||
| 983 | S | 25.1 | Very low | 41.1 | Very low | 82 Ų | 82 | 91.3 Ų | 91.3 | 57% | 0.573 | 50% | 0.503 | S | S | * | . | trans | -51.5 | 115.1 | 162.7 | 49.7 | 0 | 0 | 0 | 0 | 104.4 | S981 N985 | S981-S983 PolarHBondContact O-N 3.33Å; S983-N985 PolarHBondContact O-N 3.06Å; S983-N985 PolarHBondContact OG-OD1 3.46Å | ||
| 984 | I | 26.3 | Very low | 39.3 | Very low | 168 Ų | 168 | 95.4 Ų | 95.4 | 86% | 0.862 | 53% | 0.527 | S | S | * | . | trans | -54.1 | 93 | 158.1 | -63.2 | 165.9 | 0 | 0 | 0 | 102.8 | Q982 S986 | Q982-I984 PolarHBondContact O-N 3.32Å; I984-S986 PolarHBondContact O-N 3.06Å | ||
| 985 | N | 23.5 | Very low | 37.1 | Very low | 97 Ų | 97 | 102.5 Ų | 102.5 | 52% | 0.519 | 57% | 0.565 | S | S | . | * | trans | -61.6 | 110.6 | -179.3 | -85.1 | -14.4 | 0 | 0 | 0 | 104.9 | S983 A987 T988 | S983-N985 PolarHBondContact O-N 3.06Å; S983-N985 PolarHBondContact OG-OD1 3.46Å; N985-A987 PolarHBondContact O-N 3.46Å; N985-T988 PolarHBondContact O-N 2.88Å; N985-T988 VanDerWaalsContact O-N 3.11Å | ||
| 986 | S | 24.5 | Very low | 35.1 | Very low | 119 Ų | 119 | 105.8 Ų | 105.8 | 83% | 0.832 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.7 | -6.8 | 170.5 | 46.2 | 0 | 0 | 0 | 0 | 113 | I984 | I984-S986 PolarHBondContact O-N 3.06Š|
| 987 | A | 23.6 | Very low | 33 | Very low | 90 Ų | 90 | 112 Ų | 112 | 74% | 0.744 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | -6.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | N985 | N985-A987 PolarHBondContact O-N 3.46Š|
| 988 | T | 23.4 | Very low | 31.1 | Very low | 87 Ų | 87 | 114.8 Ų | 114.8 | 53% | 0.534 | 63% | 0.625 | S | S | . | * | trans | -128.6 | 67.7 | 177.1 | 53.9 | 0 | 0 | 0 | 0 | 111.6 | N985 E990 | N985-T988 PolarHBondContact O-N 2.88Å; N985-T988 VanDerWaalsContact O-N 3.11Å; T988-E990 PolarHBondContact O-N 2.87Å | ||
| 989 | Q | 23.4 | Very low | 29.7 | Very low | 181 Ų | 181 | 113.7 Ų | 113.7 | 85% | 0.846 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | 12.3 | 164.3 | -78.9 | -177.3 | -24 | 0 | 0 | 113.7 | ||
| 990 | E | 23.1 | Very low | 28.5 | Very low | 181 Ų | 181 | 112.8 Ų | 112.8 | 85% | 0.846 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | -8.2 | -177.2 | -72.3 | -165.9 | 154.5 | 0 | 0 | 115.2 | T988 K992 | T988-E990 PolarHBondContact O-N 2.87Å; E990-K992 PolarHBondContact O-N 3.47Å |
| 991 | I | 23.5 | Very low | 27.7 | Very low | 134 Ų | 134 | 113.1 Ų | 113.1 | 69% | 0.687 | 62% | 0.615 | S | S | * | * | trans | -90.1 | 72.8 | 171.1 | -50.9 | 179.3 | 0 | 0 | 0 | 109.1 | ||||
| 992 | K | 22.5 | Very low | 27.8 | Very low | 166 Ų | 166 | 111.9 Ų | 111.9 | 72% | 0.722 | 60% | 0.6 | S | S | * | * | trans | -61.2 | 139.3 | 164 | -68.3 | 175.5 | 174.7 | 177.7 | 0 | 109.5 | E990 | E990-K992 PolarHBondContact O-N 3.47Š| ||
| 993 | N | 24.2 | Very low | 28.3 | Very low | 150 Ų | 150 | 105.8 Ų | 105.8 | 80% | 0.802 | 57% | 0.573 | S | S | * | * | S | Bend | trans | 75.4 | 21.8 | 151.6 | -60.5 | -3.8 | 0 | 0 | 0 | 120.6 | ||
| 994 | T | 24 | Very low | 29.3 | Very low | 91 Ų | 91 | 104 Ų | 104 | 56% | 0.558 | 56% | 0.56 | S | S | * | * | trans | -125.2 | 55.3 | 164.3 | 50.8 | 0 | 0 | 0 | 0 | 111.9 | I996 | T994-I996 CarbonylContact O-C 3.58Å; T994-I996 PolarHBondContact O-N 3.44Å; T994-I996 VanDerWaalsContact O-N 3.12Å | ||
| 995 | N | 24.8 | Very low | 30.7 | Very low | 150 Ų | 150 | 97.1 Ų | 97.1 | 80% | 0.802 | 52% | 0.524 | S | S | * | . | trans | -68 | 5.4 | 159.2 | -86.1 | -14.2 | 0 | 0 | 0 | 112.7 | Q997 | N995-Q997 PolarHBondContact O-N 3.05Š| ||
| 996 | I | 31.1 | Very low | 32.4 | Very low | 80 Ų | 80 | 93.7 Ų | 93.7 | 41% | 0.41 | 51% | 0.506 | S | S | . | . | trans | -64.1 | 84.3 | 147.3 | -39.3 | 171 | 0 | 0 | 0 | 105.5 | T994 N998 | T994-I996 CarbonylContact O-C 3.58Å; T994-I996 PolarHBondContact O-N 3.44Å; T994-I996 VanDerWaalsContact O-N 3.12Å; I996-N998 HydrophobicContact CG2-CB 4.34Å; I996-N998 WeakPolarHBondContact CG2-OD1 3.26Å; I996-N998 PolarHBondContact O-N 3.21Å | ||
| 997 | Q | 31.2 | Very low | 34 | Very low | 131 Ų | 131 | 88.7 Ų | 88.7 | 61% | 0.612 | 47% | 0.47 | S | S | * | . | trans | -57.1 | 97.1 | 139.5 | -78.9 | -172.6 | -13.1 | 0 | 0 | 102.6 | N995 E999 | N995-Q997 PolarHBondContact O-N 3.05Å; Q997-E999 PolarHBondContact O-N 3.5Å | ||
| 998 | N | 30.3 | Very low | 35.6 | Very low | 73 Ų | 73 | 89.2 Ų | 89.2 | 39% | 0.39 | 46% | 0.456 | S | S | . | . | trans | -52.3 | 122.2 | 167.8 | -80.4 | -46.9 | 0 | 0 | 0 | 101.9 | I996 C1000 D1001 | I996-N998 HydrophobicContact CG2-CB 4.34Å; I996-N998 WeakPolarHBondContact CG2-OD1 3.26Å; I996-N998 PolarHBondContact O-N 3.21Å; N998-C1000 HydrophobicContact CB-CB 4.1Å; N998-C1000 CarbonylContact O-C 3.56Å; N998-C1000 PolarHBondContact O-N 3.07Å; N998-D1001 WeakPolarHBondContact O-CA 3.48Å; N998-D1001 VanDerWaalsContact O-CB 3.31Å; N998-D1001 WeakPolarHBondContact O-CB 3.1Å; N998-D1001 PolarHBondContact O-N 2.89Å | ||
| 999 | E | 38.5 | Very low | 37.2 | Very low | 39 Ų | 39 | 90.5 Ų | 90.5 | 18% | 0.182 | 46% | 0.456 | C | S | . | . | G | 310 helix | trans | -57.7 | -21.6 | 176.3 | -66.3 | -177.2 | -172.5 | 0 | 0 | 108.5 | L562 W563 Q997 D1001 Q1002 V1003 | L562-E999 HydrophobicContact CD2-CB 3.63Å; L562-E999 WeakPolarHBondContact CD2-O 3.33Å; W563-E999 HydrophobicContact CZ2-CB 4.29Å; W563-E999 WeakPolarHBondContact CZ2-OE2 3.33Å; W563-E999 PolarHBondContact NE1-OE2 2.67Å; Q997-E999 PolarHBondContact O-N 3.5Å; E999-D1001 PolarHBondContact O-N 3.44Å; E999-Q1002 WeakPolarHBondContact O-CA 3.22Å; E999-Q1002 WeakPolarHBondContact O-CB 3.35Å; E999-Q1002 PolarHBondContact O-N 3.27Å; E999-V1003 PolarHBondContact O-N 3.12Å |
| 1000 | C | 31.6 | Very low | 38.5 | Very low | 33 Ų | 33 | 83 Ų | 83 | 22% | 0.223 | 42% | 0.421 | C | S | . | . | G | 310 helix | trans | -56.3 | -32.4 | 162.3 | -106.7 | 0 | 0 | 0 | 0 | 116.9 | D558 N998 Q1002 V1003 S1004 | D558-C1000 PolarHBondContact OD1-SG 3.3Å; N998-C1000 HydrophobicContact CB-CB 4.1Å; N998-C1000 CarbonylContact O-C 3.56Å; N998-C1000 PolarHBondContact O-N 3.07Å; C1000-Q1002 PolarHBondContact O-N 2.77Å; C1000-V1003 WeakPolarHBondContact O-CA 3.48Å; C1000-V1003 WeakPolarHBondContact O-CB 3.41Å; C1000-V1003 PolarHBondContact O-N 3.28Å; C1000-S1004 PolarHBondContact O-N 3.2Å; C1000-S1004 VanDerWaalsContact O-N 3.07Å |
| 1001 | D | 35.2 | Very low | 39.8 | Very low | 92 Ų | 92 | 74.5 Ų | 74.5 | 49% | 0.492 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | -60.8 | -25.2 | 169.1 | -68.5 | -21.5 | 0 | 0 | 0 | 110.6 | N998 E999 S1004 | N998-D1001 WeakPolarHBondContact O-CA 3.48Å; N998-D1001 VanDerWaalsContact O-CB 3.31Å; N998-D1001 WeakPolarHBondContact O-CB 3.1Å; N998-D1001 PolarHBondContact O-N 2.89Å; E999-D1001 PolarHBondContact O-N 3.44Å; D1001-S1004 WeakPolarHBondContact CA-OG 3.33Å; D1001-S1004 CarbonylContact O-C 2.97Å; D1001-S1004 PolarHBondContact O-N 2.92Å; D1001-S1004 PolarHBondContact O-OG 3.22Å |
| 1002 | Q | 41.9 | Very low | 41.4 | Very low | 60 Ų | 60 | 70.4 Ų | 70.4 | 28% | 0.28 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -76 | -20.6 | 168.9 | -47.7 | -176 | -0.4 | 0 | 0 | 113.1 | E999 C1000 | E999-Q1002 WeakPolarHBondContact O-CA 3.22Å; E999-Q1002 WeakPolarHBondContact O-CB 3.35Å; E999-Q1002 PolarHBondContact O-N 3.27Å; C1000-Q1002 PolarHBondContact O-N 2.77Å |
| 1003 | V | 42.1 | Very low | 43.8 | Very low | 18 Ų | 18 | 63.8 Ų | 63.8 | 11% | 0.109 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -40.9 | 169 | -175.5 | 0 | 0 | 0 | 0 | 109.6 | L562 L690 E999 C1000 F1005 | L562-V1003 HydrophobicContact CB-CG2 3.54Å; L562-V1003 HydrophobicContact CD1-CG2 3.7Å; L562-V1003 HydrophobicContact CD2-CG2 4.28Å; L562-V1003 HydrophobicContact CG-CG2 4.03Å; L690-V1003 HydrophobicContact CD2-CG1 4.07Å; E999-V1003 PolarHBondContact O-N 3.12Å; C1000-V1003 WeakPolarHBondContact O-CA 3.48Å; C1000-V1003 WeakPolarHBondContact O-CB 3.41Å; C1000-V1003 PolarHBondContact O-N 3.28Å; V1003-F1005 VanDerWaalsContact C-N 3.33Å; V1003-F1005 PolarHBondContact O-N 3.18Å |
| 1004 | S | 46.2 | Very low | 46.5 | Very low | 44 Ų | 44 | 56.8 Ų | 56.8 | 31% | 0.308 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -75.2 | 85.4 | 173 | 58.1 | 0 | 0 | 0 | 0 | 111 | C1000 D1001 N1006 | C1000-S1004 PolarHBondContact O-N 3.2Å; C1000-S1004 VanDerWaalsContact O-N 3.07Å; D1001-S1004 WeakPolarHBondContact CA-OG 3.33Å; D1001-S1004 CarbonylContact O-C 2.97Å; D1001-S1004 PolarHBondContact O-N 2.92Å; D1001-S1004 PolarHBondContact O-OG 3.22Å; S1004-N1006 PolarHBondContact O-N 3.21Å |
| 1005 | F | 56.4 | Low | 49.3 | Very low | 24 Ų | 24 | 52.7 Ų | 52.7 | 11% | 0.105 | 27% | 0.27 | C | S | . | . | trans | -36.9 | 119.7 | 164.3 | 176 | -100.4 | 0 | 0 | 0 | 111.9 | Y479 Q693 F755 V1003 P1007 M1010 | Y479-F1005 HydrophobicContact CD1-CD2 4.48Å; Y479-F1005 AromaticContact CD1-CE2 3.91Å; Y479-F1005 HydrophobicContact CD1-CE2 3.91Å; Y479-F1005 HydrophobicContact CD1-CZ 4.24Å; Y479-F1005 AromaticContact CD2-CD2 3.85Å; Y479-F1005 HydrophobicContact CD2-CD2 3.85Å; Y479-F1005 AromaticContact CD2-CE2 3.56Å; Y479-F1005 HydrophobicContact CD2-CE2 3.56Å; Y479-F1005 AromaticContact CE1-CD2 3.94Å; Y479-F1005 HydrophobicContact CE1-CD2 3.94Å; Y479-F1005 AromaticContact CE1-CE2 3.79Å; Y479-F1005 HydrophobicContact CE1-CE2 3.79Å; Y479-F1005 HydrophobicContact CE1-CG 4.41Å; Y479-F1005 HydrophobicContact CE1-CZ 4.16Å; Y479-F1005 AromaticContact CE2-CD2 3.22Å; Y479-F1005 HydrophobicContact CE2-CD2 3.22Å; Y479-F1005 AromaticContact CE2-CE2 3.44Å; Y479-F1005 HydrophobicContact CE2-CE2 3.44Å; Y479-F1005 VanDerWaalsContact CE2-CE2 3.44Å; Y479-F1005 HydrophobicContact CE2-CG 4.19Å; Y479-F1005 HydrophobicContact CG-CD2 4.45Å; Y479-F1005 AromaticContact CG-CE2 3.82Å; Y479-F1005 HydrophobicContact CG-CE2 3.82Å; Y479-F1005 HydrophobicContact CG-CZ 4.46Å; Y479-F1005 AromaticContact CZ-CD2 3.27Å; Y479-F1005 AromaticContact CZ-CE2 3.55Å; Y479-F1005 AromaticContact CZ-CG 3.82Å; Y479-F1005 WeakPolarHBondContact OH-CD2 3.47Å; Q693-F1005 VanDerWaalsContact NE2-N 3.17Å; F755-F1005 HydrophobicContact CE1-CD1 4.23Å; F755-F1005 VanDerWaalsContact CE1-O 3.27Å; F755-F1005 WeakPolarHBondContact CE1-O 3.18Å; F755-F1005 WeakPolarHBondContact CZ-O 3.44Å; V1003-F1005 VanDerWaalsContact C-N 3.33Å; V1003-F1005 PolarHBondContact O-N 3.18Å; F1005-P1007 HydrophobicContact CE1-CB 4.33Å; F1005-P1007 WeakPolarHBondContact O-CD 3.32Å; F1005-M1010 HydrophobicContact CE1-SD 4.28Å; F1005-M1010 HydrophobicContact CE2-CG 4.44Å; F1005-M1010 HydrophobicContact CZ-CB 3.87Å; F1005-M1010 HydrophobicContact CZ-CE 3.94Å; F1005-M1010 HydrophobicContact CZ-CG 3.71Å; F1005-M1010 HydrophobicContact CZ-SD 3.69Å | ||
| 1006 | N | 59.6 | Low | 51.9 | Low | 25 Ų | 25 | 46.1 Ų | 46.1 | 13% | 0.134 | 24% | 0.235 | C | C | . | . | trans | -86.7 | 113.7 | 173.4 | -167 | -30.8 | 0 | 0 | 0 | 108.8 | S1004 K1008 Q1009 | S1004-N1006 PolarHBondContact O-N 3.21Å; N1006-K1008 PolarHBondContact O-N 2.86Å; N1006-K1008 VanDerWaalsContact OD1-CB 3.26Å; N1006-K1008 WeakPolarHBondContact OD1-CB 3.34Å; N1006-K1008 WeakPolarHBondContact OD1-CG 3.24Å; N1006-K1008 PolarHBondContact OD1-N 3.04Å; N1006-Q1009 HydrophobicContact CB-CG 4.2Å; N1006-Q1009 WeakPolarHBondContact O-CB 3.38Å; N1006-Q1009 PolarHBondContact O-N 3.14Å | ||
| 1007 | P | 56.5 | Low | 54.5 | Low | 13 Ų | 13 | 42.3 Ų | 42.3 | 8% | 0.084 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -56.7 | -22.9 | 179.8 | 22.2 | -32.2 | 0 | 0 | 0 | 112.7 | F755 F1005 Q1009 M1010 | F755-P1007 HydrophobicContact CD2-CG 4.23Å; F755-P1007 HydrophobicContact CE1-CG 4.46Å; F755-P1007 HydrophobicContact CE2-CG 4.09Å; F755-P1007 HydrophobicContact CG-CG 4.49Å; F755-P1007 HydrophobicContact CZ-CG 4.22Å; F1005-P1007 HydrophobicContact CE1-CB 4.33Å; F1005-P1007 WeakPolarHBondContact O-CD 3.32Å; P1007-Q1009 VanDerWaalsContact C-N 3.27Å; P1007-Q1009 PolarHBondContact O-N 2.75Å; P1007-M1010 WeakPolarHBondContact O-CB 3.28Å; P1007-M1010 PolarHBondContact O-N 3.48Å |
| 1008 | K | 57.3 | Low | 57.2 | Low | 101 Ų | 101 | 36.1 Ų | 36.1 | 44% | 0.439 | 19% | 0.187 | S | C | . | . | G | 310 helix | trans | -65.9 | -24.5 | 175.6 | -61.5 | 173.9 | 179.3 | 166 | 0 | 113.9 | N1006 M1010 | N1006-K1008 PolarHBondContact O-N 2.86Å; N1006-K1008 VanDerWaalsContact OD1-CB 3.26Å; N1006-K1008 WeakPolarHBondContact OD1-CB 3.34Å; N1006-K1008 WeakPolarHBondContact OD1-CG 3.24Å; N1006-K1008 PolarHBondContact OD1-N 3.04Å; K1008-M1010 VanDerWaalsContact C-N 3.34Å |
| 1009 | Q | 56.8 | Low | 59.8 | Low | 115 Ų | 115 | 32.6 Ų | 32.6 | 54% | 0.537 | 17% | 0.168 | S | C | . | . | G | 310 helix | trans | -79.3 | -15.5 | 179.1 | -69.2 | 177.8 | -10.2 | 0 | 0 | 113.3 | N1006 P1007 N1011 T1012 | N1006-Q1009 HydrophobicContact CB-CG 4.2Å; N1006-Q1009 WeakPolarHBondContact O-CB 3.38Å; N1006-Q1009 PolarHBondContact O-N 3.14Å; P1007-Q1009 VanDerWaalsContact C-N 3.27Å; P1007-Q1009 PolarHBondContact O-N 2.75Å; Q1009-N1011 VanDerWaalsContact C-N 3.27Å; Q1009-N1011 PolarHBondContact O-N 2.84Å; Q1009-T1012 WeakPolarHBondContact O-CG2 3.47Å; Q1009-T1012 PolarHBondContact O-OG1 3.25Å |
| 1010 | M | 50.8 | Low | 62.1 | Low | 24 Ų | 24 | 30.8 Ų | 30.8 | 12% | 0.118 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -71 | -19.5 | -173.8 | -146.2 | -179.4 | -158.4 | 0 | 0 | 113.6 | Y479 P758 N833 F1005 P1007 K1008 T1012 | Y479-M1010 HydrophobicContact CD1-CE 3.69Å; Y479-M1010 HydrophobicContact CG-CE 4.17Å; P758-M1010 HydrophobicContact CB-SD 4.47Å; N833-M1010 PolarHBondContact ND2-SD 3.4Å; F1005-M1010 HydrophobicContact CE1-SD 4.28Å; F1005-M1010 HydrophobicContact CE2-CG 4.44Å; F1005-M1010 HydrophobicContact CZ-CB 3.87Å; F1005-M1010 HydrophobicContact CZ-CE 3.94Å; F1005-M1010 HydrophobicContact CZ-CG 3.71Å; F1005-M1010 HydrophobicContact CZ-SD 3.69Å; P1007-M1010 WeakPolarHBondContact O-CB 3.28Å; P1007-M1010 PolarHBondContact O-N 3.48Å; K1008-M1010 VanDerWaalsContact C-N 3.34Å; M1010-T1012 VanDerWaalsContact C-N 3.28Å; M1010-T1012 PolarHBondContact O-N 3.43Å |
| 1011 | N | 52 | Low | 64.7 | Low | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -80.2 | -2.7 | -176.8 | -83.1 | -1.5 | 0 | 0 | 0 | 114.8 | E824 T828 N833 Q1009 R1013 | E824-N1011 HydrophobicContact CB-CB 4.02Å; E824-N1011 HydrophobicContact CG-CB 4.08Å; E824-N1011 PolarHBondContact O-ND2 3.32Å; T828-N1011 WeakPolarHBondContact CG2-ND2 3.16Å; N833-N1011 WeakPolarHBondContact CA-OD1 3.1Å; N833-N1011 WeakPolarHBondContact CB-OD1 3.37Å; Q1009-N1011 VanDerWaalsContact C-N 3.27Å; Q1009-N1011 PolarHBondContact O-N 2.84Å; N1011-R1013 PolarHBondContact O-N 3.32Å; N1011-R1013 VanDerWaalsContact O-N 3.12Å |
| 1012 | T | 56.2 | Low | 67.2 | Low | 48 Ų | 48 | 25.1 Ų | 25.1 | 29% | 0.294 | 13% | 0.127 | S | C | . | . | G | 310 helix | trans | -76.3 | 1.3 | -169.8 | 55.2 | 0 | 0 | 0 | 0 | 115.4 | Q1009 M1010 | Q1009-T1012 WeakPolarHBondContact O-CG2 3.47Å; Q1009-T1012 PolarHBondContact O-OG1 3.25Å; M1010-T1012 VanDerWaalsContact C-N 3.28Å; M1010-T1012 PolarHBondContact O-N 3.43Å |
| 1013 | R | 74 | Confident | 69.2 | Low | 28 Ų | 28 | 23.4 Ų | 23.4 | 11% | 0.106 | 12% | 0.12 | C | C | . | . | trans | -143.2 | 136.8 | -174.3 | -63.5 | -78.9 | -179.6 | 154.6 | 1.7 | 113.1 | F476 T834 T958 P977 N1011 | F476-R1013 HydrophobicContact CE2-CG 3.93Å; T834-R1013 PolarHBondContact OG1-O 3.26Å; T958-R1013 PolarHBondContact O-NH2 2.88Å; P977-R1013 VanDerWaalsContact CG-CZ 3.42Å; N1011-R1013 PolarHBondContact O-N 3.32Å; N1011-R1013 VanDerWaalsContact O-N 3.12Å | ||
| 1014 | Y | 80.6 | Confident | 71.2 | Confident | 2 Ų | 2 | 22.8 Ų | 22.8 | 1% | 0.008 | 12% | 0.116 | C | C | . | . | trans | -97 | -4.1 | -178.9 | -58.3 | -71.6 | 0 | 0 | 0 | 114.5 | E824 T834 M886 R889 E894 P1016 L1017 M1018 | E824-Y1014 PolarHBondContact OE1-OH 3.21Å; T834-Y1014 HydrophobicContact CG2-CD1 4.28Å; M886-Y1014 HydrophobicContact CG-CD1 3.27Å; M886-Y1014 HydrophobicContact CG-CD2 4.47Å; M886-Y1014 HydrophobicContact CG-CE1 3.76Å; M886-Y1014 HydrophobicContact CG-CG 3.7Å; M886-Y1014 HydrophobicContact SD-CD1 3.95Å; M886-Y1014 HydrophobicContact SD-CG 3.91Å; R889-Y1014 PolarHBondContact NH1-OH 3.44Å; R889-Y1014 VanDerWaalsContact NH1-OH 3.12Å; E894-Y1014 VanDerWaalsContact CD-CD2 3.46Å; E894-Y1014 WeakPolarHBondContact OE1-CD2 3.23Å; E894-Y1014 VanDerWaalsContact OE1-CE2 3.23Å; E894-Y1014 WeakPolarHBondContact OE1-CE2 3.29Å; E894-Y1014 PolarHBondContact OE2-N 3.48Å; Y1014-P1016 VanDerWaalsContact C-N 3.33Å; Y1014-L1017 HydrophobicContact CD1-CD1 4.28Å; Y1014-L1017 WeakPolarHBondContact O-CB 3.17Å; Y1014-L1017 PolarHBondContact O-N 3.48Å; Y1014-M1018 PolarHBondContact O-N 3.41Å; Y1014-M1018 VanDerWaalsContact O-N 3.07Å | ||
| 1015 | L | 81.7 | Confident | 73 | Confident | 5 Ų | 5 | 20.9 Ų | 20.9 | 3% | 0.026 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -51.4 | -38.6 | 178.5 | -161.7 | 68.7 | 0 | 0 | 0 | 115 | I485 F890 L1017 M1018 S1019 L1095 I1098 E1099 L1102 | I485-L1015 HydrophobicContact CD1-CB 4.29Å; I485-L1015 HydrophobicContact CD1-CD2 3.85Å; I485-L1015 HydrophobicContact CD1-CG 3.86Å; F890-L1015 HydrophobicContact CE2-CD1 4.07Å; F890-L1015 HydrophobicContact CZ-CD1 4.08Å; L1015-L1017 VanDerWaalsContact C-N 3.32Å; L1015-L1017 PolarHBondContact O-N 3.27Å; L1015-M1018 WeakPolarHBondContact O-CB 3.38Å; L1015-M1018 PolarHBondContact O-N 3.33Å; L1015-S1019 PolarHBondContact O-N 3.03Å; L1015-L1095 HydrophobicContact CD2-CD2 4.21Å; L1015-I1098 HydrophobicContact CD1-CG2 4.1Å; L1015-I1098 HydrophobicContact CD2-CB 4.31Å; L1015-I1098 HydrophobicContact CD2-CD1 3.98Å; L1015-I1098 HydrophobicContact CD2-CG2 3.72Å; L1015-I1098 HydrophobicContact CG-CG2 4.12Å; L1015-E1099 HydrophobicContact CD1-CG 4.48Å; L1015-L1102 HydrophobicContact CD1-CD1 3.85Å |
| 1016 | P | 80.8 | Confident | 74.3 | Confident | 12 Ų | 12 | 21.8 Ų | 21.8 | 8% | 0.078 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -64.9 | -35.3 | 176.9 | -18.4 | 31.3 | 0 | 0 | 0 | 112.9 | P484 I485 A838 Y1014 S1019 A1020 | P484-P1016 HydrophobicContact CB-CB 4.23Å; P484-P1016 HydrophobicContact CG-CB 3.77Å; I485-P1016 HydrophobicContact CD1-CG 4.45Å; A838-P1016 HydrophobicContact CB-CB 4.28Å; A838-P1016 WeakPolarHBondContact CB-O 3.43Å; Y1014-P1016 VanDerWaalsContact C-N 3.33Å; P1016-S1019 PolarHBondContact O-N 2.81Å; P1016-A1020 PolarHBondContact O-N 2.77Å |
| 1017 | L | 85.7 | Confident | 75.2 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -70.4 | -38.4 | 174.9 | -69.8 | 172.6 | 0 | 0 | 0 | 111.2 | T834 M837 A838 F882 W883 M886 Y1014 L1015 S1019 A1020 I1021 | T834-L1017 HydrophobicContact CG2-CD1 3.93Å; T834-L1017 HydrophobicContact CG2-CG 4.46Å; M837-L1017 HydrophobicContact CB-CD2 3.76Å; M837-L1017 HydrophobicContact CE-CD2 4.32Å; A838-L1017 HydrophobicContact CB-CD2 4.25Å; F882-L1017 HydrophobicContact CZ-CD1 4.48Å; W883-L1017 HydrophobicContact CH2-CD2 3.89Å; W883-L1017 HydrophobicContact CZ3-CB 4.25Å; W883-L1017 HydrophobicContact CZ3-CD2 4.07Å; M886-L1017 HydrophobicContact CE-CB 4Å; M886-L1017 HydrophobicContact CE-CD1 4.18Å; Y1014-L1017 HydrophobicContact CD1-CD1 4.28Å; Y1014-L1017 WeakPolarHBondContact O-CB 3.17Å; Y1014-L1017 PolarHBondContact O-N 3.48Å; L1015-L1017 VanDerWaalsContact C-N 3.32Å; L1015-L1017 PolarHBondContact O-N 3.27Å; L1017-S1019 VanDerWaalsContact C-N 3.34Å; L1017-S1019 PolarHBondContact O-N 2.89Å; L1017-A1020 PolarHBondContact O-N 3.36Å; L1017-I1021 VanDerWaalsContact O-CG1 3.31Å; L1017-I1021 WeakPolarHBondContact O-CG1 3.32Å; L1017-I1021 PolarHBondContact O-N 3.48Å |
| 1018 | M | 86.6 | Confident | 76.1 | Confident | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.005 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -56.6 | -48.7 | 172.3 | -65.6 | -56.8 | -67.3 | 0 | 0 | 111.5 | L887 F890 Y1014 L1015 A1020 I1021 V1022 L1052 W1055 L1102 | L887-M1018 HydrophobicContact CD2-CE 3.66Å; L887-M1018 HydrophobicContact CD2-SD 3.11Å; L887-M1018 WeakPolarHBondContact CD2-SD 3.43Å; L887-M1018 HydrophobicContact CG-SD 4.47Å; F890-M1018 HydrophobicContact CD1-CE 4.03Å; F890-M1018 HydrophobicContact CD1-CG 3.98Å; F890-M1018 HydrophobicContact CD1-SD 3.89Å; F890-M1018 HydrophobicContact CD2-CG 4.22Å; F890-M1018 HydrophobicContact CE1-CE 3.96Å; F890-M1018 HydrophobicContact CE1-CG 3.92Å; F890-M1018 HydrophobicContact CE1-SD 4.21Å; F890-M1018 HydrophobicContact CE2-CG 4.17Å; F890-M1018 HydrophobicContact CG-CG 4.14Å; F890-M1018 HydrophobicContact CG-SD 4.28Å; F890-M1018 HydrophobicContact CZ-CG 4.02Å; Y1014-M1018 PolarHBondContact O-N 3.41Å; Y1014-M1018 VanDerWaalsContact O-N 3.07Å; L1015-M1018 WeakPolarHBondContact O-CB 3.38Å; L1015-M1018 PolarHBondContact O-N 3.33Å; M1018-A1020 VanDerWaalsContact C-N 3.34Å; M1018-A1020 PolarHBondContact O-N 3.27Å; M1018-I1021 PolarHBondContact O-N 2.92Å; M1018-V1022 WeakPolarHBondContact O-CG2 3.23Å; M1018-V1022 PolarHBondContact O-N 2.74Å; M1018-V1022 VanDerWaalsContact O-N 3.09Å; M1018-L1052 HydrophobicContact CE-CD2 3.94Å; M1018-W1055 HydrophobicContact CE-CD2 4.45Å; M1018-W1055 HydrophobicContact CE-CE3 3.62Å; M1018-W1055 HydrophobicContact CE-CH2 4.03Å; M1018-W1055 HydrophobicContact CE-CZ3 3.37Å; M1018-L1102 HydrophobicContact CB-CD1 4.08Å |
| 1019 | S | 85.7 | Confident | 76.9 | Confident | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -58 | -46.1 | 176 | -178.8 | 0 | 0 | 0 | 0 | 111.9 | P484 L1015 P1016 L1017 I1021 V1022 N1023 | P484-S1019 PolarHBondContact O-OG 3.11Å; L1015-S1019 PolarHBondContact O-N 3.03Å; P1016-S1019 PolarHBondContact O-N 2.81Å; L1017-S1019 VanDerWaalsContact C-N 3.34Å; L1017-S1019 PolarHBondContact O-N 2.89Å; S1019-I1021 PolarHBondContact O-N 2.89Å; S1019-V1022 PolarHBondContact O-N 2.83Å; S1019-N1023 WeakPolarHBondContact O-CB 3.35Å; S1019-N1023 VanDerWaalsContact O-CG 3.32Å; S1019-N1023 PolarHBondContact O-N 3.39Å; S1019-N1023 PolarHBondContact O-ND2 2.74Å; S1019-N1023 VanDerWaalsContact O-ND2 3.15Å; S1019-N1023 PolarHBondContact OG-ND2 3.32Å |
| 1020 | A | 86.2 | Confident | 77.4 | Confident | 1 Ų | 1 | 15.5 Ų | 15.5 | 1% | 0.008 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -59.3 | -46.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | A838 T842 P1016 L1017 M1018 V1022 N1023 I1024 | A838-A1020 HydrophobicContact CB-CB 3.73Å; T842-A1020 HydrophobicContact CG2-CB 3.8Å; P1016-A1020 PolarHBondContact O-N 2.77Å; L1017-A1020 PolarHBondContact O-N 3.36Å; M1018-A1020 VanDerWaalsContact C-N 3.34Å; M1018-A1020 PolarHBondContact O-N 3.27Å; A1020-V1022 VanDerWaalsContact C-N 3.33Å; A1020-V1022 PolarHBondContact O-N 3.23Å; A1020-N1023 PolarHBondContact O-N 3.12Å; A1020-I1024 HydrophobicContact CB-CD1 4.37Å; A1020-I1024 WeakPolarHBondContact O-CB 3.17Å; A1020-I1024 WeakPolarHBondContact O-CD1 3.44Å; A1020-I1024 WeakPolarHBondContact O-CG1 3.2Å; A1020-I1024 PolarHBondContact O-N 3.44Å |
| 1021 | I | 86.6 | Confident | 78 | Confident | 4 Ų | 4 | 20 Ų | 20 | 2% | 0.021 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -57.4 | -47.7 | 177.9 | -67.3 | 164.6 | 0 | 0 | 0 | 110.5 | W883 M886 L887 L1017 M1018 S1019 I1024 L1025 L1052 | W883-I1021 HydrophobicContact CE3-CD1 3.81Å; W883-I1021 HydrophobicContact CE3-CG1 4.37Å; W883-I1021 HydrophobicContact CZ3-CD1 3.83Å; W883-I1021 HydrophobicContact CZ3-CG1 4.06Å; M886-I1021 HydrophobicContact CE-CD1 4.15Å; L887-I1021 HydrophobicContact CD1-CD1 4.18Å; L887-I1021 HydrophobicContact CD2-CD1 4.08Å; L887-I1021 HydrophobicContact CG-CD1 4.47Å; L1017-I1021 VanDerWaalsContact O-CG1 3.31Å; L1017-I1021 WeakPolarHBondContact O-CG1 3.32Å; L1017-I1021 PolarHBondContact O-N 3.48Å; M1018-I1021 PolarHBondContact O-N 2.92Å; S1019-I1021 PolarHBondContact O-N 2.89Å; I1021-I1024 PolarHBondContact O-N 2.9Å; I1021-L1025 HydrophobicContact CG2-CD1 3.81Å; I1021-L1025 HydrophobicContact CG2-CG 4.32Å; I1021-L1025 WeakPolarHBondContact O-CB 3.18Å; I1021-L1025 VanDerWaalsContact O-CG 3.28Å; I1021-L1025 WeakPolarHBondContact O-CG 3.32Å; I1021-L1025 PolarHBondContact O-N 2.9Å; I1021-L1052 HydrophobicContact CG2-CD1 3.96Å |
| 1022 | V | 86.8 | Confident | 78.5 | Confident | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.006 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.5 | -47.4 | 179.2 | 177.1 | 0 | 0 | 0 | 0 | 111.2 | M1018 S1019 A1020 I1024 L1025 E1026 L1102 R1105 I1106 | M1018-V1022 WeakPolarHBondContact O-CG2 3.23Å; M1018-V1022 PolarHBondContact O-N 2.74Å; M1018-V1022 VanDerWaalsContact O-N 3.09Å; S1019-V1022 PolarHBondContact O-N 2.83Å; A1020-V1022 VanDerWaalsContact C-N 3.33Å; A1020-V1022 PolarHBondContact O-N 3.23Å; V1022-I1024 VanDerWaalsContact C-N 3.32Å; V1022-I1024 PolarHBondContact O-N 2.98Å; V1022-L1025 PolarHBondContact O-N 3.24Å; V1022-E1026 WeakPolarHBondContact O-CB 3.18Å; V1022-E1026 WeakPolarHBondContact O-CG 3.45Å; V1022-E1026 PolarHBondContact O-N 3.43Å; V1022-L1102 HydrophobicContact CB-CD2 4.3Å; V1022-L1102 HydrophobicContact CG2-CD2 4.05Å; V1022-R1105 HydrophobicContact CG1-CB 3.97Å; V1022-I1106 HydrophobicContact CG1-CG1 4.39Å; V1022-I1106 HydrophobicContact CG2-CD1 3.74Å; V1022-I1106 HydrophobicContact CG2-CG1 3.6Å |
| 1023 | N | 85.2 | Confident | 79 | Confident | 24 Ų | 24 | 25.3 Ų | 25.3 | 13% | 0.128 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61 | -39.7 | 178.5 | -74.5 | -36 | 0 | 0 | 0 | 113 | S487 T842 S1019 A1020 S1027 R1105 | S487-N1023 PolarHBondContact OG-ND2 2.86Å; T842-N1023 HydrophobicContact CG2-CB 4.24Å; S1019-N1023 WeakPolarHBondContact O-CB 3.35Å; S1019-N1023 VanDerWaalsContact O-CG 3.32Å; S1019-N1023 PolarHBondContact O-N 3.39Å; S1019-N1023 PolarHBondContact O-ND2 2.74Å; S1019-N1023 VanDerWaalsContact O-ND2 3.15Å; S1019-N1023 PolarHBondContact OG-ND2 3.32Å; A1020-N1023 PolarHBondContact O-N 3.12Å; N1023-S1027 VanDerWaalsContact O-CB 3.31Å; N1023-S1027 WeakPolarHBondContact O-CB 3.23Å; N1023-S1027 PolarHBondContact O-N 2.92Å; N1023-S1027 PolarHBondContact O-OG 3.27Å; N1023-R1105 PolarHBondContact OD1-NH2 3.13Å |
| 1024 | I | 84.5 | Confident | 78.2 | Confident | 5 Ų | 5 | 24.5 Ų | 24.5 | 3% | 0.026 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -68.4 | -46.1 | 178.6 | -69.6 | 157.9 | 0 | 0 | 0 | 109.9 | I841 T842 L845 F878 A1020 I1021 V1022 S1027 I1028 | I841-I1024 HydrophobicContact CB-CD1 4.06Å; I841-I1024 HydrophobicContact CG2-CD1 3.17Å; I841-I1024 HydrophobicContact CG2-CG1 4.2Å; T842-I1024 HydrophobicContact CG2-CD1 4.32Å; T842-I1024 HydrophobicContact CG2-CG1 4.12Å; L845-I1024 HydrophobicContact CD1-CB 4.32Å; L845-I1024 HydrophobicContact CD1-CG1 3.98Å; L845-I1024 HydrophobicContact CD1-CG2 3.98Å; F878-I1024 HydrophobicContact CZ-CD1 4.05Å; A1020-I1024 HydrophobicContact CB-CD1 4.37Å; A1020-I1024 WeakPolarHBondContact O-CB 3.17Å; A1020-I1024 WeakPolarHBondContact O-CD1 3.44Å; A1020-I1024 WeakPolarHBondContact O-CG1 3.2Å; A1020-I1024 PolarHBondContact O-N 3.44Å; I1021-I1024 PolarHBondContact O-N 2.9Å; V1022-I1024 VanDerWaalsContact C-N 3.32Å; V1022-I1024 PolarHBondContact O-N 2.98Å; I1024-S1027 PolarHBondContact O-N 3.37Å; I1024-I1028 HydrophobicContact CG2-CD1 3.43Å; I1024-I1028 VanDerWaalsContact CG2-CD1 3.43Å; I1024-I1028 HydrophobicContact CG2-CG1 4.21Å; I1024-I1028 VanDerWaalsContact O-CB 3.32Å; I1024-I1028 WeakPolarHBondContact O-CB 3.37Å; I1024-I1028 WeakPolarHBondContact O-CG1 3.4Å; I1024-I1028 PolarHBondContact O-N 2.6Å |
| 1025 | L | 84 | Confident | 77.2 | Confident | 5 Ų | 5 | 25 Ų | 25 | 3% | 0.026 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61.5 | -45.4 | 177.3 | -73.8 | 175.5 | 0 | 0 | 0 | 111 | I1021 V1022 I1028 I1029 I1045 L1049 L1052 L1109 | I1021-L1025 HydrophobicContact CG2-CD1 3.81Å; I1021-L1025 HydrophobicContact CG2-CG 4.32Å; I1021-L1025 WeakPolarHBondContact O-CB 3.18Å; I1021-L1025 VanDerWaalsContact O-CG 3.28Å; I1021-L1025 WeakPolarHBondContact O-CG 3.32Å; I1021-L1025 PolarHBondContact O-N 2.9Å; V1022-L1025 PolarHBondContact O-N 3.24Å; L1025-I1028 PolarHBondContact O-N 2.83Å; L1025-I1029 HydrophobicContact CB-CD1 4.07Å; L1025-I1029 HydrophobicContact CD2-CD1 4.01Å; L1025-I1029 WeakPolarHBondContact O-CB 3.37Å; L1025-I1029 WeakPolarHBondContact O-CD1 3.31Å; L1025-I1029 VanDerWaalsContact O-CG1 3.32Å; L1025-I1029 WeakPolarHBondContact O-CG1 3.49Å; L1025-I1029 PolarHBondContact O-N 3.19Å; L1025-I1045 HydrophobicContact CD2-CG2 4.45Å; L1025-L1049 HydrophobicContact CD1-CD2 4.04Å; L1025-L1049 HydrophobicContact CD2-CD2 4.26Å; L1025-L1052 HydrophobicContact CD1-CD1 3.38Å; L1025-L1109 HydrophobicContact CB-CD2 3.83Å |
| 1026 | E | 83.6 | Confident | 75.9 | Confident | 42 Ų | 42 | 30 Ų | 30 | 20% | 0.196 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.4 | -47.9 | 173.6 | -76.9 | 179.3 | -174.6 | 0 | 0 | 112 | V1022 I1028 I1030 R1105 L1109 | V1022-E1026 WeakPolarHBondContact O-CB 3.18Å; V1022-E1026 WeakPolarHBondContact O-CG 3.45Å; V1022-E1026 PolarHBondContact O-N 3.43Å; E1026-I1028 PolarHBondContact O-N 3.29Å; E1026-I1030 HydrophobicContact CB-CD1 4.05Å; E1026-I1030 HydrophobicContact CG-CD1 4.05Å; E1026-I1030 WeakPolarHBondContact O-CA 3.37Å; E1026-I1030 WeakPolarHBondContact O-CB 3.34Å; E1026-I1030 WeakPolarHBondContact O-CG1 3.36Å; E1026-I1030 PolarHBondContact O-N 3.37Å; E1026-R1105 VanDerWaalsContact CD-NH2 3.27Å; E1026-R1105 WeakPolarHBondContact OE1-CB 3.45Å; E1026-R1105 IonicContact OE1-CZ 3.37Å; E1026-R1105 IonicContact OE1-NE 3.63Å; E1026-R1105 PolarHBondContact OE1-NE 3.48Å; E1026-R1105 IonicContact OE1-NH2 3.19Å; E1026-R1105 PolarHBondContact OE1-NH2 3.4Å; E1026-R1105 IonicContact OE2-CZ 2.85Å; E1026-R1105 IonicContact OE2-NE 2.71Å; E1026-R1105 IonicContact OE2-NH2 2.81Å; E1026-R1105 PolarHBondContact OE2-NH2 3.1Å; E1026-L1109 HydrophobicContact CB-CD1 4.41Å; E1026-L1109 HydrophobicContact CG-CD1 3.91Å |
| 1027 | S | 78.7 | Confident | 74.6 | Confident | 28 Ų | 28 | 31 Ų | 31 | 20% | 0.196 | 15% | 0.151 | C | C | . | . | I | π-helix | trans | -61.1 | -44.9 | 178.7 | -58.4 | 0 | 0 | 0 | 0 | 111.4 | N1023 I1024 Q1031 F1032 | N1023-S1027 VanDerWaalsContact O-CB 3.31Å; N1023-S1027 WeakPolarHBondContact O-CB 3.23Å; N1023-S1027 PolarHBondContact O-N 2.92Å; N1023-S1027 PolarHBondContact O-OG 3.27Å; I1024-S1027 PolarHBondContact O-N 3.37Å; S1027-Q1031 WeakPolarHBondContact O-CA 3.32Å; S1027-Q1031 WeakPolarHBondContact O-CB 3.4Å; S1027-Q1031 PolarHBondContact O-N 2.86Å; S1027-Q1031 VanDerWaalsContact O-N 3.12Å; S1027-F1032 WeakPolarHBondContact O-CD2 3.28Å; S1027-F1032 PolarHBondContact O-N 3.07Å |
| 1028 | I | 75.4 | Confident | 73 | Confident | 5 Ų | 5 | 35.9 Ų | 35.9 | 3% | 0.026 | 18% | 0.181 | C | C | . | . | I | π-helix | trans | -72.4 | -44.3 | -176.7 | -66.1 | 173.7 | 0 | 0 | 0 | 112.7 | L845 W870 I1024 L1025 E1026 F1032 K1033 L1034 | L845-I1028 HydrophobicContact CD1-CD1 4.48Å; L845-I1028 HydrophobicContact CD1-CG1 4.43Å; W870-I1028 HydrophobicContact CD2-CD1 4.48Å; W870-I1028 HydrophobicContact CE3-CD1 3.58Å; W870-I1028 HydrophobicContact CH2-CD1 3.8Å; W870-I1028 HydrophobicContact CZ3-CD1 3.18Å; I1024-I1028 HydrophobicContact CG2-CD1 3.43Å; I1024-I1028 VanDerWaalsContact CG2-CD1 3.43Å; I1024-I1028 HydrophobicContact CG2-CG1 4.21Å; I1024-I1028 VanDerWaalsContact O-CB 3.32Å; I1024-I1028 WeakPolarHBondContact O-CB 3.37Å; I1024-I1028 WeakPolarHBondContact O-CG1 3.4Å; I1024-I1028 PolarHBondContact O-N 2.6Å; L1025-I1028 PolarHBondContact O-N 2.83Å; E1026-I1028 PolarHBondContact O-N 3.29Å; I1028-F1032 VanDerWaalsContact CA-CD2 3.47Å; I1028-F1032 HydrophobicContact CB-CD2 4.2Å; I1028-F1032 HydrophobicContact CG1-CD2 3.92Å; I1028-F1032 HydrophobicContact CG1-CE2 4.13Å; I1028-F1032 CarbonylContact O-C 3.54Å; I1028-F1032 WeakPolarHBondContact O-CB 3.33Å; I1028-F1032 PolarHBondContact O-N 3.39Å; I1028-K1033 PolarHBondContact O-N 3.5Å; I1028-L1034 HydrophobicContact CG2-CB 3.62Å; I1028-L1034 HydrophobicContact CG2-CD2 3.87Å; I1028-L1034 HydrophobicContact CG2-CG 4.2Å; I1028-L1034 PolarHBondContact O-N 3.25Å |
| 1029 | I | 72.7 | Confident | 71.1 | Confident | 10 Ų | 10 | 41.9 Ų | 41.9 | 5% | 0.051 | 21% | 0.213 | C | C | . | . | I | π-helix | trans | -80.5 | -47.4 | -174 | -68 | 157.1 | 0 | 0 | 0 | 110.5 | L1025 K1033 H1035 L1109 I1113 | L1025-I1029 HydrophobicContact CB-CD1 4.07Å; L1025-I1029 HydrophobicContact CD2-CD1 4.01Å; L1025-I1029 WeakPolarHBondContact O-CB 3.37Å; L1025-I1029 WeakPolarHBondContact O-CD1 3.31Å; L1025-I1029 VanDerWaalsContact O-CG1 3.32Å; L1025-I1029 WeakPolarHBondContact O-CG1 3.49Å; L1025-I1029 PolarHBondContact O-N 3.19Å; I1029-K1033 WeakPolarHBondContact O-CA 3.33Å; I1029-K1033 PolarHBondContact O-N 2.89Å; I1029-H1035 PolarHBondContact O-ND1 2.69Å; I1029-L1109 HydrophobicContact CB-CD1 4.06Å; I1029-L1109 HydrophobicContact CD1-CD1 4.13Å; I1029-L1109 HydrophobicContact CD1-CD2 3.84Å; I1029-L1109 HydrophobicContact CD1-CG 4.22Å; I1029-L1109 HydrophobicContact CG2-CD1 4.12Å; I1029-I1113 HydrophobicContact CD1-CD1 3.76Å; I1029-I1113 HydrophobicContact CG1-CD1 4.36Å; I1029-I1113 HydrophobicContact CG2-CD1 3.74Å; I1029-I1113 HydrophobicContact CG2-CG1 3.53Å |
| 1030 | I | 67.3 | Low | 69.5 | Low | 79 Ų | 79 | 53.2 Ų | 53.2 | 41% | 0.405 | 26% | 0.255 | S | S | . | . | I | π-helix | trans | -79.2 | -53.4 | -174.9 | -54.2 | 174.3 | 0 | 0 | 0 | 109.8 | E1026 L1109 | E1026-I1030 HydrophobicContact CB-CD1 4.05Å; E1026-I1030 HydrophobicContact CG-CD1 4.05Å; E1026-I1030 WeakPolarHBondContact O-CA 3.37Å; E1026-I1030 WeakPolarHBondContact O-CB 3.34Å; E1026-I1030 WeakPolarHBondContact O-CG1 3.36Å; E1026-I1030 PolarHBondContact O-N 3.37Å; I1030-L1109 HydrophobicContact CD1-CD1 4.04Å; I1030-L1109 HydrophobicContact CG1-CD1 3.95Å |
| 1031 | Q | 64.2 | Low | 68 | Low | 120 Ų | 120 | 56.2 Ų | 56.2 | 56% | 0.561 | 27% | 0.269 | S | S | * | . | I | π-helix | trans | -81.4 | -40.9 | -172.9 | -54.1 | -179.2 | -18.9 | 0 | 0 | 112.4 | S1027 | S1027-Q1031 WeakPolarHBondContact O-CA 3.32Å; S1027-Q1031 WeakPolarHBondContact O-CB 3.4Å; S1027-Q1031 PolarHBondContact O-N 2.86Å; S1027-Q1031 VanDerWaalsContact O-N 3.12Å |
| 1032 | F | 62.4 | Low | 66.4 | Low | 22 Ų | 22 | 56.8 Ų | 56.8 | 10% | 0.096 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -93.2 | -4.9 | -175 | -47.3 | -37.7 | 0 | 0 | 0 | 114.2 | L845 Q849 F862 L866 S1027 I1028 L1034 | L845-F1032 HydrophobicContact CD2-CE2 4.44Å; Q849-F1032 HydrophobicContact CG-CE1 4.14Å; Q849-F1032 HydrophobicContact CG-CZ 4.01Å; Q849-F1032 VanDerWaalsContact NE2-CZ 3.26Å; F862-F1032 HydrophobicContact CE1-CD1 4.02Å; F862-F1032 HydrophobicContact CE1-CE1 4.03Å; F862-F1032 AromaticContact CZ-CD1 3.93Å; F862-F1032 HydrophobicContact CZ-CD1 3.93Å; F862-F1032 AromaticContact CZ-CE1 3.47Å; F862-F1032 HydrophobicContact CZ-CE1 3.47Å; F862-F1032 VanDerWaalsContact CZ-CE1 3.47Å; F862-F1032 HydrophobicContact CZ-CZ 4.2Å; L866-F1032 HydrophobicContact CD1-CD2 4.09Å; L866-F1032 HydrophobicContact CD1-CE2 3.68Å; L866-F1032 HydrophobicContact CD1-CZ 4.04Å; L866-F1032 HydrophobicContact CD2-CB 3.88Å; L866-F1032 HydrophobicContact CD2-CD1 3.69Å; L866-F1032 HydrophobicContact CD2-CD2 3.31Å; L866-F1032 HydrophobicContact CD2-CE1 4.03Å; L866-F1032 HydrophobicContact CD2-CE2 3.69Å; L866-F1032 HydrophobicContact CD2-CG 3.34Å; L866-F1032 HydrophobicContact CD2-CZ 4.01Å; L866-F1032 HydrophobicContact CG-CD2 4.25Å; L866-F1032 HydrophobicContact CG-CE2 4.31Å; S1027-F1032 WeakPolarHBondContact O-CD2 3.28Å; S1027-F1032 PolarHBondContact O-N 3.07Å; I1028-F1032 VanDerWaalsContact CA-CD2 3.47Å; I1028-F1032 HydrophobicContact CB-CD2 4.2Å; I1028-F1032 HydrophobicContact CG1-CD2 3.92Å; I1028-F1032 HydrophobicContact CG1-CE2 4.13Å; I1028-F1032 CarbonylContact O-C 3.54Å; I1028-F1032 WeakPolarHBondContact O-CB 3.33Å; I1028-F1032 PolarHBondContact O-N 3.39Å; F1032-L1034 PolarHBondContact O-N 3.03Å |
| 1033 | K | 65.8 | Low | 65.1 | Low | 138 Ų | 138 | 59.1 Ų | 59.1 | 60% | 0.6 | 29% | 0.289 | S | S | * | . | trans | 48.2 | 32.2 | -178.2 | -60.9 | -176.3 | 178.3 | -178.9 | 0 | 113 | I1028 I1029 H1035 M1036 | I1028-K1033 PolarHBondContact O-N 3.5Å; I1029-K1033 WeakPolarHBondContact O-CA 3.33Å; I1029-K1033 PolarHBondContact O-N 2.89Å; K1033-H1035 PolarHBondContact O-N 2.88Å; K1033-M1036 WeakPolarHBondContact O-CB 3.46Å; K1033-M1036 PolarHBondContact O-N 3.35Å | ||
| 1034 | L | 58.8 | Low | 64.1 | Low | 10 Ų | 10 | 58.1 Ų | 58.1 | 5% | 0.052 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -63.6 | -19.4 | -171.6 | -145.2 | 95.1 | 0 | 0 | 0 | 113 | I1028 F1032 M1036 I1037 I1045 | I1028-L1034 HydrophobicContact CG2-CB 3.62Å; I1028-L1034 HydrophobicContact CG2-CD2 3.87Å; I1028-L1034 HydrophobicContact CG2-CG 4.2Å; I1028-L1034 PolarHBondContact O-N 3.25Å; F1032-L1034 PolarHBondContact O-N 3.03Å; L1034-M1036 PolarHBondContact O-N 3.19Å; L1034-M1036 VanDerWaalsContact O-N 3.1Å; L1034-I1037 HydrophobicContact CD1-CD1 3.63Å; L1034-I1037 HydrophobicContact CG-CD1 3.68Å; L1034-I1037 HydrophobicContact CG-CG1 4.3Å; L1034-I1037 WeakPolarHBondContact O-CB 3.33Å; L1034-I1037 PolarHBondContact O-N 3.27Å; L1034-I1045 HydrophobicContact CD2-CD1 3.8Å |
| 1035 | H | 58.6 | Low | 63.4 | Low | 13 Ų | 13 | 58.1 Ų | 58.1 | 6% | 0.06 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -59.1 | -16.9 | 172.3 | 61.4 | -94.1 | 0 | 0 | 0 | 113.5 | I1029 K1033 I1037 L1116 S1119 L1121 | I1029-H1035 PolarHBondContact O-ND1 2.69Å; K1033-H1035 PolarHBondContact O-N 2.88Å; H1035-I1037 VanDerWaalsContact C-N 3.34Å; H1035-L1116 VanDerWaalsContact NE2-CD1 3.26Å; H1035-L1116 WeakPolarHBondContact NE2-CD1 3.44Å; H1035-S1119 WeakPolarHBondContact O-CB 3.47Å; H1035-L1121 HydrophobicContact CB-CB 4.33Å; H1035-L1121 HydrophobicContact CB-CD2 4.09Å |
| 1036 | M | 54.2 | Low | 62.8 | Low | 110 Ų | 110 | 59.3 Ų | 59.3 | 54% | 0.542 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -80.6 | -8.8 | 174 | -64.7 | -62.5 | -177.4 | 0 | 0 | 113.8 | K1033 L1034 | K1033-M1036 WeakPolarHBondContact O-CB 3.46Å; K1033-M1036 PolarHBondContact O-N 3.35Å; L1034-M1036 PolarHBondContact O-N 3.19Å; L1034-M1036 VanDerWaalsContact O-N 3.1Å |
| 1037 | I | 54.3 | Low | 62.3 | Low | 34 Ų | 34 | 60.6 Ų | 60.6 | 17% | 0.174 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -84.9 | 148.6 | -176.4 | -54.4 | -173.9 | 0 | 0 | 0 | 111.4 | L1034 H1035 E1041 L1042 | L1034-I1037 HydrophobicContact CD1-CD1 3.63Å; L1034-I1037 HydrophobicContact CG-CD1 3.68Å; L1034-I1037 HydrophobicContact CG-CG1 4.3Å; L1034-I1037 WeakPolarHBondContact O-CB 3.33Å; L1034-I1037 PolarHBondContact O-N 3.27Å; H1035-I1037 VanDerWaalsContact C-N 3.34Å; I1037-E1041 HydrophobicContact CG2-CB 4.31Å; I1037-E1041 HydrophobicContact CG2-CG 4.48Å; I1037-E1041 WeakPolarHBondContact CG2-OE2 3.3Å; I1037-L1042 VanDerWaalsContact O-CD1 3.28Å; I1037-L1042 WeakPolarHBondContact O-CD1 3.22Å |
| 1038 | T | 52.4 | Low | 62.2 | Low | 102 Ų | 102 | 59.4 Ų | 59.4 | 63% | 0.626 | 29% | 0.292 | S | S | * | . | trans | -62.1 | 146.9 | -177.1 | 51.2 | 0 | 0 | 0 | 0 | 114.4 | R1040 E1041 | T1038-R1040 PolarHBondContact O-N 3.36Å; T1038-E1041 PolarHBondContact O-N 2.98Å | ||
| 1039 | L | 46 | Very low | 62.5 | Low | 127 Ų | 127 | 59.2 Ų | 59.2 | 67% | 0.665 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -34.8 | -34.6 | -177 | -88.3 | 155.5 | 0 | 0 | 0 | 118 | E1041 L1042 N1120 | L1039-E1041 VanDerWaalsContact C-N 3.25Å; L1039-E1041 PolarHBondContact O-N 2.92Å; L1039-L1042 PolarHBondContact O-N 3.49Å; L1039-N1120 HydrophobicContact CD2-CB 4.49Å; L1039-N1120 HydrophobicContact CG-CB 4.49Å |
| 1040 | R | 52 | Low | 63 | Low | 238 Ų | 238 | 62.1 Ų | 62.1 | 90% | 0.898 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -65.9 | -25.9 | -173.7 | -117 | -179 | -175.5 | 179.8 | 1.3 | 113.7 | T1038 | T1038-R1040 PolarHBondContact O-N 3.36Š|
| 1041 | E | 53.8 | Low | 63.7 | Low | 64 Ų | 64 | 58.5 Ų | 58.5 | 30% | 0.299 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -97.5 | -11.7 | -177.8 | -61.6 | -172.4 | 177.4 | 0 | 0 | 113.4 | I1037 T1038 L1039 P1044 | I1037-E1041 HydrophobicContact CG2-CB 4.31Å; I1037-E1041 HydrophobicContact CG2-CG 4.48Å; I1037-E1041 WeakPolarHBondContact CG2-OE2 3.3Å; T1038-E1041 PolarHBondContact O-N 2.98Å; L1039-E1041 VanDerWaalsContact C-N 3.25Å; L1039-E1041 PolarHBondContact O-N 2.92Å; E1041-P1044 WeakPolarHBondContact O-CD 3.37Å |
| 1042 | L | 53 | Low | 64.9 | Low | 16 Ų | 16 | 52.9 Ų | 52.9 | 8% | 0.084 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -14.5 | -175.8 | -90.2 | 149.4 | 0 | 0 | 0 | 114.5 | I1037 L1039 P1044 I1045 S1046 N1120 L1121 | I1037-L1042 VanDerWaalsContact O-CD1 3.28Å; I1037-L1042 WeakPolarHBondContact O-CD1 3.22Å; L1039-L1042 PolarHBondContact O-N 3.49Å; L1042-P1044 VanDerWaalsContact C-CD 3.41Å; L1042-I1045 HydrophobicContact CD2-CB 4.46Å; L1042-I1045 HydrophobicContact CD2-CD1 4.24Å; L1042-I1045 WeakPolarHBondContact O-CB 3.4Å; L1042-I1045 PolarHBondContact O-N 3.49Å; L1042-S1046 PolarHBondContact O-N 3.4Å; L1042-N1120 HydrophobicContact CD1-CB 4.27Å; L1042-L1121 HydrophobicContact CD2-CD1 4.12Å |
| 1043 | S | 61.3 | Low | 66.1 | Low | 50 Ų | 50 | 51.8 Ų | 51.8 | 35% | 0.35 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -51 | -42.8 | -173.6 | 96.8 | 0 | 0 | 0 | 0 | 115.2 | I1045 S1046 | S1043-I1045 VanDerWaalsContact C-N 3.31Å; S1043-I1045 PolarHBondContact O-N 3.01Å; S1043-S1046 PolarHBondContact O-OG 3.14Å |
| 1044 | P | 63.3 | Low | 67.1 | Low | 3 Ų | 3 | 47.8 Ų | 47.8 | 2% | 0.019 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -71.2 | -27 | 178.6 | 28.2 | -34.8 | 0 | 0 | 0 | 112.9 | W870 T875 K879 E1041 L1042 L1048 | W870-P1044 HydrophobicContact CZ2-CB 4.5Å; W870-P1044 HydrophobicContact CZ2-CG 4.01Å; T875-P1044 HydrophobicContact CG2-CB 4.09Å; T875-P1044 HydrophobicContact CG2-CG 3.88Å; K879-P1044 HydrophobicContact CG-CB 4.27Å; E1041-P1044 WeakPolarHBondContact O-CD 3.37Å; L1042-P1044 VanDerWaalsContact C-CD 3.41Å; P1044-L1048 WeakPolarHBondContact O-CG 3.42Å; P1044-L1048 PolarHBondContact O-N 3.47Å |
| 1045 | I | 70.7 | Confident | 68.5 | Low | 4 Ų | 4 | 47.5 Ų | 47.5 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -72.4 | -41.7 | -179.2 | -59.1 | 177.4 | 0 | 0 | 0 | 109.8 | W870 L1025 L1034 L1042 S1043 D1047 L1048 L1049 L1121 | W870-I1045 HydrophobicContact CH2-CG1 4.24Å; W870-I1045 HydrophobicContact CZ2-CD1 4.1Å; W870-I1045 HydrophobicContact CZ2-CG1 3.6Å; L1025-I1045 HydrophobicContact CD2-CG2 4.45Å; L1034-I1045 HydrophobicContact CD2-CD1 3.8Å; L1042-I1045 HydrophobicContact CD2-CB 4.46Å; L1042-I1045 HydrophobicContact CD2-CD1 4.24Å; L1042-I1045 WeakPolarHBondContact O-CB 3.4Å; L1042-I1045 PolarHBondContact O-N 3.49Å; S1043-I1045 VanDerWaalsContact C-N 3.31Å; S1043-I1045 PolarHBondContact O-N 3.01Å; I1045-D1047 VanDerWaalsContact C-N 3.25Å; I1045-D1047 PolarHBondContact O-N 3.06Å; I1045-L1048 PolarHBondContact O-N 3.37Å; I1045-L1049 HydrophobicContact CG2-CD1 3.84Å; I1045-L1049 HydrophobicContact CG2-CG 4.12Å; I1045-L1049 VanDerWaalsContact O-CG 3.23Å; I1045-L1049 WeakPolarHBondContact O-CG 3.49Å; I1045-L1049 PolarHBondContact O-N 3.48Å; I1045-L1121 HydrophobicContact CG2-CD1 4.43Å |
| 1046 | S | 71.2 | Confident | 69.9 | Low | 30 Ų | 30 | 47 Ų | 47 | 21% | 0.21 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.9 | -38.2 | 176.7 | 49.6 | 0 | 0 | 0 | 0 | 112.4 | L1042 S1043 L1049 L1050 Y1124 | L1042-S1046 PolarHBondContact O-N 3.4Å; S1043-S1046 PolarHBondContact O-OG 3.14Å; S1046-L1049 PolarHBondContact O-N 2.84Å; S1046-L1050 PolarHBondContact O-N 2.71Å; S1046-L1050 VanDerWaalsContact O-N 3.13Å; S1046-Y1124 PolarHBondContact O-OH 3.08Å |
| 1047 | D | 73.2 | Confident | 71.3 | Confident | 69 Ų | 69 | 44.1 Ų | 44.1 | 37% | 0.369 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -66.3 | -39.6 | 177.7 | -65 | -21.6 | 0 | 0 | 0 | 111.4 | N884 I1045 P1051 | N884-D1047 PolarHBondContact OD1-O 3.37Å; I1045-D1047 VanDerWaalsContact C-N 3.25Å; I1045-D1047 PolarHBondContact O-N 3.06Å; D1047-P1051 WeakPolarHBondContact O-CD 3.26Å |
| 1048 | L | 75.2 | Confident | 72.6 | Confident | 4 Ų | 4 | 45.5 Ų | 45.5 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -69.9 | -32.7 | 175.1 | -70.8 | 170.1 | 0 | 0 | 0 | 113.8 | F878 W883 P1044 I1045 | F878-L1048 HydrophobicContact CB-CD1 3.85Å; F878-L1048 HydrophobicContact CB-CD2 4.09Å; F878-L1048 HydrophobicContact CB-CG 4.1Å; F878-L1048 HydrophobicContact CD1-CD1 3.7Å; F878-L1048 HydrophobicContact CD1-CD2 3.44Å; F878-L1048 VanDerWaalsContact CD1-CD2 3.44Å; F878-L1048 HydrophobicContact CD1-CG 4.1Å; F878-L1048 HydrophobicContact CD2-CD1 4Å; F878-L1048 HydrophobicContact CE1-CD1 4.16Å; F878-L1048 HydrophobicContact CE1-CD2 4.08Å; F878-L1048 HydrophobicContact CE2-CD1 4.44Å; F878-L1048 HydrophobicContact CG-CD1 3.6Å; F878-L1048 HydrophobicContact CG-CD2 4.02Å; F878-L1048 HydrophobicContact CG-CG 4.21Å; F878-L1048 HydrophobicContact CZ-CD1 4.49Å; W883-L1048 HydrophobicContact CB-CD2 4.32Å; W883-L1048 HydrophobicContact CG-CD2 4.28Å; P1044-L1048 WeakPolarHBondContact O-CG 3.42Å; P1044-L1048 PolarHBondContact O-N 3.47Å; I1045-L1048 PolarHBondContact O-N 3.37Å |
| 1049 | L | 82.7 | Confident | 74 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -74.2 | -29.9 | 179.9 | -70.3 | 175 | 0 | 0 | 0 | 111.8 | L1025 I1045 S1046 L1052 I1053 F1110 L1121 Y1124 L1125 | L1025-L1049 HydrophobicContact CD1-CD2 4.04Å; L1025-L1049 HydrophobicContact CD2-CD2 4.26Å; I1045-L1049 HydrophobicContact CG2-CD1 3.84Å; I1045-L1049 HydrophobicContact CG2-CG 4.12Å; I1045-L1049 VanDerWaalsContact O-CG 3.23Å; I1045-L1049 WeakPolarHBondContact O-CG 3.49Å; I1045-L1049 PolarHBondContact O-N 3.48Å; S1046-L1049 PolarHBondContact O-N 2.84Å; L1049-L1052 PolarHBondContact O-N 2.88Å; L1049-L1052 VanDerWaalsContact O-N 3.11Å; L1049-I1053 HydrophobicContact CB-CD1 4.23Å; L1049-I1053 WeakPolarHBondContact O-CB 3.43Å; L1049-I1053 VanDerWaalsContact O-CG1 3.22Å; L1049-I1053 WeakPolarHBondContact O-CG1 3.34Å; L1049-I1053 PolarHBondContact O-N 3.24Å; L1049-F1110 HydrophobicContact CD2-CE1 3.42Å; L1049-F1110 VanDerWaalsContact CD2-CE1 3.42Å; L1049-F1110 HydrophobicContact CD2-CZ 3.52Å; L1049-L1121 HydrophobicContact CD1-CD1 3.44Å; L1049-L1121 VanDerWaalsContact CD1-CD1 3.44Å; L1049-L1121 HydrophobicContact CD1-CD2 4.48Å; L1049-L1121 HydrophobicContact CD1-CG 4.29Å; L1049-Y1124 HydrophobicContact CB-CE1 4.39Å; L1049-L1125 HydrophobicContact CD1-CD2 4.47Å |
| 1050 | L | 83.7 | Confident | 75.4 | Confident | 71 Ų | 71 | 36.5 Ų | 36.5 | 37% | 0.372 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -56.3 | -48.7 | -174.3 | -179.8 | 67.5 | 0 | 0 | 0 | 113.1 | S1046 L1052 I1053 D1054 | S1046-L1050 PolarHBondContact O-N 2.71Å; S1046-L1050 VanDerWaalsContact O-N 3.13Å; L1050-L1052 VanDerWaalsContact C-N 3.35Å; L1050-L1052 PolarHBondContact O-N 2.58Å; L1050-I1053 WeakPolarHBondContact O-CB 3.23Å; L1050-I1053 PolarHBondContact O-N 3.34Å; L1050-D1054 PolarHBondContact O-N 2.84Å |
| 1051 | P | 82.1 | Confident | 76.3 | Confident | 4 Ų | 4 | 28.9 Ų | 28.9 | 3% | 0.026 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -69.9 | -28.9 | 176.9 | -18.6 | 31.7 | 0 | 0 | 0 | 113.7 | N884 L887 M891 D1047 D1054 W1055 | N884-P1051 HydrophobicContact CB-CG 4.39Å; N884-P1051 WeakPolarHBondContact OD1-CG 3.3Å; L887-P1051 HydrophobicContact CB-CB 3.46Å; L887-P1051 VanDerWaalsContact CB-CB 3.46Å; L887-P1051 HydrophobicContact CB-CG 4.1Å; L887-P1051 HydrophobicContact CD1-CB 3.66Å; L887-P1051 HydrophobicContact CD1-CG 3.7Å; L887-P1051 HydrophobicContact CG-CB 4.07Å; L887-P1051 HydrophobicContact CG-CG 4.49Å; M891-P1051 HydrophobicContact CE-CB 4.25Å; D1047-P1051 WeakPolarHBondContact O-CD 3.26Å; P1051-D1054 PolarHBondContact O-N 2.89Å; P1051-W1055 PolarHBondContact O-N 3.09Å |
| 1052 | L | 87.8 | Confident | 76.5 | Confident | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -69.8 | -37.6 | 174.3 | -62.3 | 179.1 | 0 | 0 | 0 | 111.3 | L887 M1018 I1021 L1025 L1049 L1050 D1054 W1055 I1056 I1106 F1110 | L887-L1052 HydrophobicContact CD2-CD2 4.41Å; M1018-L1052 HydrophobicContact CE-CD2 3.94Å; I1021-L1052 HydrophobicContact CG2-CD1 3.96Å; L1025-L1052 HydrophobicContact CD1-CD1 3.38Å; L1049-L1052 PolarHBondContact O-N 2.88Å; L1049-L1052 VanDerWaalsContact O-N 3.11Å; L1050-L1052 VanDerWaalsContact C-N 3.35Å; L1050-L1052 PolarHBondContact O-N 2.58Å; L1052-D1054 VanDerWaalsContact C-N 3.32Å; L1052-W1055 HydrophobicContact CD2-CE3 4.32Å; L1052-W1055 WeakPolarHBondContact O-CB 3.49Å; L1052-W1055 PolarHBondContact O-N 3.45Å; L1052-I1056 WeakPolarHBondContact O-CG1 3.37Å; L1052-I1056 PolarHBondContact O-N 3.42Å; L1052-I1106 HydrophobicContact CD2-CD1 4.02Å; L1052-F1110 HydrophobicContact CB-CZ 4.19Å |
| 1053 | I | 88.8 | Confident | 76.5 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.3 | -45.6 | 169.8 | -70.5 | 168.3 | 0 | 0 | 0 | 109.4 | L1049 L1050 W1055 I1056 K1057 F1110 Y1124 L1125 L1129 | L1049-I1053 HydrophobicContact CB-CD1 4.23Å; L1049-I1053 WeakPolarHBondContact O-CB 3.43Å; L1049-I1053 VanDerWaalsContact O-CG1 3.22Å; L1049-I1053 WeakPolarHBondContact O-CG1 3.34Å; L1049-I1053 PolarHBondContact O-N 3.24Å; L1050-I1053 WeakPolarHBondContact O-CB 3.23Å; L1050-I1053 PolarHBondContact O-N 3.34Å; I1053-W1055 VanDerWaalsContact C-N 3.3Å; I1053-W1055 PolarHBondContact O-N 3.41Å; I1053-I1056 PolarHBondContact O-N 3.31Å; I1053-K1057 HydrophobicContact CG2-CD 4.11Å; I1053-K1057 WeakPolarHBondContact O-CB 3.22Å; I1053-K1057 VanDerWaalsContact O-CG 3.3Å; I1053-K1057 WeakPolarHBondContact O-CG 3.08Å; I1053-K1057 PolarHBondContact O-N 3.36Å; I1053-F1110 HydrophobicContact CG1-CE2 3.96Å; I1053-F1110 HydrophobicContact CG1-CZ 4.49Å; I1053-Y1124 HydrophobicContact CD1-CE1 3.83Å; I1053-L1125 HydrophobicContact CD1-CD2 3.76Å; I1053-L1125 HydrophobicContact CG1-CD2 4.11Å; I1053-L1129 HydrophobicContact CB-CD2 4.47Å; I1053-L1129 HydrophobicContact CG1-CD1 4.17Å; I1053-L1129 HydrophobicContact CG1-CG 4.33Å; I1053-L1129 HydrophobicContact CG2-CD2 3.79Å; I1053-L1129 HydrophobicContact CG2-CG 4.05Å |
| 1054 | D | 85.2 | Confident | 75.9 | Confident | 54 Ų | 54 | 31.1 Ų | 31.1 | 29% | 0.289 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -63.7 | -35.4 | 175.8 | -72.1 | -17.8 | 0 | 0 | 0 | 112.3 | M891 L1050 P1051 L1052 K1057 R1058 | M891-D1054 HydrophobicContact CE-CB 4.18Å; M891-D1054 HydrophobicContact SD-CB 4.43Å; L1050-D1054 PolarHBondContact O-N 2.84Å; P1051-D1054 PolarHBondContact O-N 2.89Å; L1052-D1054 VanDerWaalsContact C-N 3.32Å; D1054-K1057 PolarHBondContact O-N 2.65Å; D1054-R1058 VanDerWaalsContact O-CG 3.31Å; D1054-R1058 WeakPolarHBondContact O-CG 3.22Å; D1054-R1058 PolarHBondContact O-N 3.49Å |
| 1055 | W | 88.1 | Confident | 75.3 | Confident | 3 Ų | 3 | 31.4 Ų | 31.4 | 1% | 0.011 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.1 | -48.8 | 174.9 | -164.2 | 23.2 | 0 | 0 | 0 | 111.1 | F890 M891 T898 M1018 P1051 L1052 I1053 K1057 R1058 V1059 L1102 I1103 I1106 | F890-W1055 AromaticContact CE1-CE2 3.99Å; F890-W1055 AromaticContact CE1-CH2 3.93Å; F890-W1055 HydrophobicContact CE1-CH2 3.93Å; F890-W1055 AromaticContact CE1-CZ2 3.62Å; F890-W1055 HydrophobicContact CE1-CZ2 3.62Å; F890-W1055 HydrophobicContact CZ-CH2 4.43Å; F890-W1055 HydrophobicContact CZ-CZ2 4.21Å; M891-W1055 HydrophobicContact CG-CB 4.08Å; M891-W1055 HydrophobicContact CG-CG 3.89Å; M891-W1055 WeakPolarHBondContact SD-CA 3.16Å; M891-W1055 HydrophobicContact SD-CB 3.41Å; M891-W1055 WeakPolarHBondContact SD-CB 3.32Å; M891-W1055 HydrophobicContact SD-CG 3.88Å; M891-W1055 PolarHBondContact SD-N 2.85Å; M891-W1055 VanDerWaalsContact SD-N 3.37Å; T898-W1055 VanDerWaalsContact CG2-CD1 3.49Å; T898-W1055 PolarHBondContact OG1-NE1 2.87Å; M1018-W1055 HydrophobicContact CE-CD2 4.45Å; M1018-W1055 HydrophobicContact CE-CE3 3.62Å; M1018-W1055 HydrophobicContact CE-CH2 4.03Å; M1018-W1055 HydrophobicContact CE-CZ3 3.37Å; P1051-W1055 PolarHBondContact O-N 3.09Å; L1052-W1055 HydrophobicContact CD2-CE3 4.32Å; L1052-W1055 WeakPolarHBondContact O-CB 3.49Å; L1052-W1055 PolarHBondContact O-N 3.45Å; I1053-W1055 VanDerWaalsContact C-N 3.3Å; I1053-W1055 PolarHBondContact O-N 3.41Å; W1055-K1057 VanDerWaalsContact C-N 3.33Å; W1055-K1057 PolarHBondContact O-N 3.21Å; W1055-R1058 WeakPolarHBondContact O-CB 3.18Å; W1055-R1058 PolarHBondContact O-N 2.73Å; W1055-R1058 VanDerWaalsContact O-N 3.1Å; W1055-V1059 WeakPolarHBondContact O-CG2 3.16Å; W1055-V1059 PolarHBondContact O-N 3.22Å; W1055-L1102 HydrophobicContact CH2-CB 4.15Å; W1055-L1102 HydrophobicContact CZ3-CB 4.4Å; W1055-I1103 HydrophobicContact CD2-CG1 4.21Å; W1055-I1103 HydrophobicContact CE3-CG1 4.2Å; W1055-I1103 HydrophobicContact CH2-CD1 4.18Å; W1055-I1103 HydrophobicContact CH2-CG1 3.57Å; W1055-I1103 HydrophobicContact CZ2-CD1 3.66Å; W1055-I1103 HydrophobicContact CZ2-CG1 3.56Å; W1055-I1103 HydrophobicContact CZ3-CG1 3.9Å; W1055-I1106 HydrophobicContact CE3-CD1 3.89Å; W1055-I1106 HydrophobicContact CZ3-CD1 3.69Å |
| 1056 | I | 88.6 | Confident | 74 | Confident | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.2 | -43.2 | 175.2 | -71.1 | 165.5 | 0 | 0 | 0 | 111 | L1052 I1053 R1058 V1059 Y1060 I1106 L1107 F1110 L1129 I1144 A1148 | L1052-I1056 WeakPolarHBondContact O-CG1 3.37Å; L1052-I1056 PolarHBondContact O-N 3.42Å; I1053-I1056 PolarHBondContact O-N 3.31Å; I1056-R1058 VanDerWaalsContact C-N 3.29Å; I1056-R1058 PolarHBondContact O-N 3.49Å; I1056-V1059 PolarHBondContact O-N 3.15Å; I1056-Y1060 PolarHBondContact O-N 2.65Å; I1056-I1106 HydrophobicContact CD1-CG2 3.74Å; I1056-L1107 HydrophobicContact CD1-CD2 4.07Å; I1056-L1107 HydrophobicContact CG1-CD2 4.13Å; I1056-L1107 HydrophobicContact CG2-CD2 4.1Å; I1056-F1110 HydrophobicContact CD1-CD2 3.52Å; I1056-F1110 HydrophobicContact CD1-CE2 3.53Å; I1056-L1129 HydrophobicContact CG2-CD2 4.07Å; I1056-I1144 HydrophobicContact CG2-CG2 3.96Å; I1056-A1148 HydrophobicContact CG2-CB 3.94Å |
| 1057 | K | 84.8 | Confident | 72.9 | Confident | 51 Ų | 51 | 39.2 Ų | 39.2 | 22% | 0.222 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.6 | -39.9 | 175 | -75.8 | 174.6 | 178.4 | 177.2 | 0 | 111.5 | I1053 D1054 W1055 Y1060 Q1061 S1128 L1129 I1144 | I1053-K1057 HydrophobicContact CG2-CD 4.11Å; I1053-K1057 WeakPolarHBondContact O-CB 3.22Å; I1053-K1057 VanDerWaalsContact O-CG 3.3Å; I1053-K1057 WeakPolarHBondContact O-CG 3.08Å; I1053-K1057 PolarHBondContact O-N 3.36Å; D1054-K1057 PolarHBondContact O-N 2.65Å; W1055-K1057 VanDerWaalsContact C-N 3.33Å; W1055-K1057 PolarHBondContact O-N 3.21Å; K1057-Y1060 CarbonylContact O-C 3.46Å; K1057-Y1060 WeakPolarHBondContact O-CB 3.48Å; K1057-Y1060 PolarHBondContact O-N 3.12Å; K1057-Q1061 WeakPolarHBondContact O-CB 3.1Å; K1057-Q1061 VanDerWaalsContact O-CG 3.23Å; K1057-Q1061 WeakPolarHBondContact O-CG 3.48Å; K1057-Q1061 PolarHBondContact O-N 3.22Å; K1057-S1128 WeakPolarHBondContact CE-O 3.48Å; K1057-S1128 PolarHBondContact NZ-O 3.16Å; K1057-S1128 VanDerWaalsContact NZ-O 3.15Å; K1057-L1129 HydrophobicContact CG-CD2 4.32Å; K1057-I1144 HydrophobicContact CG-CD1 4.11Å; K1057-I1144 HydrophobicContact CG-CG2 4.49Å |
| 1058 | R | 80.7 | Confident | 71.7 | Confident | 62 Ų | 62 | 37.1 Ų | 37.1 | 23% | 0.234 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -67.9 | -42.6 | 176.6 | -73.9 | 177.5 | -174.3 | -152.1 | 9.1 | 112.8 | Q892 T898 D1054 W1055 I1056 Y1060 Q1061 K1062 | Q892-R1058 VanDerWaalsContact CG-NH1 3.27Å; T898-R1058 HydrophobicContact CG2-CB 3.97Å; D1054-R1058 VanDerWaalsContact O-CG 3.31Å; D1054-R1058 WeakPolarHBondContact O-CG 3.22Å; D1054-R1058 PolarHBondContact O-N 3.49Å; W1055-R1058 WeakPolarHBondContact O-CB 3.18Å; W1055-R1058 PolarHBondContact O-N 2.73Å; W1055-R1058 VanDerWaalsContact O-N 3.1Å; I1056-R1058 VanDerWaalsContact C-N 3.29Å; I1056-R1058 PolarHBondContact O-N 3.49Å; R1058-Y1060 PolarHBondContact O-N 3.2Å; R1058-Q1061 PolarHBondContact O-N 2.94Å; R1058-Q1061 VanDerWaalsContact O-N 3.07Å; R1058-K1062 PolarHBondContact O-N 2.91Å |
| 1059 | V | 81.4 | Confident | 70.3 | Confident | 14 Ų | 14 | 41.4 Ų | 41.4 | 9% | 0.085 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -55.2 | -40.6 | 172.2 | 176 | 0 | 0 | 0 | 0 | 110.2 | T898 W1055 I1056 I1103 A1148 R1151 | T898-V1059 HydrophobicContact CG2-CB 4.44Å; T898-V1059 HydrophobicContact CG2-CG2 3.51Å; W1055-V1059 WeakPolarHBondContact O-CG2 3.16Å; W1055-V1059 PolarHBondContact O-N 3.22Å; I1056-V1059 PolarHBondContact O-N 3.15Å; V1059-I1103 HydrophobicContact CG2-CD1 3.85Å; V1059-A1148 HydrophobicContact CG1-CB 4.3Å; V1059-R1151 WeakPolarHBondContact O-CD 3.41Å; V1059-R1151 PolarHBondContact O-NH1 3.2Å |
| 1060 | Y | 75.2 | Confident | 68.2 | Low | 26 Ų | 26 | 42.1 Ų | 42.1 | 10% | 0.102 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -72.5 | -35.1 | 173.9 | 162.8 | -103.2 | 0 | 0 | 0 | 114.5 | I1056 K1057 R1058 S1141 I1144 L1147 R1151 C1328 | I1056-Y1060 PolarHBondContact O-N 2.65Å; K1057-Y1060 CarbonylContact O-C 3.46Å; K1057-Y1060 WeakPolarHBondContact O-CB 3.48Å; K1057-Y1060 PolarHBondContact O-N 3.12Å; R1058-Y1060 PolarHBondContact O-N 3.2Å; Y1060-S1141 WeakPolarHBondContact OH-CB 3.11Å; Y1060-I1144 HydrophobicContact CD1-CG2 4.15Å; Y1060-I1144 HydrophobicContact CG-CG2 3.93Å; Y1060-L1147 HydrophobicContact CD2-CB 3.63Å; Y1060-L1147 HydrophobicContact CD2-CD1 3.88Å; Y1060-L1147 HydrophobicContact CD2-CG 4.4Å; Y1060-L1147 HydrophobicContact CE2-CB 4.03Å; Y1060-L1147 HydrophobicContact CE2-CD1 3.41Å; Y1060-L1147 VanDerWaalsContact CE2-CD1 3.41Å; Y1060-L1147 HydrophobicContact CE2-CG 4.34Å; Y1060-R1151 VanDerWaalsContact C-NH1 3.27Å; Y1060-R1151 PolarHBondContact O-NH1 3.14Å; Y1060-R1151 PolarHBondContact O-NH2 2.6Å; Y1060-C1328 PolarHBondContact OH-SG 3.18Å |
| 1061 | Q | 71 | Confident | 65.7 | Low | 78 Ų | 78 | 42 Ų | 42 | 36% | 0.364 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -81.1 | -46.7 | -175.1 | -76.9 | 168.9 | -5.7 | 0 | 0 | 111.9 | K1057 R1058 | K1057-Q1061 WeakPolarHBondContact O-CB 3.1Å; K1057-Q1061 VanDerWaalsContact O-CG 3.23Å; K1057-Q1061 WeakPolarHBondContact O-CG 3.48Å; K1057-Q1061 PolarHBondContact O-N 3.22Å; R1058-Q1061 PolarHBondContact O-N 2.94Å; R1058-Q1061 VanDerWaalsContact O-N 3.07Å |
| 1062 | K | 57.6 | Low | 63.3 | Low | 111 Ų | 111 | 43.6 Ų | 43.6 | 48% | 0.483 | 21% | 0.208 | S | C | . | . | trans | -138.1 | 116.3 | -170.9 | -68.4 | -177.4 | 178.5 | 179.5 | 0 | 111 | R1058 F1064 | R1058-K1062 PolarHBondContact O-N 2.91Å; K1062-F1064 HydrophobicContact CB-CD2 4.15Å; K1062-F1064 HydrophobicContact CB-CE2 3.83Å; K1062-F1064 HydrophobicContact CB-CZ 4.38Å; K1062-F1064 HydrophobicContact CD-CE2 4.4Å; K1062-F1064 HydrophobicContact CD-CZ 4.18Å; K1062-F1064 PolarHBondContact O-N 2.9Å | ||
| 1063 | S | 53.1 | Low | 60.3 | Low | 39 Ų | 39 | 50.2 Ų | 50.2 | 27% | 0.273 | 24% | 0.24 | S | C | . | . | trans | -80.2 | 94.9 | 162.5 | 169.8 | 0 | 0 | 0 | 0 | 108.2 | F1065 L1066 | S1063-F1065 PolarHBondContact O-N 3.4Å; S1063-L1066 PolarHBondContact OG-N 3.5Å | ||
| 1064 | F | 50.5 | Low | 57.3 | Low | 27 Ų | 27 | 54.1 Ų | 54.1 | 12% | 0.118 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -26.7 | 169.5 | -73.2 | -86.9 | 0 | 0 | 0 | 111.2 | T898 S900 K1062 L1066 K1067 W1068 | T898-F1064 VanDerWaalsContact O-CD2 3.25Å; T898-F1064 WeakPolarHBondContact O-CD2 2.96Å; T898-F1064 WeakPolarHBondContact O-CE2 3.17Å; S900-F1064 WeakPolarHBondContact OG-CE1 3.26Å; K1062-F1064 HydrophobicContact CB-CD2 4.15Å; K1062-F1064 HydrophobicContact CB-CE2 3.83Å; K1062-F1064 HydrophobicContact CB-CZ 4.38Å; K1062-F1064 HydrophobicContact CD-CE2 4.4Å; K1062-F1064 HydrophobicContact CD-CZ 4.18Å; K1062-F1064 PolarHBondContact O-N 2.9Å; F1064-L1066 VanDerWaalsContact C-N 3.32Å; F1064-L1066 PolarHBondContact O-N 3.07Å; F1064-K1067 WeakPolarHBondContact O-CA 3.48Å; F1064-K1067 WeakPolarHBondContact O-CB 3.41Å; F1064-K1067 PolarHBondContact O-N 3.43Å; F1064-W1068 VanDerWaalsContact O-CD1 3.24Å; F1064-W1068 PolarHBondContact O-N 3.29Å |
| 1065 | F | 49 | Very low | 54.5 | Low | 9 Ų | 9 | 56 Ų | 56 | 4% | 0.039 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.3 | -38.3 | -179.8 | -154.2 | -83 | 0 | 0 | 0 | 114.5 | S1063 K1067 W1068 E1091 P1092 I1096 Y1155 | S1063-F1065 PolarHBondContact O-N 3.4Å; F1065-K1067 PolarHBondContact O-N 3.13Å; F1065-W1068 PolarHBondContact O-N 3.39Å; F1065-E1091 HydrophobicContact CE1-CB 4.48Å; F1065-E1091 VanDerWaalsContact CE1-CD 3.4Å; F1065-E1091 HydrophobicContact CE1-CG 3.73Å; F1065-E1091 WeakPolarHBondContact CE1-OE1 3.36Å; F1065-E1091 HydrophobicContact CZ-CB 3.66Å; F1065-E1091 VanDerWaalsContact CZ-CD 3.41Å; F1065-E1091 HydrophobicContact CZ-CG 3.39Å; F1065-P1092 HydrophobicContact CE2-CG 4.34Å; F1065-I1096 HydrophobicContact CD2-CD1 4.25Å; F1065-I1096 HydrophobicContact CE2-CD1 3.34Å; F1065-I1096 HydrophobicContact CE2-CG1 4.03Å; F1065-I1096 HydrophobicContact CZ-CD1 3.73Å; F1065-Y1155 HydrophobicContact CB-CE1 4.03Å; F1065-Y1155 WeakPolarHBondContact CB-OH 3.5Å; F1065-Y1155 AromaticContact CD1-CE1 3.66Å; F1065-Y1155 HydrophobicContact CD1-CE1 3.66Å; F1065-Y1155 HydrophobicContact CD2-CE1 4.22Å; F1065-Y1155 HydrophobicContact CE1-CE1 4.33Å; F1065-Y1155 AromaticContact CG-CE1 3.62Å; F1065-Y1155 HydrophobicContact CG-CE1 3.62Å |
| 1066 | L | 43.9 | Very low | 51.6 | Low | 73 Ų | 73 | 61.1 Ų | 61.1 | 38% | 0.382 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.4 | -23.8 | 175.2 | -85.4 | 150.5 | 0 | 0 | 0 | 112.7 | S1063 F1064 G1337 | S1063-L1066 PolarHBondContact OG-N 3.5Å; F1064-L1066 VanDerWaalsContact C-N 3.32Å; F1064-L1066 PolarHBondContact O-N 3.07Å; L1066-G1337 VanDerWaalsContact CD1-CA 3.44Å |
| 1067 | K | 48.7 | Very low | 48.5 | Very low | 126 Ų | 126 | 64.9 Ų | 64.9 | 55% | 0.548 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -83.4 | -28.5 | 175.7 | -61.9 | -173.2 | 173.5 | -170.8 | 0 | 113.5 | F1064 F1065 K1069 | F1064-K1067 WeakPolarHBondContact O-CA 3.48Å; F1064-K1067 WeakPolarHBondContact O-CB 3.41Å; F1064-K1067 PolarHBondContact O-N 3.43Å; F1065-K1067 PolarHBondContact O-N 3.13Å; K1067-K1069 VanDerWaalsContact C-N 3.28Å; K1067-K1069 PolarHBondContact O-N 3.04Å |
| 1068 | W | 48.3 | Very low | 45.6 | Very low | 25 Ų | 25 | 70.4 Ų | 70.4 | 10% | 0.095 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -74.9 | -15.5 | -179.5 | -60.7 | 130.6 | 0 | 0 | 0 | 114 | G899 P901 L945 F962 F1064 F1065 S1070 | G899-W1068 WeakPolarHBondContact O-CZ2 3.15Å; P901-W1068 VanDerWaalsContact CD-CH2 3.41Å; P901-W1068 HydrophobicContact CG-CH2 4.4Å; L945-W1068 WeakPolarHBondContact CD2-O 3.43Å; F962-W1068 HydrophobicContact CD1-CZ3 4.16Å; F962-W1068 AromaticContact CE1-CE3 3.56Å; F962-W1068 HydrophobicContact CE1-CE3 3.56Å; F962-W1068 AromaticContact CE1-CH2 3.96Å; F962-W1068 HydrophobicContact CE1-CH2 3.96Å; F962-W1068 AromaticContact CE1-CZ3 3.05Å; F962-W1068 HydrophobicContact CE1-CZ3 3.05Å; F962-W1068 HydrophobicContact CE2-CH2 4.2Å; F962-W1068 HydrophobicContact CE2-CZ3 4.08Å; F962-W1068 AromaticContact CZ-CE3 3.75Å; F962-W1068 HydrophobicContact CZ-CE3 3.75Å; F962-W1068 AromaticContact CZ-CH2 3.41Å; F962-W1068 HydrophobicContact CZ-CH2 3.41Å; F962-W1068 VanDerWaalsContact CZ-CH2 3.41Å; F962-W1068 AromaticContact CZ-CZ3 2.99Å; F962-W1068 HydrophobicContact CZ-CZ3 2.99Å; F1064-W1068 VanDerWaalsContact O-CD1 3.24Å; F1064-W1068 PolarHBondContact O-N 3.29Å; F1065-W1068 PolarHBondContact O-N 3.39Å; W1068-S1070 PolarHBondContact O-N 2.89Å |
| 1069 | K | 44.9 | Very low | 42.8 | Very low | 93 Ų | 93 | 70.6 Ų | 70.6 | 40% | 0.404 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -54 | 120.7 | 161.9 | -88.6 | -170.9 | 170.2 | -173.2 | 0 | 106.9 | K1067 L1071 | K1067-K1069 VanDerWaalsContact C-N 3.28Å; K1067-K1069 PolarHBondContact O-N 3.04Å; K1069-L1071 PolarHBondContact O-N 3.05Å |
| 1070 | S | 38.9 | Very low | 40 | Very low | 16 Ų | 16 | 75.3 Ų | 75.3 | 11% | 0.112 | 37% | 0.369 | C | S | . | . | trans | -36.6 | 128.6 | 175.6 | -178.1 | 0 | 0 | 0 | 0 | 108.9 | Q944 W1068 T1072 | Q944-S1070 PolarHBondContact NE2-OG 2.85Å; W1068-S1070 PolarHBondContact O-N 2.89Å; S1070-T1072 PolarHBondContact O-N 3.05Å; S1070-T1072 PolarHBondContact O-OG1 3.01Å; S1070-T1072 VanDerWaalsContact O-OG1 3.1Å; S1070-T1072 WeakPolarHBondContact OG-CG2 3.36Å; S1070-T1072 PolarHBondContact OG-N 2.67Å | ||
| 1071 | L | 31.4 | Very low | 37.4 | Very low | 68 Ų | 68 | 78.5 Ų | 78.5 | 36% | 0.356 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -62.2 | 24.9 | 170.7 | -103.3 | 110.4 | 0 | 0 | 0 | 111.9 | K1069 M1073 F1074 | K1069-L1071 PolarHBondContact O-N 3.05Å; L1071-M1073 PolarHBondContact O-N 3.32Å; L1071-F1074 HydrophobicContact CD2-CD2 3.81Å; L1071-F1074 HydrophobicContact CD2-CE2 3.76Å; L1071-F1074 PolarHBondContact O-N 3.21Å |
| 1072 | T | 31.9 | Very low | 35.1 | Very low | 37 Ų | 37 | 80.9 Ų | 80.9 | 23% | 0.227 | 41% | 0.407 | C | S | . | . | G | 310 helix | trans | -57.6 | -4.8 | 167.2 | 44.9 | 0 | 0 | 0 | 0 | 113.7 | S1070 F1074 Q1075 | S1070-T1072 PolarHBondContact O-N 3.05Å; S1070-T1072 PolarHBondContact O-OG1 3.01Å; S1070-T1072 VanDerWaalsContact O-OG1 3.1Å; S1070-T1072 WeakPolarHBondContact OG-CG2 3.36Å; S1070-T1072 PolarHBondContact OG-N 2.67Å; T1072-F1074 PolarHBondContact O-N 3.29Å; T1072-F1074 VanDerWaalsContact O-N 3.08Å; T1072-Q1075 PolarHBondContact O-N 3.26Å |
| 1073 | M | 25.3 | Very low | 33.5 | Very low | 141 Ų | 141 | 78.6 Ų | 78.6 | 70% | 0.695 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -54.5 | -21.6 | 158.8 | -130.4 | -172.1 | -175.4 | 0 | 0 | 112.1 | L1071 | L1071-M1073 PolarHBondContact O-N 3.32Š|
| 1074 | F | 25.7 | Very low | 32.3 | Very low | 81 Ų | 81 | 80.5 Ų | 80.5 | 36% | 0.355 | 42% | 0.415 | S | S | . | . | G | 310 helix | trans | -84.8 | -20.1 | 170.5 | -79.5 | -78 | 0 | 0 | 0 | 115.3 | L1071 T1072 Q1076 K1077 F1386 | L1071-F1074 HydrophobicContact CD2-CD2 3.81Å; L1071-F1074 HydrophobicContact CD2-CE2 3.76Å; L1071-F1074 PolarHBondContact O-N 3.21Å; T1072-F1074 PolarHBondContact O-N 3.29Å; T1072-F1074 VanDerWaalsContact O-N 3.08Å; F1074-Q1076 VanDerWaalsContact C-N 3.31Å; F1074-Q1076 PolarHBondContact O-N 3.36Å; F1074-K1077 WeakPolarHBondContact O-CB 3.3Å; F1074-K1077 WeakPolarHBondContact O-CG 3.46Å; F1074-K1077 PolarHBondContact O-N 2.99Å; F1074-F1386 HydrophobicContact CZ-CD1 4.07Å; F1074-F1386 AromaticContact CZ-CE1 3.88Å; F1074-F1386 HydrophobicContact CZ-CE1 3.88Å; F1074-F1386 HydrophobicContact CZ-CG 4.48Å; F1074-F1386 HydrophobicContact CZ-CZ 4.14Å |
| 1075 | Q | 26.1 | Very low | 31.5 | Very low | 95 Ų | 95 | 82.4 Ų | 82.4 | 44% | 0.444 | 43% | 0.426 | S | S | . | . | G | 310 helix | trans | -78.8 | -11 | 176.1 | -90.4 | -166.5 | -23.5 | 0 | 0 | 114 | N392 T1072 K1077 F1078 | N392-Q1075 PolarHBondContact ND2-NE2 2.99Å; N392-Q1075 PolarHBondContact ND2-OE1 3.36Å; T1072-Q1075 PolarHBondContact O-N 3.26Å; Q1075-K1077 PolarHBondContact O-N 3.24Å; Q1075-F1078 PolarHBondContact O-N 2.97Å |
| 1076 | Q | 25.7 | Very low | 30.8 | Very low | 110 Ų | 110 | 87 Ų | 87 | 51% | 0.514 | 45% | 0.448 | S | S | . | . | G | 310 helix | trans | -62.4 | -5.7 | 163.5 | -81.6 | -171.8 | -14.4 | 0 | 0 | 113.5 | F1074 F1078 | F1074-Q1076 VanDerWaalsContact C-N 3.31Å; F1074-Q1076 PolarHBondContact O-N 3.36Å; Q1076-F1078 PolarHBondContact O-N 3.29Å |
| 1077 | K | 23.8 | Very low | 30.8 | Very low | 81 Ų | 81 | 85.6 Ų | 85.6 | 35% | 0.352 | 44% | 0.442 | S | S | . | . | G | 310 helix | trans | -62.4 | -19.5 | 163 | -78.3 | -175.2 | -175.7 | 174.7 | 0 | 113.4 | F1074 Q1075 D1389 | F1074-K1077 WeakPolarHBondContact O-CB 3.3Å; F1074-K1077 WeakPolarHBondContact O-CG 3.46Å; F1074-K1077 PolarHBondContact O-N 2.99Å; Q1075-K1077 PolarHBondContact O-N 3.24Å; K1077-D1389 VanDerWaalsContact CE-CG 3.47Å; K1077-D1389 IonicContact NZ-OD1 3.22Å; K1077-D1389 PolarHBondContact NZ-OD1 3.19Å; K1077-D1389 IonicContact NZ-OD2 3.99Å; K1077-D1389 PolarHBondContact NZ-OD2 2.95Å |
| 1078 | F | 25.2 | Very low | 30.7 | Very low | 167 Ų | 167 | 82.8 Ų | 82.8 | 73% | 0.732 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -126.2 | 108.6 | 177.3 | -65.1 | -77.6 | 0 | 0 | 0 | 109.8 | Q1075 Q1076 | Q1075-F1078 PolarHBondContact O-N 2.97Å; Q1076-F1078 PolarHBondContact O-N 3.29Å |
| 1079 | S | 21.5 | Very low | 30.8 | Very low | 66 Ų | 66 | 83.2 Ų | 83.2 | 46% | 0.462 | 44% | 0.438 | S | S | . | . | trans | 77.5 | 137.6 | 165.9 | 75.2 | 0 | 0 | 0 | 0 | 118.8 | I1081 | S1079-I1081 PolarHBondContact O-N 2.99Š| ||
| 1080 | T | 21.5 | Very low | 31.5 | Very low | 113 Ų | 113 | 80.8 Ų | 80.8 | 69% | 0.693 | 43% | 0.429 | S | S | * | . | trans | -68.9 | 62.1 | -179.8 | 45.3 | 0 | 0 | 0 | 0 | 112.6 | T1082 | T1080-T1082 PolarHBondContact O-N 3.45Š| ||
| 1081 | I | 22.3 | Very low | 33.1 | Very low | 92 Ų | 92 | 80.4 Ų | 80.4 | 47% | 0.472 | 43% | 0.425 | S | S | . | . | trans | -78.4 | 91.2 | 176 | -56.4 | 172.5 | 0 | 0 | 0 | 108.4 | S1079 | S1079-I1081 PolarHBondContact O-N 2.99Š| ||
| 1082 | T | 21.2 | Very low | 35.3 | Very low | 128 Ų | 128 | 77.3 Ų | 77.3 | 79% | 0.785 | 41% | 0.409 | S | S | * | . | trans | -101 | 78.5 | 172.4 | 50.8 | 0 | 0 | 0 | 0 | 109.5 | T1080 | T1080-T1082 PolarHBondContact O-N 3.45Š| ||
| 1083 | S | 24.9 | Very low | 37.6 | Very low | 64 Ų | 64 | 75.9 Ų | 75.9 | 45% | 0.448 | 40% | 0.4 | S | S | . | . | trans | -168.7 | 107.9 | 167 | 39.8 | 0 | 0 | 0 | 0 | 114.9 | D1085 | S1083-D1085 PolarHBondContact O-N 3.49Š| ||
| 1084 | T | 28.2 | Very low | 40.1 | Very low | 79 Ų | 79 | 69.5 Ų | 69.5 | 49% | 0.485 | 37% | 0.369 | S | S | . | . | S | Bend | trans | 50.5 | -48.2 | 143.8 | 58.6 | 0 | 0 | 0 | 0 | 123.4 | K1400 | T1084-K1400 PolarHBondContact O-NZ 3.41Š|
| 1085 | D | 33 | Very low | 42.7 | Very low | 66 Ų | 66 | 65.8 Ų | 65.8 | 35% | 0.353 | 35% | 0.353 | S | S | . | . | trans | -127.5 | 10.3 | -154.6 | -64.5 | -57.7 | 0 | 0 | 0 | 117.4 | S1083 | S1083-D1085 PolarHBondContact O-N 3.49Š| ||
| 1086 | E | 35 | Very low | 45.5 | Very low | 107 Ų | 107 | 61.3 Ų | 61.3 | 50% | 0.5 | 33% | 0.332 | S | S | . | . | trans | -86.5 | 138.2 | 179.9 | -64.6 | -173.1 | 163.7 | 0 | 0 | 112.9 | ||||
| 1087 | V | 44 | Very low | 48.4 | Very low | 43 Ų | 43 | 56 Ų | 56 | 26% | 0.261 | 31% | 0.307 | S | S | . | . | S | Bend | trans | 84.8 | 22.5 | 164.4 | -143.4 | 0 | 0 | 0 | 0 | 119.7 | ||
| 1088 | D | 45.6 | Very low | 51.1 | Low | 66 Ų | 66 | 52.2 Ų | 52.2 | 35% | 0.353 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -97.9 | -8.5 | 156.8 | -97.8 | -3.3 | 0 | 0 | 0 | 111.9 | D1090 E1091 R1273 K1277 | D1088-D1090 VanDerWaalsContact C-N 3.33Å; D1088-D1090 PolarHBondContact O-N 3.32Å; D1088-E1091 WeakPolarHBondContact O-CG 3.43Å; D1088-R1273 IonicContact OD1-CZ 3.16Å; D1088-R1273 IonicContact OD1-NH1 3.59Å; D1088-R1273 IonicContact OD1-NH2 3.8Å; D1088-R1273 PolarHBondContact OD1-NH2 3.26Å; D1088-R1273 IonicContact OD2-CZ 3.96Å; D1088-R1273 IonicContact OD2-NH1 3.83Å; D1088-R1273 PolarHBondContact OD2-NH1 3.4Å; D1088-R1273 IonicContact OD2-NH2 3.4Å; D1088-R1273 PolarHBondContact OD2-NH2 3.18Å; D1088-R1273 VanDerWaalsContact OD2-NH2 3.16Å; D1088-K1277 IonicContact OD1-NZ 3.73Å; D1088-K1277 PolarHBondContact OD1-NZ 3.47Å |
| 1089 | N | 51 | Low | 54.1 | Low | 35 Ų | 35 | 44.3 Ų | 44.3 | 19% | 0.187 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -13.4 | -174.9 | -60.7 | -37.3 | 0 | 0 | 0 | 114.5 | P498 S951 | P498-N1089 WeakPolarHBondContact CG-OD1 3.16Å; S951-N1089 WeakPolarHBondContact CB-ND2 3.44Å |
| 1090 | D | 58.5 | Low | 57.3 | Low | 42 Ų | 42 | 41.2 Ų | 41.2 | 23% | 0.225 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -2.6 | -176.9 | -62.1 | -31.8 | 0 | 0 | 0 | 112.7 | S947 N955 D1088 | S947-D1090 WeakPolarHBondContact CB-OD1 3.23Å; S947-D1090 PolarHBondContact OG-OD1 3.09Å; N955-D1090 PolarHBondContact ND2-O 3.4Å; D1088-D1090 VanDerWaalsContact C-N 3.33Å; D1088-D1090 PolarHBondContact O-N 3.32Å |
| 1091 | E | 72.6 | Confident | 60.6 | Low | 7 Ų | 7 | 36.3 Ų | 36.3 | 3% | 0.033 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -68.9 | 132.5 | -178.5 | -56.5 | -162.8 | 157.2 | 0 | 0 | 110.7 | F1065 D1088 H1093 I1096 R1157 R1273 K1277 | F1065-E1091 HydrophobicContact CE1-CB 4.48Å; F1065-E1091 VanDerWaalsContact CE1-CD 3.4Å; F1065-E1091 HydrophobicContact CE1-CG 3.73Å; F1065-E1091 WeakPolarHBondContact CE1-OE1 3.36Å; F1065-E1091 HydrophobicContact CZ-CB 3.66Å; F1065-E1091 VanDerWaalsContact CZ-CD 3.41Å; F1065-E1091 HydrophobicContact CZ-CG 3.39Å; D1088-E1091 WeakPolarHBondContact O-CG 3.43Å; E1091-H1093 PolarHBondContact O-CD2 3.49Å; E1091-H1093 PolarHBondContact O-N 3.36Å; E1091-H1093 PolarHBondContact O-NE2 2.99Å; E1091-I1096 HydrophobicContact CB-CD1 4.01Å; E1091-R1157 IonicContact OE2-CZ 3.21Å; E1091-R1157 IonicContact OE2-NH1 3.92Å; E1091-R1157 IonicContact OE2-NH2 2.72Å; E1091-R1157 PolarHBondContact OE2-NH2 3.42Å; E1091-R1273 IonicContact OE1-CZ 3.42Å; E1091-R1273 IonicContact OE1-NH2 3.64Å; E1091-R1273 PolarHBondContact OE1-NH2 2.93Å; E1091-R1273 IonicContact OE2-CZ 2.64Å; E1091-R1273 IonicContact OE2-NE 3.47Å; E1091-R1273 IonicContact OE2-NH2 3.67Å; E1091-R1273 PolarHBondContact OE2-NH2 2.94Å; E1091-K1277 IonicContact OE1-NZ 2.95Å; E1091-K1277 PolarHBondContact OE1-NZ 3.47Å |
| 1092 | P | 77.5 | Confident | 63.8 | Low | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.019 | 18% | 0.181 | C | C | . | . | trans | -70 | 72.1 | 173.4 | 28.3 | -37.3 | 0 | 0 | 0 | 112 | I896 L960 F1065 L1094 L1095 I1096 | I896-P1092 HydrophobicContact CD1-CB 3.56Å; I896-P1092 HydrophobicContact CD1-CG 3.64Å; I896-P1092 HydrophobicContact CG2-CB 4.47Å; I896-P1092 HydrophobicContact CG2-CG 3.48Å; I896-P1092 VanDerWaalsContact CG2-CG 3.48Å; L960-P1092 HydrophobicContact CD2-CB 4.3Å; F1065-P1092 HydrophobicContact CE2-CG 4.34Å; P1092-L1094 VanDerWaalsContact C-N 3.34Å; P1092-L1094 PolarHBondContact O-N 3.21Å; P1092-L1095 PolarHBondContact O-N 3.01Å; P1092-I1096 HydrophobicContact CG-CD1 4.04Å; P1092-I1096 HydrophobicContact CG-CG1 4.22Å; P1092-I1096 WeakPolarHBondContact O-CD1 3.44Å; P1092-I1096 VanDerWaalsContact O-CG1 3.27Å; P1092-I1096 WeakPolarHBondContact O-CG1 3.45Å; P1092-I1096 PolarHBondContact O-N 2.81Å; P1092-I1096 VanDerWaalsContact O-N 3.16Å | ||
| 1093 | H | 80.7 | Confident | 67.1 | Low | 8 Ų | 8 | 26 Ų | 26 | 4% | 0.037 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -55.3 | -42.5 | -164.3 | -62.2 | -64.8 | 0 | 0 | 0 | 114.1 | N955 E1091 S1097 R1157 V1270 C1271 | N955-H1093 PolarHBondContact O-N 3.36Å; N955-H1093 VanDerWaalsContact O-N 3.12Å; E1091-H1093 PolarHBondContact O-CD2 3.49Å; E1091-H1093 PolarHBondContact O-N 3.36Å; E1091-H1093 PolarHBondContact O-NE2 2.99Å; H1093-S1097 PolarHBondContact O-N 2.82Å; H1093-R1157 PolarHBondContact ND1-NH1 2.63Å; H1093-V1270 HydrophobicContact CB-CG1 4.44Å; H1093-C1271 VanDerWaalsContact CD2-SG 3.6Å |
| 1094 | L | 77.8 | Confident | 70.4 | Confident | 6 Ų | 6 | 22.9 Ų | 22.9 | 3% | 0.031 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.5 | -52.6 | -176.2 | 174.4 | 67.9 | 0 | 0 | 0 | 112 | F476 L477 Y481 L493 Y956 P1092 I1096 S1097 I1098 | F476-L1094 HydrophobicContact CD1-CD2 4.49Å; F476-L1094 HydrophobicContact CE1-CD2 4.44Å; L477-L1094 HydrophobicContact CB-CD2 4.3Å; L477-L1094 HydrophobicContact CD1-CD1 3.8Å; L477-L1094 HydrophobicContact CD1-CD2 3.74Å; L477-L1094 HydrophobicContact CD1-CG 4.42Å; L477-L1094 HydrophobicContact CG-CD2 4.38Å; Y481-L1094 HydrophobicContact CE2-CD1 4.33Å; L493-L1094 HydrophobicContact CD1-CD1 3.32Å; Y956-L1094 HydrophobicContact CD1-CB 4.47Å; Y956-L1094 HydrophobicContact CD1-CD2 3.91Å; P1092-L1094 VanDerWaalsContact C-N 3.34Å; P1092-L1094 PolarHBondContact O-N 3.21Å; L1094-I1096 VanDerWaalsContact C-N 3.33Å; L1094-I1096 PolarHBondContact O-N 3.31Å; L1094-S1097 VanDerWaalsContact O-CB 3.27Å; L1094-S1097 WeakPolarHBondContact O-CB 3.48Å; L1094-S1097 PolarHBondContact O-N 3.12Å; L1094-S1097 VanDerWaalsContact O-N 3.13Å; L1094-I1098 HydrophobicContact CD1-CD1 4.31Å; L1094-I1098 HydrophobicContact CG-CD1 4.29Å; L1094-I1098 PolarHBondContact O-N 3.2Å; L1094-I1098 VanDerWaalsContact O-N 3.15Å |
| 1095 | L | 81.1 | Confident | 73.5 | Confident | 4 Ų | 4 | 20.2 Ų | 20.2 | 2% | 0.021 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -69.3 | -32.5 | -177.6 | -79.6 | 168 | 0 | 0 | 0 | 112 | F476 I896 G957 L1015 P1092 S1097 I1098 E1099 | F476-L1095 HydrophobicContact CE1-CD2 4.19Å; F476-L1095 HydrophobicContact CZ-CD2 4.16Å; I896-L1095 HydrophobicContact CD1-CB 3.42Å; I896-L1095 VanDerWaalsContact CD1-CB 3.42Å; I896-L1095 HydrophobicContact CD1-CD1 3.52Å; I896-L1095 HydrophobicContact CD1-CG 4.11Å; I896-L1095 HydrophobicContact CG1-CB 4.08Å; I896-L1095 HydrophobicContact CG1-CD1 4.26Å; G957-L1095 WeakPolarHBondContact O-CD1 3.22Å; L1015-L1095 HydrophobicContact CD2-CD2 4.21Å; P1092-L1095 PolarHBondContact O-N 3.01Å; L1095-S1097 VanDerWaalsContact C-N 3.31Å; L1095-S1097 PolarHBondContact O-N 3.4Å; L1095-I1098 PolarHBondContact O-N 2.95Å; L1095-E1099 PolarHBondContact O-N 2.94Å |
| 1096 | I | 84.7 | Confident | 76.3 | Confident | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -58.3 | -45.2 | 168.9 | -64.9 | 164.3 | 0 | 0 | 0 | 110.5 | I896 L897 F1065 E1091 P1092 L1094 I1098 S1100 Y1155 | I896-I1096 HydrophobicContact CG2-CG1 4.28Å; L897-I1096 HydrophobicContact CD2-CG2 4.45Å; F1065-I1096 HydrophobicContact CD2-CD1 4.25Å; F1065-I1096 HydrophobicContact CE2-CD1 3.34Å; F1065-I1096 HydrophobicContact CE2-CG1 4.03Å; F1065-I1096 HydrophobicContact CZ-CD1 3.73Å; E1091-I1096 HydrophobicContact CB-CD1 4.01Å; P1092-I1096 HydrophobicContact CG-CD1 4.04Å; P1092-I1096 HydrophobicContact CG-CG1 4.22Å; P1092-I1096 WeakPolarHBondContact O-CD1 3.44Å; P1092-I1096 VanDerWaalsContact O-CG1 3.27Å; P1092-I1096 WeakPolarHBondContact O-CG1 3.45Å; P1092-I1096 PolarHBondContact O-N 2.81Å; P1092-I1096 VanDerWaalsContact O-N 3.16Å; L1094-I1096 VanDerWaalsContact C-N 3.33Å; L1094-I1096 PolarHBondContact O-N 3.31Å; I1096-I1098 PolarHBondContact O-N 3.12Å; I1096-S1100 WeakPolarHBondContact O-CB 3.39Å; I1096-S1100 PolarHBondContact O-N 3.28Å; I1096-S1100 PolarHBondContact O-OG 3.42Å; I1096-Y1155 HydrophobicContact CG2-CD1 4.22Å |
| 1097 | S | 85.3 | Confident | 79.1 | Confident | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -57.5 | -49.2 | 178.3 | -170.5 | 0 | 0 | 0 | 0 | 111 | Y489 H1093 L1094 L1095 S1100 E1101 Q1160 | Y489-S1097 PolarHBondContact OH-O 2.97Å; Y489-S1097 PolarHBondContact OH-OG 3.44Å; H1093-S1097 PolarHBondContact O-N 2.82Å; L1094-S1097 VanDerWaalsContact O-CB 3.27Å; L1094-S1097 WeakPolarHBondContact O-CB 3.48Å; L1094-S1097 PolarHBondContact O-N 3.12Å; L1094-S1097 VanDerWaalsContact O-N 3.13Å; L1095-S1097 VanDerWaalsContact C-N 3.31Å; L1095-S1097 PolarHBondContact O-N 3.4Å; S1097-S1100 PolarHBondContact O-OG 3.24Å; S1097-E1101 PolarHBondContact O-N 3.43Å; S1097-E1101 VanDerWaalsContact O-N 3.09Å; S1097-Q1160 PolarHBondContact O-NE2 2.94Å |
| 1098 | I | 82.3 | Confident | 81.4 | Confident | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -68.5 | -45.1 | -176.7 | -53.9 | 166.1 | 0 | 0 | 0 | 111.8 | Y481 I488 Y489 L1015 L1094 L1095 I1096 E1101 L1102 | Y481-I1098 HydrophobicContact CD2-CD1 4.22Å; Y481-I1098 HydrophobicContact CE2-CD1 3.82Å; Y481-I1098 HydrophobicContact CE2-CG1 3.98Å; I488-I1098 HydrophobicContact CD1-CG2 4.47Å; Y489-I1098 HydrophobicContact CE2-CG1 4.26Å; Y489-I1098 VanDerWaalsContact OH-CA 3.27Å; Y489-I1098 WeakPolarHBondContact OH-CA 3.32Å; Y489-I1098 PolarHBondContact OH-N 3Å; L1015-I1098 HydrophobicContact CD1-CG2 4.1Å; L1015-I1098 HydrophobicContact CD2-CB 4.31Å; L1015-I1098 HydrophobicContact CD2-CD1 3.98Å; L1015-I1098 HydrophobicContact CD2-CG2 3.72Å; L1015-I1098 HydrophobicContact CG-CG2 4.12Å; L1094-I1098 HydrophobicContact CD1-CD1 4.31Å; L1094-I1098 HydrophobicContact CG-CD1 4.29Å; L1094-I1098 PolarHBondContact O-N 3.2Å; L1094-I1098 VanDerWaalsContact O-N 3.15Å; L1095-I1098 PolarHBondContact O-N 2.95Å; I1096-I1098 PolarHBondContact O-N 3.12Å; I1098-E1101 WeakPolarHBondContact O-CB 3.34Å; I1098-E1101 PolarHBondContact O-N 3.21Å; I1098-L1102 HydrophobicContact CG2-CD1 4.35Å; I1098-L1102 WeakPolarHBondContact O-CG 3.33Å; I1098-L1102 PolarHBondContact O-N 2.91Å; I1098-L1102 VanDerWaalsContact O-N 3.17Å |
| 1099 | E | 88 | Confident | 83.5 | Confident | 2 Ų | 2 | 7.2 Ų | 7.2 | 1% | 0.009 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -69.7 | -39.8 | -179.9 | -70 | -177 | -145.4 | 0 | 0 | 112.4 | F890 S895 I896 L897 L1015 L1095 E1101 L1102 I1103 | F890-E1099 HydrophobicContact CZ-CG 4.42Å; S895-E1099 VanDerWaalsContact CA-OE1 3.3Å; S895-E1099 WeakPolarHBondContact CA-OE1 3.48Å; S895-E1099 WeakPolarHBondContact CA-OE2 3.11Å; S895-E1099 WeakPolarHBondContact CB-OE2 3.48Å; S895-E1099 PolarHBondContact OG-OE2 2.92Å; I896-E1099 PolarHBondContact N-OE1 2.88Å; I896-E1099 PolarHBondContact N-OE2 3.4Å; L897-E1099 HydrophobicContact CD1-CB 3.53Å; L897-E1099 HydrophobicContact CG-CB 3.99Å; L897-E1099 PolarHBondContact N-OE2 3.07Å; L897-E1099 VanDerWaalsContact N-OE2 3.13Å; L1015-E1099 HydrophobicContact CD1-CG 4.48Å; L1095-E1099 PolarHBondContact O-N 2.94Å; E1099-E1101 PolarHBondContact O-N 3.16Å; E1099-L1102 PolarHBondContact O-N 3.34Å; E1099-I1103 WeakPolarHBondContact O-CB 3.48Å; E1099-I1103 VanDerWaalsContact O-CG1 3.28Å; E1099-I1103 WeakPolarHBondContact O-CG1 3.25Å; E1099-I1103 PolarHBondContact O-N 3.34Å |
| 1100 | S | 89.2 | Confident | 85.3 | Confident | 0 Ų | 0 | 5.6 Ų | 5.6 | 0% | 0 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -63.3 | -31.7 | 175.9 | 62.4 | 0 | 0 | 0 | 0 | 111.9 | I1096 S1097 T1104 Q1160 | I1096-S1100 WeakPolarHBondContact O-CB 3.39Å; I1096-S1100 PolarHBondContact O-N 3.28Å; I1096-S1100 PolarHBondContact O-OG 3.42Å; S1097-S1100 PolarHBondContact O-OG 3.24Å; S1100-T1104 WeakPolarHBondContact O-CB 3.38Å; S1100-T1104 PolarHBondContact O-N 2.95Å; S1100-T1104 PolarHBondContact O-OG1 3.1Å; S1100-Q1160 PolarHBondContact OG-OE1 3.13Å |
| 1101 | E | 89.2 | Confident | 86.8 | Confident | 11 Ų | 11 | 3.6 Ų | 3.6 | 5% | 0.051 | 2% | 0.016 | C | C | . | . | H | α-helix | trans | -62.6 | -55.2 | 171.6 | -165.9 | 134.5 | 168.4 | 0 | 0 | 112.3 | I488 Y489 S1097 I1098 E1099 I1103 T1104 R1105 Q1160 L1163 | I488-E1101 HydrophobicContact CG2-CB 4.03Å; I488-E1101 HydrophobicContact CG2-CG 3.33Å; I488-E1101 WeakPolarHBondContact CG2-OE1 3.36Å; I488-E1101 VanDerWaalsContact O-OE1 3.07Å; Y489-E1101 WeakPolarHBondContact CE1-OE2 3.34Å; Y489-E1101 PolarHBondContact OH-OE2 2.97Å; S1097-E1101 PolarHBondContact O-N 3.43Å; S1097-E1101 VanDerWaalsContact O-N 3.09Å; I1098-E1101 WeakPolarHBondContact O-CB 3.34Å; I1098-E1101 PolarHBondContact O-N 3.21Å; E1099-E1101 PolarHBondContact O-N 3.16Å; E1101-I1103 VanDerWaalsContact C-N 3.34Å; E1101-I1103 PolarHBondContact O-N 3.4Å; E1101-T1104 PolarHBondContact O-N 2.89Å; E1101-R1105 WeakPolarHBondContact O-CG 3.46Å; E1101-R1105 PolarHBondContact O-N 3.4Å; E1101-Q1160 PolarHBondContact OE2-NE2 2.91Å; E1101-L1163 HydrophobicContact CG-CD1 3.54Å |
| 1102 | L | 89.5 | Confident | 87.4 | Confident | 0 Ų | 0 | 5.8 Ų | 5.8 | 0% | 0 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -60.6 | -45.8 | -175.9 | -72.4 | 173.7 | 0 | 0 | 0 | 110.7 | I488 L1015 M1018 V1022 W1055 I1098 E1099 T1104 R1105 I1106 | I488-L1102 HydrophobicContact CD1-CD2 3.55Å; I488-L1102 HydrophobicContact CD1-CG 4.04Å; I488-L1102 HydrophobicContact CG1-CD2 4.48Å; L1015-L1102 HydrophobicContact CD1-CD1 3.85Å; M1018-L1102 HydrophobicContact CB-CD1 4.08Å; V1022-L1102 HydrophobicContact CB-CD2 4.3Å; V1022-L1102 HydrophobicContact CG2-CD2 4.05Å; W1055-L1102 HydrophobicContact CH2-CB 4.15Å; W1055-L1102 HydrophobicContact CZ3-CB 4.4Å; I1098-L1102 HydrophobicContact CG2-CD1 4.35Å; I1098-L1102 WeakPolarHBondContact O-CG 3.33Å; I1098-L1102 PolarHBondContact O-N 2.91Å; I1098-L1102 VanDerWaalsContact O-N 3.17Å; E1099-L1102 PolarHBondContact O-N 3.34Å; L1102-T1104 PolarHBondContact O-N 3.23Å; L1102-R1105 PolarHBondContact O-N 3.3Å; L1102-I1106 WeakPolarHBondContact O-CD1 3.48Å; L1102-I1106 VanDerWaalsContact O-CG1 3.23Å; L1102-I1106 WeakPolarHBondContact O-CG1 3.36Å; L1102-I1106 PolarHBondContact O-N 3.13Å |
| 1103 | I | 92 | Very high | 87.6 | Confident | 2 Ų | 2 | 5.7 Ų | 5.7 | 1% | 0.01 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -62.2 | -45.2 | 177.3 | -67.2 | 168 | 0 | 0 | 0 | 110.4 | L897 W1055 V1059 E1099 E1101 R1105 I1106 L1107 I1152 | L897-I1103 HydrophobicContact CB-CD1 4.38Å; L897-I1103 HydrophobicContact CD1-CD1 3.46Å; L897-I1103 VanDerWaalsContact CD1-CD1 3.46Å; W1055-I1103 HydrophobicContact CD2-CG1 4.21Å; W1055-I1103 HydrophobicContact CE3-CG1 4.2Å; W1055-I1103 HydrophobicContact CH2-CD1 4.18Å; W1055-I1103 HydrophobicContact CH2-CG1 3.57Å; W1055-I1103 HydrophobicContact CZ2-CD1 3.66Å; W1055-I1103 HydrophobicContact CZ2-CG1 3.56Å; W1055-I1103 HydrophobicContact CZ3-CG1 3.9Å; V1059-I1103 HydrophobicContact CG2-CD1 3.85Å; E1099-I1103 WeakPolarHBondContact O-CB 3.48Å; E1099-I1103 VanDerWaalsContact O-CG1 3.28Å; E1099-I1103 WeakPolarHBondContact O-CG1 3.25Å; E1099-I1103 PolarHBondContact O-N 3.34Å; E1101-I1103 VanDerWaalsContact C-N 3.34Å; E1101-I1103 PolarHBondContact O-N 3.4Å; I1103-R1105 VanDerWaalsContact C-N 3.32Å; I1103-R1105 PolarHBondContact O-N 3.48Å; I1103-I1106 PolarHBondContact O-N 3.03Å; I1103-L1107 HydrophobicContact CG2-CD1 3.91Å; I1103-L1107 HydrophobicContact CG2-CG 4.24Å; I1103-L1107 VanDerWaalsContact O-CG 3.29Å; I1103-L1107 WeakPolarHBondContact O-CG 3.33Å; I1103-L1107 PolarHBondContact O-N 3.21Å; I1103-I1152 HydrophobicContact CD1-CD1 4.24Å; I1103-I1152 HydrophobicContact CG2-CD1 4.34Å; I1103-I1152 HydrophobicContact CG2-CG1 4.17Å |
| 1104 | T | 93.6 | Very high | 87.6 | Confident | 0 Ų | 0 | 5.6 Ų | 5.6 | 0% | 0 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -61.9 | -41.3 | -179.9 | -61.7 | 0 | 0 | 0 | 0 | 111.6 | S1100 E1101 L1102 L1107 L1108 L1156 L1163 L1167 | S1100-T1104 WeakPolarHBondContact O-CB 3.38Å; S1100-T1104 PolarHBondContact O-N 2.95Å; S1100-T1104 PolarHBondContact O-OG1 3.1Å; E1101-T1104 PolarHBondContact O-N 2.89Å; L1102-T1104 PolarHBondContact O-N 3.23Å; T1104-L1107 PolarHBondContact O-N 3.42Å; T1104-L1108 HydrophobicContact CG2-CD1 4.26Å; T1104-L1108 VanDerWaalsContact O-CG 3.3Å; T1104-L1108 WeakPolarHBondContact O-CG 3.38Å; T1104-L1108 PolarHBondContact O-N 3.36Å; T1104-L1156 WeakPolarHBondContact OG1-CD2 3.23Å; T1104-L1163 HydrophobicContact CG2-CB 3.96Å; T1104-L1167 HydrophobicContact CG2-CB 4.1Å; T1104-L1167 HydrophobicContact CG2-CD1 4.18Å; T1104-L1167 HydrophobicContact CG2-CD2 4.12Å; T1104-L1167 HydrophobicContact CG2-CG 4.36Å |
| 1105 | R | 92.6 | Very high | 87.6 | Confident | 23 Ų | 23 | 8.5 Ų | 8.5 | 9% | 0.087 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -62.5 | -43.6 | 174.5 | -74.7 | 176.3 | 66.9 | 179.2 | -0.9 | 112.6 | V1022 N1023 E1026 E1101 L1102 I1103 L1108 L1109 L1163 | V1022-R1105 HydrophobicContact CG1-CB 3.97Å; N1023-R1105 PolarHBondContact OD1-NH2 3.13Å; E1026-R1105 VanDerWaalsContact CD-NH2 3.27Å; E1026-R1105 WeakPolarHBondContact OE1-CB 3.45Å; E1026-R1105 IonicContact OE1-CZ 3.37Å; E1026-R1105 IonicContact OE1-NE 3.63Å; E1026-R1105 PolarHBondContact OE1-NE 3.48Å; E1026-R1105 IonicContact OE1-NH2 3.19Å; E1026-R1105 PolarHBondContact OE1-NH2 3.4Å; E1026-R1105 IonicContact OE2-CZ 2.85Å; E1026-R1105 IonicContact OE2-NE 2.71Å; E1026-R1105 IonicContact OE2-NH2 2.81Å; E1026-R1105 PolarHBondContact OE2-NH2 3.1Å; E1101-R1105 WeakPolarHBondContact O-CG 3.46Å; E1101-R1105 PolarHBondContact O-N 3.4Å; L1102-R1105 PolarHBondContact O-N 3.3Å; I1103-R1105 VanDerWaalsContact C-N 3.32Å; I1103-R1105 PolarHBondContact O-N 3.48Å; R1105-L1108 PolarHBondContact O-N 3.37Å; R1105-L1109 WeakPolarHBondContact O-CB 3.29Å; R1105-L1109 PolarHBondContact O-N 2.83Å; R1105-L1163 HydrophobicContact CG-CD1 4.42Å; R1105-L1163 HydrophobicContact CG-CD2 3.97Å |
| 1106 | I | 92.6 | Very high | 87.2 | Confident | 1 Ų | 1 | 11.4 Ų | 11.4 | 1% | 0.005 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -63.7 | -42.8 | 175.5 | -61.7 | 159.9 | 0 | 0 | 0 | 110.8 | V1022 L1052 W1055 I1056 L1102 I1103 L1108 L1109 F1110 | V1022-I1106 HydrophobicContact CG1-CG1 4.39Å; V1022-I1106 HydrophobicContact CG2-CD1 3.74Å; V1022-I1106 HydrophobicContact CG2-CG1 3.6Å; L1052-I1106 HydrophobicContact CD2-CD1 4.02Å; W1055-I1106 HydrophobicContact CE3-CD1 3.89Å; W1055-I1106 HydrophobicContact CZ3-CD1 3.69Å; I1056-I1106 HydrophobicContact CD1-CG2 3.74Å; L1102-I1106 WeakPolarHBondContact O-CD1 3.48Å; L1102-I1106 VanDerWaalsContact O-CG1 3.23Å; L1102-I1106 WeakPolarHBondContact O-CG1 3.36Å; L1102-I1106 PolarHBondContact O-N 3.13Å; I1103-I1106 PolarHBondContact O-N 3.03Å; I1106-L1108 VanDerWaalsContact C-N 3.33Å; I1106-L1108 PolarHBondContact O-N 2.81Å; I1106-L1109 WeakPolarHBondContact O-CB 3.48Å; I1106-L1109 PolarHBondContact O-N 3.23Å; I1106-F1110 HydrophobicContact CG2-CD1 4.17Å; I1106-F1110 HydrophobicContact CG2-CD2 4.16Å; I1106-F1110 HydrophobicContact CG2-CE1 3.87Å; I1106-F1110 HydrophobicContact CG2-CE2 3.89Å; I1106-F1110 HydrophobicContact CG2-CG 4.3Å; I1106-F1110 HydrophobicContact CG2-CZ 3.72Å; I1106-F1110 WeakPolarHBondContact O-CB 3.35Å; I1106-F1110 WeakPolarHBondContact O-CG 3.3Å; I1106-F1110 PolarHBondContact O-N 3.26Å |
| 1107 | L | 94.2 | Very high | 86.2 | Confident | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -61.4 | -42.1 | 177.2 | -70.3 | 171.8 | 0 | 0 | 0 | 111.6 | I1056 I1103 T1104 F1110 S1111 I1145 A1148 A1149 I1152 L1167 | I1056-L1107 HydrophobicContact CD1-CD2 4.07Å; I1056-L1107 HydrophobicContact CG1-CD2 4.13Å; I1056-L1107 HydrophobicContact CG2-CD2 4.1Å; I1103-L1107 HydrophobicContact CG2-CD1 3.91Å; I1103-L1107 HydrophobicContact CG2-CG 4.24Å; I1103-L1107 VanDerWaalsContact O-CG 3.29Å; I1103-L1107 WeakPolarHBondContact O-CG 3.33Å; I1103-L1107 PolarHBondContact O-N 3.21Å; T1104-L1107 PolarHBondContact O-N 3.42Å; L1107-F1110 PolarHBondContact O-N 3.3Å; L1107-S1111 VanDerWaalsContact O-CB 3.28Å; L1107-S1111 WeakPolarHBondContact O-CB 3.27Å; L1107-S1111 PolarHBondContact O-N 2.86Å; L1107-I1145 HydrophobicContact CD2-CB 4.38Å; L1107-I1145 HydrophobicContact CD2-CG2 3.87Å; L1107-A1148 HydrophobicContact CD1-CB 4.36Å; L1107-A1148 HydrophobicContact CD2-CB 3.94Å; L1107-A1149 HydrophobicContact CD1-CB 4.29Å; L1107-I1152 HydrophobicContact CD1-CG2 3.95Å; L1107-L1167 HydrophobicContact CB-CD1 4.4Å; L1107-L1167 HydrophobicContact CD1-CD1 4.39Å |
| 1108 | L | 92.2 | Very high | 85.2 | Confident | 4 Ų | 4 | 25.1 Ų | 25.1 | 2% | 0.021 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.2 | -47.9 | 174.9 | -72.2 | 170.5 | 0 | 0 | 0 | 111.5 | T1104 R1105 I1106 F1110 S1111 Q1112 L1163 R1166 E1170 V1171 | T1104-L1108 HydrophobicContact CG2-CD1 4.26Å; T1104-L1108 VanDerWaalsContact O-CG 3.3Å; T1104-L1108 WeakPolarHBondContact O-CG 3.38Å; T1104-L1108 PolarHBondContact O-N 3.36Å; R1105-L1108 PolarHBondContact O-N 3.37Å; I1106-L1108 VanDerWaalsContact C-N 3.33Å; I1106-L1108 PolarHBondContact O-N 2.81Å; L1108-F1110 PolarHBondContact O-N 3.11Å; L1108-S1111 WeakPolarHBondContact O-CB 3.49Å; L1108-S1111 PolarHBondContact O-N 2.85Å; L1108-Q1112 WeakPolarHBondContact O-CG 3.38Å; L1108-Q1112 PolarHBondContact O-N 2.78Å; L1108-L1163 HydrophobicContact CD1-CD2 3.96Å; L1108-R1166 HydrophobicContact CD1-CB 3.94Å; L1108-R1166 HydrophobicContact CD2-CB 3.89Å; L1108-E1170 HydrophobicContact CD2-CB 4.02Å; L1108-V1171 HydrophobicContact CD2-CG2 3.93Å |
| 1109 | L | 88.7 | Confident | 84.7 | Confident | 4 Ų | 4 | 25.3 Ų | 25.3 | 2% | 0.021 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -56.3 | -48.9 | 176.3 | -179.4 | 86.3 | 0 | 0 | 0 | 111.5 | L1025 E1026 I1029 I1030 R1105 I1106 Q1112 I1113 | L1025-L1109 HydrophobicContact CB-CD2 3.83Å; E1026-L1109 HydrophobicContact CB-CD1 4.41Å; E1026-L1109 HydrophobicContact CG-CD1 3.91Å; I1029-L1109 HydrophobicContact CB-CD1 4.06Å; I1029-L1109 HydrophobicContact CD1-CD1 4.13Å; I1029-L1109 HydrophobicContact CD1-CD2 3.84Å; I1029-L1109 HydrophobicContact CD1-CG 4.22Å; I1029-L1109 HydrophobicContact CG2-CD1 4.12Å; I1030-L1109 HydrophobicContact CD1-CD1 4.04Å; I1030-L1109 HydrophobicContact CG1-CD1 3.95Å; R1105-L1109 WeakPolarHBondContact O-CB 3.29Å; R1105-L1109 PolarHBondContact O-N 2.83Å; I1106-L1109 WeakPolarHBondContact O-CB 3.48Å; I1106-L1109 PolarHBondContact O-N 3.23Å; L1109-Q1112 PolarHBondContact O-N 3.44Å; L1109-I1113 HydrophobicContact CG-CD1 4.29Å; L1109-I1113 WeakPolarHBondContact O-CG1 3.39Å; L1109-I1113 PolarHBondContact O-N 3.3Å |
| 1110 | F | 89.9 | Confident | 84 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -68.7 | -37.4 | -178.8 | -74.4 | 9.2 | 0 | 0 | 0 | 111.6 | L1049 L1052 I1053 I1056 I1106 L1107 L1108 Q1112 I1113 L1114 L1125 L1129 I1145 | L1049-F1110 HydrophobicContact CD2-CE1 3.42Å; L1049-F1110 VanDerWaalsContact CD2-CE1 3.42Å; L1049-F1110 HydrophobicContact CD2-CZ 3.52Å; L1052-F1110 HydrophobicContact CB-CZ 4.19Å; I1053-F1110 HydrophobicContact CG1-CE2 3.96Å; I1053-F1110 HydrophobicContact CG1-CZ 4.49Å; I1056-F1110 HydrophobicContact CD1-CD2 3.52Å; I1056-F1110 HydrophobicContact CD1-CE2 3.53Å; I1106-F1110 HydrophobicContact CG2-CD1 4.17Å; I1106-F1110 HydrophobicContact CG2-CD2 4.16Å; I1106-F1110 HydrophobicContact CG2-CE1 3.87Å; I1106-F1110 HydrophobicContact CG2-CE2 3.89Å; I1106-F1110 HydrophobicContact CG2-CG 4.3Å; I1106-F1110 HydrophobicContact CG2-CZ 3.72Å; I1106-F1110 WeakPolarHBondContact O-CB 3.35Å; I1106-F1110 WeakPolarHBondContact O-CG 3.3Å; I1106-F1110 PolarHBondContact O-N 3.26Å; L1107-F1110 PolarHBondContact O-N 3.3Å; L1108-F1110 PolarHBondContact O-N 3.11Å; F1110-Q1112 VanDerWaalsContact C-N 3.35Å; F1110-Q1112 PolarHBondContact O-N 2.83Å; F1110-I1113 HydrophobicContact CD1-CD1 4.31Å; F1110-I1113 PolarHBondContact O-N 3.01Å; F1110-L1114 WeakPolarHBondContact O-CG 3.21Å; F1110-L1114 PolarHBondContact O-N 2.96Å; F1110-L1125 HydrophobicContact CB-CD1 4.34Å; F1110-L1125 HydrophobicContact CD1-CD1 4.22Å; F1110-L1125 HydrophobicContact CD2-CD2 4.24Å; F1110-L1125 HydrophobicContact CE2-CD2 4.16Å; F1110-L1125 HydrophobicContact CG-CD1 4.15Å; F1110-L1125 HydrophobicContact CZ-CD2 4.41Å; F1110-L1129 HydrophobicContact CD2-CD1 3.63Å; F1110-L1129 HydrophobicContact CE2-CD1 4.05Å; F1110-I1145 HydrophobicContact CB-CD1 3.92Å |
| 1111 | S | 89.4 | Confident | 83.4 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -57.3 | -48.7 | 172.3 | -175.2 | 0 | 0 | 0 | 0 | 111.1 | L1107 L1108 I1113 L1114 E1115 E1170 Q1177 | L1107-S1111 VanDerWaalsContact O-CB 3.28Å; L1107-S1111 WeakPolarHBondContact O-CB 3.27Å; L1107-S1111 PolarHBondContact O-N 2.86Å; L1108-S1111 WeakPolarHBondContact O-CB 3.49Å; L1108-S1111 PolarHBondContact O-N 2.85Å; S1111-I1113 PolarHBondContact O-N 3.49Å; S1111-L1114 PolarHBondContact O-N 3.35Å; S1111-L1114 VanDerWaalsContact O-N 3.16Å; S1111-E1115 PolarHBondContact O-N 3.48Å; S1111-E1115 VanDerWaalsContact O-N 3.16Å; S1111-E1170 PolarHBondContact OG-O 3.35Å; S1111-E1170 VanDerWaalsContact OG-O 3.04Å; S1111-Q1177 PolarHBondContact OG-NE2 3.07Å |
| 1112 | Q | 86 | Confident | 82.8 | Confident | 54 Ų | 54 | 28.3 Ų | 28.3 | 25% | 0.252 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -62.3 | -38.6 | 178.6 | -71.1 | -179.9 | -5.8 | 0 | 0 | 112.8 | L1108 L1109 F1110 E1115 E1170 | L1108-Q1112 WeakPolarHBondContact O-CG 3.38Å; L1108-Q1112 PolarHBondContact O-N 2.78Å; L1109-Q1112 PolarHBondContact O-N 3.44Å; F1110-Q1112 VanDerWaalsContact C-N 3.35Å; F1110-Q1112 PolarHBondContact O-N 2.83Å; Q1112-E1115 PolarHBondContact O-N 3.12Å; Q1112-E1170 PolarHBondContact NE2-OE2 2.76Å |
| 1113 | I | 81.6 | Confident | 82.3 | Confident | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.7 | -41.9 | 174.7 | -66 | 163.6 | 0 | 0 | 0 | 111.1 | I1029 L1109 F1110 S1111 E1115 L1116 L1121 S1122 L1125 | I1029-I1113 HydrophobicContact CD1-CD1 3.76Å; I1029-I1113 HydrophobicContact CG1-CD1 4.36Å; I1029-I1113 HydrophobicContact CG2-CD1 3.74Å; I1029-I1113 HydrophobicContact CG2-CG1 3.53Å; L1109-I1113 HydrophobicContact CG-CD1 4.29Å; L1109-I1113 WeakPolarHBondContact O-CG1 3.39Å; L1109-I1113 PolarHBondContact O-N 3.3Å; F1110-I1113 HydrophobicContact CD1-CD1 4.31Å; F1110-I1113 PolarHBondContact O-N 3.01Å; S1111-I1113 PolarHBondContact O-N 3.49Å; I1113-E1115 PolarHBondContact O-N 3.47Å; I1113-L1116 WeakPolarHBondContact O-CB 3.3Å; I1113-L1116 PolarHBondContact O-N 3.15Å; I1113-L1121 HydrophobicContact CD1-CD2 3.73Å; I1113-L1121 HydrophobicContact CG1-CD2 4.31Å; I1113-L1121 HydrophobicContact CG2-CB 4.15Å; I1113-L1121 HydrophobicContact CG2-CD2 3.97Å; I1113-L1121 HydrophobicContact CG2-CG 3.99Å; I1113-S1122 WeakPolarHBondContact O-CB 3.45Å; I1113-L1125 HydrophobicContact CB-CD1 3.98Å; I1113-L1125 HydrophobicContact CD1-CD1 3.98Å; I1113-L1125 HydrophobicContact CG2-CD1 3.75Å |
| 1114 | L | 80.3 | Confident | 81.7 | Confident | 6 Ų | 6 | 35.5 Ų | 35.5 | 3% | 0.031 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.4 | -29.3 | -179.4 | -75.6 | -177.8 | 0 | 0 | 0 | 113.3 | F1110 S1111 L1116 L1125 K1126 I1145 L1180 | F1110-L1114 WeakPolarHBondContact O-CG 3.21Å; F1110-L1114 PolarHBondContact O-N 2.96Å; S1111-L1114 PolarHBondContact O-N 3.35Å; S1111-L1114 VanDerWaalsContact O-N 3.16Å; L1114-L1116 PolarHBondContact O-N 2.95Å; L1114-L1125 HydrophobicContact CD2-CB 3.91Å; L1114-K1126 HydrophobicContact CD2-CB 4.43Å; L1114-K1126 HydrophobicContact CD2-CD 4.4Å; L1114-K1126 HydrophobicContact CD2-CG 3.44Å; L1114-K1126 VanDerWaalsContact CD2-CG 3.44Å; L1114-I1145 HydrophobicContact CD1-CD1 3.28Å; L1114-I1145 HydrophobicContact CG-CD1 4.28Å; L1114-L1180 HydrophobicContact CD1-CD1 4.38Å |
| 1115 | E | 77.9 | Confident | 81.2 | Confident | 66 Ų | 66 | 35.5 Ų | 35.5 | 31% | 0.308 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -17.1 | 174.5 | -71.7 | -172 | 165.7 | 0 | 0 | 113.3 | S1111 Q1112 I1113 N1117 N1174 R1176 | S1111-E1115 PolarHBondContact O-N 3.48Å; S1111-E1115 VanDerWaalsContact O-N 3.16Å; Q1112-E1115 PolarHBondContact O-N 3.12Å; I1113-E1115 PolarHBondContact O-N 3.47Å; E1115-N1117 PolarHBondContact O-N 2.93Å; E1115-N1174 PolarHBondContact OE1-ND2 2.87Å; E1115-R1176 PolarHBondContact O-NH1 2.86Å |
| 1116 | L | 73 | Confident | 80.6 | Confident | 66 Ų | 66 | 37 Ų | 37 | 35% | 0.346 | 18% | 0.184 | S | C | . | . | trans | -95.2 | 82.7 | 178.6 | -56.2 | 172.1 | 0 | 0 | 0 | 109.7 | H1035 I1113 L1114 E1118 S1119 S1122 | H1035-L1116 VanDerWaalsContact NE2-CD1 3.26Å; H1035-L1116 WeakPolarHBondContact NE2-CD1 3.44Å; I1113-L1116 WeakPolarHBondContact O-CB 3.3Å; I1113-L1116 PolarHBondContact O-N 3.15Å; L1114-L1116 PolarHBondContact O-N 2.95Å; L1116-E1118 PolarHBondContact O-N 2.58Å; L1116-S1119 PolarHBondContact O-N 2.96Å; L1116-S1119 PolarHBondContact O-OG 2.89Å; L1116-S1122 VanDerWaalsContact O-CB 3.26Å; L1116-S1122 WeakPolarHBondContact O-CB 3.49Å; L1116-S1122 PolarHBondContact O-OG 3.42Å | ||
| 1117 | N | 62 | Low | 80 | Confident | 104 Ų | 104 | 41 Ų | 41 | 56% | 0.556 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -20.5 | -174.8 | -80 | -24.2 | 0 | 0 | 0 | 115.2 | E1115 K1126 | E1115-N1117 PolarHBondContact O-N 2.93Å; N1117-K1126 PolarHBondContact OD1-NZ 2.66Å |
| 1118 | E | 64.7 | Low | 79.4 | Confident | 184 Ų | 184 | 41.9 Ų | 41.9 | 86% | 0.86 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -6.7 | -172.9 | -62.1 | -177.1 | 170.1 | 0 | 0 | 114 | L1116 | L1116-E1118 PolarHBondContact O-N 2.58Š|
| 1119 | S | 71.7 | Confident | 78.9 | Confident | 4 Ų | 4 | 41.7 Ų | 41.7 | 3% | 0.028 | 22% | 0.217 | C | C | . | . | trans | -88.8 | 138.5 | -176.5 | 70.4 | 0 | 0 | 0 | 0 | 113.1 | H1035 L1116 L1121 S1122 V1123 | H1035-S1119 WeakPolarHBondContact O-CB 3.47Å; L1116-S1119 PolarHBondContact O-N 2.96Å; L1116-S1119 PolarHBondContact O-OG 2.89Å; S1119-L1121 PolarHBondContact O-N 3.08Å; S1119-S1122 PolarHBondContact O-N 2.89Å; S1119-S1122 VanDerWaalsContact O-N 3.09Å; S1119-S1122 PolarHBondContact O-OG 3.18Å; S1119-S1122 VanDerWaalsContact OG-CB 3.29Å; S1119-S1122 WeakPolarHBondContact OG-CB 3.46Å; S1119-S1122 PolarHBondContact OG-N 3.35Å; S1119-S1122 VanDerWaalsContact OG-N 3.11Å; S1119-S1122 PolarHBondContact OG-OG 3.45Å; S1119-V1123 PolarHBondContact O-N 2.78Å | ||
| 1120 | N | 73.2 | Confident | 78.3 | Confident | 71 Ų | 71 | 42 Ų | 42 | 38% | 0.38 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -59.2 | -29.8 | 172.4 | -67.4 | -51.6 | 0 | 0 | 0 | 111.8 | L1039 L1042 V1123 Y1124 | L1039-N1120 HydrophobicContact CD2-CB 4.49Å; L1039-N1120 HydrophobicContact CG-CB 4.49Å; L1042-N1120 HydrophobicContact CD1-CB 4.27Å; N1120-V1123 PolarHBondContact O-N 3.35Å; N1120-Y1124 PolarHBondContact O-N 3.47Å |
| 1121 | L | 76.8 | Confident | 77 | Confident | 5 Ų | 5 | 43.4 Ų | 43.4 | 3% | 0.026 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.6 | -40.5 | 176.5 | -164.7 | 63.5 | 0 | 0 | 0 | 111.9 | H1035 L1042 I1045 L1049 I1113 S1119 V1123 Y1124 L1125 | H1035-L1121 HydrophobicContact CB-CB 4.33Å; H1035-L1121 HydrophobicContact CB-CD2 4.09Å; L1042-L1121 HydrophobicContact CD2-CD1 4.12Å; I1045-L1121 HydrophobicContact CG2-CD1 4.43Å; L1049-L1121 HydrophobicContact CD1-CD1 3.44Å; L1049-L1121 VanDerWaalsContact CD1-CD1 3.44Å; L1049-L1121 HydrophobicContact CD1-CD2 4.48Å; L1049-L1121 HydrophobicContact CD1-CG 4.29Å; I1113-L1121 HydrophobicContact CD1-CD2 3.73Å; I1113-L1121 HydrophobicContact CG1-CD2 4.31Å; I1113-L1121 HydrophobicContact CG2-CB 4.15Å; I1113-L1121 HydrophobicContact CG2-CD2 3.97Å; I1113-L1121 HydrophobicContact CG2-CG 3.99Å; S1119-L1121 PolarHBondContact O-N 3.08Å; L1121-V1123 VanDerWaalsContact C-N 3.33Å; L1121-Y1124 PolarHBondContact O-N 2.86Å; L1121-L1125 WeakPolarHBondContact O-CB 3.49Å; L1121-L1125 WeakPolarHBondContact O-CG 3.32Å; L1121-L1125 PolarHBondContact O-N 3.42Å |
| 1122 | S | 78.2 | Confident | 75.2 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.6 | -37.2 | 175.4 | 75.1 | 0 | 0 | 0 | 0 | 111.1 | I1113 L1116 S1119 L1125 K1126 | I1113-S1122 WeakPolarHBondContact O-CB 3.45Å; L1116-S1122 VanDerWaalsContact O-CB 3.26Å; L1116-S1122 WeakPolarHBondContact O-CB 3.49Å; L1116-S1122 PolarHBondContact O-OG 3.42Å; S1119-S1122 PolarHBondContact O-N 2.89Å; S1119-S1122 VanDerWaalsContact O-N 3.09Å; S1119-S1122 PolarHBondContact O-OG 3.18Å; S1119-S1122 VanDerWaalsContact OG-CB 3.29Å; S1119-S1122 WeakPolarHBondContact OG-CB 3.46Å; S1119-S1122 PolarHBondContact OG-N 3.35Å; S1119-S1122 VanDerWaalsContact OG-N 3.11Å; S1119-S1122 PolarHBondContact OG-OG 3.45Å; S1122-L1125 PolarHBondContact O-N 2.67Å; S1122-K1126 VanDerWaalsContact O-CB 3.3Å; S1122-K1126 WeakPolarHBondContact O-CB 3.5Å; S1122-K1126 WeakPolarHBondContact O-CG 3.4Å; S1122-K1126 PolarHBondContact O-N 3.43Å |
| 1123 | V | 78.9 | Confident | 73.3 | Confident | 87 Ų | 87 | 47.3 Ų | 47.3 | 53% | 0.527 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.4 | -45.4 | 172.7 | 179.7 | 0 | 0 | 0 | 0 | 111.3 | S1119 N1120 L1121 K1126 S1127 | S1119-V1123 PolarHBondContact O-N 2.78Å; N1120-V1123 PolarHBondContact O-N 3.35Å; L1121-V1123 VanDerWaalsContact C-N 3.33Å; V1123-K1126 PolarHBondContact O-N 3.32Å; V1123-S1127 PolarHBondContact O-N 3.47Å; V1123-S1127 PolarHBondContact O-OG 3.43Å |
| 1124 | Y | 79.4 | Confident | 71.6 | Confident | 65 Ų | 65 | 53.8 Ų | 53.8 | 26% | 0.255 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.5 | -48.4 | 176.8 | 176.2 | -106.7 | 0 | 0 | 0 | 112.4 | S1046 L1049 I1053 N1120 L1121 S1127 S1128 | S1046-Y1124 PolarHBondContact O-OH 3.08Å; L1049-Y1124 HydrophobicContact CB-CE1 4.39Å; I1053-Y1124 HydrophobicContact CD1-CE1 3.83Å; N1120-Y1124 PolarHBondContact O-N 3.47Å; L1121-Y1124 PolarHBondContact O-N 2.86Å; Y1124-S1127 PolarHBondContact O-N 2.89Å; Y1124-S1127 PolarHBondContact O-OG 3.32Å; Y1124-S1128 WeakPolarHBondContact O-CB 3.43Å; Y1124-S1128 PolarHBondContact O-N 3.23Å; Y1124-S1128 VanDerWaalsContact O-N 3.09Å; Y1124-S1128 PolarHBondContact O-OG 3.2Å |
| 1125 | L | 81.5 | Confident | 69.7 | Low | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.5 | -42.1 | 177.3 | -72.2 | -179 | 0 | 0 | 0 | 111.8 | L1049 I1053 F1110 I1113 L1114 L1121 S1122 S1127 S1128 L1129 | L1049-L1125 HydrophobicContact CD1-CD2 4.47Å; I1053-L1125 HydrophobicContact CD1-CD2 3.76Å; I1053-L1125 HydrophobicContact CG1-CD2 4.11Å; F1110-L1125 HydrophobicContact CB-CD1 4.34Å; F1110-L1125 HydrophobicContact CD1-CD1 4.22Å; F1110-L1125 HydrophobicContact CD2-CD2 4.24Å; F1110-L1125 HydrophobicContact CE2-CD2 4.16Å; F1110-L1125 HydrophobicContact CG-CD1 4.15Å; F1110-L1125 HydrophobicContact CZ-CD2 4.41Å; I1113-L1125 HydrophobicContact CB-CD1 3.98Å; I1113-L1125 HydrophobicContact CD1-CD1 3.98Å; I1113-L1125 HydrophobicContact CG2-CD1 3.75Å; L1114-L1125 HydrophobicContact CD2-CB 3.91Å; L1121-L1125 WeakPolarHBondContact O-CB 3.49Å; L1121-L1125 WeakPolarHBondContact O-CG 3.32Å; L1121-L1125 PolarHBondContact O-N 3.42Å; S1122-L1125 PolarHBondContact O-N 2.67Å; L1125-S1127 PolarHBondContact O-N 3.1Å; L1125-S1128 PolarHBondContact O-N 3.26Å; L1125-S1128 VanDerWaalsContact O-N 3.14Å; L1125-L1129 HydrophobicContact CD2-CD1 4.23Å; L1125-L1129 WeakPolarHBondContact O-CB 3.31Å; L1125-L1129 PolarHBondContact O-N 3.17Å |
| 1126 | K | 80.8 | Confident | 67.9 | Low | 56 Ų | 56 | 61.3 Ų | 61.3 | 24% | 0.243 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -56.8 | -49.6 | 173.4 | -76.1 | 177.4 | -174 | 178.6 | 0 | 110.4 | L1114 N1117 S1122 V1123 S1128 C1130 | L1114-K1126 HydrophobicContact CD2-CB 4.43Å; L1114-K1126 HydrophobicContact CD2-CD 4.4Å; L1114-K1126 HydrophobicContact CD2-CG 3.44Å; L1114-K1126 VanDerWaalsContact CD2-CG 3.44Å; N1117-K1126 PolarHBondContact OD1-NZ 2.66Å; S1122-K1126 VanDerWaalsContact O-CB 3.3Å; S1122-K1126 WeakPolarHBondContact O-CB 3.5Å; S1122-K1126 WeakPolarHBondContact O-CG 3.4Å; S1122-K1126 PolarHBondContact O-N 3.43Å; V1123-K1126 PolarHBondContact O-N 3.32Å; K1126-S1128 PolarHBondContact O-N 3.47Å; K1126-S1128 VanDerWaalsContact O-N 3.17Å; K1126-C1130 CarbonylContact O-C 3.52Å; K1126-C1130 VanDerWaalsContact O-CA 3.29Å; K1126-C1130 WeakPolarHBondContact O-CA 3.46Å; K1126-C1130 VanDerWaalsContact O-CB 3.24Å; K1126-C1130 WeakPolarHBondContact O-CB 3.41Å; K1126-C1130 PolarHBondContact O-N 3.32Å |
| 1127 | S | 79.5 | Confident | 66.7 | Low | 84 Ų | 84 | 66.5 Ų | 66.5 | 59% | 0.587 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -63 | -24.3 | 179.7 | 70.7 | 0 | 0 | 0 | 0 | 114.2 | V1123 Y1124 L1125 | V1123-S1127 PolarHBondContact O-N 3.47Å; V1123-S1127 PolarHBondContact O-OG 3.43Å; Y1124-S1127 PolarHBondContact O-N 2.89Å; Y1124-S1127 PolarHBondContact O-OG 3.32Å; L1125-S1127 PolarHBondContact O-N 3.1Å |
| 1128 | S | 81.3 | Confident | 65.7 | Low | 19 Ų | 19 | 69 Ų | 69 | 13% | 0.133 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -99 | -32.3 | -174.1 | -59.5 | 0 | 0 | 0 | 0 | 114.3 | K1057 Y1124 L1125 K1126 | K1057-S1128 WeakPolarHBondContact CE-O 3.48Å; K1057-S1128 PolarHBondContact NZ-O 3.16Å; K1057-S1128 VanDerWaalsContact NZ-O 3.15Å; Y1124-S1128 WeakPolarHBondContact O-CB 3.43Å; Y1124-S1128 PolarHBondContact O-N 3.23Å; Y1124-S1128 VanDerWaalsContact O-N 3.09Å; Y1124-S1128 PolarHBondContact O-OG 3.2Å; L1125-S1128 PolarHBondContact O-N 3.26Å; L1125-S1128 VanDerWaalsContact O-N 3.14Å; K1126-S1128 PolarHBondContact O-N 3.47Å; K1126-S1128 VanDerWaalsContact O-N 3.17Å |
| 1129 | L | 82.8 | Confident | 64.9 | Low | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -117.2 | -13.4 | -173.8 | -70.5 | 171.5 | 0 | 0 | 0 | 113.6 | I1053 I1056 K1057 F1110 L1125 I1144 I1145 | I1053-L1129 HydrophobicContact CB-CD2 4.47Å; I1053-L1129 HydrophobicContact CG1-CD1 4.17Å; I1053-L1129 HydrophobicContact CG1-CG 4.33Å; I1053-L1129 HydrophobicContact CG2-CD2 3.79Å; I1053-L1129 HydrophobicContact CG2-CG 4.05Å; I1056-L1129 HydrophobicContact CG2-CD2 4.07Å; K1057-L1129 HydrophobicContact CG-CD2 4.32Å; F1110-L1129 HydrophobicContact CD2-CD1 3.63Å; F1110-L1129 HydrophobicContact CE2-CD1 4.05Å; L1125-L1129 HydrophobicContact CD2-CD1 4.23Å; L1125-L1129 WeakPolarHBondContact O-CB 3.31Å; L1125-L1129 PolarHBondContact O-N 3.17Å; L1129-I1144 HydrophobicContact CD2-CB 4.23Å; L1129-I1144 HydrophobicContact CD2-CG2 4.21Å; L1129-I1144 WeakPolarHBondContact O-CB 3.44Å; L1129-I1144 VanDerWaalsContact O-CG1 3.26Å; L1129-I1144 WeakPolarHBondContact O-CG1 3.27Å; L1129-I1144 PolarHBondContact O-N 2.98Å; L1129-I1145 HydrophobicContact CB-CD1 4.43Å; L1129-I1145 HydrophobicContact CB-CG1 4.35Å; L1129-I1145 HydrophobicContact CD1-CD1 3.82Å; L1129-I1145 HydrophobicContact CD1-CG1 3.81Å |
| 1130 | C | 76.4 | Confident | 64 | Low | 11 Ų | 11 | 66.8 Ų | 66.8 | 7% | 0.074 | 38% | 0.377 | C | S | . | . | B | Isolated β-bridge | trans | -116.5 | 90.2 | 172.3 | -50.5 | 0 | 0 | 0 | 0 | 107.6 | K1126 N1132 | K1126-C1130 CarbonylContact O-C 3.52Å; K1126-C1130 VanDerWaalsContact O-CA 3.29Å; K1126-C1130 WeakPolarHBondContact O-CA 3.46Å; K1126-C1130 VanDerWaalsContact O-CB 3.24Å; K1126-C1130 WeakPolarHBondContact O-CB 3.41Å; K1126-C1130 PolarHBondContact O-N 3.32Å; C1130-N1132 PolarHBondContact O-N 3.35Å |
| 1131 | C | 61.2 | Low | 63.2 | Low | 29 Ų | 29 | 64 Ų | 64 | 20% | 0.196 | 36% | 0.363 | C | S | . | . | trans | -75.9 | 119 | -178 | -69.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1132 | N | 51.7 | Low | 63 | Low | 96 Ų | 96 | 64.6 Ų | 64.6 | 51% | 0.513 | 37% | 0.37 | S | S | . | . | trans | -100.7 | 13.3 | 169.2 | -71.7 | 2.2 | 0 | 0 | 0 | 112.3 | C1130 T1134 F1183 | C1130-N1132 PolarHBondContact O-N 3.35Å; N1132-T1134 PolarHBondContact O-N 2.9Å; N1132-T1134 VanDerWaalsContact O-N 3.15Å; N1132-F1183 WeakPolarHBondContact ND2-CE1 3.21Å; N1132-F1183 WeakPolarHBondContact ND2-CZ 3.28Å; N1132-F1183 WeakPolarHBondContact OD1-CD2 3.4Å; N1132-F1183 WeakPolarHBondContact OD1-CE2 3.15Å; N1132-F1183 WeakPolarHBondContact OD1-CZ 3.43Å | ||
| 1133 | S | 45.7 | Very low | 63.4 | Low | 39 Ų | 39 | 64.6 Ų | 64.6 | 27% | 0.273 | 37% | 0.37 | S | S | . | . | trans | -75.3 | 111.9 | -165.6 | 55.5 | 0 | 0 | 0 | 0 | 112.3 | L1135 Y1138 | S1133-L1135 PolarHBondContact O-N 3.01Å; S1133-Y1138 PolarHBondContact OG-O 3.47Å | ||
| 1134 | T | 46 | Very low | 63.6 | Low | 138 Ų | 138 | 60.7 Ų | 60.7 | 85% | 0.847 | 35% | 0.346 | S | S | * | . | trans | -70.3 | -2.7 | 160.5 | 54.8 | 0 | 0 | 0 | 0 | 112.9 | N1132 G1136 | N1132-T1134 PolarHBondContact O-N 2.9Å; N1132-T1134 VanDerWaalsContact O-N 3.15Å; T1134-G1136 PolarHBondContact O-N 3.06Å | ||
| 1135 | L | 41.1 | Very low | 64.1 | Low | 147 Ų | 147 | 57.6 Ų | 57.6 | 77% | 0.77 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -87.3 | 78.4 | -176.1 | -76.6 | 158.3 | 0 | 0 | 0 | 111.1 | S1133 E1137 | S1133-L1135 PolarHBondContact O-N 3.01Å; L1135-E1137 VanDerWaalsContact C-N 3.28Å; L1135-E1137 PolarHBondContact O-N 3.42Å |
| 1136 | G | 41.1 | Very low | 64.4 | Low | 82 Ų | 82 | 57.6 Ų | 57.6 | 85% | 0.845 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57 | -33.3 | 141.4 | 0 | 0 | 0 | 0 | 0 | 122.9 | T1134 | T1134-G1136 PolarHBondContact O-N 3.06Š|
| 1137 | E | 46.4 | Very low | 64.7 | Low | 176 Ų | 176 | 55.1 Ų | 55.1 | 82% | 0.822 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.4 | -26.7 | -169.1 | -72 | -174 | 167 | 0 | 0 | 114.4 | L1135 | L1135-E1137 VanDerWaalsContact C-N 3.28Å; L1135-E1137 PolarHBondContact O-N 3.42Å |
| 1138 | Y | 41.7 | Very low | 65.1 | Low | 155 Ų | 155 | 51.1 Ų | 51.1 | 61% | 0.608 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -107.9 | 99.1 | 167.4 | -77.6 | -81.9 | 0 | 0 | 0 | 108.9 | S1133 | S1133-Y1138 PolarHBondContact OG-O 3.47Š|
| 1139 | V | 48.4 | Very low | 65.5 | Low | 72 Ų | 72 | 50.2 Ų | 50.2 | 44% | 0.436 | 29% | 0.289 | S | S | . | . | trans | -44.5 | 140.1 | 169.7 | -179.2 | 0 | 0 | 0 | 0 | 109.3 | S1141 | V1139-S1141 PolarHBondContact O-N 2.92Š| ||
| 1140 | N | 51.1 | Low | 65.8 | Low | 70 Ų | 70 | 50.2 Ų | 50.2 | 37% | 0.374 | 29% | 0.289 | S | S | . | . | trans | -48.8 | 68 | -179.2 | -73.1 | -6.4 | 0 | 0 | 0 | 114.1 | G1142 N1184 | N1140-G1142 PolarHBondContact O-N 3.35Å; N1140-N1184 PolarHBondContact ND2-OD1 3.14Å | ||
| 1141 | S | 57.9 | Low | 66.1 | Low | 13 Ų | 13 | 51 Ų | 51 | 9% | 0.091 | 29% | 0.29 | C | S | . | . | trans | -72.8 | 118.3 | 166.2 | 56.2 | 0 | 0 | 0 | 0 | 105.4 | Y1060 V1139 | Y1060-S1141 WeakPolarHBondContact OH-CB 3.11Å; V1139-S1141 PolarHBondContact O-N 2.92Å | ||
| 1142 | G | 72.7 | Confident | 67.4 | Low | 17 Ų | 17 | 49.7 Ų | 49.7 | 18% | 0.175 | 28% | 0.282 | C | S | . | . | trans | -61.8 | -152.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | N1140 I1144 N1181 | N1140-G1142 PolarHBondContact O-N 3.35Å; G1142-I1144 PolarHBondContact O-N 3.31Å; G1142-N1181 WeakPolarHBondContact CA-OD1 3.42Å | ||
| 1143 | N | 85 | Confident | 69.1 | Low | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | B | Isolated β-bridge | trans | -56.6 | 100 | 172.6 | -178.4 | 6.8 | 0 | 0 | 0 | 112.2 | I1145 H1146 L1147 Q1177 L1180 N1181 | N1143-I1145 PolarHBondContact O-N 3.39Å; N1143-I1145 WeakPolarHBondContact OD1-CB 3.32Å; N1143-I1145 PolarHBondContact OD1-N 3.31Å; N1143-H1146 HydrophobicContact CB-CB 4.18Å; N1143-H1146 WeakPolarHBondContact O-CB 3.01Å; N1143-H1146 PolarHBondContact O-N 2.9Å; N1143-H1146 VanDerWaalsContact O-N 3.13Å; N1143-L1147 WeakPolarHBondContact O-CG 3.45Å; N1143-L1147 PolarHBondContact O-N 3.42Å; N1143-Q1177 PolarHBondContact ND2-O 2.77Å; N1143-Q1177 PolarHBondContact ND2-OE1 3.28Å; N1143-L1180 HydrophobicContact CB-CB 4.02Å; N1143-N1181 VanDerWaalsContact CB-OD1 3.3Å; N1143-N1181 WeakPolarHBondContact CB-OD1 3.42Å; N1143-N1181 PolarHBondContact N-OD1 3.13Å |
| 1144 | I | 84.8 | Confident | 70.8 | Confident | 5 Ų | 5 | 43.8 Ų | 43.8 | 3% | 0.026 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.8 | -31 | -176.5 | -61.8 | 176.4 | 0 | 0 | 0 | 111.1 | I1056 K1057 Y1060 L1129 G1142 L1147 A1148 | I1056-I1144 HydrophobicContact CG2-CG2 3.96Å; K1057-I1144 HydrophobicContact CG-CD1 4.11Å; K1057-I1144 HydrophobicContact CG-CG2 4.49Å; Y1060-I1144 HydrophobicContact CD1-CG2 4.15Å; Y1060-I1144 HydrophobicContact CG-CG2 3.93Å; L1129-I1144 HydrophobicContact CD2-CB 4.23Å; L1129-I1144 HydrophobicContact CD2-CG2 4.21Å; L1129-I1144 WeakPolarHBondContact O-CB 3.44Å; L1129-I1144 VanDerWaalsContact O-CG1 3.26Å; L1129-I1144 WeakPolarHBondContact O-CG1 3.27Å; L1129-I1144 PolarHBondContact O-N 2.98Å; G1142-I1144 PolarHBondContact O-N 3.31Å; I1144-L1147 PolarHBondContact O-N 3.08Å; I1144-A1148 VanDerWaalsContact O-CB 3.3Å; I1144-A1148 WeakPolarHBondContact O-CB 3.32Å; I1144-A1148 PolarHBondContact O-N 2.95Å |
| 1145 | I | 88.8 | Confident | 72.7 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.4 | -47.1 | 178.4 | -64.1 | 166.6 | 0 | 0 | 0 | 110.3 | L1107 F1110 L1114 L1129 N1143 L1147 A1148 A1149 V1171 | L1107-I1145 HydrophobicContact CD2-CB 4.38Å; L1107-I1145 HydrophobicContact CD2-CG2 3.87Å; F1110-I1145 HydrophobicContact CB-CD1 3.92Å; L1114-I1145 HydrophobicContact CD1-CD1 3.28Å; L1114-I1145 HydrophobicContact CG-CD1 4.28Å; L1129-I1145 HydrophobicContact CB-CD1 4.43Å; L1129-I1145 HydrophobicContact CB-CG1 4.35Å; L1129-I1145 HydrophobicContact CD1-CD1 3.82Å; L1129-I1145 HydrophobicContact CD1-CG1 3.81Å; N1143-I1145 PolarHBondContact O-N 3.39Å; N1143-I1145 WeakPolarHBondContact OD1-CB 3.32Å; N1143-I1145 PolarHBondContact OD1-N 3.31Å; I1145-L1147 VanDerWaalsContact C-N 3.31Å; I1145-L1147 PolarHBondContact O-N 2.87Å; I1145-A1148 PolarHBondContact O-N 2.99Å; I1145-A1149 VanDerWaalsContact O-CB 3.32Å; I1145-A1149 WeakPolarHBondContact O-CB 3.3Å; I1145-A1149 PolarHBondContact O-N 3.26Å; I1145-V1171 HydrophobicContact CG2-CG1 3.86Å |
| 1146 | H | 88.8 | Confident | 74.9 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.9 | -42.2 | 176.1 | 177.5 | 76.6 | 0 | 0 | 0 | 111.2 | N1143 A1149 L1150 V1171 I1172 Y1320 | N1143-H1146 HydrophobicContact CB-CB 4.18Å; N1143-H1146 WeakPolarHBondContact O-CB 3.01Å; N1143-H1146 PolarHBondContact O-N 2.9Å; N1143-H1146 VanDerWaalsContact O-N 3.13Å; H1146-A1149 WeakPolarHBondContact O-CB 3.01Å; H1146-A1149 PolarHBondContact O-N 2.75Å; H1146-L1150 WeakPolarHBondContact O-CG 3.29Å; H1146-L1150 PolarHBondContact O-N 2.94Å; H1146-V1171 PolarHBondContact ND1-O 3.46Å; H1146-I1172 PolarHBondContact CE1-O 2.78Å; H1146-I1172 PolarHBondContact ND1-O 3.44Å; H1146-Y1320 AromaticContact NE2-CE1 3.62Å; H1146-Y1320 AromaticContact NE2-CZ 3.87Å; H1146-Y1320 PolarHBondContact NE2-OH 3.38Å; H1146-Y1320 VanDerWaalsContact NE2-OH 3.16Å |
| 1147 | L | 85.9 | Confident | 77 | Confident | 4 Ų | 4 | 27.8 Ų | 27.8 | 2% | 0.021 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -69.2 | -39.5 | -179.9 | -57.4 | -178.4 | 0 | 0 | 0 | 112.9 | Y1060 N1143 I1144 I1145 L1150 R1151 I1324 F1336 | Y1060-L1147 HydrophobicContact CD2-CB 3.63Å; Y1060-L1147 HydrophobicContact CD2-CD1 3.88Å; Y1060-L1147 HydrophobicContact CD2-CG 4.4Å; Y1060-L1147 HydrophobicContact CE2-CB 4.03Å; Y1060-L1147 HydrophobicContact CE2-CD1 3.41Å; Y1060-L1147 VanDerWaalsContact CE2-CD1 3.41Å; Y1060-L1147 HydrophobicContact CE2-CG 4.34Å; N1143-L1147 WeakPolarHBondContact O-CG 3.45Å; N1143-L1147 PolarHBondContact O-N 3.42Å; I1144-L1147 PolarHBondContact O-N 3.08Å; I1145-L1147 VanDerWaalsContact C-N 3.31Å; I1145-L1147 PolarHBondContact O-N 2.87Å; L1147-L1150 HydrophobicContact CD2-CD1 4.31Å; L1147-R1151 WeakPolarHBondContact O-CG 3.12Å; L1147-R1151 PolarHBondContact O-N 2.9Å; L1147-I1324 HydrophobicContact CD2-CD1 4.1Å; L1147-I1324 HydrophobicContact CD2-CG2 3.37Å; L1147-F1336 HydrophobicContact CB-CE1 4.34Å; L1147-F1336 HydrophobicContact CB-CZ 4.48Å; L1147-F1336 HydrophobicContact CD2-CE1 4.21Å; L1147-F1336 HydrophobicContact CD2-CZ 3.95Å |
| 1148 | A | 87.7 | Confident | 78.5 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.9 | -38.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | I1056 V1059 L1107 I1144 I1145 R1151 I1152 | I1056-A1148 HydrophobicContact CG2-CB 3.94Å; V1059-A1148 HydrophobicContact CG1-CB 4.3Å; L1107-A1148 HydrophobicContact CD1-CB 4.36Å; L1107-A1148 HydrophobicContact CD2-CB 3.94Å; I1144-A1148 VanDerWaalsContact O-CB 3.3Å; I1144-A1148 WeakPolarHBondContact O-CB 3.32Å; I1144-A1148 PolarHBondContact O-N 2.95Å; I1145-A1148 PolarHBondContact O-N 2.99Å; A1148-R1151 PolarHBondContact O-N 3.08Å; A1148-I1152 PolarHBondContact O-N 3Å |
| 1149 | A | 91.3 | Very high | 80 | Confident | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.7 | -43.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1107 I1145 H1146 R1151 I1152 L1153 L1167 V1171 I1172 | L1107-A1149 HydrophobicContact CD1-CB 4.29Å; I1145-A1149 VanDerWaalsContact O-CB 3.32Å; I1145-A1149 WeakPolarHBondContact O-CB 3.3Å; I1145-A1149 PolarHBondContact O-N 3.26Å; H1146-A1149 WeakPolarHBondContact O-CB 3.01Å; H1146-A1149 PolarHBondContact O-N 2.75Å; A1149-R1151 PolarHBondContact O-N 2.86Å; A1149-I1152 PolarHBondContact O-N 3.18Å; A1149-L1153 WeakPolarHBondContact O-CB 3.48Å; A1149-L1153 PolarHBondContact O-N 2.93Å; A1149-L1153 VanDerWaalsContact O-N 3.16Å; A1149-L1167 HydrophobicContact CB-CD1 3.73Å; A1149-L1167 HydrophobicContact CB-CG 4.28Å; A1149-V1171 HydrophobicContact CB-CB 4.24Å; A1149-V1171 HydrophobicContact CB-CG1 3.59Å; A1149-I1172 HydrophobicContact CB-CD1 4.48Å; A1149-I1172 HydrophobicContact CB-CG1 3.91Å |
| 1150 | L | 87.9 | Confident | 81.8 | Confident | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -58.7 | -35.5 | 174.7 | -71.6 | 169.4 | 0 | 0 | 0 | 112.4 | H1146 L1147 I1172 W1279 W1317 L1321 F1338 | H1146-L1150 WeakPolarHBondContact O-CG 3.29Å; H1146-L1150 PolarHBondContact O-N 2.94Å; L1147-L1150 HydrophobicContact CD2-CD1 4.31Å; L1150-I1172 HydrophobicContact CD2-CG2 3.78Å; L1150-W1279 HydrophobicContact CD2-CH2 3.66Å; L1150-W1279 HydrophobicContact CD2-CZ2 3.87Å; L1150-W1317 HydrophobicContact CD2-CZ2 4.07Å; L1150-L1321 HydrophobicContact CD1-CD2 3.61Å; L1150-L1321 HydrophobicContact CD2-CD2 3.97Å; L1150-L1321 HydrophobicContact CG-CD2 4.44Å; L1150-F1338 HydrophobicContact CB-CE1 4.42Å; L1150-F1338 HydrophobicContact CB-CZ 4.15Å |
| 1151 | R | 82.4 | Confident | 83.4 | Confident | 27 Ų | 27 | 13.7 Ų | 13.7 | 10% | 0.102 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -78.8 | -39.1 | 179.9 | -71.4 | -176.9 | 179.2 | -156.1 | 4 | 113.6 | V1059 Y1060 L1147 A1148 A1149 L1153 P1154 Y1155 F1336 F1338 | V1059-R1151 WeakPolarHBondContact O-CD 3.41Å; V1059-R1151 PolarHBondContact O-NH1 3.2Å; Y1060-R1151 VanDerWaalsContact C-NH1 3.27Å; Y1060-R1151 PolarHBondContact O-NH1 3.14Å; Y1060-R1151 PolarHBondContact O-NH2 2.6Å; L1147-R1151 WeakPolarHBondContact O-CG 3.12Å; L1147-R1151 PolarHBondContact O-N 2.9Å; A1148-R1151 PolarHBondContact O-N 3.08Å; A1149-R1151 PolarHBondContact O-N 2.86Å; R1151-L1153 VanDerWaalsContact C-N 3.34Å; R1151-P1154 WeakPolarHBondContact O-CD 3.42Å; R1151-Y1155 WeakPolarHBondContact O-CD2 3.48Å; R1151-Y1155 WeakPolarHBondContact O-CE2 3.43Å; R1151-F1336 HydrophobicContact CG-CD1 4Å; R1151-F1336 HydrophobicContact CG-CE1 4.35Å; R1151-F1338 HydrophobicContact CG-CE1 4.41Å |
| 1152 | I | 88.3 | Confident | 84.6 | Confident | 3 Ų | 3 | 18.2 Ų | 18.2 | 2% | 0.015 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -75.2 | -26.7 | -177.7 | -157.8 | 64.1 | 0 | 0 | 0 | 112.2 | L897 I1103 L1107 A1148 A1149 Y1155 L1156 L1167 | L897-I1152 HydrophobicContact CD1-CD1 3.79Å; I1103-I1152 HydrophobicContact CD1-CD1 4.24Å; I1103-I1152 HydrophobicContact CG2-CD1 4.34Å; I1103-I1152 HydrophobicContact CG2-CG1 4.17Å; L1107-I1152 HydrophobicContact CD1-CG2 3.95Å; A1148-I1152 PolarHBondContact O-N 3Å; A1149-I1152 PolarHBondContact O-N 3.18Å; I1152-Y1155 WeakPolarHBondContact O-CB 3.43Å; I1152-Y1155 PolarHBondContact O-N 3.28Å; I1152-L1156 PolarHBondContact O-N 3.23Å; I1152-L1167 HydrophobicContact CG2-CD2 3.64Å |
| 1153 | L | 88.1 | Confident | 85.4 | Confident | 1 Ų | 1 | 18.2 Ų | 18.2 | 1% | 0.005 | 9% | 0.093 | C | C | . | . | G | 310 helix | trans | -47.4 | -51.1 | -176.3 | -173.4 | 71.8 | 0 | 0 | 0 | 114.7 | A1149 R1151 Y1155 L1156 L1167 I1168 I1172 L1207 I1275 W1279 | A1149-L1153 WeakPolarHBondContact O-CB 3.48Å; A1149-L1153 PolarHBondContact O-N 2.93Å; A1149-L1153 VanDerWaalsContact O-N 3.16Å; R1151-L1153 VanDerWaalsContact C-N 3.34Å; L1153-Y1155 PolarHBondContact O-N 2.99Å; L1153-L1156 HydrophobicContact CD1-CD1 4.23Å; L1153-L1156 PolarHBondContact O-N 3.46Å; L1153-L1167 HydrophobicContact CD1-CD2 4.08Å; L1153-I1168 HydrophobicContact CD1-CD1 4.2Å; L1153-I1168 HydrophobicContact CD1-CG1 3.82Å; L1153-I1172 HydrophobicContact CB-CD1 4.16Å; L1153-I1172 HydrophobicContact CD1-CD1 3.91Å; L1153-I1172 HydrophobicContact CD2-CD1 3.74Å; L1153-I1172 HydrophobicContact CG-CD1 4.15Å; L1153-L1207 HydrophobicContact CD2-CD1 4.46Å; L1153-I1275 HydrophobicContact CD1-CD1 3.34Å; L1153-I1275 HydrophobicContact CD2-CD1 3.99Å; L1153-I1275 HydrophobicContact CG-CD1 3.44Å; L1153-I1275 VanDerWaalsContact CG-CD1 3.44Å; L1153-I1275 HydrophobicContact CG-CG2 4.5Å; L1153-W1279 HydrophobicContact CD2-CD2 3.85Å; L1153-W1279 HydrophobicContact CD2-CE3 4.1Å; L1153-W1279 HydrophobicContact CD2-CG 4.39Å; L1153-W1279 HydrophobicContact CD2-CH2 4.17Å; L1153-W1279 HydrophobicContact CD2-CZ2 3.95Å; L1153-W1279 HydrophobicContact CD2-CZ3 4.25Å |
| 1154 | P | 82.7 | Confident | 85.7 | Confident | 9 Ų | 9 | 18.7 Ų | 18.7 | 6% | 0.058 | 10% | 0.095 | C | C | . | . | G | 310 helix | trans | -71 | -12.2 | 178.1 | 27.3 | -36.4 | 0 | 0 | 0 | 114.7 | R1151 R1273 | R1151-P1154 WeakPolarHBondContact O-CD 3.42Å; P1154-R1273 WeakPolarHBondContact O-CD 3.29Å |
| 1155 | Y | 84.5 | Confident | 85.9 | Confident | 30 Ų | 30 | 20 Ų | 20 | 12% | 0.118 | 10% | 0.103 | C | C | . | . | G | 310 helix | trans | -87.8 | -11.9 | 177.4 | -66.4 | -77.1 | 0 | 0 | 0 | 113.3 | F1065 I1096 R1151 I1152 L1153 R1157 | F1065-Y1155 HydrophobicContact CB-CE1 4.03Å; F1065-Y1155 WeakPolarHBondContact CB-OH 3.5Å; F1065-Y1155 AromaticContact CD1-CE1 3.66Å; F1065-Y1155 HydrophobicContact CD1-CE1 3.66Å; F1065-Y1155 HydrophobicContact CD2-CE1 4.22Å; F1065-Y1155 HydrophobicContact CE1-CE1 4.33Å; F1065-Y1155 AromaticContact CG-CE1 3.62Å; F1065-Y1155 HydrophobicContact CG-CE1 3.62Å; I1096-Y1155 HydrophobicContact CG2-CD1 4.22Å; R1151-Y1155 WeakPolarHBondContact O-CD2 3.48Å; R1151-Y1155 WeakPolarHBondContact O-CE2 3.43Å; I1152-Y1155 WeakPolarHBondContact O-CB 3.43Å; I1152-Y1155 PolarHBondContact O-N 3.28Å; L1153-Y1155 PolarHBondContact O-N 2.99Å; Y1155-R1157 WeakPolarHBondContact O-CG 3.46Å; Y1155-R1157 PolarHBondContact O-N 3.14Å; Y1155-R1157 PolarHBondContact O-NE 2.71Å |
| 1156 | L | 87.3 | Confident | 86.1 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.116 | C | C | . | . | P | Polyproline II helix | trans | -59.4 | 126.7 | 176.3 | -66 | 178.8 | 0 | 0 | 0 | 110.5 | T1104 I1152 L1153 Q1160 R1164 L1167 L1274 | T1104-L1156 WeakPolarHBondContact OG1-CD2 3.23Å; I1152-L1156 PolarHBondContact O-N 3.23Å; L1153-L1156 HydrophobicContact CD1-CD1 4.23Å; L1153-L1156 PolarHBondContact O-N 3.46Å; L1156-Q1160 HydrophobicContact CD2-CB 4.46Å; L1156-R1164 HydrophobicContact CD1-CB 3.75Å; L1156-R1164 HydrophobicContact CD1-CG 4.2Å; L1156-L1167 HydrophobicContact CD1-CD2 4.19Å; L1156-L1274 HydrophobicContact CB-CD1 4.28Å; L1156-L1274 PolarHBondContact O-N 2.98Å |
| 1157 | R | 85.2 | Confident | 86.4 | Confident | 2 Ų | 2 | 23.5 Ų | 23.5 | 1% | 0.008 | 12% | 0.116 | C | C | . | . | B | Isolated β-bridge | trans | -101.5 | 165.5 | -178.3 | -58.2 | -54.3 | -177.2 | 154.5 | -3.6 | 110.6 | E1091 H1093 Y1155 G1159 Q1160 V1270 C1271 L1274 | E1091-R1157 IonicContact OE2-CZ 3.21Å; E1091-R1157 IonicContact OE2-NH1 3.92Å; E1091-R1157 IonicContact OE2-NH2 2.72Å; E1091-R1157 PolarHBondContact OE2-NH2 3.42Å; H1093-R1157 PolarHBondContact ND1-NH1 2.63Å; Y1155-R1157 WeakPolarHBondContact O-CG 3.46Å; Y1155-R1157 PolarHBondContact O-N 3.14Å; Y1155-R1157 PolarHBondContact O-NE 2.71Å; R1157-G1159 PolarHBondContact O-N 3.5Å; R1157-Q1160 WeakPolarHBondContact O-CB 3.21Å; R1157-Q1160 PolarHBondContact O-N 3.34Å; R1157-Q1160 PolarHBondContact O-OE1 2.98Å; R1157-V1270 HydrophobicContact CB-CG1 4.34Å; R1157-V1270 VanDerWaalsContact CD-O 3.3Å; R1157-V1270 WeakPolarHBondContact CD-O 3.12Å; R1157-V1270 HydrophobicContact CG-CG1 4.38Å; R1157-V1270 WeakPolarHBondContact CG-O 3.45Å; R1157-C1271 PolarHBondContact NH1-O 3.41Å; R1157-L1274 WeakPolarHBondContact O-CD1 3.24Å; R1157-L1274 WeakPolarHBondContact O-CG 3.17Å |
| 1158 | K | 77.8 | Confident | 86.6 | Confident | 69 Ų | 69 | 23.3 Ų | 23.3 | 30% | 0.3 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | 139.9 | 176.9 | -166.6 | 179.9 | 175.3 | -146.8 | 0 | 111.9 | E1161 R1268 D1272 L1274 | K1158-E1161 WeakPolarHBondContact CG-OE1 3.29Å; K1158-R1268 HydrophobicContact CD-CB 3.34Å; K1158-R1268 HydrophobicContact CD-CG 4.4Å; K1158-D1272 PolarHBondContact N-O 3.23Å; K1158-D1272 VanDerWaalsContact N-O 3.15Å; K1158-L1274 HydrophobicContact CB-CD2 4.46Å |
| 1159 | G | 74.2 | Confident | 86.8 | Confident | 36 Ų | 36 | 25 Ų | 25 | 37% | 0.371 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 102.3 | -11.4 | -171 | 0 | 0 | 0 | 0 | 0 | 113.4 | R1157 E1161 | R1157-G1159 PolarHBondContact O-N 3.5Å; G1159-E1161 WeakPolarHBondContact CA-OE2 3.4Å; G1159-E1161 PolarHBondContact N-OE1 2.82Å; G1159-E1161 PolarHBondContact N-OE2 3.28Å; G1159-E1161 VanDerWaalsContact N-OE2 3.13Å |
| 1160 | Q | 85.1 | Confident | 86.8 | Confident | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | trans | -109.4 | 25.8 | -177.5 | -56.6 | 175.9 | -38.2 | 0 | 0 | 112.2 | S1097 S1100 E1101 L1156 R1157 E1162 L1163 R1164 L1274 | S1097-Q1160 PolarHBondContact O-NE2 2.94Å; S1100-Q1160 PolarHBondContact OG-OE1 3.13Å; E1101-Q1160 PolarHBondContact OE2-NE2 2.91Å; L1156-Q1160 HydrophobicContact CD2-CB 4.46Å; R1157-Q1160 WeakPolarHBondContact O-CB 3.21Å; R1157-Q1160 PolarHBondContact O-N 3.34Å; R1157-Q1160 PolarHBondContact O-OE1 2.98Å; Q1160-E1162 VanDerWaalsContact C-N 3.3Å; Q1160-E1162 PolarHBondContact O-N 3.3Å; Q1160-L1163 HydrophobicContact CB-CB 4.35Å; Q1160-L1163 HydrophobicContact CB-CD1 4.37Å; Q1160-L1163 HydrophobicContact CG-CD1 4.43Å; Q1160-L1163 PolarHBondContact O-N 2.99Å; Q1160-R1164 WeakPolarHBondContact O-CB 3.2Å; Q1160-R1164 PolarHBondContact O-N 3.46Å; Q1160-L1274 HydrophobicContact CB-CD1 4.05Å | ||
| 1161 | E | 84.4 | Confident | 87 | Confident | 70 Ų | 70 | 27.5 Ų | 27.5 | 33% | 0.327 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -62.6 | -37.2 | -175.8 | -65.6 | 82.1 | 176.9 | 0 | 0 | 112.3 | K1158 G1159 T1165 L1274 | K1158-E1161 WeakPolarHBondContact CG-OE1 3.29Å; G1159-E1161 WeakPolarHBondContact CA-OE2 3.4Å; G1159-E1161 PolarHBondContact N-OE1 2.82Å; G1159-E1161 PolarHBondContact N-OE2 3.28Å; G1159-E1161 VanDerWaalsContact N-OE2 3.13Å; E1161-T1165 WeakPolarHBondContact O-CB 3.46Å; E1161-T1165 PolarHBondContact O-N 3.37Å; E1161-T1165 PolarHBondContact O-OG1 3.29Å; E1161-L1274 HydrophobicContact CG-CD1 4.28Å; E1161-L1274 HydrophobicContact CG-CD2 3.82Å |
| 1162 | E | 84.9 | Confident | 87.4 | Confident | 108 Ų | 108 | 26.2 Ų | 26.2 | 51% | 0.505 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -64 | -48.7 | 174.2 | -173.2 | -179.2 | 165.2 | 0 | 0 | 110.5 | K490 Q1160 R1164 T1165 R1166 | K490-E1162 IonicContact NZ-OE1 3.73Å; K490-E1162 IonicContact NZ-OE2 3.07Å; K490-E1162 PolarHBondContact NZ-OE2 2.93Å; Q1160-E1162 VanDerWaalsContact C-N 3.3Å; Q1160-E1162 PolarHBondContact O-N 3.3Å; E1162-R1164 PolarHBondContact O-N 3.35Å; E1162-T1165 WeakPolarHBondContact O-CB 2.91Å; E1162-T1165 PolarHBondContact O-N 3.33Å; E1162-R1166 WeakPolarHBondContact O-CG 3.09Å; E1162-R1166 PolarHBondContact O-N 3.04Å |
| 1163 | L | 88.3 | Confident | 87.6 | Confident | 18 Ų | 18 | 26.1 Ų | 26.1 | 9% | 0.094 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.8 | -42.1 | 179.1 | -67.2 | 177 | 0 | 0 | 0 | 112.2 | E1101 T1104 R1105 L1108 Q1160 T1165 R1166 L1167 | E1101-L1163 HydrophobicContact CG-CD1 3.54Å; T1104-L1163 HydrophobicContact CG2-CB 3.96Å; R1105-L1163 HydrophobicContact CG-CD1 4.42Å; R1105-L1163 HydrophobicContact CG-CD2 3.97Å; L1108-L1163 HydrophobicContact CD1-CD2 3.96Å; Q1160-L1163 HydrophobicContact CB-CB 4.35Å; Q1160-L1163 HydrophobicContact CB-CD1 4.37Å; Q1160-L1163 HydrophobicContact CG-CD1 4.43Å; Q1160-L1163 PolarHBondContact O-N 2.99Å; L1163-T1165 VanDerWaalsContact C-N 3.31Å; L1163-T1165 PolarHBondContact O-N 3.25Å; L1163-R1166 PolarHBondContact O-N 3.26Å; L1163-L1167 WeakPolarHBondContact O-CB 3.15Å; L1163-L1167 PolarHBondContact O-N 3.41Å |
| 1164 | R | 90.6 | Very high | 87.7 | Confident | 10 Ų | 10 | 26.9 Ų | 26.9 | 4% | 0.038 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -54 | -50.4 | 171.7 | 178.4 | -167 | 66.4 | 177.5 | -0.1 | 110.8 | L1156 Q1160 E1162 L1167 I1168 L1207 T1211 L1274 I1275 | L1156-R1164 HydrophobicContact CD1-CB 3.75Å; L1156-R1164 HydrophobicContact CD1-CG 4.2Å; Q1160-R1164 WeakPolarHBondContact O-CB 3.2Å; Q1160-R1164 PolarHBondContact O-N 3.46Å; E1162-R1164 PolarHBondContact O-N 3.35Å; R1164-L1167 PolarHBondContact O-N 3.36Å; R1164-I1168 HydrophobicContact CG-CD1 3.92Å; R1164-I1168 WeakPolarHBondContact O-CB 3.45Å; R1164-I1168 VanDerWaalsContact O-CG1 3.23Å; R1164-I1168 WeakPolarHBondContact O-CG1 3.36Å; R1164-I1168 PolarHBondContact O-N 3.21Å; R1164-L1207 PolarHBondContact NH1-O 3.19Å; R1164-T1211 PolarHBondContact NH1-OG1 3.3Å; R1164-L1274 HydrophobicContact CB-CD1 4.16Å; R1164-I1275 HydrophobicContact CG-CD1 3.56Å; R1164-I1275 HydrophobicContact CG-CG1 4.28Å |
| 1165 | T | 89.8 | Confident | 88 | Confident | 31 Ų | 31 | 30.3 Ų | 30.3 | 19% | 0.19 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.7 | -47.2 | -177.6 | -57.3 | 0 | 0 | 0 | 0 | 110.7 | E1161 E1162 L1163 I1168 L1169 Y1204 | E1161-T1165 WeakPolarHBondContact O-CB 3.46Å; E1161-T1165 PolarHBondContact O-N 3.37Å; E1161-T1165 PolarHBondContact O-OG1 3.29Å; E1162-T1165 WeakPolarHBondContact O-CB 2.91Å; E1162-T1165 PolarHBondContact O-N 3.33Å; L1163-T1165 VanDerWaalsContact C-N 3.31Å; L1163-T1165 PolarHBondContact O-N 3.25Å; T1165-I1168 PolarHBondContact O-N 3.18Å; T1165-L1169 HydrophobicContact CG2-CD1 3.77Å; T1165-L1169 HydrophobicContact CG2-CG 4.5Å; T1165-L1169 WeakPolarHBondContact O-CB 3.36Å; T1165-L1169 VanDerWaalsContact O-CG 3.23Å; T1165-L1169 WeakPolarHBondContact O-CG 3.46Å; T1165-L1169 PolarHBondContact O-N 3.01Å; T1165-Y1204 HydrophobicContact CG2-CE2 4.04Å |
| 1166 | R | 92.8 | Very high | 88.1 | Confident | 75 Ų | 75 | 34.3 Ų | 34.3 | 28% | 0.283 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -63.7 | -43.7 | 176.8 | -68.1 | -176.1 | 65.4 | -156.7 | -11.7 | 112.2 | L1108 E1162 L1163 I1168 L1169 E1170 | L1108-R1166 HydrophobicContact CD1-CB 3.94Å; L1108-R1166 HydrophobicContact CD2-CB 3.89Å; E1162-R1166 WeakPolarHBondContact O-CG 3.09Å; E1162-R1166 PolarHBondContact O-N 3.04Å; L1163-R1166 PolarHBondContact O-N 3.26Å; R1166-I1168 VanDerWaalsContact C-N 3.33Å; R1166-I1168 PolarHBondContact O-N 2.93Å; R1166-L1169 PolarHBondContact O-N 2.98Å; R1166-E1170 WeakPolarHBondContact CG-OE1 3.27Å; R1166-E1170 IonicContact CZ-OE1 3.67Å; R1166-E1170 IonicContact CZ-OE2 3.27Å; R1166-E1170 IonicContact NE-OE1 3.61Å; R1166-E1170 PolarHBondContact NE-OE1 3.5Å; R1166-E1170 IonicContact NE-OE2 3.18Å; R1166-E1170 IonicContact NH2-OE1 2.8Å; R1166-E1170 PolarHBondContact NH2-OE1 2.98Å; R1166-E1170 IonicContact NH2-OE2 2.83Å; R1166-E1170 PolarHBondContact NH2-OE2 3.46Å; R1166-E1170 VanDerWaalsContact NH2-OE2 3.16Å; R1166-E1170 WeakPolarHBondContact O-CA 3.28Å; R1166-E1170 WeakPolarHBondContact O-CB 3.29Å; R1166-E1170 PolarHBondContact O-N 3Å |
| 1167 | L | 94.4 | Very high | 88 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.7 | -43.2 | 178.5 | -173.5 | 68.3 | 0 | 0 | 0 | 111.6 | T1104 L1107 A1149 I1152 L1153 L1156 L1163 R1164 V1171 I1172 | T1104-L1167 HydrophobicContact CG2-CB 4.1Å; T1104-L1167 HydrophobicContact CG2-CD1 4.18Å; T1104-L1167 HydrophobicContact CG2-CD2 4.12Å; T1104-L1167 HydrophobicContact CG2-CG 4.36Å; L1107-L1167 HydrophobicContact CB-CD1 4.4Å; L1107-L1167 HydrophobicContact CD1-CD1 4.39Å; A1149-L1167 HydrophobicContact CB-CD1 3.73Å; A1149-L1167 HydrophobicContact CB-CG 4.28Å; I1152-L1167 HydrophobicContact CG2-CD2 3.64Å; L1153-L1167 HydrophobicContact CD1-CD2 4.08Å; L1156-L1167 HydrophobicContact CD1-CD2 4.19Å; L1163-L1167 WeakPolarHBondContact O-CB 3.15Å; L1163-L1167 PolarHBondContact O-N 3.41Å; R1164-L1167 PolarHBondContact O-N 3.36Å; L1167-V1171 HydrophobicContact CD1-CB 4.04Å; L1167-V1171 HydrophobicContact CD1-CG2 3.95Å; L1167-V1171 WeakPolarHBondContact O-CB 3.22Å; L1167-V1171 PolarHBondContact O-N 3.01Å; L1167-V1171 VanDerWaalsContact O-N 3.14Å; L1167-I1172 HydrophobicContact CG-CD1 4.31Å; L1167-I1172 PolarHBondContact O-N 3.26Å |
| 1168 | I | 91.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | I | π-helix | trans | -61.6 | -47.4 | 176.4 | -72.6 | 173.3 | 0 | 0 | 0 | 110.8 | L1153 R1164 T1165 R1166 F1173 L1207 V1208 I1275 | L1153-I1168 HydrophobicContact CD1-CD1 4.2Å; L1153-I1168 HydrophobicContact CD1-CG1 3.82Å; R1164-I1168 HydrophobicContact CG-CD1 3.92Å; R1164-I1168 WeakPolarHBondContact O-CB 3.45Å; R1164-I1168 VanDerWaalsContact O-CG1 3.23Å; R1164-I1168 WeakPolarHBondContact O-CG1 3.36Å; R1164-I1168 PolarHBondContact O-N 3.21Å; T1165-I1168 PolarHBondContact O-N 3.18Å; R1166-I1168 VanDerWaalsContact C-N 3.33Å; R1166-I1168 PolarHBondContact O-N 2.93Å; I1168-F1173 HydrophobicContact CG2-CD2 3.65Å; I1168-F1173 HydrophobicContact CG2-CE2 3.98Å; I1168-F1173 PolarHBondContact O-N 3.48Å; I1168-L1207 HydrophobicContact CD1-CB 4.04Å; I1168-L1207 HydrophobicContact CD1-CD1 4.09Å; I1168-V1208 HydrophobicContact CD1-CG2 3.94Å; I1168-I1275 HydrophobicContact CD1-CD1 4.25Å |
| 1169 | L | 91.3 | Very high | 88.4 | Confident | 36 Ų | 36 | 35.3 Ų | 35.3 | 19% | 0.188 | 17% | 0.173 | C | C | . | . | I | π-helix | trans | -84.7 | -38.3 | -171.6 | -60.8 | 174.8 | 0 | 0 | 0 | 114 | T1165 R1166 R1200 Y1204 | T1165-L1169 HydrophobicContact CG2-CD1 3.77Å; T1165-L1169 HydrophobicContact CG2-CG 4.5Å; T1165-L1169 WeakPolarHBondContact O-CB 3.36Å; T1165-L1169 VanDerWaalsContact O-CG 3.23Å; T1165-L1169 WeakPolarHBondContact O-CG 3.46Å; T1165-L1169 PolarHBondContact O-N 3.01Å; R1166-L1169 PolarHBondContact O-N 2.98Å; L1169-R1200 HydrophobicContact CD2-CG 4.26Å; L1169-R1200 VanDerWaalsContact CD2-NE 3.3Å; L1169-R1200 PolarHBondContact O-NH1 2.82Å; L1169-Y1204 HydrophobicContact CD1-CD2 4.48Å; L1169-Y1204 HydrophobicContact CD1-CE2 4.11Å; L1169-Y1204 HydrophobicContact CD2-CD2 3.78Å; L1169-Y1204 HydrophobicContact CD2-CE2 4.22Å; L1169-Y1204 HydrophobicContact CD2-CG 4.45Å; L1169-Y1204 HydrophobicContact CG-CD2 4.39Å; L1169-Y1204 HydrophobicContact CG-CE2 4.49Å |
| 1170 | E | 91 | Very high | 88.6 | Confident | 52 Ų | 52 | 35.2 Ų | 35.2 | 24% | 0.243 | 16% | 0.164 | C | C | . | . | I | π-helix | trans | -92.9 | -19.4 | -174.1 | -62.1 | 176.4 | -142.7 | 0 | 0 | 112.7 | L1108 S1111 Q1112 R1166 N1174 | L1108-E1170 HydrophobicContact CD2-CB 4.02Å; S1111-E1170 PolarHBondContact OG-O 3.35Å; S1111-E1170 VanDerWaalsContact OG-O 3.04Å; Q1112-E1170 PolarHBondContact NE2-OE2 2.76Å; R1166-E1170 WeakPolarHBondContact CG-OE1 3.27Å; R1166-E1170 IonicContact CZ-OE1 3.67Å; R1166-E1170 IonicContact CZ-OE2 3.27Å; R1166-E1170 IonicContact NE-OE1 3.61Å; R1166-E1170 PolarHBondContact NE-OE1 3.5Å; R1166-E1170 IonicContact NE-OE2 3.18Å; R1166-E1170 IonicContact NH2-OE1 2.8Å; R1166-E1170 PolarHBondContact NH2-OE1 2.98Å; R1166-E1170 IonicContact NH2-OE2 2.83Å; R1166-E1170 PolarHBondContact NH2-OE2 3.46Å; R1166-E1170 VanDerWaalsContact NH2-OE2 3.16Å; R1166-E1170 WeakPolarHBondContact O-CA 3.28Å; R1166-E1170 WeakPolarHBondContact O-CB 3.29Å; R1166-E1170 PolarHBondContact O-N 3Å; E1170-N1174 WeakPolarHBondContact O-CB 3.24Å; E1170-N1174 PolarHBondContact O-ND2 2.72Å |
| 1171 | V | 92 | Very high | 88.3 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | I | π-helix | trans | -125.4 | -54.9 | -175.7 | -168.4 | 0 | 0 | 0 | 0 | 113.3 | L1108 I1145 H1146 A1149 L1167 Q1177 | L1108-V1171 HydrophobicContact CD2-CG2 3.93Å; I1145-V1171 HydrophobicContact CG2-CG1 3.86Å; H1146-V1171 PolarHBondContact ND1-O 3.46Å; A1149-V1171 HydrophobicContact CB-CB 4.24Å; A1149-V1171 HydrophobicContact CB-CG1 3.59Å; L1167-V1171 HydrophobicContact CD1-CB 4.04Å; L1167-V1171 HydrophobicContact CD1-CG2 3.95Å; L1167-V1171 WeakPolarHBondContact O-CB 3.22Å; L1167-V1171 PolarHBondContact O-N 3.01Å; L1167-V1171 VanDerWaalsContact O-N 3.14Å; V1171-Q1177 WeakPolarHBondContact O-CB 3.41Å |
| 1172 | I | 91.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.17 | C | C | . | . | I | π-helix | trans | -72.5 | -55.6 | -172.7 | -61.9 | 177.7 | 0 | 0 | 0 | 110.7 | H1146 A1149 L1150 L1153 L1167 N1174 W1317 | H1146-I1172 PolarHBondContact CE1-O 2.78Å; H1146-I1172 PolarHBondContact ND1-O 3.44Å; A1149-I1172 HydrophobicContact CB-CD1 4.48Å; A1149-I1172 HydrophobicContact CB-CG1 3.91Å; L1150-I1172 HydrophobicContact CD2-CG2 3.78Å; L1153-I1172 HydrophobicContact CB-CD1 4.16Å; L1153-I1172 HydrophobicContact CD1-CD1 3.91Å; L1153-I1172 HydrophobicContact CD2-CD1 3.74Å; L1153-I1172 HydrophobicContact CG-CD1 4.15Å; L1167-I1172 HydrophobicContact CG-CD1 4.31Å; L1167-I1172 PolarHBondContact O-N 3.26Å; I1172-N1174 PolarHBondContact O-N 2.9Å; I1172-W1317 HydrophobicContact CG2-CH2 4.33Å; I1172-W1317 HydrophobicContact CG2-CZ2 3.93Å |
| 1173 | F | 92.4 | Very high | 86.5 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | 45.6 | 179.3 | -58.7 | -70.1 | 0 | 0 | 0 | 111.9 | I1168 L1196 I1199 R1200 Y1203 W1317 | I1168-F1173 HydrophobicContact CG2-CD2 3.65Å; I1168-F1173 HydrophobicContact CG2-CE2 3.98Å; I1168-F1173 PolarHBondContact O-N 3.48Å; F1173-L1196 HydrophobicContact CD1-CD1 4.18Å; F1173-I1199 HydrophobicContact CD1-CG2 4.05Å; F1173-I1199 HydrophobicContact CE1-CG2 3.64Å; F1173-R1200 HydrophobicContact CB-CB 3.83Å; F1173-R1200 HydrophobicContact CB-CG 3.82Å; F1173-R1200 HydrophobicContact CG-CB 4.23Å; F1173-R1200 HydrophobicContact CG-CG 4.42Å; F1173-Y1203 HydrophobicContact CE1-CD2 4.1Å; F1173-Y1203 HydrophobicContact CE1-CG 4.45Å; F1173-Y1203 HydrophobicContact CE2-CG 4.15Å; F1173-Y1203 VanDerWaalsContact CZ-CB 3.49Å; F1173-Y1203 HydrophobicContact CZ-CD1 4.38Å; F1173-Y1203 AromaticContact CZ-CD2 3.67Å; F1173-Y1203 HydrophobicContact CZ-CD2 3.67Å; F1173-Y1203 AromaticContact CZ-CG 3.59Å; F1173-Y1203 HydrophobicContact CZ-CG 3.59Å; F1173-W1317 HydrophobicContact CD1-CH2 4.04Å; F1173-W1317 HydrophobicContact CD1-CZ2 4.2Å; F1173-W1317 HydrophobicContact CD1-CZ3 4.26Å; F1173-W1317 AromaticContact CE1-CD2 3.82Å; F1173-W1317 HydrophobicContact CE1-CD2 3.82Å; F1173-W1317 AromaticContact CE1-CE2 3.52Å; F1173-W1317 HydrophobicContact CE1-CE3 4.07Å; F1173-W1317 HydrophobicContact CE1-CG 4.5Å; F1173-W1317 AromaticContact CE1-CH2 3.78Å; F1173-W1317 HydrophobicContact CE1-CH2 3.78Å; F1173-W1317 AromaticContact CE1-CZ2 3.51Å; F1173-W1317 HydrophobicContact CE1-CZ2 3.51Å; F1173-W1317 HydrophobicContact CE1-CZ3 4.06Å; F1173-W1317 AromaticContact CZ-CE2 3.97Å; F1173-W1317 HydrophobicContact CZ-CZ2 4.02Å |
| 1174 | N | 90 | Very high | 85.1 | Confident | 17 Ų | 17 | 35.3 Ų | 35.3 | 9% | 0.091 | 17% | 0.17 | C | C | . | . | trans | -104.1 | 125.1 | 174 | -177 | -37.4 | 0 | 0 | 0 | 109.9 | E1115 E1170 I1172 R1176 Q1177 I1178 | E1115-N1174 PolarHBondContact OE1-ND2 2.87Å; E1170-N1174 WeakPolarHBondContact O-CB 3.24Å; E1170-N1174 PolarHBondContact O-ND2 2.72Å; I1172-N1174 PolarHBondContact O-N 2.9Å; N1174-R1176 VanDerWaalsContact C-N 3.3Å; N1174-R1176 PolarHBondContact O-N 2.81Å; N1174-R1176 PolarHBondContact OD1-N 2.81Å; N1174-Q1177 HydrophobicContact CB-CB 4.1Å; N1174-Q1177 HydrophobicContact CB-CG 3.84Å; N1174-Q1177 PolarHBondContact O-N 3.06Å; N1174-I1178 PolarHBondContact O-N 3.11Å; N1174-I1178 VanDerWaalsContact O-N 3.14Å | ||
| 1175 | N | 89.7 | Confident | 83.7 | Confident | 81 Ų | 81 | 42.1 Ų | 42.1 | 43% | 0.433 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -50.5 | -49.1 | -179.5 | -59.9 | 27.3 | 0 | 0 | 0 | 111.7 | Q1177 I1178 E1179 L1193 L1196 | N1175-Q1177 PolarHBondContact O-N 3.38Å; N1175-I1178 PolarHBondContact O-N 2.77Å; N1175-E1179 WeakPolarHBondContact O-CB 3.25Å; N1175-E1179 VanDerWaalsContact O-CG 3.26Å; N1175-E1179 WeakPolarHBondContact O-CG 3.35Å; N1175-E1179 PolarHBondContact O-N 3.38Å; N1175-L1193 HydrophobicContact CB-CD2 4.36Å; N1175-L1196 HydrophobicContact CB-CD2 4.23Å; N1175-L1196 WeakPolarHBondContact OD1-CD2 3.32Å |
| 1176 | R | 85.3 | Confident | 82.7 | Confident | 115 Ų | 115 | 44.9 Ų | 44.9 | 43% | 0.434 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -66.5 | -40.5 | -176.3 | -70.5 | -179.9 | 171.3 | -173.4 | -4.6 | 112.2 | E1115 N1174 I1178 E1179 L1180 | E1115-R1176 PolarHBondContact O-NH1 2.86Å; N1174-R1176 VanDerWaalsContact C-N 3.3Å; N1174-R1176 PolarHBondContact O-N 2.81Å; N1174-R1176 PolarHBondContact OD1-N 2.81Å; R1176-I1178 PolarHBondContact O-N 2.95Å; R1176-E1179 PolarHBondContact O-N 3.49Å; R1176-L1180 WeakPolarHBondContact O-CG 3.33Å; R1176-L1180 PolarHBondContact O-N 3.48Å; R1176-L1180 VanDerWaalsContact O-N 3.11Å |
| 1177 | Q | 86.8 | Confident | 81.6 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.5 | -33.1 | -180 | -62.3 | -60.8 | -25.7 | 0 | 0 | 111.5 | S1111 N1143 V1171 N1174 N1175 | S1111-Q1177 PolarHBondContact OG-NE2 3.07Å; N1143-Q1177 PolarHBondContact ND2-O 2.77Å; N1143-Q1177 PolarHBondContact ND2-OE1 3.28Å; V1171-Q1177 WeakPolarHBondContact O-CB 3.41Å; N1174-Q1177 HydrophobicContact CB-CB 4.1Å; N1174-Q1177 HydrophobicContact CB-CG 3.84Å; N1174-Q1177 PolarHBondContact O-N 3.06Å; N1175-Q1177 PolarHBondContact O-N 3.38Å |
| 1178 | I | 85.6 | Confident | 80.8 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -79.8 | -37.9 | 175.5 | -65.9 | 172.5 | 0 | 0 | 0 | 111.5 | N1174 N1175 R1176 L1180 N1181 V1189 L1193 L1196 W1317 Y1320 | N1174-I1178 PolarHBondContact O-N 3.11Å; N1174-I1178 VanDerWaalsContact O-N 3.14Å; N1175-I1178 PolarHBondContact O-N 2.77Å; R1176-I1178 PolarHBondContact O-N 2.95Å; I1178-L1180 PolarHBondContact O-N 2.91Å; I1178-N1181 WeakPolarHBondContact O-CA 3.49Å; I1178-N1181 VanDerWaalsContact O-CB 3.28Å; I1178-N1181 WeakPolarHBondContact O-CB 3.38Å; I1178-N1181 PolarHBondContact O-N 3.34Å; I1178-V1189 HydrophobicContact CG2-CG1 3.9Å; I1178-L1193 HydrophobicContact CB-CD2 4.22Å; I1178-L1193 HydrophobicContact CG2-CD2 3.98Å; I1178-L1193 HydrophobicContact CG2-CG 4.42Å; I1178-L1196 HydrophobicContact CD1-CD1 3.44Å; I1178-L1196 VanDerWaalsContact CD1-CD1 3.44Å; I1178-L1196 HydrophobicContact CD1-CD2 3.82Å; I1178-L1196 HydrophobicContact CD1-CG 4.31Å; I1178-W1317 HydrophobicContact CD1-CH2 4.29Å; I1178-W1317 HydrophobicContact CD1-CZ3 4.07Å; I1178-Y1320 HydrophobicContact CG2-CE2 4.45Å |
| 1179 | E | 84 | Confident | 80.3 | Confident | 90 Ų | 90 | 45.6 Ų | 45.6 | 42% | 0.421 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -57.7 | -33.4 | 173.7 | -79.2 | 167.2 | -165 | 0 | 0 | 112.1 | N1175 R1176 N1181 S1182 L1193 | N1175-E1179 WeakPolarHBondContact O-CB 3.25Å; N1175-E1179 VanDerWaalsContact O-CG 3.26Å; N1175-E1179 WeakPolarHBondContact O-CG 3.35Å; N1175-E1179 PolarHBondContact O-N 3.38Å; R1176-E1179 PolarHBondContact O-N 3.49Å; E1179-N1181 PolarHBondContact O-N 2.97Å; E1179-N1181 VanDerWaalsContact O-N 3.11Å; E1179-S1182 WeakPolarHBondContact O-CB 3.41Å; E1179-S1182 PolarHBondContact O-N 2.94Å; E1179-S1182 PolarHBondContact O-OG 3.2Å; E1179-L1193 HydrophobicContact CG-CD1 3.49Å; E1179-L1193 VanDerWaalsContact CG-CD1 3.49Å; E1179-L1193 HydrophobicContact CG-CD2 4.08Å; E1179-L1193 HydrophobicContact CG-CG 4.45Å |
| 1180 | L | 79.2 | Confident | 80 | Confident | 34 Ų | 34 | 52 Ų | 52 | 18% | 0.178 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -7.1 | 173.4 | -69.9 | 171 | 0 | 0 | 0 | 113.7 | L1114 N1143 R1176 I1178 F1183 | L1114-L1180 HydrophobicContact CD1-CD1 4.38Å; N1143-L1180 HydrophobicContact CB-CB 4.02Å; R1176-L1180 WeakPolarHBondContact O-CG 3.33Å; R1176-L1180 PolarHBondContact O-N 3.48Å; R1176-L1180 VanDerWaalsContact O-N 3.11Å; I1178-L1180 PolarHBondContact O-N 2.91Å; L1180-F1183 VanDerWaalsContact O-CD2 3.31Å; L1180-F1183 WeakPolarHBondContact O-CD2 3.39Å; L1180-F1183 WeakPolarHBondContact O-CE2 3.39Å |
| 1181 | N | 77.8 | Confident | 79.7 | Confident | 5 Ų | 5 | 53.5 Ų | 53.5 | 3% | 0.027 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -1 | 169.3 | -64.5 | -37 | 0 | 0 | 0 | 113.3 | G1142 N1143 I1178 E1179 F1183 L1187 V1189 Y1320 | G1142-N1181 WeakPolarHBondContact CA-OD1 3.42Å; N1143-N1181 VanDerWaalsContact CB-OD1 3.3Å; N1143-N1181 WeakPolarHBondContact CB-OD1 3.42Å; N1143-N1181 PolarHBondContact N-OD1 3.13Å; I1178-N1181 WeakPolarHBondContact O-CA 3.49Å; I1178-N1181 VanDerWaalsContact O-CB 3.28Å; I1178-N1181 WeakPolarHBondContact O-CB 3.38Å; I1178-N1181 PolarHBondContact O-N 3.34Å; E1179-N1181 PolarHBondContact O-N 2.97Å; E1179-N1181 VanDerWaalsContact O-N 3.11Å; N1181-F1183 PolarHBondContact O-N 2.93Å; N1181-L1187 HydrophobicContact CB-CD1 4Å; N1181-L1187 WeakPolarHBondContact O-CD1 3.28Å; N1181-V1189 HydrophobicContact CB-CG2 4.38Å; N1181-Y1320 PolarHBondContact ND2-OH 3.32Å |
| 1182 | S | 69 | Low | 79.5 | Confident | 63 Ų | 63 | 53.7 Ų | 53.7 | 44% | 0.441 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -7.6 | -173.2 | 59 | 0 | 0 | 0 | 0 | 115.8 | E1179 N1184 | E1179-S1182 WeakPolarHBondContact O-CB 3.41Å; E1179-S1182 PolarHBondContact O-N 2.94Å; E1179-S1182 PolarHBondContact O-OG 3.2Å; S1182-N1184 PolarHBondContact O-N 2.81Å |
| 1183 | F | 62.8 | Low | 79.4 | Confident | 110 Ų | 110 | 55.7 Ų | 55.7 | 48% | 0.482 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -17.4 | -178.7 | -52.9 | -70.7 | 0 | 0 | 0 | 114.3 | N1132 L1180 N1181 | N1132-F1183 WeakPolarHBondContact ND2-CE1 3.21Å; N1132-F1183 WeakPolarHBondContact ND2-CZ 3.28Å; N1132-F1183 WeakPolarHBondContact OD1-CD2 3.4Å; N1132-F1183 WeakPolarHBondContact OD1-CE2 3.15Å; N1132-F1183 WeakPolarHBondContact OD1-CZ 3.43Å; L1180-F1183 VanDerWaalsContact O-CD2 3.31Å; L1180-F1183 WeakPolarHBondContact O-CD2 3.39Å; L1180-F1183 WeakPolarHBondContact O-CE2 3.39Å; N1181-F1183 PolarHBondContact O-N 2.93Å |
| 1184 | N | 59.6 | Low | 79.3 | Confident | 22 Ų | 22 | 65.8 Ų | 65.8 | 12% | 0.118 | 32% | 0.316 | C | S | . | . | trans | -105.9 | 107.3 | 175.5 | -75.9 | -30.6 | 0 | 0 | 0 | 110 | N1140 S1182 T1186 L1187 | N1140-N1184 PolarHBondContact ND2-OD1 3.14Å; S1182-N1184 PolarHBondContact O-N 2.81Å; N1184-T1186 PolarHBondContact O-N 3.28Å; N1184-L1187 HydrophobicContact CB-CD1 4.04Å; N1184-L1187 HydrophobicContact CB-CG 4.16Å; N1184-L1187 PolarHBondContact O-N 3.24Å | ||
| 1185 | D | 61.9 | Low | 79.4 | Confident | 153 Ų | 153 | 67.5 Ų | 67.5 | 82% | 0.818 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -53.5 | -23.7 | 173.8 | -70.7 | -25.7 | 0 | 0 | 0 | 112.4 | L1187 | D1185-L1187 VanDerWaalsContact C-N 3.31Å; D1185-L1187 PolarHBondContact O-N 3Å |
| 1186 | T | 67.6 | Low | 79.5 | Confident | 88 Ų | 88 | 63.7 Ų | 63.7 | 54% | 0.54 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -68.4 | -23.9 | 179.6 | 58.2 | 0 | 0 | 0 | 0 | 114.3 | N1184 N1188 K1323 | N1184-T1186 PolarHBondContact O-N 3.28Å; T1186-N1188 VanDerWaalsContact C-N 3.32Å; T1186-N1188 PolarHBondContact O-N 3.38Å; T1186-K1323 WeakPolarHBondContact O-CD 3.4Å |
| 1187 | L | 71.1 | Confident | 79.8 | Confident | 6 Ų | 6 | 64.1 Ų | 64.1 | 3% | 0.031 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -77.8 | -13.8 | -175.8 | -76.5 | 172.4 | 0 | 0 | 0 | 113.6 | N1181 N1184 D1185 V1189 K1323 I1324 L1327 | N1181-L1187 HydrophobicContact CB-CD1 4Å; N1181-L1187 WeakPolarHBondContact O-CD1 3.28Å; N1184-L1187 HydrophobicContact CB-CD1 4.04Å; N1184-L1187 HydrophobicContact CB-CG 4.16Å; N1184-L1187 PolarHBondContact O-N 3.24Å; D1185-L1187 VanDerWaalsContact C-N 3.31Å; D1185-L1187 PolarHBondContact O-N 3Å; L1187-V1189 HydrophobicContact CB-CG2 3.63Å; L1187-V1189 HydrophobicContact CD1-CG2 4.38Å; L1187-V1189 PolarHBondContact O-N 2.97Å; L1187-K1323 HydrophobicContact CD2-CB 3.85Å; L1187-I1324 HydrophobicContact CD2-CG1 3.58Å; L1187-L1327 HydrophobicContact CD1-CD1 4.13Å; L1187-L1327 HydrophobicContact CD2-CD1 3.79Å; L1187-L1327 HydrophobicContact CG-CD1 3.9Å |
| 1188 | N | 75.9 | Confident | 80.1 | Confident | 75 Ų | 75 | 68 Ų | 68 | 40% | 0.401 | 33% | 0.326 | S | S | . | . | trans | 48.9 | 42.5 | -172.8 | -68 | -13.5 | 0 | 0 | 0 | 112.7 | T1186 E1190 Y1191 V1192 K1323 | T1186-N1188 VanDerWaalsContact C-N 3.32Å; T1186-N1188 PolarHBondContact O-N 3.38Å; N1188-E1190 PolarHBondContact O-N 3.46Å; N1188-Y1191 WeakPolarHBondContact O-CB 3.42Å; N1188-Y1191 PolarHBondContact O-N 3.17Å; N1188-V1192 PolarHBondContact O-N 3.15Å; N1188-K1323 PolarHBondContact ND2-NZ 3.34Å | ||
| 1189 | V | 82.9 | Confident | 80.4 | Confident | 10 Ų | 10 | 68 Ų | 68 | 6% | 0.061 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -54.7 | -40.7 | -174.8 | 176.6 | 0 | 0 | 0 | 0 | 112 | I1178 N1181 L1187 Y1191 V1192 L1193 | I1178-V1189 HydrophobicContact CG2-CG1 3.9Å; N1181-V1189 HydrophobicContact CB-CG2 4.38Å; L1187-V1189 HydrophobicContact CB-CG2 3.63Å; L1187-V1189 HydrophobicContact CD1-CG2 4.38Å; L1187-V1189 PolarHBondContact O-N 2.97Å; V1189-Y1191 VanDerWaalsContact C-N 3.28Å; V1189-Y1191 PolarHBondContact O-N 3.46Å; V1189-V1192 PolarHBondContact O-N 3.2Å; V1189-V1192 VanDerWaalsContact O-N 3.15Å; V1189-L1193 HydrophobicContact CG1-CD1 3.78Å; V1189-L1193 HydrophobicContact CG1-CG 4.02Å; V1189-L1193 WeakPolarHBondContact O-CG 3.18Å; V1189-L1193 PolarHBondContact O-N 2.94Å |
| 1190 | E | 84.7 | Confident | 80.8 | Confident | 169 Ų | 169 | 67.3 Ų | 67.3 | 79% | 0.79 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -58.2 | -38.2 | 178.2 | -169.7 | 179.6 | -179.2 | 0 | 0 | 112.9 | N1188 L1193 R1194 | N1188-E1190 PolarHBondContact O-N 3.46Å; E1190-L1193 PolarHBondContact O-N 3.4Å; E1190-R1194 PolarHBondContact O-N 3.48Å |
| 1191 | Y | 85 | Confident | 81.4 | Confident | 84 Ų | 84 | 70 Ų | 70 | 33% | 0.329 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -67.7 | -40.6 | 177.7 | -175.3 | -100.9 | 0 | 0 | 0 | 111.8 | N1188 V1189 T1316 L1369 | N1188-Y1191 WeakPolarHBondContact O-CB 3.42Å; N1188-Y1191 PolarHBondContact O-N 3.17Å; V1189-Y1191 VanDerWaalsContact C-N 3.28Å; V1189-Y1191 PolarHBondContact O-N 3.46Å; Y1191-T1316 HydrophobicContact CD1-CG2 3.77Å; Y1191-T1316 HydrophobicContact CE1-CG2 3.65Å; Y1191-L1369 HydrophobicContact CE1-CD1 4.5Å; Y1191-L1369 HydrophobicContact CE1-CD2 4.38Å |
| 1192 | V | 87.8 | Confident | 82 | Confident | 4 Ų | 4 | 70.2 Ų | 70.2 | 2% | 0.024 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.1 | -46.5 | 175.3 | -179.6 | 0 | 0 | 0 | 0 | 110.3 | N1188 V1189 R1194 R1195 L1196 I1199 T1316 W1317 Y1320 | N1188-V1192 PolarHBondContact O-N 3.15Å; V1189-V1192 PolarHBondContact O-N 3.2Å; V1189-V1192 VanDerWaalsContact O-N 3.15Å; V1192-R1194 VanDerWaalsContact C-N 3.29Å; V1192-R1194 PolarHBondContact O-N 3.43Å; V1192-R1195 CarbonylContact O-C 3.38Å; V1192-R1195 PolarHBondContact O-N 3.49Å; V1192-R1195 VanDerWaalsContact O-N 3.1Å; V1192-L1196 HydrophobicContact CG1-CD1 4.38Å; V1192-L1196 WeakPolarHBondContact O-CA 3.22Å; V1192-L1196 WeakPolarHBondContact O-CB 3.44Å; V1192-L1196 PolarHBondContact O-N 2.99Å; V1192-I1199 HydrophobicContact CG1-CD1 4.36Å; V1192-T1316 HydrophobicContact CG2-CG2 4.28Å; V1192-W1317 HydrophobicContact CG1-CE3 4.32Å; V1192-W1317 HydrophobicContact CG1-CZ3 4.28Å; V1192-Y1320 HydrophobicContact CG2-CD2 3.97Å; V1192-Y1320 HydrophobicContact CG2-CG 4.08Å |
| 1193 | L | 89.1 | Confident | 83 | Confident | 43 Ų | 43 | 67.2 Ų | 67.2 | 23% | 0.225 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59 | -39.1 | 179.5 | -71.2 | 174.3 | 0 | 0 | 0 | 112.3 | N1175 I1178 E1179 V1189 E1190 R1195 L1196 | N1175-L1193 HydrophobicContact CB-CD2 4.36Å; I1178-L1193 HydrophobicContact CB-CD2 4.22Å; I1178-L1193 HydrophobicContact CG2-CD2 3.98Å; I1178-L1193 HydrophobicContact CG2-CG 4.42Å; E1179-L1193 HydrophobicContact CG-CD1 3.49Å; E1179-L1193 VanDerWaalsContact CG-CD1 3.49Å; E1179-L1193 HydrophobicContact CG-CD2 4.08Å; E1179-L1193 HydrophobicContact CG-CG 4.45Å; V1189-L1193 HydrophobicContact CG1-CD1 3.78Å; V1189-L1193 HydrophobicContact CG1-CG 4.02Å; V1189-L1193 WeakPolarHBondContact O-CG 3.18Å; V1189-L1193 PolarHBondContact O-N 2.94Å; E1190-L1193 PolarHBondContact O-N 3.4Å; L1193-R1195 PolarHBondContact O-N 3.26Å; L1193-L1196 HydrophobicContact CD2-CD2 4.09Å; L1193-L1196 PolarHBondContact O-N 3.28Å |
| 1194 | R | 90.1 | Very high | 84.2 | Confident | 211 Ų | 211 | 64.7 Ų | 64.7 | 80% | 0.796 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -60.8 | -29 | 177.3 | -176.7 | 175.5 | 173 | -176.9 | -2.1 | 113.5 | E1190 V1192 | E1190-R1194 PolarHBondContact O-N 3.48Å; V1192-R1194 VanDerWaalsContact C-N 3.29Å; V1192-R1194 PolarHBondContact O-N 3.43Å |
| 1195 | R | 90.6 | Very high | 85.3 | Confident | 53 Ų | 53 | 67 Ų | 67 | 20% | 0.2 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.6 | 9.4 | 179.3 | -61.1 | -166.4 | 72.7 | 99.9 | -2.4 | 113.7 | V1192 L1193 H1197 E1198 I1199 D1309 N1313 | V1192-R1195 CarbonylContact O-C 3.38Å; V1192-R1195 PolarHBondContact O-N 3.49Å; V1192-R1195 VanDerWaalsContact O-N 3.1Å; L1193-R1195 PolarHBondContact O-N 3.26Å; R1195-H1197 PolarHBondContact O-N 2.8Å; R1195-E1198 VanDerWaalsContact CA-OE2 3.24Å; R1195-E1198 WeakPolarHBondContact CA-OE2 3.36Å; R1195-E1198 PolarHBondContact O-N 3.29Å; R1195-E1198 VanDerWaalsContact O-OE2 3.1Å; R1195-I1199 HydrophobicContact CB-CD1 4.21Å; R1195-I1199 VanDerWaalsContact O-CG1 3.27Å; R1195-I1199 WeakPolarHBondContact O-CG1 3.31Å; R1195-I1199 PolarHBondContact O-N 3.35Å; R1195-D1309 IonicContact NH2-OD1 2.84Å; R1195-N1313 PolarHBondContact NE-OD1 2.92Å; R1195-N1313 PolarHBondContact NH2-OD1 2.95Å |
| 1196 | L | 92.1 | Very high | 86.3 | Confident | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.3 | -33 | -169.3 | -175.2 | 66.7 | 0 | 0 | 0 | 111.7 | F1173 N1175 I1178 V1192 L1193 I1199 R1200 | F1173-L1196 HydrophobicContact CD1-CD1 4.18Å; N1175-L1196 HydrophobicContact CB-CD2 4.23Å; N1175-L1196 WeakPolarHBondContact OD1-CD2 3.32Å; I1178-L1196 HydrophobicContact CD1-CD1 3.44Å; I1178-L1196 VanDerWaalsContact CD1-CD1 3.44Å; I1178-L1196 HydrophobicContact CD1-CD2 3.82Å; I1178-L1196 HydrophobicContact CD1-CG 4.31Å; V1192-L1196 HydrophobicContact CG1-CD1 4.38Å; V1192-L1196 WeakPolarHBondContact O-CA 3.22Å; V1192-L1196 WeakPolarHBondContact O-CB 3.44Å; V1192-L1196 PolarHBondContact O-N 2.99Å; L1193-L1196 HydrophobicContact CD2-CD2 4.09Å; L1193-L1196 PolarHBondContact O-N 3.28Å; L1196-I1199 PolarHBondContact O-N 2.89Å; L1196-R1200 WeakPolarHBondContact O-CB 3.45Å; L1196-R1200 PolarHBondContact O-N 3.32Å |
| 1197 | H | 92.3 | Very high | 87.1 | Confident | 125 Ų | 125 | 56.9 Ų | 56.9 | 58% | 0.579 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -60.4 | -48.8 | 176.4 | -179 | 56.5 | 0 | 0 | 0 | 111 | R1195 R1200 E1201 | R1195-H1197 PolarHBondContact O-N 2.8Å; H1197-R1200 WeakPolarHBondContact O-CB 3.38Å; H1197-R1200 PolarHBondContact O-N 3.01Å; H1197-E1201 WeakPolarHBondContact O-CG 3.29Å; H1197-E1201 PolarHBondContact O-N 3.41Å |
| 1198 | E | 93.1 | Very high | 87.6 | Confident | 82 Ų | 82 | 57 Ų | 57 | 38% | 0.383 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -71.5 | -33.4 | -179.6 | -56.9 | 86.3 | 166.7 | 0 | 0 | 112.4 | R1195 L1202 N1313 | R1195-E1198 VanDerWaalsContact CA-OE2 3.24Å; R1195-E1198 WeakPolarHBondContact CA-OE2 3.36Å; R1195-E1198 PolarHBondContact O-N 3.29Å; R1195-E1198 VanDerWaalsContact O-OE2 3.1Å; E1198-L1202 WeakPolarHBondContact O-CB 3.36Å; E1198-L1202 PolarHBondContact O-N 2.85Å; E1198-N1313 VanDerWaalsContact CB-ND2 3.29Å; E1198-N1313 WeakPolarHBondContact CB-ND2 3.46Å |
| 1199 | I | 92.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.2 | -46.1 | 172 | -67 | 166.4 | 0 | 0 | 0 | 110.2 | F1173 V1192 R1195 L1196 L1202 Y1203 N1313 T1316 W1317 | F1173-I1199 HydrophobicContact CD1-CG2 4.05Å; F1173-I1199 HydrophobicContact CE1-CG2 3.64Å; V1192-I1199 HydrophobicContact CG1-CD1 4.36Å; R1195-I1199 HydrophobicContact CB-CD1 4.21Å; R1195-I1199 VanDerWaalsContact O-CG1 3.27Å; R1195-I1199 WeakPolarHBondContact O-CG1 3.31Å; R1195-I1199 PolarHBondContact O-N 3.35Å; L1196-I1199 PolarHBondContact O-N 2.89Å; I1199-L1202 WeakPolarHBondContact O-CB 3.24Å; I1199-L1202 PolarHBondContact O-N 2.95Å; I1199-Y1203 HydrophobicContact CG2-CD2 3.93Å; I1199-Y1203 HydrophobicContact CG2-CE2 4.19Å; I1199-Y1203 WeakPolarHBondContact O-CD2 3.09Å; I1199-Y1203 PolarHBondContact O-N 3.23Å; I1199-N1313 HydrophobicContact CG1-CB 3.86Å; I1199-T1316 HydrophobicContact CD1-CG2 3.94Å; I1199-W1317 HydrophobicContact CG2-CB 4.08Å; I1199-W1317 HydrophobicContact CG2-CD2 4.18Å; I1199-W1317 HydrophobicContact CG2-CE3 4.12Å; I1199-W1317 HydrophobicContact CG2-CG 4.18Å |
| 1200 | R | 93 | Very high | 86.2 | Confident | 75 Ų | 75 | 56.7 Ų | 56.7 | 28% | 0.283 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.5 | -49 | 177.8 | 176 | 175.8 | 163.3 | 157.3 | -4.8 | 110.8 | L1169 F1173 L1196 H1197 L1202 Y1203 Y1204 | L1169-R1200 HydrophobicContact CD2-CG 4.26Å; L1169-R1200 VanDerWaalsContact CD2-NE 3.3Å; L1169-R1200 PolarHBondContact O-NH1 2.82Å; F1173-R1200 HydrophobicContact CB-CB 3.83Å; F1173-R1200 HydrophobicContact CB-CG 3.82Å; F1173-R1200 HydrophobicContact CG-CB 4.23Å; F1173-R1200 HydrophobicContact CG-CG 4.42Å; L1196-R1200 WeakPolarHBondContact O-CB 3.45Å; L1196-R1200 PolarHBondContact O-N 3.32Å; H1197-R1200 WeakPolarHBondContact O-CB 3.38Å; H1197-R1200 PolarHBondContact O-N 3.01Å; R1200-L1202 VanDerWaalsContact C-N 3.32Å; R1200-L1202 PolarHBondContact O-N 3.09Å; R1200-Y1203 PolarHBondContact O-N 3.3Å; R1200-Y1204 WeakPolarHBondContact O-CB 3.39Å; R1200-Y1204 PolarHBondContact O-N 3.49Å |
| 1201 | E | 90 | Very high | 84.5 | Confident | 92 Ų | 92 | 50.9 Ų | 50.9 | 43% | 0.43 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.2 | -40.6 | 177.8 | -72.5 | -56.4 | 122.1 | 0 | 0 | 111.9 | H1197 H1205 | H1197-E1201 WeakPolarHBondContact O-CG 3.29Å; H1197-E1201 PolarHBondContact O-N 3.41Å; E1201-H1205 VanDerWaalsContact O-CB 3.27Å; E1201-H1205 WeakPolarHBondContact O-CB 3.32Å; E1201-H1205 PolarHBondContact O-N 2.89Å |
| 1202 | L | 90.2 | Very high | 82 | Confident | 8 Ų | 8 | 50 Ų | 50 | 4% | 0.042 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.8 | -56.4 | 175.6 | 175.5 | 63.5 | 0 | 0 | 0 | 111.7 | E1198 I1199 R1200 H1205 E1206 P1283 R1310 N1313 C1314 | E1198-L1202 WeakPolarHBondContact O-CB 3.36Å; E1198-L1202 PolarHBondContact O-N 2.85Å; I1199-L1202 WeakPolarHBondContact O-CB 3.24Å; I1199-L1202 PolarHBondContact O-N 2.95Å; R1200-L1202 VanDerWaalsContact C-N 3.32Å; R1200-L1202 PolarHBondContact O-N 3.09Å; L1202-H1205 PolarHBondContact O-N 2.91Å; L1202-E1206 HydrophobicContact CD1-CG 4.47Å; L1202-E1206 WeakPolarHBondContact O-CG 3.45Å; L1202-E1206 PolarHBondContact O-N 3.44Å; L1202-P1283 HydrophobicContact CD1-CB 4.38Å; L1202-P1283 HydrophobicContact CD2-CB 4.23Å; L1202-P1283 HydrophobicContact CD2-CG 4.14Å; L1202-P1283 HydrophobicContact CG-CB 4.49Å; L1202-P1283 HydrophobicContact CG-CG 4.25Å; L1202-R1310 HydrophobicContact CD1-CB 4.14Å; L1202-R1310 HydrophobicContact CD1-CG 3.94Å; L1202-R1310 WeakPolarHBondContact CD2-O 3.46Å; L1202-N1313 HydrophobicContact CD2-CB 3.9Å; L1202-C1314 HydrophobicContact CD2-CB 4.27Å |
| 1203 | Y | 90.8 | Very high | 79.1 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -72.5 | -29.7 | -177.3 | -81.3 | -82.3 | 0 | 0 | 0 | 112.9 | F1173 I1199 R1200 H1205 E1206 L1207 W1279 V1280 P1283 W1317 | F1173-Y1203 HydrophobicContact CE1-CD2 4.1Å; F1173-Y1203 HydrophobicContact CE1-CG 4.45Å; F1173-Y1203 HydrophobicContact CE2-CG 4.15Å; F1173-Y1203 VanDerWaalsContact CZ-CB 3.49Å; F1173-Y1203 HydrophobicContact CZ-CD1 4.38Å; F1173-Y1203 AromaticContact CZ-CD2 3.67Å; F1173-Y1203 HydrophobicContact CZ-CD2 3.67Å; F1173-Y1203 AromaticContact CZ-CG 3.59Å; F1173-Y1203 HydrophobicContact CZ-CG 3.59Å; I1199-Y1203 HydrophobicContact CG2-CD2 3.93Å; I1199-Y1203 HydrophobicContact CG2-CE2 4.19Å; I1199-Y1203 WeakPolarHBondContact O-CD2 3.09Å; I1199-Y1203 PolarHBondContact O-N 3.23Å; R1200-Y1203 PolarHBondContact O-N 3.3Å; Y1203-H1205 VanDerWaalsContact C-N 3.32Å; Y1203-E1206 PolarHBondContact O-N 3.39Å; Y1203-L1207 HydrophobicContact CD1-CD1 4.06Å; Y1203-L1207 HydrophobicContact CD1-CG 4.37Å; Y1203-L1207 VanDerWaalsContact O-CB 3.22Å; Y1203-L1207 WeakPolarHBondContact O-CB 3.29Å; Y1203-L1207 VanDerWaalsContact O-CG 3.25Å; Y1203-L1207 WeakPolarHBondContact O-CG 3.49Å; Y1203-L1207 PolarHBondContact O-N 3.01Å; Y1203-W1279 HydrophobicContact CD1-CE3 4.19Å; Y1203-W1279 HydrophobicContact CD1-CZ3 4.25Å; Y1203-W1279 HydrophobicContact CE1-CE3 4.14Å; Y1203-W1279 HydrophobicContact CE1-CZ3 4.21Å; Y1203-V1280 PolarHBondContact OH-O 2.94Å; Y1203-P1283 HydrophobicContact CD1-CG 4.47Å; Y1203-P1283 HydrophobicContact CE1-CG 3.9Å; Y1203-P1283 HydrophobicContact CE2-CG 4.47Å; Y1203-W1317 HydrophobicContact CE2-CB 3.95Å; Y1203-W1317 AromaticContact CE2-CD1 3.47Å; Y1203-W1317 VanDerWaalsContact CE2-CD1 3.47Å; Y1203-W1317 AromaticContact CE2-CG 3.8Å; Y1203-W1317 HydrophobicContact CE2-CG 3.8Å; Y1203-W1317 AromaticContact CZ-CD1 3.49Å; Y1203-W1317 VanDerWaalsContact CZ-CD1 3.49Å |
| 1204 | Y | 89 | Confident | 76.2 | Confident | 58 Ų | 58 | 53 Ų | 53 | 23% | 0.227 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.7 | -43.4 | 170 | -177.6 | -104.1 | 0 | 0 | 0 | 110.7 | T1165 L1169 R1200 V1208 L1209 | T1165-Y1204 HydrophobicContact CG2-CE2 4.04Å; L1169-Y1204 HydrophobicContact CD1-CD2 4.48Å; L1169-Y1204 HydrophobicContact CD1-CE2 4.11Å; L1169-Y1204 HydrophobicContact CD2-CD2 3.78Å; L1169-Y1204 HydrophobicContact CD2-CE2 4.22Å; L1169-Y1204 HydrophobicContact CD2-CG 4.45Å; L1169-Y1204 HydrophobicContact CG-CD2 4.39Å; L1169-Y1204 HydrophobicContact CG-CE2 4.49Å; R1200-Y1204 WeakPolarHBondContact O-CB 3.39Å; R1200-Y1204 PolarHBondContact O-N 3.49Å; Y1204-V1208 HydrophobicContact CD2-CB 3.82Å; Y1204-V1208 HydrophobicContact CD2-CG1 4.31Å; Y1204-V1208 HydrophobicContact CD2-CG2 3.64Å; Y1204-V1208 HydrophobicContact CE2-CB 3.73Å; Y1204-V1208 HydrophobicContact CE2-CG1 3.69Å; Y1204-V1208 HydrophobicContact CE2-CG2 3.8Å; Y1204-V1208 HydrophobicContact CG-CB 4.41Å; Y1204-V1208 WeakPolarHBondContact O-CA 3.21Å; Y1204-V1208 VanDerWaalsContact O-CB 3.26Å; Y1204-V1208 WeakPolarHBondContact O-CB 3.48Å; Y1204-V1208 PolarHBondContact O-N 3.28Å; Y1204-L1209 HydrophobicContact CD1-CD1 4Å; Y1204-L1209 HydrophobicContact CD1-CG 4.08Å; Y1204-L1209 HydrophobicContact CE1-CD1 3.82Å; Y1204-L1209 HydrophobicContact CE1-CD2 4.05Å; Y1204-L1209 HydrophobicContact CE1-CG 3.73Å; Y1204-L1209 PolarHBondContact O-N 3.03Å |
| 1205 | H | 82.8 | Confident | 73.1 | Confident | 70 Ų | 70 | 46.1 Ų | 46.1 | 32% | 0.324 | 24% | 0.24 | S | C | . | . | I | π-helix | trans | -63.7 | -40.8 | 174.8 | -173.6 | 80.4 | 0 | 0 | 0 | 112.3 | E1201 L1202 Y1203 L1209 G1210 | E1201-H1205 VanDerWaalsContact O-CB 3.27Å; E1201-H1205 WeakPolarHBondContact O-CB 3.32Å; E1201-H1205 PolarHBondContact O-N 2.89Å; L1202-H1205 PolarHBondContact O-N 2.91Å; Y1203-H1205 VanDerWaalsContact C-N 3.32Å; H1205-L1209 CarbonylContact O-C 3.6Å; H1205-G1210 WeakPolarHBondContact O-CA 3.44Å; H1205-G1210 PolarHBondContact O-N 3.1Å |
| 1206 | E | 82.8 | Confident | 69.9 | Low | 20 Ų | 20 | 49.2 Ų | 49.2 | 9% | 0.093 | 26% | 0.26 | C | S | . | . | I | π-helix | trans | -73.7 | -45.4 | 179.6 | -64.2 | -65.9 | -179.8 | 0 | 0 | 113.2 | L1202 Y1203 P1283 H1286 R1310 | L1202-E1206 HydrophobicContact CD1-CG 4.47Å; L1202-E1206 WeakPolarHBondContact O-CG 3.45Å; L1202-E1206 PolarHBondContact O-N 3.44Å; Y1203-E1206 PolarHBondContact O-N 3.39Å; E1206-P1283 HydrophobicContact CG-CG 4.11Å; E1206-H1286 IonicContact OE1-ND1 3.87Å; E1206-H1286 IonicContact OE2-CE1 2.82Å; E1206-H1286 IonicContact OE2-CG 2.85Å; E1206-H1286 IonicContact OE2-ND1 2.62Å; E1206-H1286 PolarHBondContact OE2-ND1 2.65Å; E1206-R1310 IonicContact OE1-CZ 2.96Å; E1206-R1310 IonicContact OE1-NH2 3.8Å; E1206-R1310 PolarHBondContact OE1-NH2 3.38Å |
| 1207 | L | 84.5 | Confident | 66.8 | Low | 8 Ų | 8 | 53.4 Ų | 53.4 | 4% | 0.042 | 29% | 0.294 | C | S | . | . | I | π-helix | trans | -91.9 | -25.5 | -168.5 | -56.1 | 178.5 | 0 | 0 | 0 | 113.5 | L1153 R1164 I1168 Y1203 I1275 W1279 | L1153-L1207 HydrophobicContact CD2-CD1 4.46Å; R1164-L1207 PolarHBondContact NH1-O 3.19Å; I1168-L1207 HydrophobicContact CD1-CB 4.04Å; I1168-L1207 HydrophobicContact CD1-CD1 4.09Å; Y1203-L1207 HydrophobicContact CD1-CD1 4.06Å; Y1203-L1207 HydrophobicContact CD1-CG 4.37Å; Y1203-L1207 VanDerWaalsContact O-CB 3.22Å; Y1203-L1207 WeakPolarHBondContact O-CB 3.29Å; Y1203-L1207 VanDerWaalsContact O-CG 3.25Å; Y1203-L1207 WeakPolarHBondContact O-CG 3.49Å; Y1203-L1207 PolarHBondContact O-N 3.01Å; L1207-I1275 HydrophobicContact CD2-CG2 4.37Å; L1207-W1279 HydrophobicContact CD1-CE3 3.87Å; L1207-W1279 HydrophobicContact CD1-CZ3 4.46Å; L1207-W1279 HydrophobicContact CD2-CB 3.8Å |
| 1208 | V | 80.7 | Confident | 63.5 | Low | 10 Ų | 10 | 56.3 Ų | 56.3 | 6% | 0.061 | 30% | 0.3 | C | S | . | . | I | π-helix | trans | -110.3 | -63 | -177.8 | -173.9 | 0 | 0 | 0 | 0 | 109.9 | I1168 Y1204 T1211 | I1168-V1208 HydrophobicContact CD1-CG2 3.94Å; Y1204-V1208 HydrophobicContact CD2-CB 3.82Å; Y1204-V1208 HydrophobicContact CD2-CG1 4.31Å; Y1204-V1208 HydrophobicContact CD2-CG2 3.64Å; Y1204-V1208 HydrophobicContact CE2-CB 3.73Å; Y1204-V1208 HydrophobicContact CE2-CG1 3.69Å; Y1204-V1208 HydrophobicContact CE2-CG2 3.8Å; Y1204-V1208 HydrophobicContact CG-CB 4.41Å; Y1204-V1208 WeakPolarHBondContact O-CA 3.21Å; Y1204-V1208 VanDerWaalsContact O-CB 3.26Å; Y1204-V1208 WeakPolarHBondContact O-CB 3.48Å; Y1204-V1208 PolarHBondContact O-N 3.28Å; V1208-T1211 PolarHBondContact O-OG1 3.3Å |
| 1209 | L | 73.6 | Confident | 60.1 | Low | 58 Ų | 58 | 59 Ų | 59 | 30% | 0.304 | 32% | 0.317 | S | S | . | . | I | π-helix | trans | -72.1 | -39.5 | -174.4 | -61.7 | 176 | 0 | 0 | 0 | 112.9 | Y1204 H1205 T1211 T1212 S1213 | Y1204-L1209 HydrophobicContact CD1-CD1 4Å; Y1204-L1209 HydrophobicContact CD1-CG 4.08Å; Y1204-L1209 HydrophobicContact CE1-CD1 3.82Å; Y1204-L1209 HydrophobicContact CE1-CD2 4.05Å; Y1204-L1209 HydrophobicContact CE1-CG 3.73Å; Y1204-L1209 PolarHBondContact O-N 3.03Å; H1205-L1209 CarbonylContact O-C 3.6Å; L1209-T1211 PolarHBondContact O-N 2.83Å; L1209-T1211 VanDerWaalsContact O-N 3.13Å; L1209-T1212 WeakPolarHBondContact CA-OG1 3.22Å; L1209-T1212 CarbonylContact O-C 3.53Å; L1209-T1212 WeakPolarHBondContact O-CA 3.44Å; L1209-T1212 PolarHBondContact O-N 3.22Å; L1209-T1212 PolarHBondContact O-OG1 2.91Å; L1209-S1213 PolarHBondContact O-N 2.89Å; L1209-S1213 PolarHBondContact O-OG 3.31Å; L1209-S1213 VanDerWaalsContact O-OG 3.11Å |
| 1210 | G | 56.4 | Low | 56.9 | Low | 19 Ų | 19 | 67.1 Ų | 67.1 | 20% | 0.196 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -26.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | H1205 T1212 N1261 | H1205-G1210 WeakPolarHBondContact O-CA 3.44Å; H1205-G1210 PolarHBondContact O-N 3.1Å; G1210-T1212 VanDerWaalsContact C-N 3.29Å; G1210-N1261 PolarHBondContact O-ND2 3.07Å |
| 1211 | T | 48.7 | Very low | 53.6 | Low | 47 Ų | 47 | 66.1 Ų | 66.1 | 29% | 0.288 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -18.4 | 171.4 | 68.5 | 0 | 0 | 0 | 0 | 113.7 | R1164 V1208 L1209 | R1164-T1211 PolarHBondContact NH1-OG1 3.3Å; V1208-T1211 PolarHBondContact O-OG1 3.3Å; L1209-T1211 PolarHBondContact O-N 2.83Å; L1209-T1211 VanDerWaalsContact O-N 3.13Å |
| 1212 | T | 32.8 | Very low | 50.4 | Low | 66 Ų | 66 | 68.4 Ų | 68.4 | 41% | 0.405 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113 | -32.1 | -175.3 | 61.4 | 0 | 0 | 0 | 0 | 114.6 | L1209 G1210 T1214 S1215 | L1209-T1212 WeakPolarHBondContact CA-OG1 3.22Å; L1209-T1212 CarbonylContact O-C 3.53Å; L1209-T1212 WeakPolarHBondContact O-CA 3.44Å; L1209-T1212 PolarHBondContact O-N 3.22Å; L1209-T1212 PolarHBondContact O-OG1 2.91Å; G1210-T1212 VanDerWaalsContact C-N 3.29Å; T1212-T1214 PolarHBondContact O-N 2.65Å; T1212-S1215 PolarHBondContact O-N 3.43Å |
| 1213 | S | 26.2 | Very low | 47.3 | Very low | 57 Ų | 57 | 74.5 Ų | 74.5 | 40% | 0.399 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.7 | -11.8 | -171.5 | -62.7 | 0 | 0 | 0 | 0 | 114.3 | L1209 | L1209-S1213 PolarHBondContact O-N 2.89Å; L1209-S1213 PolarHBondContact O-OG 3.31Å; L1209-S1213 VanDerWaalsContact O-OG 3.11Å |
| 1214 | T | 28.8 | Very low | 44.2 | Very low | 53 Ų | 53 | 81.6 Ų | 81.6 | 33% | 0.325 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -82.8 | -8.9 | 169.8 | 56.1 | 0 | 0 | 0 | 0 | 113.7 | T1212 | T1212-T1214 PolarHBondContact O-N 2.65Å |
| 1215 | S | 23.9 | Very low | 41.1 | Very low | 66 Ų | 66 | 85.9 Ų | 85.9 | 46% | 0.462 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -83 | -26.8 | 171.8 | 101.8 | 0 | 0 | 0 | 0 | 113 | T1212 A1217 | T1212-S1215 PolarHBondContact O-N 3.43Å; S1215-A1217 VanDerWaalsContact C-N 3.31Å |
| 1216 | I | 24 | Very low | 38.5 | Very low | 118 Ų | 118 | 90.9 Ų | 90.9 | 61% | 0.605 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -77.5 | -20.3 | -177.5 | -63.2 | 174.3 | 0 | 0 | 0 | 111.6 | R1218 N1219 | I1216-R1218 PolarHBondContact O-N 3.5Å; I1216-N1219 PolarHBondContact O-N 3.21Å |
| 1217 | A | 26.1 | Very low | 35.7 | Very low | 89 Ų | 89 | 96.7 Ų | 96.7 | 74% | 0.736 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | 10.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | S1215 | S1215-A1217 VanDerWaalsContact C-N 3.31Š|
| 1218 | R | 23.1 | Very low | 33 | Very low | 187 Ų | 187 | 103 Ų | 103 | 71% | 0.706 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.8 | -5.1 | 177 | -90 | -171.1 | 178.8 | -174.2 | -0.4 | 117 | I1216 H1262 | I1216-R1218 PolarHBondContact O-N 3.5Å; R1218-H1262 PolarHBondContact NH2-CE1 3.45Å; R1218-H1262 PolarHBondContact NH2-NE2 3.2Å |
| 1219 | N | 23.2 | Very low | 30.5 | Very low | 137 Ų | 137 | 109.6 Ų | 109.6 | 73% | 0.733 | 62% | 0.624 | S | S | * | * | trans | -104.6 | -0 | -173 | -79.2 | 6.3 | 0 | 0 | 0 | 116.6 | I1216 G1221 | I1216-N1219 PolarHBondContact O-N 3.21Å; N1219-G1221 PolarHBondContact O-N 3.22Å | ||
| 1220 | D | 24.2 | Very low | 28.1 | Very low | 171 Ų | 171 | 115.1 Ų | 115.1 | 91% | 0.914 | 65% | 0.648 | S | S | * | * | trans | -87.6 | 65.7 | 170.8 | -69.9 | -17.1 | 0 | 0 | 0 | 110.9 | ||||
| 1221 | G | 23.5 | Very low | 26.7 | Very low | 54 Ų | 54 | 120.6 Ų | 120.6 | 56% | 0.557 | 67% | 0.673 | S | S | * | * | trans | -128.8 | 118.6 | 158.3 | 0 | 0 | 0 | 0 | 0 | 106.7 | N1219 | N1219-G1221 PolarHBondContact O-N 3.22Š| ||
| 1222 | V | 23.3 | Very low | 25.5 | Very low | 140 Ų | 140 | 124 Ų | 124 | 85% | 0.848 | 70% | 0.699 | S | S | * | * | S | Bend | trans | 93.6 | 87.9 | -179.3 | -165.9 | 0 | 0 | 0 | 0 | 114.3 | ||
| 1223 | T | 24.9 | Very low | 25 | Very low | 137 Ų | 137 | 132 Ų | 132 | 84% | 0.84 | 72% | 0.722 | S | S | * | * | -174.6 | 116.4 | 123.5 | 27.9 | 0 | 0 | 0 | 0 | 110 | |||||
| 1224 | D | 25.1 | Very low | 24.7 | Very low | 149 Ų | 149 | 137.4 Ų | 137.4 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | trans | -63.3 | 147.5 | 171.6 | -70.6 | -48.2 | 0 | 0 | 0 | 112.4 | ||||
| 1225 | N | 23.8 | Very low | 24.3 | Very low | 148 Ų | 148 | 139.7 Ų | 139.7 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | trans | 61.7 | 90 | 147.4 | -63.7 | -22.6 | 0 | 0 | 0 | 119.8 | ||||
| 1226 | I | 28.6 | Very low | 24.2 | Very low | 174 Ų | 174 | 143.7 Ų | 143.7 | 89% | 0.892 | 78% | 0.779 | S | S | * | * | trans | -138.4 | 115.9 | 137.9 | -63.1 | 178.1 | 0 | 0 | 0 | 109.3 | ||||
| 1227 | N | 25 | Very low | 24.1 | Very low | 142 Ų | 142 | 141.8 Ų | 141.8 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | trans | -70.4 | 156.6 | 166.1 | -86.7 | -19.3 | 0 | 0 | 0 | 111.3 | ||||
| 1228 | D | 27.2 | Very low | 24 | Very low | 142 Ų | 142 | 143.1 Ų | 143.1 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | trans | 103.3 | 122.1 | 154.8 | -56.7 | -28.8 | 0 | 0 | 0 | 118.7 | ||||
| 1229 | N | 27.7 | Very low | 24 | Very low | 147 Ų | 147 | 140.3 Ų | 140.3 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | trans | 91.2 | 105.4 | 153.2 | -59.1 | -21.5 | 0 | 0 | 0 | 120 | ||||
| 1230 | E | 24.3 | Very low | 24.1 | Very low | 175 Ų | 175 | 141.6 Ų | 141.6 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | 35.9 | 105.4 | 131.4 | -56.8 | -159.6 | 157 | 0 | 0 | 118.5 | ||||
| 1231 | D | 26.2 | Very low | 24.1 | Very low | 133 Ų | 133 | 141 Ų | 141 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | 159.5 | 100.6 | 119 | -86.5 | -23.2 | 0 | 0 | 0 | 110.8 | R1233 | D1231-R1233 VanDerWaalsContact C-N 3.33Å; D1231-R1233 PolarHBondContact O-N 3.11Å | |||
| 1232 | S | 23.8 | Very low | 24.3 | Very low | 119 Ų | 119 | 145.7 Ų | 145.7 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | trans | 33.5 | 44.4 | 145.1 | 63.1 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1233 | R | 21.8 | Very low | 24.4 | Very low | 234 Ų | 234 | 147.7 Ų | 147.7 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | trans | -91.2 | 102.5 | 160.3 | -69.7 | -175.2 | -174.9 | 174.4 | 3.1 | 107.9 | D1231 S1235 | D1231-R1233 VanDerWaalsContact C-N 3.33Å; D1231-R1233 PolarHBondContact O-N 3.11Å; R1233-S1235 VanDerWaalsContact C-N 3.32Å; R1233-S1235 PolarHBondContact O-N 3.27Å | ||
| 1234 | L | 21.3 | Very low | 24.6 | Very low | 171 Ų | 171 | 145.6 Ų | 145.6 | 90% | 0.895 | 78% | 0.776 | S | S | * | * | trans | -48.3 | 91.4 | 173.1 | -78.5 | 152.7 | 0 | 0 | 0 | 110.6 | L1236 | L1234-L1236 PolarHBondContact O-N 3.39Š| ||
| 1235 | S | 20.2 | Very low | 24.8 | Very low | 101 Ų | 101 | 148 Ų | 148 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | trans | -73.9 | 101 | 168.9 | 57.3 | 0 | 0 | 0 | 0 | 108 | R1233 S1237 | R1233-S1235 VanDerWaalsContact C-N 3.32Å; R1233-S1235 PolarHBondContact O-N 3.27Å; S1235-S1237 PolarHBondContact O-N 3.04Å | ||
| 1236 | L | 21.6 | Very low | 25.1 | Very low | 149 Ų | 149 | 146.3 Ų | 146.3 | 78% | 0.78 | 78% | 0.777 | S | S | * | * | trans | -73.5 | 71.2 | 169.1 | -85 | 148 | 0 | 0 | 0 | 109.3 | L1234 | L1234-L1236 PolarHBondContact O-N 3.39Š| ||
| 1237 | S | 20.5 | Very low | 25.4 | Very low | 79 Ų | 79 | 143.4 Ų | 143.4 | 55% | 0.552 | 76% | 0.763 | S | S | * | * | trans | -78.4 | 128.5 | 164.1 | 52.8 | 0 | 0 | 0 | 0 | 109.1 | S1235 I1239 | S1235-S1237 PolarHBondContact O-N 3.04Å; S1237-I1239 PolarHBondContact O-N 3.43Å | ||
| 1238 | P | 25.4 | Very low | 25.8 | Very low | 117 Ų | 117 | 140.9 Ų | 140.9 | 76% | 0.76 | 76% | 0.755 | S | S | * | * | trans | -75 | 100.2 | 172.7 | 30.2 | -29.2 | 0 | 0 | 0 | 108.5 | L1240 | P1238-L1240 PolarHBondContact O-N 2.6Š| ||
| 1239 | I | 23.6 | Very low | 26 | Very low | 127 Ų | 127 | 137.9 Ų | 137.9 | 65% | 0.651 | 74% | 0.739 | S | S | * | * | trans | -70 | 105.1 | 165 | -65.3 | 171.1 | 0 | 0 | 0 | 106.3 | S1237 E1241 | S1237-I1239 PolarHBondContact O-N 3.43Å; I1239-E1241 HydrophobicContact CG2-CB 4.02Å; I1239-E1241 HydrophobicContact CG2-CG 3.62Å; I1239-E1241 PolarHBondContact O-N 3.45Å | ||
| 1240 | L | 24.2 | Very low | 26.1 | Very low | 165 Ų | 165 | 136 Ų | 136 | 86% | 0.864 | 73% | 0.725 | S | S | * | * | trans | -74.7 | 92.4 | 162.5 | -100.9 | 82.3 | 0 | 0 | 0 | 106.9 | P1238 | P1238-L1240 PolarHBondContact O-N 2.6Š| ||
| 1241 | E | 25.1 | Very low | 26.5 | Very low | 158 Ų | 158 | 131.2 Ų | 131.2 | 74% | 0.738 | 71% | 0.711 | S | S | * | * | trans | -120.8 | 107.1 | 165 | -81.8 | 179.7 | 179.6 | 0 | 0 | 108.8 | I1239 | I1239-E1241 HydrophobicContact CG2-CB 4.02Å; I1239-E1241 HydrophobicContact CG2-CG 3.62Å; I1239-E1241 PolarHBondContact O-N 3.45Å | ||
| 1242 | D | 26 | Very low | 26.7 | Very low | 153 Ų | 153 | 129.9 Ų | 129.9 | 82% | 0.818 | 70% | 0.703 | S | S | * | * | trans | 42 | 94 | 143.3 | -61.5 | -23.3 | 0 | 0 | 0 | 118.2 | ||||
| 1243 | M | 26 | Very low | 27 | Very low | 182 Ų | 182 | 128.7 Ų | 128.7 | 90% | 0.897 | 68% | 0.683 | S | S | * | * | trans | -145.5 | 146 | 144.2 | -84.2 | -52.9 | -90.2 | 0 | 0 | 112.5 | ||||
| 1244 | P | 29.7 | Very low | 27.4 | Very low | 93 Ų | 93 | 122.2 Ų | 122.2 | 60% | 0.604 | 66% | 0.659 | S | S | * | * | trans | -87.7 | 152.6 | -161.1 | 35.2 | -35.1 | 0 | 0 | 0 | 114.6 | V1246 | P1244-V1246 PolarHBondContact O-N 3.41Å; P1244-V1246 VanDerWaalsContact O-N 3.15Å | ||
| 1245 | E | 30 | Very low | 27.7 | Very low | 198 Ų | 198 | 120.1 Ų | 120.1 | 93% | 0.925 | 65% | 0.645 | S | S | * | * | trans | 57.4 | 26.6 | 149.5 | -64.5 | -175.8 | 177.2 | 0 | 0 | 119.8 | ||||
| 1246 | V | 28.9 | Very low | 28.1 | Very low | 114 Ų | 114 | 116.9 Ų | 116.9 | 69% | 0.691 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -91.3 | 113.3 | 156.7 | -175.4 | 0 | 0 | 0 | 0 | 108.1 | P1244 | P1244-V1246 PolarHBondContact O-N 3.41Å; P1244-V1246 VanDerWaalsContact O-N 3.15Å |
| 1247 | N | 35.8 | Very low | 28.7 | Very low | 112 Ų | 112 | 111.4 Ų | 111.4 | 60% | 0.599 | 59% | 0.593 | S | S | * | * | trans | -35.6 | 119.7 | -176.9 | -136.7 | -2.7 | 0 | 0 | 0 | 111.9 | D1249 H1250 | N1247-D1249 PolarHBondContact O-N 3.04Å; N1247-H1250 PolarHBondContact O-N 3.15Å; N1247-H1250 VanDerWaalsContact O-N 3.13Å | ||
| 1248 | P | 32.4 | Very low | 29.1 | Very low | 89 Ų | 89 | 112 Ų | 112 | 58% | 0.578 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.6 | -20.4 | -169.3 | 17.6 | -29.7 | 0 | 0 | 0 | 114.3 | H1250 S1251 | P1248-H1250 PolarHBondContact O-N 3.13Å; P1248-S1251 PolarHBondContact O-N 2.97Å; P1248-S1251 PolarHBondContact O-OG 3.14Å |
| 1249 | D | 31.9 | Very low | 29.3 | Very low | 79 Ų | 79 | 111.1 Ų | 111.1 | 42% | 0.422 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -60.4 | -27 | 177.9 | -63.9 | -18.1 | 0 | 0 | 0 | 113.8 | N1247 | N1247-D1249 PolarHBondContact O-N 3.04Å |
| 1250 | H | 30.5 | Very low | 29.6 | Very low | 108 Ų | 108 | 110.4 Ų | 110.4 | 50% | 0.5 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -81.2 | -24.3 | 178.8 | -91.1 | -74.8 | 0 | 0 | 0 | 114 | N1247 P1248 L1252 K1253 Y1254 | N1247-H1250 PolarHBondContact O-N 3.15Å; N1247-H1250 VanDerWaalsContact O-N 3.13Å; P1248-H1250 PolarHBondContact O-N 3.13Å; H1250-L1252 VanDerWaalsContact C-N 3.35Å; H1250-K1253 PolarHBondContact O-N 2.94Å; H1250-Y1254 WeakPolarHBondContact O-CD2 3.5Å |
| 1251 | S | 32.1 | Very low | 29.8 | Very low | 75 Ų | 75 | 105.7 Ų | 105.7 | 52% | 0.524 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -70.3 | -33.8 | 177.6 | 75.3 | 0 | 0 | 0 | 0 | 112 | P1248 K1253 Y1254 Q1255 | P1248-S1251 PolarHBondContact O-N 2.97Å; P1248-S1251 PolarHBondContact O-OG 3.14Å; S1251-K1253 VanDerWaalsContact C-N 3.28Å; S1251-K1253 PolarHBondContact O-N 3.36Å; S1251-Y1254 PolarHBondContact O-N 3.4Å; S1251-Q1255 PolarHBondContact O-N 2.7Å |
| 1252 | L | 30 | Very low | 29.8 | Very low | 104 Ų | 104 | 101.6 Ų | 101.6 | 55% | 0.545 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.3 | -32.1 | 176.2 | -72.9 | 165.7 | 0 | 0 | 0 | 112.2 | H1250 Y1254 Q1255 S1256 | H1250-L1252 VanDerWaalsContact C-N 3.35Å; L1252-Y1254 VanDerWaalsContact C-N 3.28Å; L1252-Y1254 PolarHBondContact O-N 3.48Å; L1252-Q1255 PolarHBondContact O-N 2.76Å; L1252-S1256 PolarHBondContact O-N 2.89Å; L1252-S1256 VanDerWaalsContact O-N 3.08Å; L1252-S1256 PolarHBondContact O-OG 2.94Å |
| 1253 | K | 29.2 | Very low | 29.9 | Very low | 94 Ų | 94 | 95.9 Ų | 95.9 | 41% | 0.409 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.5 | -26 | 175.8 | -86.6 | -176.4 | 174.1 | 178.9 | 0 | 114 | H1250 S1251 S1256 | H1250-K1253 PolarHBondContact O-N 2.94Å; S1251-K1253 VanDerWaalsContact C-N 3.28Å; S1251-K1253 PolarHBondContact O-N 3.36Å; K1253-S1256 WeakPolarHBondContact CA-OG 3.25Å; K1253-S1256 PolarHBondContact O-OG 3.26Å |
| 1254 | Y | 30.1 | Very low | 30.1 | Very low | 98 Ų | 98 | 92.1 Ų | 92.1 | 38% | 0.384 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -80.9 | -35.4 | 175.4 | -74.6 | -76.1 | 0 | 0 | 0 | 111.6 | H1250 S1251 L1252 S1256 I1257 C1293 | H1250-Y1254 WeakPolarHBondContact O-CD2 3.5Å; S1251-Y1254 PolarHBondContact O-N 3.4Å; L1252-Y1254 VanDerWaalsContact C-N 3.28Å; L1252-Y1254 PolarHBondContact O-N 3.48Å; Y1254-S1256 VanDerWaalsContact C-N 3.29Å; Y1254-S1256 PolarHBondContact O-N 2.78Å; Y1254-I1257 PolarHBondContact O-N 3.11Å; Y1254-C1293 HydrophobicContact CD1-CB 4.45Å; Y1254-C1293 VanDerWaalsContact CD1-SG 3.53Å |
| 1255 | Q | 28 | Very low | 30.4 | Very low | 128 Ų | 128 | 92.7 Ų | 92.7 | 60% | 0.598 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -63.1 | -35.7 | 171.8 | -82.8 | -176.3 | -18.3 | 0 | 0 | 111.9 | S1251 L1252 I1257 F1258 Q1259 | S1251-Q1255 PolarHBondContact O-N 2.7Å; L1252-Q1255 PolarHBondContact O-N 2.76Å; Q1255-I1257 VanDerWaalsContact C-N 3.29Å; Q1255-I1257 PolarHBondContact O-N 3.44Å; Q1255-F1258 PolarHBondContact O-N 3.08Å; Q1255-Q1259 WeakPolarHBondContact O-CG 3.37Å; Q1255-Q1259 PolarHBondContact O-N 2.66Å |
| 1256 | S | 28.6 | Very low | 31 | Very low | 32 Ų | 32 | 87.1 Ų | 87.1 | 22% | 0.224 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -69.3 | -20.1 | 179.8 | 57.5 | 0 | 0 | 0 | 0 | 114.6 | L1252 K1253 Y1254 Q1259 L1260 | L1252-S1256 PolarHBondContact O-N 2.89Å; L1252-S1256 VanDerWaalsContact O-N 3.08Å; L1252-S1256 PolarHBondContact O-OG 2.94Å; K1253-S1256 WeakPolarHBondContact CA-OG 3.25Å; K1253-S1256 PolarHBondContact O-OG 3.26Å; Y1254-S1256 VanDerWaalsContact C-N 3.29Å; Y1254-S1256 PolarHBondContact O-N 2.78Å; S1256-Q1259 VanDerWaalsContact C-N 3.35Å; S1256-Q1259 CarbonylContact O-C 3.33Å; S1256-Q1259 VanDerWaalsContact O-CA 3.22Å; S1256-Q1259 WeakPolarHBondContact O-CA 3.44Å; S1256-Q1259 WeakPolarHBondContact O-CB 3.36Å; S1256-Q1259 PolarHBondContact O-N 2.85Å; S1256-L1260 PolarHBondContact O-N 2.68Å |
| 1257 | I | 34.2 | Very low | 32 | Very low | 35 Ų | 35 | 82.6 Ų | 82.6 | 18% | 0.179 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -74.9 | -38.9 | 173.2 | -63.2 | 166.5 | 0 | 0 | 0 | 110.7 | Y1254 Q1255 Q1259 L1260 L1289 N1404 | Y1254-I1257 PolarHBondContact O-N 3.11Å; Q1255-I1257 VanDerWaalsContact C-N 3.29Å; Q1255-I1257 PolarHBondContact O-N 3.44Å; I1257-Q1259 PolarHBondContact O-N 2.91Å; I1257-L1260 PolarHBondContact O-N 3.3Å; I1257-L1289 HydrophobicContact CG2-CD1 4.46Å; I1257-N1404 WeakPolarHBondContact CD1-ND2 3.42Å |
| 1258 | F | 30.4 | Very low | 33.4 | Very low | 92 Ų | 92 | 81.4 Ų | 81.4 | 40% | 0.404 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -65.6 | -17.6 | 165.3 | -72 | -77.6 | 0 | 0 | 0 | 111.4 | Q1255 L1260 N1261 L1290 | Q1255-F1258 PolarHBondContact O-N 3.08Å; F1258-L1260 VanDerWaalsContact C-N 3.3Å; F1258-L1260 PolarHBondContact O-N 3.22Å; F1258-N1261 PolarHBondContact O-N 2.82Å; F1258-L1290 HydrophobicContact CZ-CD2 4.28Å |
| 1259 | Q | 28.6 | Very low | 35.5 | Very low | 98 Ų | 98 | 77.3 Ų | 77.3 | 46% | 0.458 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -9.7 | 169.1 | -61.6 | -177.7 | -13.4 | 0 | 0 | 116.6 | Q1255 S1256 I1257 N1261 H1262 V1263 | Q1255-Q1259 WeakPolarHBondContact O-CG 3.37Å; Q1255-Q1259 PolarHBondContact O-N 2.66Å; S1256-Q1259 VanDerWaalsContact C-N 3.35Å; S1256-Q1259 CarbonylContact O-C 3.33Å; S1256-Q1259 VanDerWaalsContact O-CA 3.22Å; S1256-Q1259 WeakPolarHBondContact O-CA 3.44Å; S1256-Q1259 WeakPolarHBondContact O-CB 3.36Å; S1256-Q1259 PolarHBondContact O-N 2.85Å; I1257-Q1259 PolarHBondContact O-N 2.91Å; Q1259-N1261 PolarHBondContact O-N 3.41Å; Q1259-H1262 HydrophobicContact CB-CB 3.6Å; Q1259-H1262 HydrophobicContact CG-CB 3.6Å; Q1259-H1262 CarbonylContact O-C 3.39Å; Q1259-H1262 WeakPolarHBondContact O-CA 3.21Å; Q1259-H1262 WeakPolarHBondContact O-CB 3.22Å; Q1259-H1262 PolarHBondContact O-N 3.46Å; Q1259-V1263 PolarHBondContact O-N 3.04Å |
| 1260 | L | 30 | Very low | 37.7 | Very low | 111 Ų | 111 | 74 Ų | 74 | 58% | 0.581 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -27.8 | 167.6 | -115 | 95.1 | 0 | 0 | 0 | 111.8 | S1256 I1257 F1258 | S1256-L1260 PolarHBondContact O-N 2.68Å; I1257-L1260 PolarHBondContact O-N 3.3Å; F1258-L1260 VanDerWaalsContact C-N 3.3Å; F1258-L1260 PolarHBondContact O-N 3.22Å |
| 1261 | N | 28.9 | Very low | 40 | Very low | 66 Ų | 66 | 69.3 Ų | 69.3 | 35% | 0.353 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -15.5 | 168.5 | -74.6 | -10.7 | 0 | 0 | 0 | 113.5 | G1210 F1258 Q1259 V1263 R1268 | G1210-N1261 PolarHBondContact O-ND2 3.07Å; F1258-N1261 PolarHBondContact O-N 2.82Å; Q1259-N1261 PolarHBondContact O-N 3.41Å; N1261-V1263 PolarHBondContact O-N 2.99Å; N1261-R1268 PolarHBondContact O-NH2 2.94Å |
| 1262 | H | 25 | Very low | 42.2 | Very low | 72 Ų | 72 | 67.1 Ų | 67.1 | 33% | 0.333 | 34% | 0.335 | S | S | . | . | trans | -82.3 | 9.3 | 177.1 | -145.6 | -45.1 | 0 | 0 | 0 | 112.7 | R1218 Q1259 I1264 | R1218-H1262 PolarHBondContact NH2-CE1 3.45Å; R1218-H1262 PolarHBondContact NH2-NE2 3.2Å; Q1259-H1262 HydrophobicContact CB-CB 3.6Å; Q1259-H1262 HydrophobicContact CG-CB 3.6Å; Q1259-H1262 CarbonylContact O-C 3.39Å; Q1259-H1262 WeakPolarHBondContact O-CA 3.21Å; Q1259-H1262 WeakPolarHBondContact O-CB 3.22Å; Q1259-H1262 PolarHBondContact O-N 3.46Å; H1262-I1264 PolarHBondContact O-N 3.35Å | ||
| 1263 | V | 28.2 | Very low | 44.5 | Very low | 33 Ų | 33 | 64.9 Ų | 64.9 | 20% | 0.2 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | 49.7 | 154.4 | -165.6 | 0 | 0 | 0 | 0 | 110.5 | I499 Q1259 N1261 S1265 K1266 R1268 | I499-V1263 HydrophobicContact CD1-CG1 3.63Å; I499-V1263 HydrophobicContact CG1-CG1 4.22Å; I499-V1263 HydrophobicContact CG2-CG1 4.26Å; Q1259-V1263 PolarHBondContact O-N 3.04Å; N1261-V1263 PolarHBondContact O-N 2.99Å; V1263-S1265 VanDerWaalsContact C-N 3.32Å; V1263-K1266 HydrophobicContact CG1-CB 3.53Å; V1263-K1266 HydrophobicContact CG1-CD 4.34Å; V1263-K1266 HydrophobicContact CG1-CG 4.08Å; V1263-R1268 PolarHBondContact O-NE 3.47Å |
| 1264 | I | 29.8 | Very low | 46.8 | Very low | 103 Ų | 103 | 61.7 Ų | 61.7 | 53% | 0.528 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -13.9 | 168.4 | -61.9 | 176.3 | 0 | 0 | 0 | 109.4 | H1262 | H1262-I1264 PolarHBondContact O-N 3.35Š|
| 1265 | S | 35.5 | Very low | 49.1 | Very low | 106 Ų | 106 | 57.3 Ų | 57.3 | 74% | 0.741 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -90.2 | -27.8 | 175.1 | 57.1 | 0 | 0 | 0 | 0 | 114.7 | V1263 | V1263-S1265 VanDerWaalsContact C-N 3.32Š|
| 1266 | K | 43.7 | Very low | 51.4 | Low | 81 Ų | 81 | 53.8 Ų | 53.8 | 35% | 0.352 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -81.3 | 141.6 | 173.6 | -68.4 | -170.8 | 173.4 | -175.5 | 0 | 110.9 | I499 V1263 R1268 | I499-K1266 HydrophobicContact CG1-CB 4.42Å; I499-K1266 HydrophobicContact CG1-CD 4.3Å; I499-K1266 HydrophobicContact CG2-CD 4.24Å; V1263-K1266 HydrophobicContact CG1-CB 3.53Å; V1263-K1266 HydrophobicContact CG1-CD 4.34Å; V1263-K1266 HydrophobicContact CG1-CG 4.08Å; K1266-R1268 PolarHBondContact O-N 2.93Å; K1266-R1268 VanDerWaalsContact O-N 3.12Å |
| 1267 | P | 50 | Low | 53.4 | Low | 18 Ų | 18 | 55 Ų | 55 | 12% | 0.117 | 28% | 0.28 | C | S | . | . | trans | -72.4 | 111.2 | -178 | 29.9 | -35.1 | 0 | 0 | 0 | 111.5 | A496 S575 | A496-P1267 HydrophobicContact CB-CG 4.1Å; S575-P1267 VanDerWaalsContact CB-CG 3.45Å | ||
| 1268 | R | 63.7 | Low | 55.2 | Low | 88 Ų | 88 | 55.4 Ų | 55.4 | 33% | 0.332 | 28% | 0.282 | S | S | . | . | trans | -72.7 | 134.8 | -179.8 | -51.3 | 176 | -178.7 | -176.7 | -4.4 | 111.3 | K1158 N1261 V1263 K1266 D1272 | K1158-R1268 HydrophobicContact CD-CB 3.34Å; K1158-R1268 HydrophobicContact CD-CG 4.4Å; N1261-R1268 PolarHBondContact O-NH2 2.94Å; V1263-R1268 PolarHBondContact O-NE 3.47Å; K1266-R1268 PolarHBondContact O-N 2.93Å; K1266-R1268 VanDerWaalsContact O-N 3.12Å; R1268-D1272 WeakPolarHBondContact CA-OD2 3.47Å; R1268-D1272 WeakPolarHBondContact CB-OD2 3.42Å | ||
| 1269 | S | 77.9 | Confident | 57.8 | Low | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.021 | 26% | 0.263 | C | S | . | . | trans | -114.9 | 168.3 | -163.6 | -179.5 | 0 | 0 | 0 | 0 | 112.3 | F494 A496 C1271 D1272 | F494-S1269 WeakPolarHBondContact O-CA 3.4Å; F494-S1269 PolarHBondContact O-OG 3.11Å; A496-S1269 PolarHBondContact N-OG 3.5Å; A496-S1269 VanDerWaalsContact N-OG 3.1Å; A496-S1269 VanDerWaalsContact O-CB 3.26Å; A496-S1269 WeakPolarHBondContact O-CB 3.26Å; A496-S1269 PolarHBondContact O-OG 2.95Å; S1269-C1271 PolarHBondContact O-N 2.91Å; S1269-C1271 PolarHBondContact OG-N 2.83Å; S1269-C1271 PolarHBondContact OG-SG 3.46Å; S1269-C1271 VanDerWaalsContact OG-SG 3.4Å; S1269-D1272 PolarHBondContact N-OD2 2.82Å; S1269-D1272 WeakPolarHBondContact O-CB 3.49Å; S1269-D1272 PolarHBondContact O-N 3.28Å | ||
| 1270 | V | 77.8 | Confident | 60.6 | Low | 8 Ų | 8 | 46.4 Ų | 46.4 | 5% | 0.048 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -22.6 | 165.6 | 178.3 | 0 | 0 | 0 | 0 | 112.2 | L493 F494 H1093 R1157 D1272 | L493-V1270 HydrophobicContact CB-CG2 3.83Å; L493-V1270 HydrophobicContact CD1-CG2 3.95Å; L493-V1270 HydrophobicContact CD2-CG2 3.61Å; L493-V1270 HydrophobicContact CG-CG2 3.99Å; F494-V1270 WeakPolarHBondContact O-CG2 3.36Å; F494-V1270 PolarHBondContact O-N 3.28Å; H1093-V1270 HydrophobicContact CB-CG1 4.44Å; R1157-V1270 HydrophobicContact CB-CG1 4.34Å; R1157-V1270 VanDerWaalsContact CD-O 3.3Å; R1157-V1270 WeakPolarHBondContact CD-O 3.12Å; R1157-V1270 HydrophobicContact CG-CG1 4.38Å; R1157-V1270 WeakPolarHBondContact CG-O 3.45Å; V1270-D1272 PolarHBondContact O-N 3.29Å |
| 1271 | C | 79.1 | Confident | 63.2 | Low | 10 Ų | 10 | 41.3 Ų | 41.3 | 7% | 0.068 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -27.6 | 173 | -54.6 | 0 | 0 | 0 | 0 | 112.1 | A496 P498 P954 H1093 R1157 S1269 R1273 | A496-C1271 PolarHBondContact O-SG 3.18Å; A496-C1271 VanDerWaalsContact O-SG 3.36Å; P498-C1271 HydrophobicContact CB-CB 4.32Å; P954-C1271 WeakPolarHBondContact CB-SG 3.38Å; H1093-C1271 VanDerWaalsContact CD2-SG 3.6Å; R1157-C1271 PolarHBondContact NH1-O 3.41Å; S1269-C1271 PolarHBondContact O-N 2.91Å; S1269-C1271 PolarHBondContact OG-N 2.83Å; S1269-C1271 PolarHBondContact OG-SG 3.46Å; S1269-C1271 VanDerWaalsContact OG-SG 3.4Å; C1271-R1273 PolarHBondContact O-N 3.05Å |
| 1272 | D | 78.1 | Confident | 65.9 | Low | 30 Ų | 30 | 40.5 Ų | 40.5 | 16% | 0.16 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -78.2 | 120.7 | -176.7 | -58.2 | -30.9 | 0 | 0 | 0 | 110.6 | K1158 R1268 S1269 V1270 | K1158-D1272 PolarHBondContact N-O 3.23Å; K1158-D1272 VanDerWaalsContact N-O 3.15Å; R1268-D1272 WeakPolarHBondContact CA-OD2 3.47Å; R1268-D1272 WeakPolarHBondContact CB-OD2 3.42Å; S1269-D1272 PolarHBondContact N-OD2 2.82Å; S1269-D1272 WeakPolarHBondContact O-CB 3.49Å; S1269-D1272 PolarHBondContact O-N 3.28Å; V1270-D1272 PolarHBondContact O-N 3.29Å |
| 1273 | R | 78.3 | Confident | 68.8 | Low | 57 Ų | 57 | 37.2 Ų | 37.2 | 22% | 0.215 | 19% | 0.194 | C | C | . | . | B | Isolated β-bridge | trans | -72.9 | 139.9 | 170.8 | -62.6 | -175.6 | -172.6 | 121.9 | 11.1 | 109.5 | D1088 E1091 P1154 C1271 I1275 K1277 | D1088-R1273 IonicContact OD1-CZ 3.16Å; D1088-R1273 IonicContact OD1-NH1 3.59Å; D1088-R1273 IonicContact OD1-NH2 3.8Å; D1088-R1273 PolarHBondContact OD1-NH2 3.26Å; D1088-R1273 IonicContact OD2-CZ 3.96Å; D1088-R1273 IonicContact OD2-NH1 3.83Å; D1088-R1273 PolarHBondContact OD2-NH1 3.4Å; D1088-R1273 IonicContact OD2-NH2 3.4Å; D1088-R1273 PolarHBondContact OD2-NH2 3.18Å; D1088-R1273 VanDerWaalsContact OD2-NH2 3.16Å; E1091-R1273 IonicContact OE1-CZ 3.42Å; E1091-R1273 IonicContact OE1-NH2 3.64Å; E1091-R1273 PolarHBondContact OE1-NH2 2.93Å; E1091-R1273 IonicContact OE2-CZ 2.64Å; E1091-R1273 IonicContact OE2-NE 3.47Å; E1091-R1273 IonicContact OE2-NH2 3.67Å; E1091-R1273 PolarHBondContact OE2-NH2 2.94Å; P1154-R1273 WeakPolarHBondContact O-CD 3.29Å; C1271-R1273 PolarHBondContact O-N 3.05Å; R1273-I1275 VanDerWaalsContact C-N 3.26Å; R1273-I1275 WeakPolarHBondContact CB-O 3.4Å; R1273-K1277 VanDerWaalsContact NH1-CE 3.3Å; R1273-K1277 VanDerWaalsContact NH2-CE 3.33Å |
| 1274 | L | 77.5 | Confident | 71.5 | Confident | 26 Ų | 26 | 35.9 Ų | 35.9 | 14% | 0.136 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -71.6 | -26.6 | 172.7 | -72.3 | 178.5 | 0 | 0 | 0 | 112.6 | L1156 R1157 K1158 Q1160 E1161 R1164 | L1156-L1274 HydrophobicContact CB-CD1 4.28Å; L1156-L1274 PolarHBondContact O-N 2.98Å; R1157-L1274 WeakPolarHBondContact O-CD1 3.24Å; R1157-L1274 WeakPolarHBondContact O-CG 3.17Å; K1158-L1274 HydrophobicContact CB-CD2 4.46Å; Q1160-L1274 HydrophobicContact CB-CD1 4.05Å; E1161-L1274 HydrophobicContact CG-CD1 4.28Å; E1161-L1274 HydrophobicContact CG-CD2 3.82Å; R1164-L1274 HydrophobicContact CB-CD1 4.16Å |
| 1275 | I | 78.9 | Confident | 74 | Confident | 6 Ų | 6 | 31.8 Ų | 31.8 | 3% | 0.031 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -134.7 | 134.3 | -172.9 | -67.4 | 177.5 | 0 | 0 | 0 | 108.6 | L1153 R1164 I1168 L1207 R1273 W1279 | L1153-I1275 HydrophobicContact CD1-CD1 3.34Å; L1153-I1275 HydrophobicContact CD2-CD1 3.99Å; L1153-I1275 HydrophobicContact CG-CD1 3.44Å; L1153-I1275 VanDerWaalsContact CG-CD1 3.44Å; L1153-I1275 HydrophobicContact CG-CG2 4.5Å; R1164-I1275 HydrophobicContact CG-CD1 3.56Å; R1164-I1275 HydrophobicContact CG-CG1 4.28Å; I1168-I1275 HydrophobicContact CD1-CD1 4.25Å; L1207-I1275 HydrophobicContact CD2-CG2 4.37Å; R1273-I1275 VanDerWaalsContact C-N 3.26Å; R1273-I1275 WeakPolarHBondContact CB-O 3.4Å; I1275-W1279 HydrophobicContact CG2-CB 3.33Å; I1275-W1279 HydrophobicContact CG2-CG 3.78Å |
| 1276 | S | 76.2 | Confident | 76.1 | Confident | 55 Ų | 55 | 29 Ų | 29 | 39% | 0.385 | 14% | 0.14 | S | C | . | . | trans | -66.2 | 150.5 | 174.9 | 176.2 | 0 | 0 | 0 | 0 | 111.3 | E1278 W1279 | S1276-E1278 PolarHBondContact O-N 3.3Å; S1276-E1278 VanDerWaalsContact O-N 3.15Å; S1276-E1278 PolarHBondContact OG-N 3.25Å; S1276-W1279 VanDerWaalsContact O-CB 3.32Å; S1276-W1279 WeakPolarHBondContact O-CB 3.29Å; S1276-W1279 PolarHBondContact O-N 3.03Å; S1276-W1279 VanDerWaalsContact O-N 3.09Å | ||
| 1277 | K | 70.3 | Confident | 77.7 | Confident | 56 Ų | 56 | 26 Ų | 26 | 24% | 0.243 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -27.2 | 170.9 | -73.1 | 176.7 | 172.4 | 162.5 | 0 | 111.7 | D1088 E1091 R1273 W1279 | D1088-K1277 IonicContact OD1-NZ 3.73Å; D1088-K1277 PolarHBondContact OD1-NZ 3.47Å; E1091-K1277 IonicContact OE1-NZ 2.95Å; E1091-K1277 PolarHBondContact OE1-NZ 3.47Å; R1273-K1277 VanDerWaalsContact NH1-CE 3.3Å; R1273-K1277 VanDerWaalsContact NH2-CE 3.33Å; K1277-W1279 VanDerWaalsContact C-N 3.31Å; K1277-W1279 PolarHBondContact O-N 3.09Å |
| 1278 | E | 72 | Confident | 79.1 | Confident | 45 Ų | 45 | 25.3 Ų | 25.3 | 21% | 0.21 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | 20.1 | 179.8 | -54.7 | -172.9 | -164 | 0 | 0 | 113.6 | S1276 V1280 Y1281 M1282 I1285 R1347 | S1276-E1278 PolarHBondContact O-N 3.3Å; S1276-E1278 VanDerWaalsContact O-N 3.15Å; S1276-E1278 PolarHBondContact OG-N 3.25Å; E1278-V1280 PolarHBondContact O-N 3.18Å; E1278-Y1281 PolarHBondContact O-N 3.06Å; E1278-M1282 HydrophobicContact CB-CE 4.13Å; E1278-M1282 PolarHBondContact O-N 3.46Å; E1278-I1285 HydrophobicContact CB-CD1 4.31Å; E1278-I1285 WeakPolarHBondContact OE2-CD1 3.23Å; E1278-R1347 VanDerWaalsContact CD-NH2 3.29Å; E1278-R1347 IonicContact OE1-CZ 3.73Å; E1278-R1347 IonicContact OE1-NE 3.56Å; E1278-R1347 IonicContact OE1-NH2 2.83Å; E1278-R1347 PolarHBondContact OE1-NH2 3.14Å; E1278-R1347 IonicContact OE2-CZ 2.8Å; E1278-R1347 IonicContact OE2-NE 2.77Å; E1278-R1347 PolarHBondContact OE2-NE 3.01Å; E1278-R1347 IonicContact OE2-NH2 3.68Å; E1278-R1347 PolarHBondContact OE2-NH2 2.92Å |
| 1279 | W | 84.4 | Confident | 79.6 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.12 | C | C | . | . | G | 310 helix | trans | -52.8 | -32.9 | -174.9 | 69.8 | -91 | 0 | 0 | 0 | 114.1 | L1150 L1153 Y1203 L1207 I1275 S1276 K1277 Y1281 M1282 W1317 L1321 | L1150-W1279 HydrophobicContact CD2-CH2 3.66Å; L1150-W1279 HydrophobicContact CD2-CZ2 3.87Å; L1153-W1279 HydrophobicContact CD2-CD2 3.85Å; L1153-W1279 HydrophobicContact CD2-CE3 4.1Å; L1153-W1279 HydrophobicContact CD2-CG 4.39Å; L1153-W1279 HydrophobicContact CD2-CH2 4.17Å; L1153-W1279 HydrophobicContact CD2-CZ2 3.95Å; L1153-W1279 HydrophobicContact CD2-CZ3 4.25Å; Y1203-W1279 HydrophobicContact CD1-CE3 4.19Å; Y1203-W1279 HydrophobicContact CD1-CZ3 4.25Å; Y1203-W1279 HydrophobicContact CE1-CE3 4.14Å; Y1203-W1279 HydrophobicContact CE1-CZ3 4.21Å; L1207-W1279 HydrophobicContact CD1-CE3 3.87Å; L1207-W1279 HydrophobicContact CD1-CZ3 4.46Å; L1207-W1279 HydrophobicContact CD2-CB 3.8Å; I1275-W1279 HydrophobicContact CG2-CB 3.33Å; I1275-W1279 HydrophobicContact CG2-CG 3.78Å; S1276-W1279 VanDerWaalsContact O-CB 3.32Å; S1276-W1279 WeakPolarHBondContact O-CB 3.29Å; S1276-W1279 PolarHBondContact O-N 3.03Å; S1276-W1279 VanDerWaalsContact O-N 3.09Å; K1277-W1279 VanDerWaalsContact C-N 3.31Å; K1277-W1279 PolarHBondContact O-N 3.09Å; W1279-Y1281 PolarHBondContact O-N 3.49Å; W1279-M1282 WeakPolarHBondContact O-CB 3.33Å; W1279-M1282 PolarHBondContact O-N 3.37Å; W1279-W1317 AromaticContact CH2-NE1 3.87Å; W1279-W1317 AromaticContact CZ3-NE1 3.82Å; W1279-L1321 HydrophobicContact CH2-CD1 4.42Å |
| 1280 | V | 86.7 | Confident | 79.5 | Confident | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.006 | 13% | 0.13 | C | C | . | . | G | 310 helix | trans | -57.5 | -38.2 | 177 | 177.3 | 0 | 0 | 0 | 0 | 111.2 | Y1203 E1278 I1318 L1321 F1338 | Y1203-V1280 PolarHBondContact OH-O 2.94Å; E1278-V1280 PolarHBondContact O-N 3.18Å; V1280-I1318 HydrophobicContact CG1-CG1 3.85Å; V1280-L1321 HydrophobicContact CB-CD1 4.45Å; V1280-L1321 HydrophobicContact CG1-CD1 3.77Å; V1280-L1321 HydrophobicContact CG2-CD1 3.8Å; V1280-F1338 HydrophobicContact CG2-CD2 3.73Å; V1280-F1338 HydrophobicContact CG2-CE2 4.11Å; V1280-F1338 HydrophobicContact CG2-CG 4.49Å |
| 1281 | Y | 86.2 | Confident | 79.3 | Confident | 4 Ų | 4 | 26.3 Ų | 26.3 | 2% | 0.016 | 14% | 0.138 | C | C | . | . | G | 310 helix | trans | -98.3 | 0.5 | -175.9 | -59.9 | -62.9 | 0 | 0 | 0 | 114.2 | E1278 W1279 P1283 F1284 I1285 I1318 M1339 S1344 R1347 | E1278-Y1281 PolarHBondContact O-N 3.06Å; W1279-Y1281 PolarHBondContact O-N 3.49Å; Y1281-P1283 VanDerWaalsContact C-CD 3.41Å; Y1281-P1283 VanDerWaalsContact C-N 3.32Å; Y1281-F1284 WeakPolarHBondContact O-CB 3.37Å; Y1281-F1284 PolarHBondContact O-N 2.91Å; Y1281-I1285 PolarHBondContact O-N 3.18Å; Y1281-I1285 VanDerWaalsContact O-N 3.09Å; Y1281-I1318 HydrophobicContact CD1-CD1 3.78Å; Y1281-I1318 HydrophobicContact CD1-CG1 4.43Å; Y1281-I1318 HydrophobicContact CE1-CD1 3.79Å; Y1281-I1318 HydrophobicContact CE1-CG1 4.17Å; Y1281-I1318 HydrophobicContact CE1-CG2 4.27Å; Y1281-M1339 HydrophobicContact CE1-CE 4.5Å; Y1281-M1339 WeakPolarHBondContact OH-CE 3.32Å; Y1281-S1344 WeakPolarHBondContact OH-CB 3.03Å; Y1281-S1344 PolarHBondContact OH-OG 2.99Å; Y1281-R1347 HydrophobicContact CD1-CB 3.79Å; Y1281-R1347 HydrophobicContact CD1-CG 4.47Å; Y1281-R1347 HydrophobicContact CD2-CB 4.13Å; Y1281-R1347 HydrophobicContact CD2-CG 3.98Å; Y1281-R1347 HydrophobicContact CE1-CB 4.44Å; Y1281-R1347 HydrophobicContact CG-CB 3.61Å; Y1281-R1347 HydrophobicContact CG-CG 3.79Å |
| 1282 | M | 84 | Confident | 78.9 | Confident | 48 Ų | 48 | 29.7 Ų | 29.7 | 24% | 0.236 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -51.8 | -41.6 | -179.2 | -78.7 | -71.1 | 140 | 0 | 0 | 114.2 | E1278 W1279 F1284 I1285 H1286 | E1278-M1282 HydrophobicContact CB-CE 4.13Å; E1278-M1282 PolarHBondContact O-N 3.46Å; W1279-M1282 WeakPolarHBondContact O-CB 3.33Å; W1279-M1282 PolarHBondContact O-N 3.37Å; M1282-F1284 PolarHBondContact O-N 3.46Å; M1282-I1285 HydrophobicContact CE-CD1 3.86Å; M1282-I1285 PolarHBondContact O-N 2.91Å; M1282-H1286 WeakPolarHBondContact O-CB 3.49Å; M1282-H1286 PolarHBondContact O-N 3.23Å |
| 1283 | P | 86.1 | Confident | 78.3 | Confident | 4 Ų | 4 | 30.4 Ų | 30.4 | 3% | 0.026 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -56.3 | -37.1 | 175.8 | -23.9 | 31.2 | 0 | 0 | 0 | 113.6 | L1202 Y1203 E1206 Y1281 A1287 C1314 | L1202-P1283 HydrophobicContact CD1-CB 4.38Å; L1202-P1283 HydrophobicContact CD2-CB 4.23Å; L1202-P1283 HydrophobicContact CD2-CG 4.14Å; L1202-P1283 HydrophobicContact CG-CB 4.49Å; L1202-P1283 HydrophobicContact CG-CG 4.25Å; Y1203-P1283 HydrophobicContact CD1-CG 4.47Å; Y1203-P1283 HydrophobicContact CE1-CG 3.9Å; Y1203-P1283 HydrophobicContact CE2-CG 4.47Å; E1206-P1283 HydrophobicContact CG-CG 4.11Å; Y1281-P1283 VanDerWaalsContact C-CD 3.41Å; Y1281-P1283 VanDerWaalsContact C-N 3.32Å; P1283-A1287 WeakPolarHBondContact O-CB 3.41Å; P1283-A1287 PolarHBondContact O-N 3.3Å; P1283-C1314 HydrophobicContact CB-CB 4.13Å; P1283-C1314 HydrophobicContact CG-CB 4.4Å |
| 1284 | F | 86.3 | Confident | 77.4 | Confident | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.018 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -76.2 | -40.4 | 178.5 | -78.6 | -3.8 | 0 | 0 | 0 | 112.7 | Y1281 M1282 Y1288 C1314 L1315 I1318 L1348 L1361 | Y1281-F1284 WeakPolarHBondContact O-CB 3.37Å; Y1281-F1284 PolarHBondContact O-N 2.91Å; M1282-F1284 PolarHBondContact O-N 3.46Å; F1284-Y1288 VanDerWaalsContact O-CB 3.29Å; F1284-Y1288 WeakPolarHBondContact O-CB 3.4Å; F1284-Y1288 PolarHBondContact O-N 3.37Å; F1284-C1314 HydrophobicContact CD1-CB 4.34Å; F1284-C1314 HydrophobicContact CE1-CB 3.98Å; F1284-C1314 HydrophobicContact CZ-CB 4.49Å; F1284-L1315 HydrophobicContact CE2-CD2 3.95Å; F1284-L1315 HydrophobicContact CE2-CG 4.48Å; F1284-L1315 HydrophobicContact CZ-CD1 4.42Å; F1284-L1315 HydrophobicContact CZ-CD2 3.72Å; F1284-L1315 HydrophobicContact CZ-CG 3.77Å; F1284-I1318 HydrophobicContact CE2-CD1 4.38Å; F1284-L1348 HydrophobicContact CD2-CD2 4.39Å; F1284-L1348 HydrophobicContact CE2-CD2 3.77Å; F1284-L1361 HydrophobicContact CZ-CD1 4.32Å |
| 1285 | I | 81.1 | Confident | 76.3 | Confident | 17 Ų | 17 | 40.3 Ų | 40.3 | 9% | 0.087 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.7 | -46.4 | 176.5 | -63.4 | 164.8 | 0 | 0 | 0 | 109.9 | E1278 Y1281 M1282 Y1288 L1289 R1347 L1350 P1402 | E1278-I1285 HydrophobicContact CB-CD1 4.31Å; E1278-I1285 WeakPolarHBondContact OE2-CD1 3.23Å; Y1281-I1285 PolarHBondContact O-N 3.18Å; Y1281-I1285 VanDerWaalsContact O-N 3.09Å; M1282-I1285 HydrophobicContact CE-CD1 3.86Å; M1282-I1285 PolarHBondContact O-N 2.91Å; I1285-Y1288 WeakPolarHBondContact O-CB 3.45Å; I1285-Y1288 PolarHBondContact O-N 3Å; I1285-L1289 HydrophobicContact CG2-CD1 4.25Å; I1285-L1289 WeakPolarHBondContact O-CG 3.2Å; I1285-L1289 PolarHBondContact O-N 3.36Å; I1285-R1347 HydrophobicContact CD1-CG 4.32Å; I1285-R1347 HydrophobicContact CG1-CG 4.39Å; I1285-L1350 HydrophobicContact CG1-CD1 4.5Å; I1285-P1402 HydrophobicContact CG2-CG 4.26Å |
| 1286 | H | 78.8 | Confident | 75 | Confident | 49 Ų | 49 | 41.9 Ų | 41.9 | 23% | 0.227 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.9 | -43.9 | 179.7 | -169.8 | -178.8 | 0 | 0 | 0 | 112.1 | E1206 M1282 Y1288 L1289 L1290 | E1206-H1286 IonicContact OE1-ND1 3.87Å; E1206-H1286 IonicContact OE2-CE1 2.82Å; E1206-H1286 IonicContact OE2-CG 2.85Å; E1206-H1286 IonicContact OE2-ND1 2.62Å; E1206-H1286 PolarHBondContact OE2-ND1 2.65Å; M1282-H1286 WeakPolarHBondContact O-CB 3.49Å; M1282-H1286 PolarHBondContact O-N 3.23Å; H1286-Y1288 PolarHBondContact O-N 2.96Å; H1286-L1289 PolarHBondContact O-N 2.88Å; H1286-L1290 WeakPolarHBondContact O-CB 3.3Å; H1286-L1290 WeakPolarHBondContact O-CG 3.3Å; H1286-L1290 PolarHBondContact O-N 3.33Å |
| 1287 | A | 78.9 | Confident | 73.9 | Confident | 18 Ų | 18 | 44.9 Ų | 44.9 | 15% | 0.149 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -55.9 | -42.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | P1283 L1290 S1291 | P1283-A1287 WeakPolarHBondContact O-CB 3.41Å; P1283-A1287 PolarHBondContact O-N 3.3Å; A1287-L1290 PolarHBondContact O-N 3.47Å; A1287-S1291 PolarHBondContact O-N 3.22Å |
| 1288 | Y | 77.9 | Confident | 73.1 | Confident | 3 Ų | 3 | 48.1 Ų | 48.1 | 1% | 0.012 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.6 | -51.2 | 175.4 | -178.4 | -100.5 | 0 | 0 | 0 | 112.7 | F1284 I1285 H1286 L1290 S1291 K1292 L1350 I1353 F1405 L1411 | F1284-Y1288 VanDerWaalsContact O-CB 3.29Å; F1284-Y1288 WeakPolarHBondContact O-CB 3.4Å; F1284-Y1288 PolarHBondContact O-N 3.37Å; I1285-Y1288 WeakPolarHBondContact O-CB 3.45Å; I1285-Y1288 PolarHBondContact O-N 3Å; H1286-Y1288 PolarHBondContact O-N 2.96Å; Y1288-L1290 VanDerWaalsContact C-N 3.27Å; Y1288-L1290 PolarHBondContact O-N 3.2Å; Y1288-S1291 WeakPolarHBondContact O-CB 3.45Å; Y1288-S1291 PolarHBondContact O-N 3.05Å; Y1288-S1291 VanDerWaalsContact O-N 3.08Å; Y1288-S1291 PolarHBondContact O-OG 2.68Å; Y1288-K1292 HydrophobicContact CE1-CG 4.14Å; Y1288-K1292 HydrophobicContact CE2-CG 4.46Å; Y1288-K1292 VanDerWaalsContact CZ-CE 3.45Å; Y1288-K1292 PolarHBondContact O-N 3.46Å; Y1288-K1292 VanDerWaalsContact O-N 3.14Å; Y1288-K1292 WeakPolarHBondContact OH-CE 3.49Å; Y1288-L1350 HydrophobicContact CD1-CD2 3.5Å; Y1288-L1350 HydrophobicContact CD2-CB 4.44Å; Y1288-L1350 HydrophobicContact CD2-CD2 3.94Å; Y1288-L1350 WeakPolarHBondContact CD2-O 3.36Å; Y1288-L1350 HydrophobicContact CE1-CD2 3.53Å; Y1288-L1350 HydrophobicContact CE2-CD2 3.98Å; Y1288-L1350 HydrophobicContact CG-CB 4.26Å; Y1288-L1350 HydrophobicContact CG-CD2 3.68Å; Y1288-I1353 HydrophobicContact CD2-CB 4.41Å; Y1288-I1353 HydrophobicContact CD2-CG2 4.37Å; Y1288-I1353 HydrophobicContact CE2-CB 4.18Å; Y1288-I1353 HydrophobicContact CE2-CG2 3.83Å; Y1288-F1405 HydrophobicContact CE1-CD2 4.35Å; Y1288-F1405 AromaticContact CE1-CE2 3.74Å; Y1288-F1405 HydrophobicContact CE1-CE2 3.74Å; Y1288-F1405 HydrophobicContact CE1-CZ 4.47Å; Y1288-F1405 AromaticContact CZ-CE2 3.73Å; Y1288-F1405 WeakPolarHBondContact OH-CE2 3.28Å; Y1288-F1405 WeakPolarHBondContact OH-CZ 3.39Å; Y1288-L1411 HydrophobicContact CE2-CD1 4.36Å |
| 1289 | L | 75.9 | Confident | 72.4 | Confident | 42 Ų | 42 | 54.3 Ų | 54.3 | 22% | 0.22 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.2 | -41 | 177.7 | -70.4 | 173.7 | 0 | 0 | 0 | 112 | I1257 I1285 H1286 S1291 K1292 C1293 | I1257-L1289 HydrophobicContact CG2-CD1 4.46Å; I1285-L1289 HydrophobicContact CG2-CD1 4.25Å; I1285-L1289 WeakPolarHBondContact O-CG 3.2Å; I1285-L1289 PolarHBondContact O-N 3.36Å; H1286-L1289 PolarHBondContact O-N 2.88Å; L1289-S1291 PolarHBondContact O-N 3.07Å; L1289-K1292 PolarHBondContact O-N 3.33Å; L1289-C1293 PolarHBondContact O-N 3.45Å; L1289-C1293 VanDerWaalsContact O-N 3.07Å; L1289-C1293 PolarHBondContact O-SG 3.07Å |
| 1290 | L | 74.3 | Confident | 71.7 | Confident | 47 Ų | 47 | 58.5 Ų | 58.5 | 25% | 0.246 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.6 | -41.4 | 175.4 | -73.3 | 169.9 | 0 | 0 | 0 | 112.6 | F1258 H1286 A1287 Y1288 K1292 C1293 K1294 | F1258-L1290 HydrophobicContact CZ-CD2 4.28Å; H1286-L1290 WeakPolarHBondContact O-CB 3.3Å; H1286-L1290 WeakPolarHBondContact O-CG 3.3Å; H1286-L1290 PolarHBondContact O-N 3.33Å; A1287-L1290 PolarHBondContact O-N 3.47Å; Y1288-L1290 VanDerWaalsContact C-N 3.27Å; Y1288-L1290 PolarHBondContact O-N 3.2Å; L1290-K1292 VanDerWaalsContact C-N 3.28Å; L1290-K1292 PolarHBondContact O-N 3.48Å; L1290-C1293 PolarHBondContact O-N 3.2Å; L1290-K1294 PolarHBondContact O-N 3.41Å |
| 1291 | S | 74.4 | Confident | 71.1 | Confident | 31 Ų | 31 | 64.3 Ų | 64.3 | 22% | 0.217 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.3 | -30.4 | 177.4 | 76.1 | 0 | 0 | 0 | 0 | 113.3 | A1287 Y1288 L1289 | A1287-S1291 PolarHBondContact O-N 3.22Å; Y1288-S1291 WeakPolarHBondContact O-CB 3.45Å; Y1288-S1291 PolarHBondContact O-N 3.05Å; Y1288-S1291 VanDerWaalsContact O-N 3.08Å; Y1288-S1291 PolarHBondContact O-OG 2.68Å; L1289-S1291 PolarHBondContact O-N 3.07Å |
| 1292 | K | 70.8 | Confident | 70.6 | Confident | 80 Ų | 80 | 69.3 Ų | 69.3 | 35% | 0.348 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -82.8 | -32.5 | 176.3 | -67.2 | -67.1 | -171.8 | 177.7 | 0 | 112.7 | Y1288 L1289 L1290 D1414 | Y1288-K1292 HydrophobicContact CE1-CG 4.14Å; Y1288-K1292 HydrophobicContact CE2-CG 4.46Å; Y1288-K1292 VanDerWaalsContact CZ-CE 3.45Å; Y1288-K1292 PolarHBondContact O-N 3.46Å; Y1288-K1292 VanDerWaalsContact O-N 3.14Å; Y1288-K1292 WeakPolarHBondContact OH-CE 3.49Å; L1289-K1292 PolarHBondContact O-N 3.33Å; L1290-K1292 VanDerWaalsContact C-N 3.28Å; L1290-K1292 PolarHBondContact O-N 3.48Å; K1292-D1414 IonicContact NZ-OD2 2.9Å; K1292-D1414 PolarHBondContact NZ-OD2 3.3Å |
| 1293 | C | 65.1 | Low | 70.2 | Confident | 46 Ų | 46 | 68.8 Ų | 68.8 | 31% | 0.311 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -72.3 | -40.6 | 176.7 | -70 | 0 | 0 | 0 | 0 | 112.6 | Y1254 L1289 L1290 | Y1254-C1293 HydrophobicContact CD1-CB 4.45Å; Y1254-C1293 VanDerWaalsContact CD1-SG 3.53Å; L1289-C1293 PolarHBondContact O-N 3.45Å; L1289-C1293 VanDerWaalsContact O-N 3.07Å; L1289-C1293 PolarHBondContact O-SG 3.07Å; L1290-C1293 PolarHBondContact O-N 3.2Å |
| 1294 | K | 59.1 | Low | 69.7 | Low | 91 Ų | 91 | 71.7 Ų | 71.7 | 40% | 0.396 | 35% | 0.354 | S | S | . | . | trans | -97 | 123.3 | -179 | -68.7 | -175.8 | 174.1 | -172.4 | 0 | 109.6 | L1290 I1296 | L1290-K1294 PolarHBondContact O-N 3.41Å; K1294-I1296 HydrophobicContact CB-CD1 3.41Å; K1294-I1296 VanDerWaalsContact CB-CD1 3.41Å; K1294-I1296 HydrophobicContact CB-CG1 3.58Å; K1294-I1296 HydrophobicContact CD-CD1 3.95Å; K1294-I1296 HydrophobicContact CD-CG1 3.83Å; K1294-I1296 HydrophobicContact CG-CD1 4.29Å; K1294-I1296 HydrophobicContact CG-CG1 4.37Å; K1294-I1296 PolarHBondContact O-N 2.8Å | ||
| 1295 | K | 54.4 | Low | 69.5 | Low | 199 Ų | 199 | 77.1 Ų | 77.1 | 87% | 0.865 | 38% | 0.377 | S | S | * | . | trans | -70.4 | 73.2 | 150.1 | -70.9 | -176.9 | -180 | 178.7 | 0 | 106.8 | N1297 | K1295-N1297 PolarHBondContact O-N 3.4Š| ||
| 1296 | I | 52.6 | Low | 69.5 | Low | 39 Ų | 39 | 80.8 Ų | 80.8 | 20% | 0.2 | 40% | 0.396 | C | S | . | . | trans | -59.9 | 125.3 | 173.2 | -70.9 | 115.6 | 0 | 0 | 0 | 106.2 | K1294 E1298 Y1303 | K1294-I1296 HydrophobicContact CB-CD1 3.41Å; K1294-I1296 VanDerWaalsContact CB-CD1 3.41Å; K1294-I1296 HydrophobicContact CB-CG1 3.58Å; K1294-I1296 HydrophobicContact CD-CD1 3.95Å; K1294-I1296 HydrophobicContact CD-CG1 3.83Å; K1294-I1296 HydrophobicContact CG-CD1 4.29Å; K1294-I1296 HydrophobicContact CG-CG1 4.37Å; K1294-I1296 PolarHBondContact O-N 2.8Å; I1296-E1298 PolarHBondContact O-N 2.89Å; I1296-Y1303 HydrophobicContact CB-CD1 4.45Å; I1296-Y1303 HydrophobicContact CB-CE1 4.23Å; I1296-Y1303 HydrophobicContact CD1-CD1 4.32Å; I1296-Y1303 HydrophobicContact CD1-CE1 3.37Å; I1296-Y1303 HydrophobicContact CD1-CE2 4.5Å; I1296-Y1303 VanDerWaalsContact CD1-CZ 3.48Å; I1296-Y1303 VanDerWaalsContact CD1-OH 3.31Å; I1296-Y1303 WeakPolarHBondContact CD1-OH 3.27Å; I1296-Y1303 HydrophobicContact CG1-CD1 4.1Å; I1296-Y1303 HydrophobicContact CG1-CE1 3.61Å; I1296-Y1303 HydrophobicContact CG2-CD1 3.7Å; I1296-Y1303 HydrophobicContact CG2-CE1 3.96Å; I1296-Y1303 HydrophobicContact CG2-CG 4.45Å | ||
| 1297 | N | 52.9 | Low | 69.6 | Low | 119 Ų | 119 | 79 Ų | 79 | 64% | 0.636 | 39% | 0.389 | S | S | * | . | trans | -56.4 | 116.8 | 165.9 | -72.4 | -15.4 | 0 | 0 | 0 | 106.1 | K1295 E1299 D1300 | K1295-N1297 PolarHBondContact O-N 3.4Å; N1297-E1299 PolarHBondContact O-N 3.11Å; N1297-D1300 PolarHBondContact O-N 3.42Å; N1297-D1300 VanDerWaalsContact O-N 3.14Å | ||
| 1298 | E | 53.9 | Low | 69.9 | Low | 124 Ų | 124 | 80.2 Ų | 80.2 | 58% | 0.579 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.2 | -21.2 | -179 | -74.6 | -177.7 | 174.2 | 0 | 0 | 111.6 | I1296 D1300 R1304 | I1296-E1298 PolarHBondContact O-N 2.89Å; E1298-D1300 PolarHBondContact O-N 3.27Å; E1298-R1304 PolarHBondContact O-NE 3.31Å; E1298-R1304 PolarHBondContact O-NH2 2.95Å |
| 1299 | E | 57.2 | Low | 70.3 | Confident | 175 Ų | 175 | 84 Ų | 84 | 82% | 0.818 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -12.5 | -177.9 | -56.5 | -173.7 | 167.6 | 0 | 0 | 116.3 | N1297 E1301 | N1297-E1299 PolarHBondContact O-N 3.11Å; E1299-E1301 PolarHBondContact O-N 2.98Å |
| 1300 | D | 69.8 | Low | 70.9 | Confident | 87 Ų | 87 | 85.1 Ų | 85.1 | 47% | 0.465 | 41% | 0.414 | S | S | . | . | trans | -74.1 | 89.1 | 179.7 | -84.9 | -23.4 | 0 | 0 | 0 | 112.6 | N1297 E1298 T1302 Y1303 R1304 | N1297-D1300 PolarHBondContact O-N 3.42Å; N1297-D1300 VanDerWaalsContact O-N 3.14Å; E1298-D1300 PolarHBondContact O-N 3.27Å; D1300-T1302 VanDerWaalsContact C-N 3.27Å; D1300-T1302 PolarHBondContact O-N 3.2Å; D1300-Y1303 PolarHBondContact O-N 2.88Å; D1300-R1304 PolarHBondContact O-N 3.11Å; D1300-R1304 VanDerWaalsContact O-N 3.14Å | ||
| 1301 | E | 73.3 | Confident | 71.6 | Confident | 124 Ų | 124 | 83.1 Ų | 83.1 | 58% | 0.579 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -56.4 | -38 | 177.1 | -83 | -152.3 | -179.5 | 0 | 0 | 113.7 | E1299 Y1303 R1304 K1305 | E1299-E1301 PolarHBondContact O-N 2.98Å; E1301-Y1303 VanDerWaalsContact C-N 3.33Å; E1301-Y1303 PolarHBondContact O-N 3.42Å; E1301-R1304 PolarHBondContact O-N 3.25Å; E1301-K1305 WeakPolarHBondContact O-CG 3.45Å; E1301-K1305 PolarHBondContact O-N 3.49Å; E1301-K1305 IonicContact OE2-NZ 2.85Å; E1301-K1305 PolarHBondContact OE2-NZ 3.4Å |
| 1302 | T | 76.5 | Confident | 72.4 | Confident | 108 Ų | 108 | 82.2 Ų | 82.2 | 66% | 0.663 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -63.6 | -41.6 | -178.8 | 51.9 | 0 | 0 | 0 | 0 | 111.1 | D1300 K1305 L1306 | D1300-T1302 VanDerWaalsContact C-N 3.27Å; D1300-T1302 PolarHBondContact O-N 3.2Å; T1302-K1305 PolarHBondContact O-N 3.09Å; T1302-L1306 WeakPolarHBondContact O-CB 3.3Å; T1302-L1306 PolarHBondContact O-N 3.33Å |
| 1303 | Y | 74.3 | Confident | 73.4 | Confident | 37 Ų | 37 | 78.9 Ų | 78.9 | 15% | 0.145 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -67.9 | -42.1 | 176.7 | -179.8 | -103.5 | 0 | 0 | 0 | 111.9 | I1296 D1300 E1301 K1305 L1306 I1307 | I1296-Y1303 HydrophobicContact CB-CD1 4.45Å; I1296-Y1303 HydrophobicContact CB-CE1 4.23Å; I1296-Y1303 HydrophobicContact CD1-CD1 4.32Å; I1296-Y1303 HydrophobicContact CD1-CE1 3.37Å; I1296-Y1303 HydrophobicContact CD1-CE2 4.5Å; I1296-Y1303 VanDerWaalsContact CD1-CZ 3.48Å; I1296-Y1303 VanDerWaalsContact CD1-OH 3.31Å; I1296-Y1303 WeakPolarHBondContact CD1-OH 3.27Å; I1296-Y1303 HydrophobicContact CG1-CD1 4.1Å; I1296-Y1303 HydrophobicContact CG1-CE1 3.61Å; I1296-Y1303 HydrophobicContact CG2-CD1 3.7Å; I1296-Y1303 HydrophobicContact CG2-CE1 3.96Å; I1296-Y1303 HydrophobicContact CG2-CG 4.45Å; D1300-Y1303 PolarHBondContact O-N 2.88Å; E1301-Y1303 VanDerWaalsContact C-N 3.33Å; E1301-Y1303 PolarHBondContact O-N 3.42Å; Y1303-K1305 VanDerWaalsContact C-N 3.35Å; Y1303-K1305 PolarHBondContact O-N 2.93Å; Y1303-L1306 PolarHBondContact O-N 3.49Å; Y1303-I1307 HydrophobicContact CD1-CD1 3.69Å; Y1303-I1307 HydrophobicContact CD1-CG1 4.46Å; Y1303-I1307 HydrophobicContact CE1-CD1 3.08Å; Y1303-I1307 HydrophobicContact CE1-CG1 4.03Å; Y1303-I1307 HydrophobicContact CE2-CD1 4.16Å; Y1303-I1307 HydrophobicContact CE2-CG1 4.28Å; Y1303-I1307 HydrophobicContact CG-CD1 4.45Å; Y1303-I1307 PolarHBondContact O-N 3.01Å |
| 1304 | R | 77.2 | Confident | 74.7 | Confident | 66 Ų | 66 | 76.7 Ų | 76.7 | 25% | 0.249 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -58.1 | -46 | 174.1 | -70.6 | 179.4 | 179.6 | -155.8 | -2.7 | 111.8 | E1298 D1300 E1301 I1307 L1308 P1356 | E1298-R1304 PolarHBondContact O-NE 3.31Å; E1298-R1304 PolarHBondContact O-NH2 2.95Å; D1300-R1304 PolarHBondContact O-N 3.11Å; D1300-R1304 VanDerWaalsContact O-N 3.14Å; E1301-R1304 PolarHBondContact O-N 3.25Å; R1304-I1307 PolarHBondContact O-N 3.22Å; R1304-L1308 WeakPolarHBondContact O-CB 3.11Å; R1304-L1308 PolarHBondContact O-N 3.11Å; R1304-P1356 HydrophobicContact CG-CG 4.28Å |
| 1305 | K | 81.2 | Confident | 76.2 | Confident | 117 Ų | 117 | 72.4 Ų | 72.4 | 51% | 0.509 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61 | -44.7 | 176.8 | -74.4 | 169.5 | -176.6 | 155.8 | 0 | 111.2 | E1301 T1302 Y1303 I1307 L1308 D1309 | E1301-K1305 WeakPolarHBondContact O-CG 3.45Å; E1301-K1305 PolarHBondContact O-N 3.49Å; E1301-K1305 IonicContact OE2-NZ 2.85Å; E1301-K1305 PolarHBondContact OE2-NZ 3.4Å; T1302-K1305 PolarHBondContact O-N 3.09Å; Y1303-K1305 VanDerWaalsContact C-N 3.35Å; Y1303-K1305 PolarHBondContact O-N 2.93Å; K1305-I1307 PolarHBondContact O-N 3.43Å; K1305-L1308 PolarHBondContact O-N 2.87Å; K1305-D1309 PolarHBondContact O-N 3.41Å |
| 1306 | L | 82.2 | Confident | 78 | Confident | 94 Ų | 94 | 63 Ų | 63 | 49% | 0.492 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59.9 | -47.1 | 177.1 | -178.2 | 67.8 | 0 | 0 | 0 | 112.7 | T1302 Y1303 L1308 D1309 R1310 | T1302-L1306 WeakPolarHBondContact O-CB 3.3Å; T1302-L1306 PolarHBondContact O-N 3.33Å; Y1303-L1306 PolarHBondContact O-N 3.49Å; L1306-L1308 VanDerWaalsContact C-N 3.34Å; L1306-D1309 PolarHBondContact O-N 3.41Å; L1306-R1310 VanDerWaalsContact O-CG 3.28Å; L1306-R1310 WeakPolarHBondContact O-CG 3.46Å; L1306-R1310 PolarHBondContact O-N 3.35Å |
| 1307 | I | 80.9 | Confident | 79.9 | Confident | 12 Ų | 12 | 61.2 Ų | 61.2 | 6% | 0.062 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64 | -43.1 | 177 | -63.3 | 165.2 | 0 | 0 | 0 | 110.4 | Y1303 R1304 K1305 D1309 R1310 S1311 Y1355 P1356 | Y1303-I1307 HydrophobicContact CD1-CD1 3.69Å; Y1303-I1307 HydrophobicContact CD1-CG1 4.46Å; Y1303-I1307 HydrophobicContact CE1-CD1 3.08Å; Y1303-I1307 HydrophobicContact CE1-CG1 4.03Å; Y1303-I1307 HydrophobicContact CE2-CD1 4.16Å; Y1303-I1307 HydrophobicContact CE2-CG1 4.28Å; Y1303-I1307 HydrophobicContact CG-CD1 4.45Å; Y1303-I1307 PolarHBondContact O-N 3.01Å; R1304-I1307 PolarHBondContact O-N 3.22Å; K1305-I1307 PolarHBondContact O-N 3.43Å; I1307-D1309 VanDerWaalsContact C-N 3.33Å; I1307-D1309 PolarHBondContact O-N 2.94Å; I1307-R1310 PolarHBondContact O-N 3.36Å; I1307-S1311 WeakPolarHBondContact O-CB 3.44Å; I1307-S1311 PolarHBondContact O-N 3.37Å; I1307-S1311 PolarHBondContact O-OG 3.43Å; I1307-Y1355 HydrophobicContact CB-CD2 4.26Å; I1307-Y1355 HydrophobicContact CG2-CD2 3.87Å; I1307-P1356 HydrophobicContact CD1-CG 4.46Å |
| 1308 | L | 84.7 | Confident | 81.7 | Confident | 44 Ų | 44 | 55.5 Ų | 55.5 | 23% | 0.23 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.8 | -48.5 | 179.8 | -173.2 | 63.9 | 0 | 0 | 0 | 110.6 | R1304 K1305 L1306 R1310 S1311 L1312 Y1355 L1361 T1366 | R1304-L1308 WeakPolarHBondContact O-CB 3.11Å; R1304-L1308 PolarHBondContact O-N 3.11Å; K1305-L1308 PolarHBondContact O-N 2.87Å; L1306-L1308 VanDerWaalsContact C-N 3.34Å; L1308-R1310 PolarHBondContact O-N 3.37Å; L1308-S1311 WeakPolarHBondContact CA-OG 3.45Å; L1308-S1311 PolarHBondContact O-N 2.97Å; L1308-S1311 PolarHBondContact O-OG 3.41Å; L1308-L1312 WeakPolarHBondContact O-CB 3.34Å; L1308-L1312 PolarHBondContact O-N 2.98Å; L1308-Y1355 HydrophobicContact CB-CE2 3.95Å; L1308-Y1355 HydrophobicContact CD1-CE2 4.13Å; L1308-L1361 HydrophobicContact CD1-CD2 4.34Å; L1308-T1366 HydrophobicContact CD1-CG2 4.07Å |
| 1309 | D | 86.3 | Confident | 83.3 | Confident | 81 Ų | 81 | 50 Ų | 50 | 43% | 0.433 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.9 | -43 | 177.9 | -81.2 | -34.3 | 0 | 0 | 0 | 112.7 | R1195 K1305 L1306 I1307 S1311 L1312 N1313 | R1195-D1309 IonicContact NH2-OD1 2.84Å; K1305-D1309 PolarHBondContact O-N 3.41Å; L1306-D1309 PolarHBondContact O-N 3.41Å; I1307-D1309 VanDerWaalsContact C-N 3.33Å; I1307-D1309 PolarHBondContact O-N 2.94Å; D1309-S1311 PolarHBondContact O-N 3Å; D1309-L1312 PolarHBondContact O-N 3.33Å; D1309-N1313 PolarHBondContact O-N 3.33Å; D1309-N1313 PolarHBondContact O-ND2 3.32Å |
| 1310 | R | 88.3 | Confident | 84.8 | Confident | 66 Ų | 66 | 41.8 Ų | 41.8 | 25% | 0.249 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.1 | -43.4 | 175.8 | -69.8 | 177.2 | 77.3 | 117.5 | -4.7 | 111.7 | L1202 E1206 L1306 I1307 L1308 N1313 C1314 | L1202-R1310 HydrophobicContact CD1-CB 4.14Å; L1202-R1310 HydrophobicContact CD1-CG 3.94Å; L1202-R1310 WeakPolarHBondContact CD2-O 3.46Å; E1206-R1310 IonicContact OE1-CZ 2.96Å; E1206-R1310 IonicContact OE1-NH2 3.8Å; E1206-R1310 PolarHBondContact OE1-NH2 3.38Å; L1306-R1310 VanDerWaalsContact O-CG 3.28Å; L1306-R1310 WeakPolarHBondContact O-CG 3.46Å; L1306-R1310 PolarHBondContact O-N 3.35Å; I1307-R1310 PolarHBondContact O-N 3.36Å; L1308-R1310 PolarHBondContact O-N 3.37Å; R1310-N1313 PolarHBondContact O-N 2.9Å; R1310-C1314 WeakPolarHBondContact O-CB 3.46Å; R1310-C1314 PolarHBondContact O-N 3.44Å |
| 1311 | S | 88.7 | Confident | 85.7 | Confident | 6 Ų | 6 | 37.8 Ų | 37.8 | 4% | 0.042 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.1 | -39.5 | 179.6 | 68.5 | 0 | 0 | 0 | 0 | 111.9 | I1307 L1308 D1309 C1314 L1315 L1361 | I1307-S1311 WeakPolarHBondContact O-CB 3.44Å; I1307-S1311 PolarHBondContact O-N 3.37Å; I1307-S1311 PolarHBondContact O-OG 3.43Å; L1308-S1311 WeakPolarHBondContact CA-OG 3.45Å; L1308-S1311 PolarHBondContact O-N 2.97Å; L1308-S1311 PolarHBondContact O-OG 3.41Å; D1309-S1311 PolarHBondContact O-N 3Å; S1311-C1314 PolarHBondContact O-N 2.92Å; S1311-L1315 WeakPolarHBondContact O-CB 3.07Å; S1311-L1315 VanDerWaalsContact O-CG 3.28Å; S1311-L1315 WeakPolarHBondContact O-CG 3.42Å; S1311-L1315 PolarHBondContact O-N 3.37Å; S1311-L1361 WeakPolarHBondContact OG-CD2 3.27Å |
| 1312 | L | 91 | Very high | 86.1 | Confident | 12 Ų | 12 | 32.4 Ų | 32.4 | 6% | 0.063 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.3 | -46.7 | 173.5 | 177.4 | 58 | 0 | 0 | 0 | 111.5 | L1308 D1309 L1315 T1316 P1365 T1366 L1369 | L1308-L1312 WeakPolarHBondContact O-CB 3.34Å; L1308-L1312 PolarHBondContact O-N 2.98Å; D1309-L1312 PolarHBondContact O-N 3.33Å; L1312-L1315 PolarHBondContact O-N 2.92Å; L1312-T1316 WeakPolarHBondContact O-CB 3.39Å; L1312-T1316 PolarHBondContact O-N 2.99Å; L1312-T1316 PolarHBondContact O-OG1 3.43Å; L1312-P1365 HydrophobicContact CD1-CB 3.96Å; L1312-P1365 HydrophobicContact CD1-CG 3.83Å; L1312-P1365 HydrophobicContact CD2-CG 4.09Å; L1312-T1366 HydrophobicContact CB-CG2 3.77Å; L1312-T1366 HydrophobicContact CD1-CG2 3.88Å; L1312-T1366 HydrophobicContact CG-CG2 4.38Å; L1312-L1369 HydrophobicContact CD1-CD1 3.63Å |
| 1313 | N | 92.3 | Very high | 86.4 | Confident | 9 Ų | 9 | 29.2 Ų | 29.2 | 5% | 0.048 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64 | -43.6 | 177.6 | -66.5 | -15.8 | 0 | 0 | 0 | 111.6 | R1195 E1198 I1199 L1202 D1309 R1310 T1316 W1317 | R1195-N1313 PolarHBondContact NE-OD1 2.92Å; R1195-N1313 PolarHBondContact NH2-OD1 2.95Å; E1198-N1313 VanDerWaalsContact CB-ND2 3.29Å; E1198-N1313 WeakPolarHBondContact CB-ND2 3.46Å; I1199-N1313 HydrophobicContact CG1-CB 3.86Å; L1202-N1313 HydrophobicContact CD2-CB 3.9Å; D1309-N1313 PolarHBondContact O-N 3.33Å; D1309-N1313 PolarHBondContact O-ND2 3.32Å; R1310-N1313 PolarHBondContact O-N 2.9Å; N1313-T1316 PolarHBondContact O-N 3.41Å; N1313-W1317 PolarHBondContact O-N 3.48Å |
| 1314 | C | 92.4 | Very high | 86.6 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.4 | -51.1 | 175.5 | -173.9 | 0 | 0 | 0 | 0 | 111.7 | L1202 P1283 F1284 R1310 S1311 T1316 W1317 I1318 | L1202-C1314 HydrophobicContact CD2-CB 4.27Å; P1283-C1314 HydrophobicContact CB-CB 4.13Å; P1283-C1314 HydrophobicContact CG-CB 4.4Å; F1284-C1314 HydrophobicContact CD1-CB 4.34Å; F1284-C1314 HydrophobicContact CE1-CB 3.98Å; F1284-C1314 HydrophobicContact CZ-CB 4.49Å; R1310-C1314 WeakPolarHBondContact O-CB 3.46Å; R1310-C1314 PolarHBondContact O-N 3.44Å; S1311-C1314 PolarHBondContact O-N 2.92Å; C1314-T1316 VanDerWaalsContact C-N 3.31Å; C1314-T1316 PolarHBondContact O-N 3.46Å; C1314-W1317 PolarHBondContact O-N 2.94Å; C1314-I1318 VanDerWaalsContact O-CG1 3.29Å; C1314-I1318 WeakPolarHBondContact O-CG1 3.37Å; C1314-I1318 PolarHBondContact O-N 2.75Å; C1314-I1318 VanDerWaalsContact SG-CD1 3.54Å |
| 1315 | L | 91.3 | Very high | 86.4 | Confident | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.9 | -37.7 | 178 | -71.2 | 170.3 | 0 | 0 | 0 | 112.2 | F1284 S1311 L1312 W1317 I1318 N1319 L1348 T1366 L1369 L1370 I1373 | F1284-L1315 HydrophobicContact CE2-CD2 3.95Å; F1284-L1315 HydrophobicContact CE2-CG 4.48Å; F1284-L1315 HydrophobicContact CZ-CD1 4.42Å; F1284-L1315 HydrophobicContact CZ-CD2 3.72Å; F1284-L1315 HydrophobicContact CZ-CG 3.77Å; S1311-L1315 WeakPolarHBondContact O-CB 3.07Å; S1311-L1315 VanDerWaalsContact O-CG 3.28Å; S1311-L1315 WeakPolarHBondContact O-CG 3.42Å; S1311-L1315 PolarHBondContact O-N 3.37Å; L1312-L1315 PolarHBondContact O-N 2.92Å; L1315-W1317 VanDerWaalsContact C-N 3.3Å; L1315-W1317 PolarHBondContact O-N 2.92Å; L1315-I1318 PolarHBondContact O-N 3.14Å; L1315-N1319 VanDerWaalsContact O-CB 3.25Å; L1315-N1319 WeakPolarHBondContact O-CB 3.37Å; L1315-N1319 PolarHBondContact O-N 3.38Å; L1315-L1348 HydrophobicContact CD2-CD2 4.05Å; L1315-T1366 HydrophobicContact CD1-CG2 4.29Å; L1315-L1369 HydrophobicContact CB-CB 3.99Å; L1315-L1369 HydrophobicContact CB-CD1 4.02Å; L1315-L1370 HydrophobicContact CD2-CD1 4.43Å; L1315-I1373 HydrophobicContact CB-CD1 4.37Å; L1315-I1373 HydrophobicContact CD2-CD1 3.68Å |
| 1316 | T | 91 | Very high | 85.9 | Confident | 3 Ų | 3 | 23.1 Ų | 23.1 | 2% | 0.018 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.4 | -44.4 | 176.2 | -59.2 | 0 | 0 | 0 | 0 | 110.3 | Y1191 V1192 I1199 L1312 N1313 C1314 Y1320 L1369 | Y1191-T1316 HydrophobicContact CD1-CG2 3.77Å; Y1191-T1316 HydrophobicContact CE1-CG2 3.65Å; V1192-T1316 HydrophobicContact CG2-CG2 4.28Å; I1199-T1316 HydrophobicContact CD1-CG2 3.94Å; L1312-T1316 WeakPolarHBondContact O-CB 3.39Å; L1312-T1316 PolarHBondContact O-N 2.99Å; L1312-T1316 PolarHBondContact O-OG1 3.43Å; N1313-T1316 PolarHBondContact O-N 3.41Å; C1314-T1316 VanDerWaalsContact C-N 3.31Å; C1314-T1316 PolarHBondContact O-N 3.46Å; T1316-Y1320 PolarHBondContact O-N 2.89Å; T1316-Y1320 VanDerWaalsContact O-N 3.16Å; T1316-L1369 WeakPolarHBondContact OG1-CD1 3.33Å |
| 1317 | W | 92.9 | Very high | 85.2 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -68.5 | -45.7 | 177.7 | -171.2 | -116.1 | 0 | 0 | 0 | 113 | L1150 I1172 F1173 I1178 V1192 I1199 Y1203 W1279 N1313 C1314 L1315 N1319 Y1320 L1321 | L1150-W1317 HydrophobicContact CD2-CZ2 4.07Å; I1172-W1317 HydrophobicContact CG2-CH2 4.33Å; I1172-W1317 HydrophobicContact CG2-CZ2 3.93Å; F1173-W1317 HydrophobicContact CD1-CH2 4.04Å; F1173-W1317 HydrophobicContact CD1-CZ2 4.2Å; F1173-W1317 HydrophobicContact CD1-CZ3 4.26Å; F1173-W1317 AromaticContact CE1-CD2 3.82Å; F1173-W1317 HydrophobicContact CE1-CD2 3.82Å; F1173-W1317 AromaticContact CE1-CE2 3.52Å; F1173-W1317 HydrophobicContact CE1-CE3 4.07Å; F1173-W1317 HydrophobicContact CE1-CG 4.5Å; F1173-W1317 AromaticContact CE1-CH2 3.78Å; F1173-W1317 HydrophobicContact CE1-CH2 3.78Å; F1173-W1317 AromaticContact CE1-CZ2 3.51Å; F1173-W1317 HydrophobicContact CE1-CZ2 3.51Å; F1173-W1317 HydrophobicContact CE1-CZ3 4.06Å; F1173-W1317 AromaticContact CZ-CE2 3.97Å; F1173-W1317 HydrophobicContact CZ-CZ2 4.02Å; I1178-W1317 HydrophobicContact CD1-CH2 4.29Å; I1178-W1317 HydrophobicContact CD1-CZ3 4.07Å; V1192-W1317 HydrophobicContact CG1-CE3 4.32Å; V1192-W1317 HydrophobicContact CG1-CZ3 4.28Å; I1199-W1317 HydrophobicContact CG2-CB 4.08Å; I1199-W1317 HydrophobicContact CG2-CD2 4.18Å; I1199-W1317 HydrophobicContact CG2-CE3 4.12Å; I1199-W1317 HydrophobicContact CG2-CG 4.18Å; Y1203-W1317 HydrophobicContact CE2-CB 3.95Å; Y1203-W1317 AromaticContact CE2-CD1 3.47Å; Y1203-W1317 VanDerWaalsContact CE2-CD1 3.47Å; Y1203-W1317 AromaticContact CE2-CG 3.8Å; Y1203-W1317 HydrophobicContact CE2-CG 3.8Å; Y1203-W1317 AromaticContact CZ-CD1 3.49Å; Y1203-W1317 VanDerWaalsContact CZ-CD1 3.49Å; W1279-W1317 AromaticContact CH2-NE1 3.87Å; W1279-W1317 AromaticContact CZ3-NE1 3.82Å; N1313-W1317 PolarHBondContact O-N 3.48Å; C1314-W1317 PolarHBondContact O-N 2.94Å; L1315-W1317 VanDerWaalsContact C-N 3.3Å; L1315-W1317 PolarHBondContact O-N 2.92Å; W1317-N1319 VanDerWaalsContact C-N 3.32Å; W1317-N1319 PolarHBondContact O-N 3.37Å; W1317-Y1320 HydrophobicContact CD2-CD1 4.48Å; W1317-Y1320 AromaticContact CE3-CD1 3.82Å; W1317-Y1320 HydrophobicContact CE3-CD1 3.82Å; W1317-Y1320 HydrophobicContact CE3-CE1 4.38Å; W1317-Y1320 AromaticContact CH2-CD1 3.97Å; W1317-Y1320 HydrophobicContact CH2-CD1 3.97Å; W1317-Y1320 AromaticContact CH2-CE1 3.76Å; W1317-Y1320 HydrophobicContact CH2-CE1 3.76Å; W1317-Y1320 AromaticContact CZ3-CD1 3.53Å; W1317-Y1320 HydrophobicContact CZ3-CD1 3.53Å; W1317-Y1320 AromaticContact CZ3-CE1 3.63Å; W1317-Y1320 HydrophobicContact CZ3-CE1 3.63Å; W1317-Y1320 HydrophobicContact CZ3-CG 4.5Å; W1317-Y1320 WeakPolarHBondContact O-CB 3.39Å; W1317-Y1320 PolarHBondContact O-N 3.5Å; W1317-L1321 HydrophobicContact CD2-CG 4.49Å; W1317-L1321 HydrophobicContact CZ2-CD2 4.09Å; W1317-L1321 HydrophobicContact CZ2-CG 4.48Å; W1317-L1321 WeakPolarHBondContact O-CG 3.29Å; W1317-L1321 PolarHBondContact O-N 3.01Å |
| 1318 | I | 90.2 | Very high | 84.2 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -58.8 | -44.4 | 177.1 | -68.9 | 165.4 | 0 | 0 | 0 | 110.7 | V1280 Y1281 F1284 C1314 L1315 Y1320 L1321 Q1322 M1339 I1373 | V1280-I1318 HydrophobicContact CG1-CG1 3.85Å; Y1281-I1318 HydrophobicContact CD1-CD1 3.78Å; Y1281-I1318 HydrophobicContact CD1-CG1 4.43Å; Y1281-I1318 HydrophobicContact CE1-CD1 3.79Å; Y1281-I1318 HydrophobicContact CE1-CG1 4.17Å; Y1281-I1318 HydrophobicContact CE1-CG2 4.27Å; F1284-I1318 HydrophobicContact CE2-CD1 4.38Å; C1314-I1318 VanDerWaalsContact O-CG1 3.29Å; C1314-I1318 WeakPolarHBondContact O-CG1 3.37Å; C1314-I1318 PolarHBondContact O-N 2.75Å; C1314-I1318 VanDerWaalsContact SG-CD1 3.54Å; L1315-I1318 PolarHBondContact O-N 3.14Å; I1318-Y1320 PolarHBondContact O-N 3.32Å; I1318-L1321 PolarHBondContact O-N 2.83Å; I1318-Q1322 VanDerWaalsContact O-CB 3.31Å; I1318-Q1322 WeakPolarHBondContact O-CB 3.27Å; I1318-Q1322 PolarHBondContact O-N 3.18Å; I1318-M1339 HydrophobicContact CG2-CE 3.9Å; I1318-I1373 HydrophobicContact CB-CD1 4.08Å; I1318-I1373 HydrophobicContact CG2-CD1 3.75Å; I1318-I1373 HydrophobicContact CG2-CG1 4.18Å; I1318-I1373 HydrophobicContact CG2-CG2 4.22Å |
| 1319 | N | 88.7 | Confident | 82.5 | Confident | 8 Ų | 8 | 23.6 Ų | 23.6 | 4% | 0.043 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.3 | -45.3 | 178 | -173.9 | -3.2 | 0 | 0 | 0 | 111.5 | L1315 W1317 L1321 Q1322 K1323 L1369 E1372 I1373 | L1315-N1319 VanDerWaalsContact O-CB 3.25Å; L1315-N1319 WeakPolarHBondContact O-CB 3.37Å; L1315-N1319 PolarHBondContact O-N 3.38Å; W1317-N1319 VanDerWaalsContact C-N 3.32Å; W1317-N1319 PolarHBondContact O-N 3.37Å; N1319-L1321 PolarHBondContact O-N 3.11Å; N1319-Q1322 PolarHBondContact O-N 2.95Å; N1319-K1323 WeakPolarHBondContact O-CG 3.21Å; N1319-K1323 PolarHBondContact O-N 2.8Å; N1319-K1323 WeakPolarHBondContact OD1-CD 3.49Å; N1319-K1323 WeakPolarHBondContact OD1-CE 3.44Å; N1319-K1323 PolarHBondContact OD1-NZ 3.07Å; N1319-L1369 HydrophobicContact CB-CD2 4.17Å; N1319-L1369 WeakPolarHBondContact ND2-CD2 3.35Å; N1319-E1372 PolarHBondContact ND2-OE2 3.32Å; N1319-I1373 HydrophobicContact CB-CD1 4.15Å; N1319-I1373 HydrophobicContact CB-CG1 3.91Å |
| 1320 | Y | 88.5 | Confident | 80.5 | Confident | 2 Ų | 2 | 24.8 Ų | 24.8 | 1% | 0.008 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -57.7 | -48.7 | 174.5 | 169.2 | -103.3 | 0 | 0 | 0 | 112.3 | H1146 I1178 N1181 V1192 T1316 W1317 I1318 Q1322 K1323 I1324 | H1146-Y1320 AromaticContact NE2-CE1 3.62Å; H1146-Y1320 AromaticContact NE2-CZ 3.87Å; H1146-Y1320 PolarHBondContact NE2-OH 3.38Å; H1146-Y1320 VanDerWaalsContact NE2-OH 3.16Å; I1178-Y1320 HydrophobicContact CG2-CE2 4.45Å; N1181-Y1320 PolarHBondContact ND2-OH 3.32Å; V1192-Y1320 HydrophobicContact CG2-CD2 3.97Å; V1192-Y1320 HydrophobicContact CG2-CG 4.08Å; T1316-Y1320 PolarHBondContact O-N 2.89Å; T1316-Y1320 VanDerWaalsContact O-N 3.16Å; W1317-Y1320 HydrophobicContact CD2-CD1 4.48Å; W1317-Y1320 AromaticContact CE3-CD1 3.82Å; W1317-Y1320 HydrophobicContact CE3-CD1 3.82Å; W1317-Y1320 HydrophobicContact CE3-CE1 4.38Å; W1317-Y1320 AromaticContact CH2-CD1 3.97Å; W1317-Y1320 HydrophobicContact CH2-CD1 3.97Å; W1317-Y1320 AromaticContact CH2-CE1 3.76Å; W1317-Y1320 HydrophobicContact CH2-CE1 3.76Å; W1317-Y1320 AromaticContact CZ3-CD1 3.53Å; W1317-Y1320 HydrophobicContact CZ3-CD1 3.53Å; W1317-Y1320 AromaticContact CZ3-CE1 3.63Å; W1317-Y1320 HydrophobicContact CZ3-CE1 3.63Å; W1317-Y1320 HydrophobicContact CZ3-CG 4.5Å; W1317-Y1320 WeakPolarHBondContact O-CB 3.39Å; W1317-Y1320 PolarHBondContact O-N 3.5Å; I1318-Y1320 PolarHBondContact O-N 3.32Å; Y1320-Q1322 PolarHBondContact O-N 2.98Å; Y1320-K1323 PolarHBondContact O-N 3.34Å; Y1320-I1324 HydrophobicContact CD1-CD1 3.98Å; Y1320-I1324 HydrophobicContact CD2-CD1 4.28Å; Y1320-I1324 HydrophobicContact CE1-CD1 3.39Å; Y1320-I1324 HydrophobicContact CE2-CD1 3.74Å; Y1320-I1324 HydrophobicContact CE2-CG1 4.37Å; Y1320-I1324 HydrophobicContact CG-CD1 4.4Å; Y1320-I1324 WeakPolarHBondContact O-CG1 3.39Å; Y1320-I1324 PolarHBondContact O-N 2.94Å; Y1320-I1324 WeakPolarHBondContact OH-CD1 3.23Å |
| 1321 | L | 87.2 | Confident | 78.4 | Confident | 4 Ų | 4 | 26.5 Ų | 26.5 | 2% | 0.021 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.5 | -40.5 | 178.3 | -69.1 | -178.9 | 0 | 0 | 0 | 112.6 | L1150 W1279 V1280 W1317 I1318 N1319 I1324 A1325 F1338 M1339 | L1150-L1321 HydrophobicContact CD1-CD2 3.61Å; L1150-L1321 HydrophobicContact CD2-CD2 3.97Å; L1150-L1321 HydrophobicContact CG-CD2 4.44Å; W1279-L1321 HydrophobicContact CH2-CD1 4.42Å; V1280-L1321 HydrophobicContact CB-CD1 4.45Å; V1280-L1321 HydrophobicContact CG1-CD1 3.77Å; V1280-L1321 HydrophobicContact CG2-CD1 3.8Å; W1317-L1321 HydrophobicContact CD2-CG 4.49Å; W1317-L1321 HydrophobicContact CZ2-CD2 4.09Å; W1317-L1321 HydrophobicContact CZ2-CG 4.48Å; W1317-L1321 WeakPolarHBondContact O-CG 3.29Å; W1317-L1321 PolarHBondContact O-N 3.01Å; I1318-L1321 PolarHBondContact O-N 2.83Å; N1319-L1321 PolarHBondContact O-N 3.11Å; L1321-I1324 WeakPolarHBondContact O-CB 3.48Å; L1321-I1324 PolarHBondContact O-N 3.41Å; L1321-A1325 WeakPolarHBondContact O-CB 3.21Å; L1321-A1325 PolarHBondContact O-N 2.85Å; L1321-F1338 HydrophobicContact CD1-CE2 4.42Å; L1321-M1339 HydrophobicContact CB-SD 3.97Å |
| 1322 | Q | 83 | Confident | 76.1 | Confident | 11 Ų | 11 | 29.7 Ų | 29.7 | 5% | 0.051 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -68.2 | -35.6 | 179 | -168.9 | 64 | 40.1 | 0 | 0 | 112.1 | I1318 N1319 Y1320 A1325 N1326 M1339 S1376 | I1318-Q1322 VanDerWaalsContact O-CB 3.31Å; I1318-Q1322 WeakPolarHBondContact O-CB 3.27Å; I1318-Q1322 PolarHBondContact O-N 3.18Å; N1319-Q1322 PolarHBondContact O-N 2.95Å; Y1320-Q1322 PolarHBondContact O-N 2.98Å; Q1322-A1325 WeakPolarHBondContact O-CB 3.39Å; Q1322-A1325 PolarHBondContact O-N 2.88Å; Q1322-N1326 VanDerWaalsContact O-CG 3.22Å; Q1322-N1326 PolarHBondContact O-N 3.42Å; Q1322-N1326 PolarHBondContact O-ND2 2.88Å; Q1322-M1339 HydrophobicContact CB-CE 4.41Å; Q1322-S1376 WeakPolarHBondContact CG-OG 3.47Å |
| 1323 | K | 81.3 | Confident | 73.6 | Confident | 40 Ų | 40 | 33 Ų | 33 | 17% | 0.174 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.1 | -40.2 | 172.6 | -74.1 | 170.2 | 170.2 | 167.3 | 0 | 111.8 | T1186 L1187 N1188 N1319 Y1320 N1326 L1327 E1372 | T1186-K1323 WeakPolarHBondContact O-CD 3.4Å; L1187-K1323 HydrophobicContact CD2-CB 3.85Å; N1188-K1323 PolarHBondContact ND2-NZ 3.34Å; N1319-K1323 WeakPolarHBondContact O-CG 3.21Å; N1319-K1323 PolarHBondContact O-N 2.8Å; N1319-K1323 WeakPolarHBondContact OD1-CD 3.49Å; N1319-K1323 WeakPolarHBondContact OD1-CE 3.44Å; N1319-K1323 PolarHBondContact OD1-NZ 3.07Å; Y1320-K1323 PolarHBondContact O-N 3.34Å; K1323-N1326 PolarHBondContact O-N 3.16Å; K1323-L1327 WeakPolarHBondContact O-CG 3.34Å; K1323-L1327 PolarHBondContact O-N 3.33Å; K1323-E1372 IonicContact NZ-OE2 3.94Å; K1323-E1372 PolarHBondContact NZ-OE2 2.9Å |
| 1324 | I | 78.5 | Confident | 71.1 | Confident | 8 Ų | 8 | 41.3 Ų | 41.3 | 4% | 0.041 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.1 | -46.6 | 172.1 | -70.8 | 176 | 0 | 0 | 0 | 111.1 | L1147 L1187 Y1320 L1321 N1326 L1327 C1328 F1336 | L1147-I1324 HydrophobicContact CD2-CD1 4.1Å; L1147-I1324 HydrophobicContact CD2-CG2 3.37Å; L1187-I1324 HydrophobicContact CD2-CG1 3.58Å; Y1320-I1324 HydrophobicContact CD1-CD1 3.98Å; Y1320-I1324 HydrophobicContact CD2-CD1 4.28Å; Y1320-I1324 HydrophobicContact CE1-CD1 3.39Å; Y1320-I1324 HydrophobicContact CE2-CD1 3.74Å; Y1320-I1324 HydrophobicContact CE2-CG1 4.37Å; Y1320-I1324 HydrophobicContact CG-CD1 4.4Å; Y1320-I1324 WeakPolarHBondContact O-CG1 3.39Å; Y1320-I1324 PolarHBondContact O-N 2.94Å; Y1320-I1324 WeakPolarHBondContact OH-CD1 3.23Å; L1321-I1324 WeakPolarHBondContact O-CB 3.48Å; L1321-I1324 PolarHBondContact O-N 3.41Å; I1324-N1326 VanDerWaalsContact C-N 3.26Å; I1324-N1326 PolarHBondContact O-N 2.92Å; I1324-L1327 PolarHBondContact O-N 2.77Å; I1324-L1327 VanDerWaalsContact O-N 3.1Å; I1324-C1328 PolarHBondContact O-N 3Å; I1324-C1328 PolarHBondContact O-SG 3.27Å; I1324-C1328 VanDerWaalsContact O-SG 3.42Å; I1324-F1336 HydrophobicContact CG2-CE1 4.39Å; I1324-F1336 HydrophobicContact CG2-CE2 3.64Å; I1324-F1336 HydrophobicContact CG2-CZ 3.44Å; I1324-F1336 VanDerWaalsContact CG2-CZ 3.44Å |
| 1325 | A | 73.9 | Confident | 68.9 | Low | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -54.8 | -42.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1321 Q1322 L1327 C1328 N1335 F1336 | L1321-A1325 WeakPolarHBondContact O-CB 3.21Å; L1321-A1325 PolarHBondContact O-N 2.85Å; Q1322-A1325 WeakPolarHBondContact O-CB 3.39Å; Q1322-A1325 PolarHBondContact O-N 2.88Å; A1325-L1327 VanDerWaalsContact C-N 3.33Å; A1325-L1327 PolarHBondContact O-N 2.88Å; A1325-C1328 PolarHBondContact O-N 2.92Å; A1325-N1335 HydrophobicContact CB-CB 3.91Å; A1325-N1335 PolarHBondContact O-ND2 3.48Å; A1325-N1335 PolarHBondContact O-OD1 2.78Å; A1325-F1336 HydrophobicContact CB-CD2 3.8Å; A1325-F1336 HydrophobicContact CB-CE2 4.29Å |
| 1326 | N | 71.4 | Confident | 66.8 | Low | 84 Ų | 84 | 43.6 Ų | 43.6 | 45% | 0.449 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -74 | -19.4 | 179.4 | -68 | -17.3 | 0 | 0 | 0 | 114.4 | Q1322 K1323 I1324 | Q1322-N1326 VanDerWaalsContact O-CG 3.22Å; Q1322-N1326 PolarHBondContact O-N 3.42Å; Q1322-N1326 PolarHBondContact O-ND2 2.88Å; K1323-N1326 PolarHBondContact O-N 3.16Å; I1324-N1326 VanDerWaalsContact C-N 3.26Å; I1324-N1326 PolarHBondContact O-N 2.92Å |
| 1327 | L | 65.8 | Low | 64.9 | Low | 52 Ų | 52 | 45.3 Ų | 45.3 | 27% | 0.272 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -80.1 | -23.5 | 175.6 | -74.6 | 167.5 | 0 | 0 | 0 | 112.7 | L1187 K1323 I1324 A1325 | L1187-L1327 HydrophobicContact CD1-CD1 4.13Å; L1187-L1327 HydrophobicContact CD2-CD1 3.79Å; L1187-L1327 HydrophobicContact CG-CD1 3.9Å; K1323-L1327 WeakPolarHBondContact O-CG 3.34Å; K1323-L1327 PolarHBondContact O-N 3.33Å; I1324-L1327 PolarHBondContact O-N 2.77Å; I1324-L1327 VanDerWaalsContact O-N 3.1Å; A1325-L1327 VanDerWaalsContact C-N 3.33Å; A1325-L1327 PolarHBondContact O-N 2.88Å |
| 1328 | C | 61.1 | Low | 63.2 | Low | 17 Ų | 17 | 46 Ų | 46 | 12% | 0.115 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -79.3 | 132 | 174.4 | -57.7 | 0 | 0 | 0 | 0 | 108.6 | Y1060 I1324 A1325 F1336 | Y1060-C1328 PolarHBondContact OH-SG 3.18Å; I1324-C1328 PolarHBondContact O-N 3Å; I1324-C1328 PolarHBondContact O-SG 3.27Å; I1324-C1328 VanDerWaalsContact O-SG 3.42Å; A1325-C1328 PolarHBondContact O-N 2.92Å; C1328-F1336 HydrophobicContact CB-CE2 4.48Å |
| 1329 | D | 48.4 | Very low | 62 | Low | 92 Ų | 92 | 46.5 Ų | 46.5 | 49% | 0.492 | 27% | 0.265 | S | S | . | . | trans | -49.3 | 142.7 | -170 | -83.2 | -38.6 | 0 | 0 | 0 | 115.1 | S1331 D1332 | D1329-S1331 PolarHBondContact O-N 2.71Å; D1329-S1331 VanDerWaalsContact O-N 3.15Å; D1329-D1332 PolarHBondContact O-N 3.32Å | ||
| 1330 | S | 44.4 | Very low | 61 | Low | 106 Ų | 106 | 49.5 Ų | 49.5 | 74% | 0.741 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -68.2 | -12.3 | -177.9 | 62.7 | 0 | 0 | 0 | 0 | 115.5 | D1332 S1333 | S1330-D1332 PolarHBondContact O-N 3.15Å; S1330-S1333 WeakPolarHBondContact O-CA 3.5Å; S1330-S1333 WeakPolarHBondContact O-CB 3.17Å; S1330-S1333 PolarHBondContact O-N 3.08Å |
| 1331 | S | 43.3 | Very low | 60.1 | Low | 101 Ų | 101 | 52.3 Ų | 52.3 | 71% | 0.706 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -67.5 | -26.9 | 173.9 | 51 | 0 | 0 | 0 | 0 | 111.7 | D1329 S1333 | D1329-S1331 PolarHBondContact O-N 2.71Å; D1329-S1331 VanDerWaalsContact O-N 3.15Å; S1331-S1333 PolarHBondContact O-N 3.48Å |
| 1332 | D | 41.8 | Very low | 59.6 | Low | 74 Ų | 74 | 52.7 Ų | 52.7 | 40% | 0.396 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -90.1 | 51.2 | 168.6 | -66.2 | -32.3 | 0 | 0 | 0 | 109.4 | D1329 S1330 Y1334 N1335 | D1329-D1332 PolarHBondContact O-N 3.32Å; S1330-D1332 PolarHBondContact O-N 3.15Å; D1332-Y1334 CarbonylContact O-C 3.51Å; D1332-Y1334 VanDerWaalsContact O-C 3.27Å; D1332-Y1334 PolarHBondContact O-N 3.39Å; D1332-N1335 PolarHBondContact O-N 2.95Å |
| 1333 | S | 37.4 | Very low | 59.3 | Low | 80 Ų | 80 | 55 Ų | 55 | 56% | 0.559 | 31% | 0.313 | S | S | * | . | trans | -54 | -6.9 | -167.9 | 71.6 | 0 | 0 | 0 | 0 | 116 | S1330 S1331 N1335 | S1330-S1333 WeakPolarHBondContact O-CA 3.5Å; S1330-S1333 WeakPolarHBondContact O-CB 3.17Å; S1330-S1333 PolarHBondContact O-N 3.08Å; S1331-S1333 PolarHBondContact O-N 3.48Å; S1333-N1335 PolarHBondContact O-N 2.7Å | ||
| 1334 | Y | 39.9 | Very low | 59.4 | Low | 184 Ų | 184 | 53.1 Ų | 53.1 | 72% | 0.722 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -96.2 | 68.7 | 166 | -57.8 | -75.5 | 0 | 0 | 0 | 109.8 | D1332 F1336 | D1332-Y1334 CarbonylContact O-C 3.51Å; D1332-Y1334 VanDerWaalsContact O-C 3.27Å; D1332-Y1334 PolarHBondContact O-N 3.39Å; Y1334-F1336 PolarHBondContact O-N 3.16Å; Y1334-F1336 VanDerWaalsContact O-N 3.17Å |
| 1335 | N | 45.8 | Very low | 59.8 | Low | 37 Ų | 37 | 52.8 Ų | 52.8 | 20% | 0.198 | 30% | 0.303 | C | S | . | . | trans | -41.4 | 117.1 | 171.4 | -77.5 | -10.2 | 0 | 0 | 0 | 111.5 | A1325 D1332 S1333 G1337 | A1325-N1335 HydrophobicContact CB-CB 3.91Å; A1325-N1335 PolarHBondContact O-ND2 3.48Å; A1325-N1335 PolarHBondContact O-OD1 2.78Å; D1332-N1335 PolarHBondContact O-N 2.95Å; S1333-N1335 PolarHBondContact O-N 2.7Å; N1335-G1337 PolarHBondContact O-N 2.93Å | ||
| 1336 | F | 48.4 | Very low | 60.3 | Low | 12 Ų | 12 | 52.8 Ų | 52.8 | 5% | 0.053 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | -8.6 | 170.4 | -80.4 | -86.3 | 0 | 0 | 0 | 119.3 | L1147 R1151 I1324 A1325 C1328 Y1334 F1338 | L1147-F1336 HydrophobicContact CB-CE1 4.34Å; L1147-F1336 HydrophobicContact CB-CZ 4.48Å; L1147-F1336 HydrophobicContact CD2-CE1 4.21Å; L1147-F1336 HydrophobicContact CD2-CZ 3.95Å; R1151-F1336 HydrophobicContact CG-CD1 4Å; R1151-F1336 HydrophobicContact CG-CE1 4.35Å; I1324-F1336 HydrophobicContact CG2-CE1 4.39Å; I1324-F1336 HydrophobicContact CG2-CE2 3.64Å; I1324-F1336 HydrophobicContact CG2-CZ 3.44Å; I1324-F1336 VanDerWaalsContact CG2-CZ 3.44Å; A1325-F1336 HydrophobicContact CB-CD2 3.8Å; A1325-F1336 HydrophobicContact CB-CE2 4.29Å; C1328-F1336 HydrophobicContact CB-CE2 4.48Å; Y1334-F1336 PolarHBondContact O-N 3.16Å; Y1334-F1336 VanDerWaalsContact O-N 3.17Å; F1336-F1338 HydrophobicContact CB-CD1 4.13Å; F1336-F1338 HydrophobicContact CB-CD2 4.22Å; F1336-F1338 HydrophobicContact CB-CE1 3.68Å; F1336-F1338 HydrophobicContact CB-CE2 3.76Å; F1336-F1338 HydrophobicContact CB-CG 4.39Å; F1336-F1338 HydrophobicContact CB-CZ 3.49Å; F1336-F1338 VanDerWaalsContact CB-CZ 3.49Å; F1336-F1338 AromaticContact CD1-CE1 3.77Å; F1336-F1338 HydrophobicContact CD1-CE1 3.77Å; F1336-F1338 HydrophobicContact CD1-CE2 4.37Å; F1336-F1338 AromaticContact CD1-CZ 3.44Å; F1336-F1338 HydrophobicContact CD1-CZ 3.44Å; F1336-F1338 VanDerWaalsContact CD1-CZ 3.44Å; F1336-F1338 HydrophobicContact CE1-CZ 4.5Å; F1336-F1338 HydrophobicContact CG-CE1 4.18Å; F1336-F1338 HydrophobicContact CG-CE2 4.27Å; F1336-F1338 AromaticContact CG-CZ 3.75Å; F1336-F1338 HydrophobicContact CG-CZ 3.75Å; F1336-F1338 WeakPolarHBondContact O-CD1 3.47Å; F1336-F1338 WeakPolarHBondContact O-CE1 3.37Å; F1336-F1338 PolarHBondContact O-N 3.09Å; F1336-F1338 VanDerWaalsContact O-N 3.12Å |
| 1337 | G | 50.5 | Low | 61 | Low | 39 Ų | 39 | 48.8 Ų | 48.8 | 40% | 0.402 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | -5.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | L1066 N1335 | L1066-G1337 VanDerWaalsContact CD1-CA 3.44Å; N1335-G1337 PolarHBondContact O-N 2.93Å |
| 1338 | F | 57.6 | Low | 62.1 | Low | 15 Ų | 15 | 46.4 Ų | 46.4 | 7% | 0.066 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.4 | 3.9 | 179.3 | 50.3 | -104.3 | 0 | 0 | 0 | 114.1 | L1150 R1151 V1280 L1321 F1336 | L1150-F1338 HydrophobicContact CB-CE1 4.42Å; L1150-F1338 HydrophobicContact CB-CZ 4.15Å; R1151-F1338 HydrophobicContact CG-CE1 4.41Å; V1280-F1338 HydrophobicContact CG2-CD2 3.73Å; V1280-F1338 HydrophobicContact CG2-CE2 4.11Å; V1280-F1338 HydrophobicContact CG2-CG 4.49Å; L1321-F1338 HydrophobicContact CD1-CE2 4.42Å; F1336-F1338 HydrophobicContact CB-CD1 4.13Å; F1336-F1338 HydrophobicContact CB-CD2 4.22Å; F1336-F1338 HydrophobicContact CB-CE1 3.68Å; F1336-F1338 HydrophobicContact CB-CE2 3.76Å; F1336-F1338 HydrophobicContact CB-CG 4.39Å; F1336-F1338 HydrophobicContact CB-CZ 3.49Å; F1336-F1338 VanDerWaalsContact CB-CZ 3.49Å; F1336-F1338 AromaticContact CD1-CE1 3.77Å; F1336-F1338 HydrophobicContact CD1-CE1 3.77Å; F1336-F1338 HydrophobicContact CD1-CE2 4.37Å; F1336-F1338 AromaticContact CD1-CZ 3.44Å; F1336-F1338 HydrophobicContact CD1-CZ 3.44Å; F1336-F1338 VanDerWaalsContact CD1-CZ 3.44Å; F1336-F1338 HydrophobicContact CE1-CZ 4.5Å; F1336-F1338 HydrophobicContact CG-CE1 4.18Å; F1336-F1338 HydrophobicContact CG-CE2 4.27Å; F1336-F1338 AromaticContact CG-CZ 3.75Å; F1336-F1338 HydrophobicContact CG-CZ 3.75Å; F1336-F1338 WeakPolarHBondContact O-CD1 3.47Å; F1336-F1338 WeakPolarHBondContact O-CE1 3.37Å; F1336-F1338 PolarHBondContact O-N 3.09Å; F1336-F1338 VanDerWaalsContact O-N 3.12Å |
| 1339 | M | 64.4 | Low | 63.4 | Low | 11 Ų | 11 | 45.6 Ų | 45.6 | 5% | 0.054 | 26% | 0.263 | C | S | . | . | trans | -129.4 | 79.6 | 176.5 | -58.5 | -160.7 | 75.9 | 0 | 0 | 111.2 | Y1281 I1318 L1321 Q1322 | Y1281-M1339 HydrophobicContact CE1-CE 4.5Å; Y1281-M1339 WeakPolarHBondContact OH-CE 3.32Å; I1318-M1339 HydrophobicContact CG2-CE 3.9Å; L1321-M1339 HydrophobicContact CB-SD 3.97Å; Q1322-M1339 HydrophobicContact CB-CE 4.41Å | ||
| 1340 | D | 68.9 | Low | 65.1 | Low | 71 Ų | 71 | 41.2 Ų | 41.2 | 38% | 0.38 | 24% | 0.24 | S | C | . | . | trans | -74.6 | 125.8 | 163.9 | 177.3 | -13 | 0 | 0 | 0 | 108.6 | V1342 E1343 S1344 | D1340-V1342 PolarHBondContact O-N 3.39Å; D1340-V1342 PolarHBondContact OD1-N 2.93Å; D1340-E1343 HydrophobicContact CB-CB 3.94Å; D1340-E1343 HydrophobicContact CB-CG 3.86Å; D1340-E1343 PolarHBondContact O-N 3.44Å; D1340-S1344 VanDerWaalsContact O-CB 3.3Å; D1340-S1344 WeakPolarHBondContact O-CB 3.45Å; D1340-S1344 PolarHBondContact O-N 3.24Å; D1340-S1344 PolarHBondContact O-OG 3.15Å | ||
| 1341 | P | 69.6 | Low | 67 | Low | 61 Ų | 61 | 36.2 Ų | 36.2 | 40% | 0.396 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -41.5 | -49.1 | 171.6 | -33.8 | 38.4 | 0 | 0 | 0 | 114.1 | S1344 I1345 I1377 | P1341-S1344 WeakPolarHBondContact O-CB 3.31Å; P1341-S1344 PolarHBondContact O-N 3.48Å; P1341-I1345 WeakPolarHBondContact O-CD1 3.27Å; P1341-I1345 PolarHBondContact O-N 2.89Å; P1341-I1377 HydrophobicContact CB-CG2 3.83Å |
| 1342 | V | 75.9 | Confident | 69 | Low | 12 Ų | 12 | 31.4 Ų | 31.4 | 7% | 0.073 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -70.8 | -45.1 | -174.9 | -172.2 | 0 | 0 | 0 | 0 | 110.2 | D1340 S1344 I1345 V1346 L1396 V1399 | D1340-V1342 PolarHBondContact O-N 3.39Å; D1340-V1342 PolarHBondContact OD1-N 2.93Å; V1342-S1344 VanDerWaalsContact C-N 3.3Å; V1342-S1344 PolarHBondContact O-N 3.18Å; V1342-I1345 PolarHBondContact O-N 3.32Å; V1342-V1346 PolarHBondContact O-N 3.33Å; V1342-L1396 HydrophobicContact CG1-CD2 3.71Å; V1342-L1396 HydrophobicContact CG1-CG 4.11Å; V1342-V1399 HydrophobicContact CB-CG2 4.49Å; V1342-V1399 HydrophobicContact CG1-CG2 3.69Å |
| 1343 | E | 77.9 | Confident | 71 | Confident | 60 Ų | 60 | 28.8 Ų | 28.8 | 28% | 0.28 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -61 | -43.4 | 176.1 | -67.8 | -171.3 | 158.4 | 0 | 0 | 111.3 | D1340 I1345 V1346 R1347 V1399 | D1340-E1343 HydrophobicContact CB-CB 3.94Å; D1340-E1343 HydrophobicContact CB-CG 3.86Å; D1340-E1343 PolarHBondContact O-N 3.44Å; E1343-I1345 VanDerWaalsContact C-N 3.29Å; E1343-I1345 PolarHBondContact O-N 3.11Å; E1343-V1346 WeakPolarHBondContact O-CB 3.44Å; E1343-V1346 PolarHBondContact O-N 3.25Å; E1343-R1347 VanDerWaalsContact CB-NH1 3.29Å; E1343-R1347 WeakPolarHBondContact O-CD 3.21Å; E1343-R1347 PolarHBondContact O-N 2.75Å; E1343-R1347 PolarHBondContact O-NH1 3.49Å; E1343-R1347 VanDerWaalsContact O-NH1 3.08Å; E1343-V1399 HydrophobicContact CG-CG1 4.07Å |
| 1344 | S | 82.3 | Confident | 73.1 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -54.4 | -45.5 | -179.6 | -56 | 0 | 0 | 0 | 0 | 111.3 | Y1281 D1340 P1341 V1342 V1346 R1347 L1348 | Y1281-S1344 WeakPolarHBondContact OH-CB 3.03Å; Y1281-S1344 PolarHBondContact OH-OG 2.99Å; D1340-S1344 VanDerWaalsContact O-CB 3.3Å; D1340-S1344 WeakPolarHBondContact O-CB 3.45Å; D1340-S1344 PolarHBondContact O-N 3.24Å; D1340-S1344 PolarHBondContact O-OG 3.15Å; P1341-S1344 WeakPolarHBondContact O-CB 3.31Å; P1341-S1344 PolarHBondContact O-N 3.48Å; V1342-S1344 VanDerWaalsContact C-N 3.3Å; V1342-S1344 PolarHBondContact O-N 3.18Å; S1344-V1346 PolarHBondContact O-N 3.4Å; S1344-R1347 PolarHBondContact O-N 3.46Å; S1344-R1347 VanDerWaalsContact O-N 3.16Å; S1344-L1348 VanDerWaalsContact O-CG 3.28Å; S1344-L1348 WeakPolarHBondContact O-CG 3.25Å; S1344-L1348 PolarHBondContact O-N 2.95Å |
| 1345 | I | 86.7 | Confident | 75 | Confident | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -62.8 | -44.3 | 177.6 | -75 | 148.2 | 0 | 0 | 0 | 112 | P1341 V1342 E1343 R1347 L1348 T1349 I1377 W1435 | P1341-I1345 WeakPolarHBondContact O-CD1 3.27Å; P1341-I1345 PolarHBondContact O-N 2.89Å; V1342-I1345 PolarHBondContact O-N 3.32Å; E1343-I1345 VanDerWaalsContact C-N 3.29Å; E1343-I1345 PolarHBondContact O-N 3.11Å; I1345-R1347 PolarHBondContact O-N 2.99Å; I1345-L1348 PolarHBondContact O-N 3.38Å; I1345-T1349 HydrophobicContact CG2-CG2 4.41Å; I1345-T1349 WeakPolarHBondContact O-CG2 3.44Å; I1345-T1349 PolarHBondContact O-N 3.18Å; I1345-T1349 PolarHBondContact O-OG1 3.45Å; I1345-I1377 HydrophobicContact CD1-CG2 3.59Å; I1345-I1377 HydrophobicContact CG1-CD1 4.11Å; I1345-I1377 HydrophobicContact CG1-CG2 4.19Å; I1345-W1435 HydrophobicContact CD1-CD2 3.32Å; I1345-W1435 HydrophobicContact CD1-CE3 3.6Å; I1345-W1435 HydrophobicContact CD1-CG 4.02Å; I1345-W1435 HydrophobicContact CD1-CH2 3.27Å; I1345-W1435 HydrophobicContact CD1-CZ2 3.01Å; I1345-W1435 HydrophobicContact CD1-CZ3 3.57Å; I1345-W1435 HydrophobicContact CG1-CD2 4.21Å; I1345-W1435 HydrophobicContact CG1-CE3 4.46Å; I1345-W1435 HydrophobicContact CG1-CZ2 4.47Å; I1345-W1435 HydrophobicContact CG2-CD2 4.36Å; I1345-W1435 HydrophobicContact CG2-CE3 3.99Å; I1345-W1435 HydrophobicContact CG2-CZ3 4.38Å |
| 1346 | V | 85.7 | Confident | 76.2 | Confident | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -56.4 | -41.7 | 175.9 | 177.2 | 0 | 0 | 0 | 0 | 110.6 | V1342 E1343 S1344 T1349 L1350 L1396 V1399 L1401 Y1408 L1411 | V1342-V1346 PolarHBondContact O-N 3.33Å; E1343-V1346 WeakPolarHBondContact O-CB 3.44Å; E1343-V1346 PolarHBondContact O-N 3.25Å; S1344-V1346 PolarHBondContact O-N 3.4Å; V1346-T1349 PolarHBondContact O-N 2.99Å; V1346-T1349 PolarHBondContact O-OG1 2.94Å; V1346-L1350 WeakPolarHBondContact O-CG 3.11Å; V1346-L1350 PolarHBondContact O-N 2.96Å; V1346-L1350 VanDerWaalsContact O-N 3.12Å; V1346-L1396 HydrophobicContact CG2-CD2 4.01Å; V1346-V1399 HydrophobicContact CB-CG1 4.24Å; V1346-V1399 HydrophobicContact CG1-CG1 4.34Å; V1346-V1399 HydrophobicContact CG2-CB 4.25Å; V1346-V1399 HydrophobicContact CG2-CG1 3.84Å; V1346-V1399 HydrophobicContact CG2-CG2 4.38Å; V1346-L1401 HydrophobicContact CG1-CD2 3.41Å; V1346-L1401 VanDerWaalsContact CG1-CD2 3.41Å; V1346-Y1408 HydrophobicContact CB-CD2 4.27Å; V1346-Y1408 HydrophobicContact CB-CE2 4.15Å; V1346-Y1408 HydrophobicContact CG1-CD2 3.99Å; V1346-Y1408 HydrophobicContact CG1-CE2 4.23Å; V1346-Y1408 HydrophobicContact CG2-CD2 3.63Å; V1346-Y1408 HydrophobicContact CG2-CE2 3.62Å; V1346-Y1408 HydrophobicContact CG2-CG 4.49Å; V1346-L1411 HydrophobicContact CG1-CD2 4.1Å |
| 1347 | R | 86.1 | Confident | 77.2 | Confident | 1 Ų | 1 | 16.6 Ų | 16.6 | 0% | 0.004 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -74.9 | -34.7 | -179.9 | -73.6 | 79.1 | -178.2 | 154.7 | -1.1 | 112.6 | E1278 Y1281 I1285 E1343 S1344 I1345 T1349 L1350 G1351 K1400 | E1278-R1347 VanDerWaalsContact CD-NH2 3.29Å; E1278-R1347 IonicContact OE1-CZ 3.73Å; E1278-R1347 IonicContact OE1-NE 3.56Å; E1278-R1347 IonicContact OE1-NH2 2.83Å; E1278-R1347 PolarHBondContact OE1-NH2 3.14Å; E1278-R1347 IonicContact OE2-CZ 2.8Å; E1278-R1347 IonicContact OE2-NE 2.77Å; E1278-R1347 PolarHBondContact OE2-NE 3.01Å; E1278-R1347 IonicContact OE2-NH2 3.68Å; E1278-R1347 PolarHBondContact OE2-NH2 2.92Å; Y1281-R1347 HydrophobicContact CD1-CB 3.79Å; Y1281-R1347 HydrophobicContact CD1-CG 4.47Å; Y1281-R1347 HydrophobicContact CD2-CB 4.13Å; Y1281-R1347 HydrophobicContact CD2-CG 3.98Å; Y1281-R1347 HydrophobicContact CE1-CB 4.44Å; Y1281-R1347 HydrophobicContact CG-CB 3.61Å; Y1281-R1347 HydrophobicContact CG-CG 3.79Å; I1285-R1347 HydrophobicContact CD1-CG 4.32Å; I1285-R1347 HydrophobicContact CG1-CG 4.39Å; E1343-R1347 VanDerWaalsContact CB-NH1 3.29Å; E1343-R1347 WeakPolarHBondContact O-CD 3.21Å; E1343-R1347 PolarHBondContact O-N 2.75Å; E1343-R1347 PolarHBondContact O-NH1 3.49Å; E1343-R1347 VanDerWaalsContact O-NH1 3.08Å; S1344-R1347 PolarHBondContact O-N 3.46Å; S1344-R1347 VanDerWaalsContact O-N 3.16Å; I1345-R1347 PolarHBondContact O-N 2.99Å; R1347-T1349 VanDerWaalsContact C-N 3.31Å; R1347-T1349 PolarHBondContact O-N 3.41Å; R1347-L1350 PolarHBondContact O-N 3.46Å; R1347-G1351 PolarHBondContact O-N 3.07Å; R1347-K1400 PolarHBondContact NH2-O 3.39Å |
| 1348 | L | 87.6 | Confident | 77.6 | Confident | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.005 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -63.3 | -37.1 | 171.2 | -68 | 177 | 0 | 0 | 0 | 111.6 | F1284 L1315 S1344 I1345 G1351 S1352 L1370 I1373 L1374 I1377 L1432 | F1284-L1348 HydrophobicContact CD2-CD2 4.39Å; F1284-L1348 HydrophobicContact CE2-CD2 3.77Å; L1315-L1348 HydrophobicContact CD2-CD2 4.05Å; S1344-L1348 VanDerWaalsContact O-CG 3.28Å; S1344-L1348 WeakPolarHBondContact O-CG 3.25Å; S1344-L1348 PolarHBondContact O-N 2.95Å; I1345-L1348 PolarHBondContact O-N 3.38Å; L1348-G1351 PolarHBondContact O-N 3.23Å; L1348-S1352 WeakPolarHBondContact O-CB 3.46Å; L1348-S1352 PolarHBondContact O-N 2.81Å; L1348-S1352 PolarHBondContact O-OG 2.83Å; L1348-L1370 HydrophobicContact CD1-CD1 4.21Å; L1348-L1370 HydrophobicContact CD2-CD1 4.2Å; L1348-I1373 HydrophobicContact CD1-CG2 3.77Å; L1348-L1374 HydrophobicContact CD1-CD2 4.29Å; L1348-I1377 HydrophobicContact CD1-CD1 3.9Å; L1348-L1432 HydrophobicContact CB-CD1 4.44Å |
| 1349 | T | 87.8 | Confident | 77.7 | Confident | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -65.9 | -42.5 | 174.9 | 59.8 | 0 | 0 | 0 | 0 | 111.9 | I1345 V1346 R1347 G1351 S1352 I1353 L1411 L1415 L1432 | I1345-T1349 HydrophobicContact CG2-CG2 4.41Å; I1345-T1349 WeakPolarHBondContact O-CG2 3.44Å; I1345-T1349 PolarHBondContact O-N 3.18Å; I1345-T1349 PolarHBondContact O-OG1 3.45Å; V1346-T1349 PolarHBondContact O-N 2.99Å; V1346-T1349 PolarHBondContact O-OG1 2.94Å; R1347-T1349 VanDerWaalsContact C-N 3.31Å; R1347-T1349 PolarHBondContact O-N 3.41Å; T1349-G1351 PolarHBondContact O-N 2.92Å; T1349-S1352 PolarHBondContact O-N 3.19Å; T1349-I1353 WeakPolarHBondContact O-CD1 3.22Å; T1349-I1353 VanDerWaalsContact O-CG1 3.27Å; T1349-I1353 WeakPolarHBondContact O-CG1 3.47Å; T1349-I1353 PolarHBondContact O-N 3.39Å; T1349-L1411 VanDerWaalsContact OG1-CD2 3.25Å; T1349-L1411 WeakPolarHBondContact OG1-CD2 3.32Å; T1349-L1415 HydrophobicContact CG2-CD1 4.38Å; T1349-L1415 HydrophobicContact CG2-CD2 3.76Å; T1349-L1432 HydrophobicContact CG2-CD1 4.06Å; T1349-L1432 HydrophobicContact CG2-CD2 4.42Å; T1349-L1432 HydrophobicContact CG2-CG 4.24Å |
| 1350 | L | 85.7 | Confident | 77.6 | Confident | 1 Ų | 1 | 16.4 Ų | 16.4 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -57.8 | -48.8 | 173.2 | -71 | 166.3 | 0 | 0 | 0 | 111.7 | I1285 Y1288 V1346 R1347 S1352 I1353 S1354 P1402 L1411 | I1285-L1350 HydrophobicContact CG1-CD1 4.5Å; Y1288-L1350 HydrophobicContact CD1-CD2 3.5Å; Y1288-L1350 HydrophobicContact CD2-CB 4.44Å; Y1288-L1350 HydrophobicContact CD2-CD2 3.94Å; Y1288-L1350 WeakPolarHBondContact CD2-O 3.36Å; Y1288-L1350 HydrophobicContact CE1-CD2 3.53Å; Y1288-L1350 HydrophobicContact CE2-CD2 3.98Å; Y1288-L1350 HydrophobicContact CG-CB 4.26Å; Y1288-L1350 HydrophobicContact CG-CD2 3.68Å; V1346-L1350 WeakPolarHBondContact O-CG 3.11Å; V1346-L1350 PolarHBondContact O-N 2.96Å; V1346-L1350 VanDerWaalsContact O-N 3.12Å; R1347-L1350 PolarHBondContact O-N 3.46Å; L1350-S1352 VanDerWaalsContact C-N 3.32Å; L1350-S1352 PolarHBondContact O-N 3.24Å; L1350-I1353 PolarHBondContact O-N 3.23Å; L1350-S1354 PolarHBondContact O-N 3.11Å; L1350-S1354 VanDerWaalsContact O-N 3.11Å; L1350-P1402 HydrophobicContact CD1-CG 3.74Å; L1350-L1411 HydrophobicContact CD2-CD1 3.45Å; L1350-L1411 VanDerWaalsContact CD2-CD1 3.45Å; L1350-L1411 HydrophobicContact CD2-CD2 4.1Å; L1350-L1411 HydrophobicContact CD2-CG 4.44Å; L1350-L1411 HydrophobicContact CG-CD1 4.2Å; L1350-L1411 HydrophobicContact CG-CD2 4.07Å |
| 1351 | G | 83.5 | Confident | 77.9 | Confident | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -59.3 | -42.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | R1347 L1348 T1349 S1354 | R1347-G1351 PolarHBondContact O-N 3.07Å; L1348-G1351 PolarHBondContact O-N 3.23Å; T1349-G1351 PolarHBondContact O-N 2.92Å; G1351-S1354 PolarHBondContact O-N 2.81Å; G1351-S1354 PolarHBondContact O-OG 3.11Å |
| 1352 | S | 85.4 | Confident | 78.2 | Confident | 1 Ų | 1 | 10.4 Ų | 10.4 | 1% | 0.007 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -68.9 | -38.1 | -179.1 | -57 | 0 | 0 | 0 | 0 | 113.2 | L1348 T1349 L1350 S1354 L1432 | L1348-S1352 WeakPolarHBondContact O-CB 3.46Å; L1348-S1352 PolarHBondContact O-N 2.81Å; L1348-S1352 PolarHBondContact O-OG 2.83Å; T1349-S1352 PolarHBondContact O-N 3.19Å; L1350-S1352 VanDerWaalsContact C-N 3.32Å; L1350-S1352 PolarHBondContact O-N 3.24Å; S1352-S1354 VanDerWaalsContact C-N 3.32Å; S1352-L1432 WeakPolarHBondContact OG-CD2 3.45Å |
| 1353 | I | 84.4 | Confident | 78.4 | Confident | 19 Ų | 19 | 10.9 Ų | 10.9 | 10% | 0.097 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -70.3 | -31.6 | 177.2 | -65.4 | 160.8 | 0 | 0 | 0 | 111.2 | Y1288 T1349 L1350 Y1355 L1411 D1414 L1415 | Y1288-I1353 HydrophobicContact CD2-CB 4.41Å; Y1288-I1353 HydrophobicContact CD2-CG2 4.37Å; Y1288-I1353 HydrophobicContact CE2-CB 4.18Å; Y1288-I1353 HydrophobicContact CE2-CG2 3.83Å; T1349-I1353 WeakPolarHBondContact O-CD1 3.22Å; T1349-I1353 VanDerWaalsContact O-CG1 3.27Å; T1349-I1353 WeakPolarHBondContact O-CG1 3.47Å; T1349-I1353 PolarHBondContact O-N 3.39Å; L1350-I1353 PolarHBondContact O-N 3.23Å; I1353-Y1355 PolarHBondContact O-N 3.18Å; I1353-L1411 HydrophobicContact CD1-CD1 3.6Å; I1353-L1411 HydrophobicContact CD1-CG 4.01Å; I1353-L1411 WeakPolarHBondContact CD1-O 3.33Å; I1353-D1414 HydrophobicContact CD1-CB 4.03Å; I1353-D1414 HydrophobicContact CG2-CB 4.5Å; I1353-L1415 HydrophobicContact CD1-CB 4.07Å; I1353-L1415 HydrophobicContact CD1-CD1 4.42Å; I1353-L1415 HydrophobicContact CG1-CB 4.26Å; I1353-L1415 HydrophobicContact CG1-CD1 3.99Å |
| 1354 | S | 80.1 | Confident | 78.3 | Confident | 5 Ų | 5 | 14.3 Ų | 14.3 | 4% | 0.035 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -17.8 | -176.2 | 75.4 | 0 | 0 | 0 | 0 | 114.8 | L1350 G1351 S1352 P1356 | L1350-S1354 PolarHBondContact O-N 3.11Å; L1350-S1354 VanDerWaalsContact O-N 3.11Å; G1351-S1354 PolarHBondContact O-N 2.81Å; G1351-S1354 PolarHBondContact O-OG 3.11Å; S1352-S1354 VanDerWaalsContact C-N 3.32Å; S1354-P1356 WeakPolarHBondContact O-CD 3.36Å |
| 1355 | Y | 81.4 | Confident | 78.2 | Confident | 23 Ų | 23 | 16.6 Ų | 16.6 | 9% | 0.09 | 10% | 0.097 | C | C | . | . | trans | -89.1 | 116.3 | -176.5 | -179.6 | -101.7 | 0 | 0 | 0 | 111.3 | I1307 L1308 I1353 G1357 L1361 H1418 | I1307-Y1355 HydrophobicContact CB-CD2 4.26Å; I1307-Y1355 HydrophobicContact CG2-CD2 3.87Å; L1308-Y1355 HydrophobicContact CB-CE2 3.95Å; L1308-Y1355 HydrophobicContact CD1-CE2 4.13Å; I1353-Y1355 PolarHBondContact O-N 3.18Å; Y1355-G1357 VanDerWaalsContact C-N 3.33Å; Y1355-G1357 WeakPolarHBondContact CE1-O 3.27Å; Y1355-G1357 PolarHBondContact O-N 3.35Å; Y1355-L1361 HydrophobicContact CG-CD2 4.34Å; Y1355-H1418 PolarHBondContact O-CE1 2.86Å; Y1355-H1418 PolarHBondContact O-NE2 3.41Å | ||
| 1356 | P | 70.9 | Confident | 78.2 | Confident | 28 Ų | 28 | 16.9 Ų | 16.9 | 18% | 0.182 | 10% | 0.098 | C | C | . | . | trans | -84.2 | -3.6 | -175.3 | 33.2 | -35.4 | 0 | 0 | 0 | 114.1 | R1304 I1307 S1354 | R1304-P1356 HydrophobicContact CG-CG 4.28Å; I1307-P1356 HydrophobicContact CD1-CG 4.46Å; S1354-P1356 WeakPolarHBondContact O-CD 3.36Å | ||
| 1357 | G | 69.3 | Low | 78.1 | Confident | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -78.2 | 144.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y1355 G1359 G1360 | Y1355-G1357 VanDerWaalsContact C-N 3.33Å; Y1355-G1357 WeakPolarHBondContact CE1-O 3.27Å; Y1355-G1357 PolarHBondContact O-N 3.35Å; G1357-G1359 PolarHBondContact O-N 2.86Å; G1357-G1360 PolarHBondContact O-N 2.64Å; G1357-G1360 VanDerWaalsContact O-N 3.16Å |
| 1358 | A | 58.7 | Low | 78 | Confident | 50 Ų | 50 | 20.1 Ų | 20.1 | 41% | 0.413 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 118.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y1424 | A1358-Y1424 HydrophobicContact CB-CE2 3.49Å; A1358-Y1424 VanDerWaalsContact CB-CE2 3.49Å; A1358-Y1424 VanDerWaalsContact CB-OH 3.31Å; A1358-Y1424 WeakPolarHBondContact CB-OH 3.5Å |
| 1359 | G | 58.7 | Low | 78 | Confident | 6 Ų | 6 | 20.5 Ų | 20.5 | 6% | 0.062 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 115.5 | -26.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | G1357 F1363 L1422 Y1424 | G1357-G1359 PolarHBondContact O-N 2.86Å; G1359-F1363 VanDerWaalsContact C-CD2 3.45Å; G1359-F1363 WeakPolarHBondContact O-CD2 3.45Å; G1359-F1363 WeakPolarHBondContact O-CE2 3.4Å; G1359-L1422 CarbonylContact C-O 3.54Å; G1359-L1422 WeakPolarHBondContact CA-O 3.31Å; G1359-L1422 PolarHBondContact N-O 3.45Å; G1359-Y1424 VanDerWaalsContact N-CE2 3.35Å |
| 1360 | G | 63.8 | Low | 78 | Confident | 6 Ų | 6 | 20.6 Ų | 20.6 | 6% | 0.062 | 12% | 0.117 | C | C | . | . | G | 310 helix | trans | 62 | -174.5 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | G1357 G1362 | G1357-G1360 PolarHBondContact O-N 2.64Å; G1357-G1360 VanDerWaalsContact O-N 3.16Å; G1360-G1362 PolarHBondContact O-N 3.06Å |
| 1361 | L | 75.2 | Confident | 78 | Confident | 2 Ų | 2 | 20.6 Ų | 20.6 | 1% | 0.01 | 12% | 0.117 | C | C | . | . | G | 310 helix | trans | -72.6 | 14 | 171.3 | -59.4 | 178.1 | 0 | 0 | 0 | 113.3 | F1284 L1308 S1311 Y1355 T1366 G1367 | F1284-L1361 HydrophobicContact CZ-CD1 4.32Å; L1308-L1361 HydrophobicContact CD1-CD2 4.34Å; S1311-L1361 WeakPolarHBondContact OG-CD2 3.27Å; Y1355-L1361 HydrophobicContact CG-CD2 4.34Å; L1361-T1366 HydrophobicContact CD2-CG2 4.43Å; L1361-T1366 CarbonylContact O-C 3.57Å; L1361-T1366 VanDerWaalsContact O-C 3.32Å; L1361-T1366 PolarHBondContact O-OG1 3.27Å; L1361-G1367 VanDerWaalsContact O-CA 3.24Å; L1361-G1367 WeakPolarHBondContact O-CA 3.44Å; L1361-G1367 PolarHBondContact O-N 2.82Å; L1361-G1367 VanDerWaalsContact O-N 3.12Å |
| 1362 | G | 76 | Confident | 78 | Confident | 3 Ų | 3 | 21.8 Ų | 21.8 | 3% | 0.031 | 12% | 0.123 | C | C | . | . | G | 310 helix | trans | -94.6 | 2.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | G1360 S1426 | G1360-G1362 PolarHBondContact O-N 3.06Å; G1362-S1426 PolarHBondContact O-OG 3.31Å |
| 1363 | F | 78.5 | Confident | 78.1 | Confident | 23 Ų | 23 | 21.8 Ų | 21.8 | 10% | 0.101 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -124.6 | 169.5 | -178.8 | -64.8 | -75.9 | 0 | 0 | 0 | 111.9 | G1359 T1366 G1367 S1423 V1591 | G1359-F1363 VanDerWaalsContact C-CD2 3.45Å; G1359-F1363 WeakPolarHBondContact O-CD2 3.45Å; G1359-F1363 WeakPolarHBondContact O-CE2 3.4Å; F1363-T1366 PolarHBondContact O-OG1 2.78Å; F1363-G1367 PolarHBondContact O-N 3.13Å; F1363-S1423 WeakPolarHBondContact CE2-O 3.14Å; F1363-S1423 WeakPolarHBondContact CZ-O 3.27Å; F1363-V1591 HydrophobicContact CD1-CB 4.23Å; F1363-V1591 WeakPolarHBondContact CD1-O 3.47Å; F1363-V1591 HydrophobicContact CE1-CB 3.75Å; F1363-V1591 HydrophobicContact CE1-CG1 3.8Å |
| 1364 | E | 76.8 | Confident | 78.2 | Confident | 132 Ų | 132 | 21 Ų | 21 | 62% | 0.617 | 12% | 0.118 | S | C | * | . | H | α-helix | trans | 50.6 | -153.8 | 177.4 | -47.3 | -160.2 | 143.4 | 0 | 0 | 112.4 | T1366 G1367 Q1368 | E1364-T1366 PolarHBondContact O-N 2.84Å; E1364-G1367 PolarHBondContact O-N 2.84Å; E1364-Q1368 PolarHBondContact O-N 3.19Å |
| 1365 | P | 79.8 | Confident | 78.3 | Confident | 48 Ų | 48 | 25.1 Ų | 25.1 | 31% | 0.312 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -67.8 | -23.8 | -172.9 | 29 | -34.8 | 0 | 0 | 0 | 112.6 | L1312 Q1368 L1369 | L1312-P1365 HydrophobicContact CD1-CB 3.96Å; L1312-P1365 HydrophobicContact CD1-CG 3.83Å; L1312-P1365 HydrophobicContact CD2-CG 4.09Å; P1365-Q1368 PolarHBondContact O-N 3.32Å; P1365-L1369 VanDerWaalsContact O-CG 3.25Å; P1365-L1369 WeakPolarHBondContact O-CG 3.36Å; P1365-L1369 PolarHBondContact O-N 2.68Å |
| 1366 | T | 86.5 | Confident | 78.3 | Confident | 5 Ų | 5 | 25.5 Ų | 25.5 | 3% | 0.031 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.5 | -43.1 | 176.2 | 52.4 | 0 | 0 | 0 | 0 | 111.2 | L1308 L1312 L1315 L1361 F1363 E1364 Q1368 L1369 L1370 | L1308-T1366 HydrophobicContact CD1-CG2 4.07Å; L1312-T1366 HydrophobicContact CB-CG2 3.77Å; L1312-T1366 HydrophobicContact CD1-CG2 3.88Å; L1312-T1366 HydrophobicContact CG-CG2 4.38Å; L1315-T1366 HydrophobicContact CD1-CG2 4.29Å; L1361-T1366 HydrophobicContact CD2-CG2 4.43Å; L1361-T1366 CarbonylContact O-C 3.57Å; L1361-T1366 VanDerWaalsContact O-C 3.32Å; L1361-T1366 PolarHBondContact O-OG1 3.27Å; F1363-T1366 PolarHBondContact O-OG1 2.78Å; E1364-T1366 PolarHBondContact O-N 2.84Å; T1366-Q1368 PolarHBondContact O-N 3.14Å; T1366-L1369 PolarHBondContact O-N 3.33Å; T1366-L1370 VanDerWaalsContact O-CB 3.31Å; T1366-L1370 WeakPolarHBondContact O-CB 3.2Å; T1366-L1370 PolarHBondContact O-N 2.65Å |
| 1367 | G | 84.5 | Confident | 78.8 | Confident | 3 Ų | 3 | 24.9 Ų | 24.9 | 3% | 0.031 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.1 | -42.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1361 F1363 E1364 L1370 A1371 V1428 | L1361-G1367 VanDerWaalsContact O-CA 3.24Å; L1361-G1367 WeakPolarHBondContact O-CA 3.44Å; L1361-G1367 PolarHBondContact O-N 2.82Å; L1361-G1367 VanDerWaalsContact O-N 3.12Å; F1363-G1367 PolarHBondContact O-N 3.13Å; E1364-G1367 PolarHBondContact O-N 2.84Å; G1367-L1370 PolarHBondContact O-N 2.84Å; G1367-A1371 WeakPolarHBondContact O-CB 3.1Å; G1367-A1371 PolarHBondContact O-N 2.79Å; G1367-V1428 WeakPolarHBondContact O-CG1 3.47Å |
| 1368 | Q | 84 | Confident | 79.2 | Confident | 66 Ų | 66 | 25.6 Ų | 25.6 | 31% | 0.308 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -62.4 | -47.5 | 176.3 | -174.8 | -174.1 | -20.6 | 0 | 0 | 111.6 | E1364 P1365 T1366 A1371 E1372 N1586 | E1364-Q1368 PolarHBondContact O-N 3.19Å; P1365-Q1368 PolarHBondContact O-N 3.32Å; T1366-Q1368 PolarHBondContact O-N 3.14Å; Q1368-A1371 WeakPolarHBondContact O-CB 3.43Å; Q1368-A1371 PolarHBondContact O-N 2.93Å; Q1368-E1372 PolarHBondContact NE2-OE1 3.26Å; Q1368-E1372 PolarHBondContact O-N 2.85Å; Q1368-N1586 PolarHBondContact NE2-OD1 2.91Å |
| 1369 | L | 86.7 | Confident | 80.2 | Confident | 10 Ų | 10 | 25 Ų | 25 | 5% | 0.052 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.7 | -43.1 | 179.2 | -68.8 | 168.4 | 0 | 0 | 0 | 111.8 | Y1191 L1312 L1315 T1316 N1319 P1365 T1366 A1371 E1372 I1373 | Y1191-L1369 HydrophobicContact CE1-CD1 4.5Å; Y1191-L1369 HydrophobicContact CE1-CD2 4.38Å; L1312-L1369 HydrophobicContact CD1-CD1 3.63Å; L1315-L1369 HydrophobicContact CB-CB 3.99Å; L1315-L1369 HydrophobicContact CB-CD1 4.02Å; T1316-L1369 WeakPolarHBondContact OG1-CD1 3.33Å; N1319-L1369 HydrophobicContact CB-CD2 4.17Å; N1319-L1369 WeakPolarHBondContact ND2-CD2 3.35Å; P1365-L1369 VanDerWaalsContact O-CG 3.25Å; P1365-L1369 WeakPolarHBondContact O-CG 3.36Å; P1365-L1369 PolarHBondContact O-N 2.68Å; T1366-L1369 PolarHBondContact O-N 3.33Å; L1369-A1371 VanDerWaalsContact C-N 3.29Å; L1369-A1371 PolarHBondContact O-N 2.88Å; L1369-E1372 PolarHBondContact O-N 2.82Å; L1369-I1373 WeakPolarHBondContact O-CD1 3.42Å; L1369-I1373 VanDerWaalsContact O-CG1 3.25Å; L1369-I1373 WeakPolarHBondContact O-CG1 3.29Å; L1369-I1373 PolarHBondContact O-N 3.4Å |
| 1370 | L | 87.8 | Confident | 81 | Confident | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.8 | -40.8 | 176.9 | -178.7 | 62.3 | 0 | 0 | 0 | 111.1 | L1315 L1348 T1366 G1367 I1373 L1374 V1428 | L1315-L1370 HydrophobicContact CD2-CD1 4.43Å; L1348-L1370 HydrophobicContact CD1-CD1 4.21Å; L1348-L1370 HydrophobicContact CD2-CD1 4.2Å; T1366-L1370 VanDerWaalsContact O-CB 3.31Å; T1366-L1370 WeakPolarHBondContact O-CB 3.2Å; T1366-L1370 PolarHBondContact O-N 2.65Å; G1367-L1370 PolarHBondContact O-N 2.84Å; L1370-I1373 PolarHBondContact O-N 3.48Å; L1370-L1374 HydrophobicContact CD1-CD1 4.42Å; L1370-L1374 HydrophobicContact CD1-CG 4.44Å; L1370-L1374 HydrophobicContact CG-CD1 4.16Å; L1370-L1374 WeakPolarHBondContact O-CB 3.18Å; L1370-L1374 VanDerWaalsContact O-CG 3.29Å; L1370-L1374 WeakPolarHBondContact O-CG 3.32Å; L1370-L1374 PolarHBondContact O-N 2.85Å; L1370-V1428 HydrophobicContact CB-CG1 4.01Å; L1370-V1428 HydrophobicContact CD2-CG1 3.88Å; L1370-V1428 HydrophobicContact CG-CG1 3.94Å |
| 1371 | A | 85 | Confident | 81.3 | Confident | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.008 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.9 | -43.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | G1367 Q1368 L1369 I1373 L1374 Y1375 V1428 L1585 L1589 | G1367-A1371 WeakPolarHBondContact O-CB 3.1Å; G1367-A1371 PolarHBondContact O-N 2.79Å; Q1368-A1371 WeakPolarHBondContact O-CB 3.43Å; Q1368-A1371 PolarHBondContact O-N 2.93Å; L1369-A1371 VanDerWaalsContact C-N 3.29Å; L1369-A1371 PolarHBondContact O-N 2.88Å; A1371-I1373 VanDerWaalsContact C-N 3.34Å; A1371-L1374 PolarHBondContact O-N 2.79Å; A1371-Y1375 VanDerWaalsContact O-CB 3.31Å; A1371-Y1375 WeakPolarHBondContact O-CB 3.46Å; A1371-Y1375 PolarHBondContact O-N 3.34Å; A1371-V1428 HydrophobicContact CB-CG1 4.03Å; A1371-V1428 HydrophobicContact CB-CG2 4.07Å; A1371-L1585 HydrophobicContact CB-CD2 4.15Å; A1371-L1589 HydrophobicContact CB-CD1 3.46Å; A1371-L1589 VanDerWaalsContact CB-CD1 3.46Å |
| 1372 | E | 84.9 | Confident | 80.4 | Confident | 26 Ų | 26 | 37.6 Ų | 37.6 | 12% | 0.121 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.8 | -44.2 | 174.5 | -76.7 | -178.7 | -151.3 | 0 | 0 | 111.5 | N1319 K1323 Q1368 L1369 Y1375 S1376 L1585 | N1319-E1372 PolarHBondContact ND2-OE2 3.32Å; K1323-E1372 IonicContact NZ-OE2 3.94Å; K1323-E1372 PolarHBondContact NZ-OE2 2.9Å; Q1368-E1372 PolarHBondContact NE2-OE1 3.26Å; Q1368-E1372 PolarHBondContact O-N 2.85Å; L1369-E1372 PolarHBondContact O-N 2.82Å; E1372-Y1375 PolarHBondContact O-N 2.71Å; E1372-S1376 WeakPolarHBondContact O-CB 3.5Å; E1372-S1376 PolarHBondContact O-N 2.96Å; E1372-S1376 PolarHBondContact O-OG 3.2Å; E1372-L1585 HydrophobicContact CB-CD1 4.34Å; E1372-L1585 HydrophobicContact CG-CD1 3.64Å |
| 1373 | I | 86.8 | Confident | 78.9 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.3 | -49.7 | 177.7 | -65.6 | 161.3 | 0 | 0 | 0 | 110.3 | L1315 I1318 N1319 L1348 L1369 L1370 A1371 Y1375 S1376 I1377 | L1315-I1373 HydrophobicContact CB-CD1 4.37Å; L1315-I1373 HydrophobicContact CD2-CD1 3.68Å; I1318-I1373 HydrophobicContact CB-CD1 4.08Å; I1318-I1373 HydrophobicContact CG2-CD1 3.75Å; I1318-I1373 HydrophobicContact CG2-CG1 4.18Å; I1318-I1373 HydrophobicContact CG2-CG2 4.22Å; N1319-I1373 HydrophobicContact CB-CD1 4.15Å; N1319-I1373 HydrophobicContact CB-CG1 3.91Å; L1348-I1373 HydrophobicContact CD1-CG2 3.77Å; L1369-I1373 WeakPolarHBondContact O-CD1 3.42Å; L1369-I1373 VanDerWaalsContact O-CG1 3.25Å; L1369-I1373 WeakPolarHBondContact O-CG1 3.29Å; L1369-I1373 PolarHBondContact O-N 3.4Å; L1370-I1373 PolarHBondContact O-N 3.48Å; A1371-I1373 VanDerWaalsContact C-N 3.34Å; I1373-Y1375 VanDerWaalsContact C-N 3.28Å; I1373-Y1375 PolarHBondContact O-N 3.06Å; I1373-S1376 WeakPolarHBondContact CA-OG 3.35Å; I1373-S1376 PolarHBondContact O-N 3.01Å; I1373-S1376 VanDerWaalsContact O-N 3.09Å; I1373-S1376 PolarHBondContact O-OG 2.7Å; I1373-I1377 HydrophobicContact CG2-CD1 3.81Å; I1373-I1377 HydrophobicContact CG2-CG1 4.36Å; I1373-I1377 WeakPolarHBondContact O-CG1 3.4Å; I1373-I1377 PolarHBondContact O-N 2.82Å |
| 1374 | L | 85.9 | Confident | 76.9 | Confident | 3 Ų | 3 | 46.2 Ų | 46.2 | 2% | 0.016 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.2 | -39.7 | 178 | -73.4 | 172.2 | 0 | 0 | 0 | 112.5 | L1348 L1370 A1371 S1376 I1377 G1378 N1431 L1432 V1468 | L1348-L1374 HydrophobicContact CD1-CD2 4.29Å; L1370-L1374 HydrophobicContact CD1-CD1 4.42Å; L1370-L1374 HydrophobicContact CD1-CG 4.44Å; L1370-L1374 HydrophobicContact CG-CD1 4.16Å; L1370-L1374 WeakPolarHBondContact O-CB 3.18Å; L1370-L1374 VanDerWaalsContact O-CG 3.29Å; L1370-L1374 WeakPolarHBondContact O-CG 3.32Å; L1370-L1374 PolarHBondContact O-N 2.85Å; A1371-L1374 PolarHBondContact O-N 2.79Å; L1374-S1376 VanDerWaalsContact C-N 3.32Å; L1374-S1376 PolarHBondContact O-N 3.31Å; L1374-I1377 PolarHBondContact O-N 3.37Å; L1374-G1378 PolarHBondContact O-N 3.42Å; L1374-G1378 VanDerWaalsContact O-N 3.16Å; L1374-N1431 HydrophobicContact CD1-CB 4.45Å; L1374-L1432 HydrophobicContact CD1-CB 4.15Å; L1374-L1432 HydrophobicContact CD1-CD1 4.4Å; L1374-L1432 HydrophobicContact CD2-CD1 3.89Å; L1374-V1468 HydrophobicContact CB-CG1 4.14Å |
| 1375 | Y | 83.2 | Confident | 74.8 | Confident | 91 Ų | 91 | 44.4 Ų | 44.4 | 36% | 0.357 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.6 | -41.5 | 176.1 | -178.3 | -104.4 | 0 | 0 | 0 | 111.7 | A1371 E1372 I1373 G1378 V1468 I1583 L1585 | A1371-Y1375 VanDerWaalsContact O-CB 3.31Å; A1371-Y1375 WeakPolarHBondContact O-CB 3.46Å; A1371-Y1375 PolarHBondContact O-N 3.34Å; E1372-Y1375 PolarHBondContact O-N 2.71Å; I1373-Y1375 VanDerWaalsContact C-N 3.28Å; I1373-Y1375 PolarHBondContact O-N 3.06Å; Y1375-G1378 PolarHBondContact O-N 2.98Å; Y1375-V1468 HydrophobicContact CD2-CG1 4.11Å; Y1375-V1468 HydrophobicContact CG-CG1 4.43Å; Y1375-V1468 VanDerWaalsContact N-CG1 3.35Å; Y1375-I1583 HydrophobicContact CD2-CD1 4.21Å; Y1375-I1583 HydrophobicContact CE2-CD1 4.16Å; Y1375-L1585 HydrophobicContact CD1-CD1 4.44Å; Y1375-L1585 HydrophobicContact CG-CD1 4.41Å |
| 1376 | S | 80.7 | Confident | 72.4 | Confident | 32 Ų | 32 | 49.1 Ų | 49.1 | 22% | 0.224 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -71.9 | -32.2 | 179.9 | 71.4 | 0 | 0 | 0 | 0 | 114.1 | Q1322 E1372 I1373 L1374 G1378 | Q1322-S1376 WeakPolarHBondContact CG-OG 3.47Å; E1372-S1376 WeakPolarHBondContact O-CB 3.5Å; E1372-S1376 PolarHBondContact O-N 2.96Å; E1372-S1376 PolarHBondContact O-OG 3.2Å; I1373-S1376 WeakPolarHBondContact CA-OG 3.35Å; I1373-S1376 PolarHBondContact O-N 3.01Å; I1373-S1376 VanDerWaalsContact O-N 3.09Å; I1373-S1376 PolarHBondContact O-OG 2.7Å; L1374-S1376 VanDerWaalsContact C-N 3.32Å; L1374-S1376 PolarHBondContact O-N 3.31Å; S1376-G1378 VanDerWaalsContact C-N 3.34Å |
| 1377 | I | 81.5 | Confident | 69.6 | Low | 15 Ų | 15 | 60.7 Ų | 60.7 | 8% | 0.077 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.9 | -40.2 | 174 | -68.5 | 171.9 | 0 | 0 | 0 | 110 | P1341 I1345 L1348 I1373 L1374 | P1341-I1377 HydrophobicContact CB-CG2 3.83Å; I1345-I1377 HydrophobicContact CD1-CG2 3.59Å; I1345-I1377 HydrophobicContact CG1-CD1 4.11Å; I1345-I1377 HydrophobicContact CG1-CG2 4.19Å; L1348-I1377 HydrophobicContact CD1-CD1 3.9Å; I1373-I1377 HydrophobicContact CG2-CD1 3.81Å; I1373-I1377 HydrophobicContact CG2-CG1 4.36Å; I1373-I1377 WeakPolarHBondContact O-CG1 3.4Å; I1373-I1377 PolarHBondContact O-N 2.82Å; L1374-I1377 PolarHBondContact O-N 3.37Å |
| 1378 | G | 78.9 | Confident | 67 | Low | 15 Ų | 15 | 67.6 Ų | 67.6 | 16% | 0.155 | 35% | 0.352 | C | S | . | . | trans | 70.4 | -170 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114 | L1374 Y1375 S1376 W1435 | L1374-G1378 PolarHBondContact O-N 3.42Å; L1374-G1378 VanDerWaalsContact O-N 3.16Å; Y1375-G1378 PolarHBondContact O-N 2.98Å; S1376-G1378 VanDerWaalsContact C-N 3.34Å; G1378-W1435 PolarHBondContact O-NE1 3.26Å | ||
| 1379 | P | 78.9 | Confident | 64.4 | Low | 37 Ų | 37 | 68.2 Ų | 68.2 | 24% | 0.24 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -76.5 | 161.3 | 177.6 | 32.2 | -35.4 | 0 | 0 | 0 | 112.1 | K1381 Q1438 I1469 P1470 S1473 | P1379-K1381 PolarHBondContact O-N 3.24Å; P1379-Q1438 VanDerWaalsContact CA-OE1 3.25Å; P1379-I1469 HydrophobicContact CB-CG2 4.17Å; P1379-P1470 HydrophobicContact CG-CG 4Å; P1379-S1473 VanDerWaalsContact CB-OG 3.26Å; P1379-S1473 WeakPolarHBondContact CB-OG 3.34Å |
| 1380 | I | 76.5 | Confident | 61.7 | Low | 17 Ų | 17 | 76.6 Ų | 76.6 | 9% | 0.087 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 124 | 168.3 | -66.9 | 173.9 | 0 | 0 | 0 | 108.3 | W1435 L1440 C1441 | I1380-W1435 HydrophobicContact CD1-CH2 3.56Å; I1380-W1435 HydrophobicContact CD1-CZ2 4.33Å; I1380-W1435 HydrophobicContact CD1-CZ3 3.79Å; I1380-W1435 HydrophobicContact CG1-CH2 3.22Å; I1380-W1435 HydrophobicContact CG1-CZ2 3.59Å; I1380-W1435 HydrophobicContact CG1-CZ3 3.98Å; I1380-L1440 HydrophobicContact CB-CD1 4.49Å; I1380-L1440 HydrophobicContact CG2-CB 4.22Å; I1380-L1440 HydrophobicContact CG2-CD1 4.2Å; I1380-L1440 VanDerWaalsContact O-CD1 3.31Å; I1380-L1440 WeakPolarHBondContact O-CD1 3.29Å; I1380-C1441 WeakPolarHBondContact CD1-SG 3.24Å |
| 1381 | K | 69.8 | Low | 59 | Low | 166 Ų | 166 | 84.6 Ų | 84.6 | 72% | 0.722 | 43% | 0.43 | S | S | * | . | P | Polyproline II helix | trans | -85.5 | 135.2 | 175.3 | -65.6 | 178.9 | -177 | 173.1 | 0 | 109.4 | P1379 S1383 | P1379-K1381 PolarHBondContact O-N 3.24Å; K1381-S1383 PolarHBondContact O-N 3.06Å |
| 1382 | P | 55.7 | Low | 56.6 | Low | 95 Ų | 95 | 88.1 Ų | 88.1 | 62% | 0.617 | 45% | 0.452 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 132.7 | 165.2 | 26.9 | -30.4 | 0 | 0 | 0 | 108.2 | S1384 | P1382-S1384 PolarHBondContact O-N 2.57Š|
| 1383 | S | 44.4 | Very low | 54.4 | Low | 86 Ų | 86 | 92.3 Ų | 92.3 | 60% | 0.601 | 48% | 0.475 | S | S | * | . | trans | -55.4 | 108.2 | 179.2 | 41.6 | 0 | 0 | 0 | 0 | 110.3 | K1381 | K1381-S1383 PolarHBondContact O-N 3.06Š| ||
| 1384 | S | 36.7 | Very low | 52.5 | Low | 122 Ų | 122 | 96.2 Ų | 96.2 | 85% | 0.853 | 50% | 0.5 | S | S | * | . | trans | -84.8 | -12.6 | 179.3 | 53.6 | 0 | 0 | 0 | 0 | 113.1 | P1382 | P1382-S1384 PolarHBondContact O-N 2.57Š| ||
| 1385 | T | 31.7 | Very low | 51.4 | Low | 93 Ų | 93 | 97.6 Ų | 97.6 | 57% | 0.571 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -97.1 | 131.7 | 172.1 | 37.9 | 0 | 0 | 0 | 0 | 109.8 | ||
| 1386 | F | 30.7 | Very low | 50.7 | Low | 148 Ų | 148 | 93.5 Ų | 93.5 | 65% | 0.649 | 49% | 0.494 | S | S | * | . | trans | 86.4 | 77.7 | -179.1 | -64.2 | -84 | 0 | 0 | 0 | 116.4 | F1074 N1388 | F1074-F1386 HydrophobicContact CZ-CD1 4.07Å; F1074-F1386 AromaticContact CZ-CE1 3.88Å; F1074-F1386 HydrophobicContact CZ-CE1 3.88Å; F1074-F1386 HydrophobicContact CZ-CG 4.48Å; F1074-F1386 HydrophobicContact CZ-CZ 4.14Å; F1386-N1388 PolarHBondContact O-N 2.64Å | ||
| 1387 | R | 27 | Very low | 50 | Low | 248 Ų | 248 | 96.3 Ų | 96.3 | 94% | 0.936 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -3.3 | 175.1 | -134.9 | 177.8 | -169.3 | -175.5 | 2.5 | 114.8 | ||
| 1388 | N | 30.7 | Very low | 49.2 | Very low | 148 Ų | 148 | 99.9 Ų | 99.9 | 79% | 0.791 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.6 | 3.4 | -168.1 | -80.1 | -0.2 | 0 | 0 | 0 | 116.3 | F1386 | F1386-N1388 PolarHBondContact O-N 2.64Š|
| 1389 | D | 28.6 | Very low | 48.7 | Very low | 78 Ų | 78 | 100 Ų | 100 | 42% | 0.417 | 52% | 0.523 | S | S | . | . | S | Bend | trans | -144.5 | 136.8 | 177.1 | -85.3 | -54.7 | 0 | 0 | 0 | 114 | K1077 | K1077-D1389 VanDerWaalsContact CE-CG 3.47Å; K1077-D1389 IonicContact NZ-OD1 3.22Å; K1077-D1389 PolarHBondContact NZ-OD1 3.19Å; K1077-D1389 IonicContact NZ-OD2 3.99Å; K1077-D1389 PolarHBondContact NZ-OD2 2.95Å |
| 1390 | K | 30.7 | Very low | 48 | Very low | 187 Ų | 187 | 103.9 Ų | 103.9 | 81% | 0.813 | 54% | 0.536 | S | S | * | . | trans | -61.8 | 126.2 | -163.1 | -63.8 | 166.6 | 176.2 | 174 | 0 | 113.5 | ||||
| 1391 | Q | 30.2 | Very low | 47.5 | Very low | 168 Ų | 168 | 105 Ų | 105 | 79% | 0.785 | 54% | 0.542 | S | S | * | . | trans | 42.8 | 71.2 | 151.8 | -62.1 | -178.9 | -5.3 | 0 | 0 | 118.4 | N1393 | Q1391-N1393 PolarHBondContact O-N 2.91Š| ||
| 1392 | T | 36.3 | Very low | 47.1 | Very low | 76 Ų | 76 | 98.2 Ų | 98.2 | 47% | 0.466 | 52% | 0.515 | S | S | . | . | trans | -93.2 | 83.3 | 154.7 | 49 | 0 | 0 | 0 | 0 | 108.8 | T1394 | T1392-T1394 PolarHBondContact O-N 3.45Š| ||
| 1393 | N | 37.4 | Very low | 47 | Very low | 113 Ų | 113 | 97.7 Ų | 97.7 | 60% | 0.604 | 51% | 0.51 | S | S | * | . | trans | -63.9 | 130.7 | 178.2 | -70.5 | -30 | 0 | 0 | 0 | 109.5 | Q1391 S1395 | Q1391-N1393 PolarHBondContact O-N 2.91Å; N1393-S1395 PolarHBondContact O-N 3.38Å | ||
| 1394 | T | 47.8 | Very low | 47.5 | Very low | 83 Ų | 83 | 97.9 Ų | 97.9 | 51% | 0.509 | 50% | 0.504 | S | S | . | . | trans | -63.7 | 62 | 158.9 | 40.5 | 0 | 0 | 0 | 0 | 109.8 | T1392 | T1392-T1394 PolarHBondContact O-N 3.45Š| ||
| 1395 | S | 61.6 | Low | 48.5 | Very low | 32 Ų | 32 | 94.2 Ų | 94.2 | 22% | 0.224 | 47% | 0.473 | C | S | . | . | trans | -83.1 | 130.9 | -176.7 | 61.4 | 0 | 0 | 0 | 0 | 109.7 | N1393 E1397 V1398 | N1393-S1395 PolarHBondContact O-N 3.38Å; S1395-E1397 PolarHBondContact O-N 3.19Å; S1395-V1398 PolarHBondContact O-N 2.93Å; S1395-V1398 VanDerWaalsContact O-N 3.07Å; S1395-V1398 WeakPolarHBondContact OG-CG2 3.47Å | ||
| 1396 | L | 68.4 | Low | 49.9 | Very low | 5 Ų | 5 | 95.4 Ų | 95.4 | 3% | 0.026 | 48% | 0.483 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -13.8 | 170.6 | -75.9 | 155.5 | 0 | 0 | 0 | 113.8 | V1342 V1346 Y1408 W1435 P1436 Y1445 | V1342-L1396 HydrophobicContact CG1-CD2 3.71Å; V1342-L1396 HydrophobicContact CG1-CG 4.11Å; V1346-L1396 HydrophobicContact CG2-CD2 4.01Å; L1396-Y1408 HydrophobicContact CB-CD1 3.77Å; L1396-Y1408 HydrophobicContact CB-CE1 4.16Å; L1396-Y1408 HydrophobicContact CB-CG 4.28Å; L1396-Y1408 HydrophobicContact CD1-CD1 4.22Å; L1396-Y1408 HydrophobicContact CD1-CE1 3.8Å; L1396-Y1408 HydrophobicContact CD2-CD1 4.16Å; L1396-Y1408 HydrophobicContact CD2-CE1 3.84Å; L1396-Y1408 HydrophobicContact CD2-CE2 4.4Å; L1396-Y1408 HydrophobicContact CG-CD1 4.28Å; L1396-Y1408 HydrophobicContact CG-CE1 4.16Å; L1396-Y1408 WeakPolarHBondContact O-CB 3.41Å; L1396-W1435 HydrophobicContact CD1-CZ3 4.13Å; L1396-W1435 HydrophobicContact CD2-CZ3 4.13Å; L1396-W1435 HydrophobicContact CG-CZ3 4.37Å; L1396-P1436 HydrophobicContact CD1-CB 4.02Å; L1396-P1436 HydrophobicContact CD1-CG 4.47Å; L1396-Y1445 HydrophobicContact CD1-CE2 4.05Å |
| 1397 | E | 67.3 | Low | 52.2 | Low | 90 Ų | 90 | 90.1 Ų | 90.1 | 42% | 0.421 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -26.7 | -178.2 | -60.7 | 172 | 172.6 | 0 | 0 | 112.8 | S1395 V1399 H1442 K1444 | S1395-E1397 PolarHBondContact O-N 3.19Å; E1397-V1399 VanDerWaalsContact C-N 3.31Å; E1397-H1442 IonicContact OE1-CG 3.34Å; E1397-K1444 VanDerWaalsContact CD-NZ 3.32Å; E1397-K1444 WeakPolarHBondContact OE1-CE 3.1Å; E1397-K1444 IonicContact OE1-NZ 3.82Å; E1397-K1444 PolarHBondContact OE1-NZ 2.93Å |
| 1398 | V | 63.5 | Low | 55 | Low | 90 Ų | 90 | 78.4 Ų | 78.4 | 55% | 0.545 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -15.1 | 179.9 | 178.3 | 0 | 0 | 0 | 0 | 111.2 | S1395 K1400 | S1395-V1398 PolarHBondContact O-N 2.93Å; S1395-V1398 VanDerWaalsContact O-N 3.07Å; S1395-V1398 WeakPolarHBondContact OG-CG2 3.47Å; V1398-K1400 PolarHBondContact O-N 3.01Å |
| 1399 | V | 68.2 | Low | 57.8 | Low | 17 Ų | 17 | 73.2 Ų | 73.2 | 10% | 0.103 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -65.5 | 122.4 | -179.7 | 179.9 | 0 | 0 | 0 | 0 | 110.1 | V1342 E1343 V1346 E1397 L1401 | V1342-V1399 HydrophobicContact CB-CG2 4.49Å; V1342-V1399 HydrophobicContact CG1-CG2 3.69Å; E1343-V1399 HydrophobicContact CG-CG1 4.07Å; V1346-V1399 HydrophobicContact CB-CG1 4.24Å; V1346-V1399 HydrophobicContact CG1-CG1 4.34Å; V1346-V1399 HydrophobicContact CG2-CB 4.25Å; V1346-V1399 HydrophobicContact CG2-CG1 3.84Å; V1346-V1399 HydrophobicContact CG2-CG2 4.38Å; E1397-V1399 VanDerWaalsContact C-N 3.31Å; V1399-L1401 PolarHBondContact O-N 2.98Å |
| 1400 | K | 64.6 | Low | 60.6 | Low | 120 Ų | 120 | 72.2 Ų | 72.2 | 52% | 0.522 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 124 | 174.7 | -65.2 | -168.5 | -178.9 | -166.9 | 0 | 109.4 | T1084 R1347 V1398 | T1084-K1400 PolarHBondContact O-NZ 3.41Å; R1347-K1400 PolarHBondContact NH2-O 3.39Å; V1398-K1400 PolarHBondContact O-N 3.01Å |
| 1401 | L | 66.6 | Low | 63.3 | Low | 39 Ų | 39 | 63.4 Ų | 63.4 | 20% | 0.204 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -98.2 | 155.3 | 176.2 | -71.8 | 159.9 | 0 | 0 | 0 | 110.2 | V1346 V1399 F1405 Y1408 L1411 | V1346-L1401 HydrophobicContact CG1-CD2 3.41Å; V1346-L1401 VanDerWaalsContact CG1-CD2 3.41Å; V1399-L1401 PolarHBondContact O-N 2.98Å; L1401-F1405 HydrophobicContact CB-CB 4.42Å; L1401-F1405 HydrophobicContact CD1-CB 4.25Å; L1401-Y1408 HydrophobicContact CD2-CD2 4.49Å; L1401-L1411 HydrophobicContact CD2-CD2 4.12Å |
| 1402 | P | 60.7 | Low | 66.2 | Low | 25 Ų | 25 | 55.4 Ų | 55.4 | 16% | 0.162 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -53.7 | 149.5 | 166.6 | -21.1 | 31.6 | 0 | 0 | 0 | 111.2 | I1285 L1350 N1404 | I1285-P1402 HydrophobicContact CG2-CG 4.26Å; L1350-P1402 HydrophobicContact CD1-CG 3.74Å; P1402-N1404 PolarHBondContact O-N 3.29Å |
| 1403 | V | 53.9 | Low | 68.8 | Low | 84 Ų | 84 | 53.1 Ų | 53.1 | 51% | 0.509 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | 138.5 | 179.8 | -166.3 | 0 | 0 | 0 | 0 | 110.1 | ||
| 1404 | N | 55.4 | Low | 71.2 | Confident | 90 Ų | 90 | 50 Ų | 50 | 48% | 0.481 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.4 | 1.8 | -178 | -59.6 | -11.9 | 0 | 0 | 0 | 118.5 | I1257 P1402 | I1257-N1404 WeakPolarHBondContact CD1-ND2 3.42Å; P1402-N1404 PolarHBondContact O-N 3.29Å |
| 1405 | F | 57.3 | Low | 73.2 | Confident | 45 Ų | 45 | 46 Ų | 46 | 20% | 0.197 | 25% | 0.252 | C | S | . | . | trans | -110.7 | 124 | 167 | -81.7 | -91.3 | 0 | 0 | 0 | 110.9 | Y1288 L1401 S1407 D1410 | Y1288-F1405 HydrophobicContact CE1-CD2 4.35Å; Y1288-F1405 AromaticContact CE1-CE2 3.74Å; Y1288-F1405 HydrophobicContact CE1-CE2 3.74Å; Y1288-F1405 HydrophobicContact CE1-CZ 4.47Å; Y1288-F1405 AromaticContact CZ-CE2 3.73Å; Y1288-F1405 WeakPolarHBondContact OH-CE2 3.28Å; Y1288-F1405 WeakPolarHBondContact OH-CZ 3.39Å; L1401-F1405 HydrophobicContact CB-CB 4.42Å; L1401-F1405 HydrophobicContact CD1-CB 4.25Å; F1405-S1407 VanDerWaalsContact C-N 3.3Å; F1405-D1410 HydrophobicContact CD1-CB 4.03Å; F1405-D1410 HydrophobicContact CE1-CB 4.3Å | ||
| 1406 | P | 60.8 | Low | 74.6 | Confident | 118 Ų | 118 | 44.5 Ų | 44.5 | 77% | 0.766 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -73.4 | -29 | 177.7 | 25.9 | -25.5 | 0 | 0 | 0 | 110.9 | D1410 | P1406-D1410 VanDerWaalsContact CG-OD2 3.31Å; P1406-D1410 WeakPolarHBondContact CG-OD2 3.09Å |
| 1407 | S | 79.6 | Confident | 75.6 | Confident | 36 Ų | 36 | 47.4 Ų | 47.4 | 25% | 0.252 | 26% | 0.257 | S | S | . | . | trans | -154.1 | 159.5 | -179.4 | 79.7 | 0 | 0 | 0 | 0 | 113.8 | F1405 Y1409 D1410 | F1405-S1407 VanDerWaalsContact C-N 3.3Å; S1407-Y1409 PolarHBondContact O-N 3.46Å; S1407-Y1409 WeakPolarHBondContact OG-CB 3.49Å; S1407-Y1409 PolarHBondContact OG-N 3.32Å; S1407-D1410 PolarHBondContact N-OD2 2.97Å; S1407-D1410 PolarHBondContact O-N 3.01Å; S1407-D1410 PolarHBondContact OG-OD2 3.3Å | ||
| 1408 | Y | 85.9 | Confident | 76.6 | Confident | 3 Ų | 3 | 44.3 Ų | 44.3 | 1% | 0.012 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.2 | -20 | 172.2 | 177.2 | -99.3 | 0 | 0 | 0 | 111.5 | V1346 L1396 L1401 D1410 L1411 Y1412 P1436 Y1445 | V1346-Y1408 HydrophobicContact CB-CD2 4.27Å; V1346-Y1408 HydrophobicContact CB-CE2 4.15Å; V1346-Y1408 HydrophobicContact CG1-CD2 3.99Å; V1346-Y1408 HydrophobicContact CG1-CE2 4.23Å; V1346-Y1408 HydrophobicContact CG2-CD2 3.63Å; V1346-Y1408 HydrophobicContact CG2-CE2 3.62Å; V1346-Y1408 HydrophobicContact CG2-CG 4.49Å; L1396-Y1408 HydrophobicContact CB-CD1 3.77Å; L1396-Y1408 HydrophobicContact CB-CE1 4.16Å; L1396-Y1408 HydrophobicContact CB-CG 4.28Å; L1396-Y1408 HydrophobicContact CD1-CD1 4.22Å; L1396-Y1408 HydrophobicContact CD1-CE1 3.8Å; L1396-Y1408 HydrophobicContact CD2-CD1 4.16Å; L1396-Y1408 HydrophobicContact CD2-CE1 3.84Å; L1396-Y1408 HydrophobicContact CD2-CE2 4.4Å; L1396-Y1408 HydrophobicContact CG-CD1 4.28Å; L1396-Y1408 HydrophobicContact CG-CE1 4.16Å; L1396-Y1408 WeakPolarHBondContact O-CB 3.41Å; L1401-Y1408 HydrophobicContact CD2-CD2 4.49Å; Y1408-D1410 VanDerWaalsContact C-N 3.34Å; Y1408-D1410 PolarHBondContact O-N 3.31Å; Y1408-L1411 HydrophobicContact CD2-CB 4.44Å; Y1408-L1411 HydrophobicContact CD2-CD2 3.8Å; Y1408-L1411 HydrophobicContact CE2-CD2 3.87Å; Y1408-L1411 PolarHBondContact O-N 3.1Å; Y1408-Y1412 WeakPolarHBondContact O-CB 3.16Å; Y1408-Y1412 PolarHBondContact O-N 2.76Å; Y1408-P1436 HydrophobicContact CE1-CB 4.38Å; Y1408-P1436 HydrophobicContact CE1-CG 4.09Å; Y1408-P1436 WeakPolarHBondContact OH-CG 3.46Å; Y1408-Y1445 AromaticContact CD1-CE1 3.6Å; Y1408-Y1445 HydrophobicContact CD1-CE1 3.6Å; Y1408-Y1445 AromaticContact CD1-CZ 3.71Å; Y1408-Y1445 WeakPolarHBondContact CD1-OH 3.42Å; Y1408-Y1445 AromaticContact CE1-CE1 3.92Å; Y1408-Y1445 HydrophobicContact CE1-CE1 3.92Å |
| 1409 | Y | 89.1 | Confident | 77.7 | Confident | 39 Ų | 39 | 40.1 Ų | 40.1 | 15% | 0.153 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.3 | -45.5 | 175.8 | -175.4 | -100.2 | 0 | 0 | 0 | 111.2 | S1407 L1411 Y1412 I1413 K1444 Y1445 A1448 E1452 | S1407-Y1409 PolarHBondContact O-N 3.46Å; S1407-Y1409 WeakPolarHBondContact OG-CB 3.49Å; S1407-Y1409 PolarHBondContact OG-N 3.32Å; Y1409-L1411 VanDerWaalsContact C-N 3.33Å; Y1409-L1411 PolarHBondContact O-N 3.25Å; Y1409-Y1412 WeakPolarHBondContact O-CB 3.14Å; Y1409-Y1412 PolarHBondContact O-N 3.39Å; Y1409-Y1412 VanDerWaalsContact O-N 3.11Å; Y1409-I1413 HydrophobicContact CD1-CG1 4.1Å; Y1409-I1413 HydrophobicContact CE1-CD1 4.06Å; Y1409-I1413 HydrophobicContact CE1-CG1 3.82Å; Y1409-I1413 HydrophobicContact CE2-CD1 4.43Å; Y1409-I1413 WeakPolarHBondContact O-CG1 3.41Å; Y1409-I1413 PolarHBondContact O-N 3.4Å; Y1409-K1444 HydrophobicContact CD2-CB 4.23Å; Y1409-K1444 HydrophobicContact CD2-CD 3.76Å; Y1409-K1444 HydrophobicContact CD2-CG 3.74Å; Y1409-K1444 HydrophobicContact CE2-CB 3.96Å; Y1409-K1444 HydrophobicContact CE2-CD 4.32Å; Y1409-K1444 HydrophobicContact CE2-CG 3.99Å; Y1409-K1444 HydrophobicContact CG-CD 4.4Å; Y1409-Y1445 HydrophobicContact CD2-CD1 4.14Å; Y1409-Y1445 HydrophobicContact CD2-CE1 4.1Å; Y1409-A1448 HydrophobicContact CE2-CB 3.89Å; Y1409-A1448 WeakPolarHBondContact OH-CB 3.49Å; Y1409-E1452 PolarHBondContact OH-OE2 2.78Å |
| 1410 | D | 87.8 | Confident | 78.6 | Confident | 57 Ų | 57 | 42.6 Ų | 42.6 | 31% | 0.305 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -66.2 | -39.3 | -178.9 | -50.9 | -60.5 | 0 | 0 | 0 | 111.4 | F1405 P1406 S1407 Y1408 Y1412 I1413 D1414 | F1405-D1410 HydrophobicContact CD1-CB 4.03Å; F1405-D1410 HydrophobicContact CE1-CB 4.3Å; P1406-D1410 VanDerWaalsContact CG-OD2 3.31Å; P1406-D1410 WeakPolarHBondContact CG-OD2 3.09Å; S1407-D1410 PolarHBondContact N-OD2 2.97Å; S1407-D1410 PolarHBondContact O-N 3.01Å; S1407-D1410 PolarHBondContact OG-OD2 3.3Å; Y1408-D1410 VanDerWaalsContact C-N 3.34Å; Y1408-D1410 PolarHBondContact O-N 3.31Å; D1410-Y1412 VanDerWaalsContact C-N 3.31Å; D1410-Y1412 PolarHBondContact O-N 3.07Å; D1410-I1413 PolarHBondContact O-N 2.87Å; D1410-D1414 PolarHBondContact O-N 3.42Å |
| 1411 | L | 87.1 | Confident | 79.5 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.4 | -40.7 | 172.7 | -173.5 | 73.8 | 0 | 0 | 0 | 111.8 | Y1288 V1346 T1349 L1350 I1353 L1401 Y1408 Y1409 D1414 L1415 | Y1288-L1411 HydrophobicContact CE2-CD1 4.36Å; V1346-L1411 HydrophobicContact CG1-CD2 4.1Å; T1349-L1411 VanDerWaalsContact OG1-CD2 3.25Å; T1349-L1411 WeakPolarHBondContact OG1-CD2 3.32Å; L1350-L1411 HydrophobicContact CD2-CD1 3.45Å; L1350-L1411 VanDerWaalsContact CD2-CD1 3.45Å; L1350-L1411 HydrophobicContact CD2-CD2 4.1Å; L1350-L1411 HydrophobicContact CD2-CG 4.44Å; L1350-L1411 HydrophobicContact CG-CD1 4.2Å; L1350-L1411 HydrophobicContact CG-CD2 4.07Å; I1353-L1411 HydrophobicContact CD1-CD1 3.6Å; I1353-L1411 HydrophobicContact CD1-CG 4.01Å; I1353-L1411 WeakPolarHBondContact CD1-O 3.33Å; L1401-L1411 HydrophobicContact CD2-CD2 4.12Å; Y1408-L1411 HydrophobicContact CD2-CB 4.44Å; Y1408-L1411 HydrophobicContact CD2-CD2 3.8Å; Y1408-L1411 HydrophobicContact CE2-CD2 3.87Å; Y1408-L1411 PolarHBondContact O-N 3.1Å; Y1409-L1411 VanDerWaalsContact C-N 3.33Å; Y1409-L1411 PolarHBondContact O-N 3.25Å; L1411-D1414 WeakPolarHBondContact O-CB 3.22Å; L1411-D1414 PolarHBondContact O-N 3.04Å; L1411-L1415 PolarHBondContact O-N 3.15Å |
| 1412 | Y | 91.4 | Very high | 80.2 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.6 | -37.8 | 176.2 | 176.6 | -104.1 | 0 | 0 | 0 | 112.3 | Y1408 Y1409 D1410 L1415 V1416 V1433 P1436 C1437 Y1445 A1448 | Y1408-Y1412 WeakPolarHBondContact O-CB 3.16Å; Y1408-Y1412 PolarHBondContact O-N 2.76Å; Y1409-Y1412 WeakPolarHBondContact O-CB 3.14Å; Y1409-Y1412 PolarHBondContact O-N 3.39Å; Y1409-Y1412 VanDerWaalsContact O-N 3.11Å; D1410-Y1412 VanDerWaalsContact C-N 3.31Å; D1410-Y1412 PolarHBondContact O-N 3.07Å; Y1412-L1415 HydrophobicContact CD2-CD2 4.32Å; Y1412-L1415 WeakPolarHBondContact O-CB 3.23Å; Y1412-L1415 PolarHBondContact O-N 3.19Å; Y1412-V1416 HydrophobicContact CD1-CG2 4.22Å; Y1412-V1416 HydrophobicContact CD2-CG2 4.46Å; Y1412-V1416 HydrophobicContact CE1-CG2 3.77Å; Y1412-V1416 HydrophobicContact CE2-CG2 4.02Å; Y1412-V1416 WeakPolarHBondContact O-CG2 3.2Å; Y1412-V1416 PolarHBondContact O-N 3.47Å; Y1412-V1433 WeakPolarHBondContact CE2-O 3.38Å; Y1412-V1433 PolarHBondContact OH-O 2.93Å; Y1412-P1436 HydrophobicContact CD2-CB 4.2Å; Y1412-P1436 HydrophobicContact CD2-CG 3.78Å; Y1412-P1436 HydrophobicContact CE2-CB 4.03Å; Y1412-P1436 HydrophobicContact CE2-CG 3.77Å; Y1412-C1437 PolarHBondContact OH-SG 3.17Å; Y1412-Y1445 AromaticContact CD1-CD1 3.69Å; Y1412-Y1445 HydrophobicContact CD1-CD1 3.69Å; Y1412-Y1445 HydrophobicContact CE1-CD1 4.18Å; Y1412-Y1445 AromaticContact CG-CD1 3.88Å; Y1412-Y1445 HydrophobicContact CG-CD1 3.88Å; Y1412-Y1445 HydrophobicContact CG-CE1 4.49Å; Y1412-A1448 HydrophobicContact CE1-CB 4.18Å |
| 1413 | I | 90.8 | Very high | 81.1 | Confident | 28 Ų | 28 | 39.5 Ų | 39.5 | 14% | 0.144 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.4 | -44.6 | 173 | -63.8 | -54.9 | 0 | 0 | 0 | 110.6 | Y1409 D1410 L1415 V1416 N1417 A1448 | Y1409-I1413 HydrophobicContact CD1-CG1 4.1Å; Y1409-I1413 HydrophobicContact CE1-CD1 4.06Å; Y1409-I1413 HydrophobicContact CE1-CG1 3.82Å; Y1409-I1413 HydrophobicContact CE2-CD1 4.43Å; Y1409-I1413 WeakPolarHBondContact O-CG1 3.41Å; Y1409-I1413 PolarHBondContact O-N 3.4Å; D1410-I1413 PolarHBondContact O-N 2.87Å; I1413-L1415 VanDerWaalsContact C-N 3.29Å; I1413-L1415 PolarHBondContact O-N 3.27Å; I1413-V1416 PolarHBondContact O-N 3.14Å; I1413-N1417 WeakPolarHBondContact O-CB 3.44Å; I1413-N1417 PolarHBondContact O-N 3.39Å; I1413-N1417 PolarHBondContact O-ND2 3.47Å; I1413-A1448 HydrophobicContact CD1-CB 3.69Å |
| 1414 | D | 87.5 | Confident | 82.3 | Confident | 48 Ų | 48 | 42.8 Ų | 42.8 | 26% | 0.257 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -57.6 | -42.9 | 173.7 | -86.1 | 4.6 | 0 | 0 | 0 | 111.2 | K1292 I1353 D1410 L1411 N1417 H1418 | K1292-D1414 IonicContact NZ-OD2 2.9Å; K1292-D1414 PolarHBondContact NZ-OD2 3.3Å; I1353-D1414 HydrophobicContact CD1-CB 4.03Å; I1353-D1414 HydrophobicContact CG2-CB 4.5Å; D1410-D1414 PolarHBondContact O-N 3.42Å; L1411-D1414 WeakPolarHBondContact O-CB 3.22Å; L1411-D1414 PolarHBondContact O-N 3.04Å; D1414-N1417 PolarHBondContact O-N 3.35Å; D1414-H1418 VanDerWaalsContact O-CB 3.23Å; D1414-H1418 WeakPolarHBondContact O-CB 3.48Å; D1414-H1418 PolarHBondContact O-N 3.24Å |
| 1415 | L | 90.1 | Very high | 83.4 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.2 | -45.6 | 175.7 | -173.9 | 74.6 | 0 | 0 | 0 | 112.5 | T1349 I1353 L1411 Y1412 I1413 H1418 Y1419 F1429 L1432 V1433 | T1349-L1415 HydrophobicContact CG2-CD1 4.38Å; T1349-L1415 HydrophobicContact CG2-CD2 3.76Å; I1353-L1415 HydrophobicContact CD1-CB 4.07Å; I1353-L1415 HydrophobicContact CD1-CD1 4.42Å; I1353-L1415 HydrophobicContact CG1-CB 4.26Å; I1353-L1415 HydrophobicContact CG1-CD1 3.99Å; L1411-L1415 PolarHBondContact O-N 3.15Å; Y1412-L1415 HydrophobicContact CD2-CD2 4.32Å; Y1412-L1415 WeakPolarHBondContact O-CB 3.23Å; Y1412-L1415 PolarHBondContact O-N 3.19Å; I1413-L1415 VanDerWaalsContact C-N 3.29Å; I1413-L1415 PolarHBondContact O-N 3.27Å; L1415-H1418 PolarHBondContact O-N 3.08Å; L1415-Y1419 WeakPolarHBondContact O-CB 3.37Å; L1415-Y1419 PolarHBondContact O-N 3.01Å; L1415-F1429 HydrophobicContact CD1-CE1 3.58Å; L1415-F1429 HydrophobicContact CD1-CZ 3.86Å; L1415-F1429 HydrophobicContact CG-CE1 4.08Å; L1415-L1432 HydrophobicContact CD1-CD2 3.99Å; L1415-L1432 HydrophobicContact CD2-CG 4.25Å; L1415-V1433 HydrophobicContact CD2-CG2 4.17Å; L1415-V1433 HydrophobicContact CG-CG2 4.2Å |
| 1416 | V | 91.6 | Very high | 84.8 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.3 | -42.7 | 179.8 | 169 | 0 | 0 | 0 | 0 | 110.7 | Y1412 I1413 Y1419 N1420 V1433 L1449 H1453 V1456 | Y1412-V1416 HydrophobicContact CD1-CG2 4.22Å; Y1412-V1416 HydrophobicContact CD2-CG2 4.46Å; Y1412-V1416 HydrophobicContact CE1-CG2 3.77Å; Y1412-V1416 HydrophobicContact CE2-CG2 4.02Å; Y1412-V1416 WeakPolarHBondContact O-CG2 3.2Å; Y1412-V1416 PolarHBondContact O-N 3.47Å; I1413-V1416 PolarHBondContact O-N 3.14Å; V1416-Y1419 PolarHBondContact O-N 3.43Å; V1416-N1420 PolarHBondContact O-N 3.19Å; V1416-V1433 HydrophobicContact CG2-CG1 4.14Å; V1416-L1449 HydrophobicContact CG1-CD1 4.35Å; V1416-L1449 HydrophobicContact CG2-CD1 4.42Å; V1416-H1453 HydrophobicContact CG1-CB 3.73Å; V1416-V1456 HydrophobicContact CG1-CB 4.42Å; V1416-V1456 HydrophobicContact CG1-CG1 4.35Å; V1416-V1456 HydrophobicContact CG1-CG2 3.87Å |
| 1417 | N | 89 | Confident | 85.9 | Confident | 66 Ų | 66 | 34.2 Ų | 34.2 | 35% | 0.353 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -64.8 | -43 | 175.7 | -72 | -31.2 | 0 | 0 | 0 | 111.5 | I1413 D1414 Y1419 N1420 A1421 H1453 | I1413-N1417 WeakPolarHBondContact O-CB 3.44Å; I1413-N1417 PolarHBondContact O-N 3.39Å; I1413-N1417 PolarHBondContact O-ND2 3.47Å; D1414-N1417 PolarHBondContact O-N 3.35Å; N1417-Y1419 VanDerWaalsContact C-N 3.34Å; N1417-Y1419 PolarHBondContact O-N 2.93Å; N1417-N1420 PolarHBondContact O-N 2.92Å; N1417-A1421 WeakPolarHBondContact O-CB 3.47Å; N1417-A1421 PolarHBondContact O-N 3.42Å; N1417-H1453 PolarHBondContact OD1-CE1 2.94Å; N1417-H1453 PolarHBondContact OD1-ND1 3.26Å |
| 1418 | H | 87.1 | Confident | 86.2 | Confident | 25 Ų | 25 | 32.7 Ų | 32.7 | 12% | 0.116 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.9 | -42.6 | 176.4 | -165.8 | 92.1 | 0 | 0 | 0 | 111.5 | Y1355 D1414 L1415 N1420 A1421 L1422 F1429 | Y1355-H1418 PolarHBondContact O-CE1 2.86Å; Y1355-H1418 PolarHBondContact O-NE2 3.41Å; D1414-H1418 VanDerWaalsContact O-CB 3.23Å; D1414-H1418 WeakPolarHBondContact O-CB 3.48Å; D1414-H1418 PolarHBondContact O-N 3.24Å; L1415-H1418 PolarHBondContact O-N 3.08Å; H1418-N1420 PolarHBondContact O-N 3.42Å; H1418-A1421 PolarHBondContact O-N 2.96Å; H1418-L1422 PolarHBondContact O-N 3.22Å; H1418-F1429 AromaticContact CD2-CE2 3.9Å; H1418-F1429 AromaticContact CD2-CZ 3.72Å |
| 1419 | Y | 88.1 | Confident | 86.3 | Confident | 1 Ų | 1 | 32.5 Ų | 32.5 | 0% | 0.004 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.1 | -46.3 | 174.2 | 177.6 | -89.4 | 0 | 0 | 0 | 111.3 | L1415 V1416 N1417 A1421 S1423 F1429 A1430 V1433 V1456 S1459 L1460 | L1415-Y1419 WeakPolarHBondContact O-CB 3.37Å; L1415-Y1419 PolarHBondContact O-N 3.01Å; V1416-Y1419 PolarHBondContact O-N 3.43Å; N1417-Y1419 VanDerWaalsContact C-N 3.34Å; N1417-Y1419 PolarHBondContact O-N 2.93Å; Y1419-A1421 VanDerWaalsContact C-N 3.28Å; Y1419-A1421 PolarHBondContact O-N 2.99Å; Y1419-S1423 VanDerWaalsContact CD2-OG 3.3Å; Y1419-S1423 WeakPolarHBondContact CD2-OG 3.37Å; Y1419-S1423 VanDerWaalsContact CE2-CB 3.48Å; Y1419-S1423 VanDerWaalsContact CE2-OG 3.27Å; Y1419-S1423 WeakPolarHBondContact CE2-OG 3.44Å; Y1419-S1423 WeakPolarHBondContact O-CB 3.48Å; Y1419-S1423 PolarHBondContact O-N 3.12Å; Y1419-S1423 VanDerWaalsContact O-N 3.15Å; Y1419-S1423 PolarHBondContact O-OG 2.9Å; Y1419-F1429 HydrophobicContact CD2-CB 3.94Å; Y1419-F1429 AromaticContact CD2-CD1 3.49Å; Y1419-F1429 HydrophobicContact CD2-CD1 3.49Å; Y1419-F1429 VanDerWaalsContact CD2-CD1 3.49Å; Y1419-F1429 HydrophobicContact CD2-CE1 4.21Å; Y1419-F1429 AromaticContact CD2-CG 3.86Å; Y1419-F1429 HydrophobicContact CD2-CG 3.86Å; Y1419-F1429 HydrophobicContact CE2-CB 4.12Å; Y1419-F1429 HydrophobicContact CE2-CD1 4.43Å; Y1419-F1429 HydrophobicContact CG-CD1 4.26Å; Y1419-A1430 HydrophobicContact CE2-CB 4.04Å; Y1419-V1433 HydrophobicContact CD2-CG2 4.06Å; Y1419-V1433 HydrophobicContact CG-CG2 3.99Å; Y1419-V1456 HydrophobicContact CD1-CG1 3.58Å; Y1419-V1456 HydrophobicContact CE1-CG1 3.99Å; Y1419-S1459 PolarHBondContact OH-O 2.91Å; Y1419-L1460 HydrophobicContact CD1-CD2 4.43Å; Y1419-L1460 HydrophobicContact CE1-CD2 3.66Å; Y1419-L1460 HydrophobicContact CE1-CG 3.83Å; Y1419-L1460 HydrophobicContact CE2-CD2 4.26Å |
| 1420 | N | 86.6 | Confident | 86.3 | Confident | 70 Ų | 70 | 30.7 Ų | 30.7 | 37% | 0.374 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -62.9 | -35.9 | -179.5 | -165.9 | 39.2 | 0 | 0 | 0 | 112.9 | V1416 N1417 H1418 V1456 | V1416-N1420 PolarHBondContact O-N 3.19Å; N1417-N1420 PolarHBondContact O-N 2.92Å; H1418-N1420 PolarHBondContact O-N 3.42Å; N1420-V1456 HydrophobicContact CB-CG2 3.72Å |
| 1421 | A | 83.7 | Confident | 86.4 | Confident | 73 Ų | 73 | 28.1 Ų | 28.1 | 60% | 0.603 | 15% | 0.149 | S | C | * | . | H | α-helix | trans | -79.7 | -45 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | N1417 H1418 Y1419 | N1417-A1421 WeakPolarHBondContact O-CB 3.47Å; N1417-A1421 PolarHBondContact O-N 3.42Å; H1418-A1421 PolarHBondContact O-N 2.96Å; Y1419-A1421 VanDerWaalsContact C-N 3.28Å; Y1419-A1421 PolarHBondContact O-N 2.99Å |
| 1422 | L | 80.9 | Confident | 86.6 | Confident | 41 Ų | 41 | 28 Ų | 28 | 22% | 0.215 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -132.9 | 5.2 | -161.1 | -61.4 | 174.5 | 0 | 0 | 0 | 115.5 | G1359 H1418 Y1424 | G1359-L1422 CarbonylContact C-O 3.54Å; G1359-L1422 WeakPolarHBondContact CA-O 3.31Å; G1359-L1422 PolarHBondContact N-O 3.45Å; H1418-L1422 PolarHBondContact O-N 3.22Å; L1422-Y1424 VanDerWaalsContact O-CD2 3.29Å; L1422-Y1424 WeakPolarHBondContact O-CD2 3.18Å |
| 1423 | S | 78.7 | Confident | 86.6 | Confident | 4 Ų | 4 | 28 Ų | 28 | 3% | 0.028 | 15% | 0.149 | C | C | . | . | trans | -80.4 | -16.4 | -174.3 | 66.9 | 0 | 0 | 0 | 0 | 116.5 | F1363 Y1419 N1425 S1426 | F1363-S1423 WeakPolarHBondContact CE2-O 3.14Å; F1363-S1423 WeakPolarHBondContact CZ-O 3.27Å; Y1419-S1423 VanDerWaalsContact CD2-OG 3.3Å; Y1419-S1423 WeakPolarHBondContact CD2-OG 3.37Å; Y1419-S1423 VanDerWaalsContact CE2-CB 3.48Å; Y1419-S1423 VanDerWaalsContact CE2-OG 3.27Å; Y1419-S1423 WeakPolarHBondContact CE2-OG 3.44Å; Y1419-S1423 WeakPolarHBondContact O-CB 3.48Å; Y1419-S1423 PolarHBondContact O-N 3.12Å; Y1419-S1423 VanDerWaalsContact O-N 3.15Å; Y1419-S1423 PolarHBondContact O-OG 2.9Å; S1423-N1425 PolarHBondContact O-N 3.34Å; S1423-N1425 VanDerWaalsContact O-N 3.08Å; S1423-N1425 PolarHBondContact OG-N 3.48Å; S1423-S1426 WeakPolarHBondContact O-CB 3.44Å; S1423-S1426 PolarHBondContact O-N 3.36Å | ||
| 1424 | Y | 79.2 | Confident | 86.6 | Confident | 153 Ų | 153 | 26.8 Ų | 26.8 | 60% | 0.6 | 14% | 0.143 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.6 | 35.7 | -172.6 | -64 | -92.7 | 0 | 0 | 0 | 114.2 | A1358 G1359 L1422 S1426 | A1358-Y1424 HydrophobicContact CB-CE2 3.49Å; A1358-Y1424 VanDerWaalsContact CB-CE2 3.49Å; A1358-Y1424 VanDerWaalsContact CB-OH 3.31Å; A1358-Y1424 WeakPolarHBondContact CB-OH 3.5Å; G1359-Y1424 VanDerWaalsContact N-CE2 3.35Å; L1422-Y1424 VanDerWaalsContact O-CD2 3.29Å; L1422-Y1424 WeakPolarHBondContact O-CD2 3.18Å; Y1424-S1426 PolarHBondContact O-N 3Å |
| 1425 | N | 79.8 | Confident | 86.8 | Confident | 68 Ų | 68 | 24.7 Ų | 24.7 | 36% | 0.364 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 30.7 | -177.6 | -49.1 | -28.2 | 0 | 0 | 0 | 113.8 | S1423 S1459 | S1423-N1425 PolarHBondContact O-N 3.34Å; S1423-N1425 VanDerWaalsContact O-N 3.08Å; S1423-N1425 PolarHBondContact OG-N 3.48Å; N1425-S1459 WeakPolarHBondContact CB-O 3.4Å; N1425-S1459 VanDerWaalsContact OD1-CA 3.25Å; N1425-S1459 WeakPolarHBondContact OD1-CA 3.25Å; N1425-S1459 WeakPolarHBondContact OD1-CB 3.38Å; N1425-S1459 PolarHBondContact OD1-O 3.39Å; N1425-S1459 VanDerWaalsContact OD1-O 3.05Å |
| 1426 | S | 85.4 | Confident | 86.9 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.131 | C | C | . | . | trans | -56 | 126.4 | 175.8 | 169.8 | 0 | 0 | 0 | 0 | 110.9 | G1362 S1423 Y1424 V1428 F1429 A1430 | G1362-S1426 PolarHBondContact O-OG 3.31Å; S1423-S1426 WeakPolarHBondContact O-CB 3.44Å; S1423-S1426 PolarHBondContact O-N 3.36Å; Y1424-S1426 PolarHBondContact O-N 3Å; S1426-V1428 VanDerWaalsContact C-N 3.26Å; S1426-V1428 PolarHBondContact O-N 2.74Å; S1426-V1428 PolarHBondContact OG-N 2.94Å; S1426-F1429 PolarHBondContact O-N 3.49Å; S1426-F1429 PolarHBondContact OG-N 2.73Å; S1426-A1430 WeakPolarHBondContact O-CB 3.37Å; S1426-A1430 PolarHBondContact O-N 2.9Å | ||
| 1427 | P | 84.1 | Confident | 86.9 | Confident | 6 Ų | 6 | 24.9 Ų | 24.9 | 4% | 0.039 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -67.6 | -28.8 | 178 | 28.4 | -34.9 | 0 | 0 | 0 | 111.8 | N1431 Q1466 L1589 V1591 | P1427-N1431 PolarHBondContact O-N 2.95Å; P1427-N1431 VanDerWaalsContact O-N 3.12Å; P1427-N1431 PolarHBondContact O-ND2 2.98Å; P1427-Q1466 HydrophobicContact CB-CB 4.37Å; P1427-L1589 HydrophobicContact CB-CD2 3.83Å; P1427-L1589 HydrophobicContact CG-CD2 4.03Å; P1427-V1591 HydrophobicContact CG-CG2 4.08Å |
| 1428 | V | 86.6 | Confident | 87 | Confident | 3 Ų | 3 | 21.9 Ų | 21.9 | 2% | 0.018 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -68.3 | -49.9 | 176.9 | -178.3 | 0 | 0 | 0 | 0 | 110.4 | G1367 L1370 A1371 S1426 A1430 N1431 L1432 L1589 | G1367-V1428 WeakPolarHBondContact O-CG1 3.47Å; L1370-V1428 HydrophobicContact CB-CG1 4.01Å; L1370-V1428 HydrophobicContact CD2-CG1 3.88Å; L1370-V1428 HydrophobicContact CG-CG1 3.94Å; A1371-V1428 HydrophobicContact CB-CG1 4.03Å; A1371-V1428 HydrophobicContact CB-CG2 4.07Å; S1426-V1428 VanDerWaalsContact C-N 3.26Å; S1426-V1428 PolarHBondContact O-N 2.74Å; S1426-V1428 PolarHBondContact OG-N 2.94Å; V1428-A1430 VanDerWaalsContact C-N 3.28Å; V1428-A1430 PolarHBondContact O-N 2.91Å; V1428-N1431 WeakPolarHBondContact O-CB 3.34Å; V1428-N1431 PolarHBondContact O-N 3.27Å; V1428-N1431 VanDerWaalsContact O-N 3.14Å; V1428-L1432 PolarHBondContact O-N 2.74Å; V1428-L1589 HydrophobicContact CG2-CB 4.01Å; V1428-L1589 HydrophobicContact CG2-CD1 4.33Å; V1428-L1589 HydrophobicContact CG2-CD2 4.36Å; V1428-L1589 HydrophobicContact CG2-CG 4.48Å |
| 1429 | F | 88 | Confident | 87.2 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.9 | -38 | 178 | -151.7 | -51.2 | 0 | 0 | 0 | 110.5 | L1415 H1418 Y1419 S1426 N1431 L1432 V1433 | L1415-F1429 HydrophobicContact CD1-CE1 3.58Å; L1415-F1429 HydrophobicContact CD1-CZ 3.86Å; L1415-F1429 HydrophobicContact CG-CE1 4.08Å; H1418-F1429 AromaticContact CD2-CE2 3.9Å; H1418-F1429 AromaticContact CD2-CZ 3.72Å; Y1419-F1429 HydrophobicContact CD2-CB 3.94Å; Y1419-F1429 AromaticContact CD2-CD1 3.49Å; Y1419-F1429 HydrophobicContact CD2-CD1 3.49Å; Y1419-F1429 VanDerWaalsContact CD2-CD1 3.49Å; Y1419-F1429 HydrophobicContact CD2-CE1 4.21Å; Y1419-F1429 AromaticContact CD2-CG 3.86Å; Y1419-F1429 HydrophobicContact CD2-CG 3.86Å; Y1419-F1429 HydrophobicContact CE2-CB 4.12Å; Y1419-F1429 HydrophobicContact CE2-CD1 4.43Å; Y1419-F1429 HydrophobicContact CG-CD1 4.26Å; S1426-F1429 PolarHBondContact O-N 3.49Å; S1426-F1429 PolarHBondContact OG-N 2.73Å; F1429-N1431 VanDerWaalsContact C-N 3.29Å; F1429-N1431 PolarHBondContact O-N 2.85Å; F1429-L1432 WeakPolarHBondContact O-CB 3.47Å; F1429-L1432 PolarHBondContact O-N 2.9Å; F1429-V1433 HydrophobicContact CD1-CG2 3.96Å; F1429-V1433 HydrophobicContact CE1-CG2 4.1Å; F1429-V1433 PolarHBondContact O-N 3.11Å |
| 1430 | A | 89.5 | Confident | 87 | Confident | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.008 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -57.6 | -39.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y1419 S1426 V1428 L1432 V1433 L1434 L1460 I1462 | Y1419-A1430 HydrophobicContact CE2-CB 4.04Å; S1426-A1430 WeakPolarHBondContact O-CB 3.37Å; S1426-A1430 PolarHBondContact O-N 2.9Å; V1428-A1430 VanDerWaalsContact C-N 3.28Å; V1428-A1430 PolarHBondContact O-N 2.91Å; A1430-L1432 PolarHBondContact O-N 3.28Å; A1430-V1433 PolarHBondContact O-N 2.99Å; A1430-L1434 WeakPolarHBondContact O-CB 3.33Å; A1430-L1434 VanDerWaalsContact O-CG 3.27Å; A1430-L1434 WeakPolarHBondContact O-CG 3.29Å; A1430-L1434 PolarHBondContact O-N 3.08Å; A1430-L1460 HydrophobicContact CB-CD2 3.69Å; A1430-I1462 HydrophobicContact CB-CD1 4.43Å |
| 1431 | N | 89.7 | Confident | 87.1 | Confident | 2 Ų | 2 | 22.6 Ų | 22.6 | 1% | 0.011 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.6 | -38.1 | 174.4 | -82.2 | -77.1 | 0 | 0 | 0 | 112.6 | L1374 P1427 V1428 F1429 L1434 W1435 I1462 Q1466 V1468 | L1374-N1431 HydrophobicContact CD1-CB 4.45Å; P1427-N1431 PolarHBondContact O-N 2.95Å; P1427-N1431 VanDerWaalsContact O-N 3.12Å; P1427-N1431 PolarHBondContact O-ND2 2.98Å; V1428-N1431 WeakPolarHBondContact O-CB 3.34Å; V1428-N1431 PolarHBondContact O-N 3.27Å; V1428-N1431 VanDerWaalsContact O-N 3.14Å; F1429-N1431 VanDerWaalsContact C-N 3.29Å; F1429-N1431 PolarHBondContact O-N 2.85Å; N1431-L1434 PolarHBondContact O-N 3.16Å; N1431-W1435 PolarHBondContact O-N 3.03Å; N1431-I1462 VanDerWaalsContact ND2-CD1 3.33Å; N1431-I1462 WeakPolarHBondContact ND2-CD1 3.34Å; N1431-Q1466 PolarHBondContact ND2-O 3.4Å; N1431-V1468 HydrophobicContact CB-CB 4.36Å; N1431-V1468 HydrophobicContact CB-CG2 4.26Å; N1431-V1468 WeakPolarHBondContact OD1-CB 3.31Å; N1431-V1468 PolarHBondContact OD1-N 3.41Å |
| 1432 | L | 89.8 | Confident | 87.2 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.7 | -43.5 | 175.5 | -174.9 | 67.5 | 0 | 0 | 0 | 111.6 | L1348 T1349 S1352 L1374 L1415 V1428 F1429 A1430 L1434 W1435 P1436 | L1348-L1432 HydrophobicContact CB-CD1 4.44Å; T1349-L1432 HydrophobicContact CG2-CD1 4.06Å; T1349-L1432 HydrophobicContact CG2-CD2 4.42Å; T1349-L1432 HydrophobicContact CG2-CG 4.24Å; S1352-L1432 WeakPolarHBondContact OG-CD2 3.45Å; L1374-L1432 HydrophobicContact CD1-CB 4.15Å; L1374-L1432 HydrophobicContact CD1-CD1 4.4Å; L1374-L1432 HydrophobicContact CD2-CD1 3.89Å; L1415-L1432 HydrophobicContact CD1-CD2 3.99Å; L1415-L1432 HydrophobicContact CD2-CG 4.25Å; V1428-L1432 PolarHBondContact O-N 2.74Å; F1429-L1432 WeakPolarHBondContact O-CB 3.47Å; F1429-L1432 PolarHBondContact O-N 2.9Å; A1430-L1432 PolarHBondContact O-N 3.28Å; L1432-L1434 VanDerWaalsContact C-N 3.33Å; L1432-W1435 PolarHBondContact O-N 3.3Å; L1432-P1436 WeakPolarHBondContact O-CD 3.2Å |
| 1433 | V | 91.7 | Very high | 87.6 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65.1 | -37 | 175.5 | 172 | 0 | 0 | 0 | 0 | 111.6 | Y1412 L1415 V1416 Y1419 F1429 A1430 W1435 P1436 L1449 | Y1412-V1433 WeakPolarHBondContact CE2-O 3.38Å; Y1412-V1433 PolarHBondContact OH-O 2.93Å; L1415-V1433 HydrophobicContact CD2-CG2 4.17Å; L1415-V1433 HydrophobicContact CG-CG2 4.2Å; V1416-V1433 HydrophobicContact CG2-CG1 4.14Å; Y1419-V1433 HydrophobicContact CD2-CG2 4.06Å; Y1419-V1433 HydrophobicContact CG-CG2 3.99Å; F1429-V1433 HydrophobicContact CD1-CG2 3.96Å; F1429-V1433 HydrophobicContact CE1-CG2 4.1Å; F1429-V1433 PolarHBondContact O-N 3.11Å; A1430-V1433 PolarHBondContact O-N 2.99Å; V1433-W1435 VanDerWaalsContact C-N 3.33Å; V1433-P1436 WeakPolarHBondContact O-CD 3.11Å; V1433-L1449 HydrophobicContact CG1-CD1 4.07Å; V1433-L1449 HydrophobicContact CG1-CD2 4.39Å |
| 1434 | L | 92.3 | Very high | 88.2 | Confident | 2 Ų | 2 | 24.8 Ų | 24.8 | 1% | 0.01 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -76.3 | -18.6 | 179.4 | -72.1 | 172.1 | 0 | 0 | 0 | 113.3 | A1430 N1431 L1432 C1437 L1449 I1462 L1467 F1474 L1504 L1505 | A1430-L1434 WeakPolarHBondContact O-CB 3.33Å; A1430-L1434 VanDerWaalsContact O-CG 3.27Å; A1430-L1434 WeakPolarHBondContact O-CG 3.29Å; A1430-L1434 PolarHBondContact O-N 3.08Å; N1431-L1434 PolarHBondContact O-N 3.16Å; L1432-L1434 VanDerWaalsContact C-N 3.33Å; L1434-C1437 WeakPolarHBondContact O-CA 3.41Å; L1434-C1437 VanDerWaalsContact O-CB 3.27Å; L1434-C1437 WeakPolarHBondContact O-CB 3.38Å; L1434-C1437 PolarHBondContact O-N 2.79Å; L1434-L1449 HydrophobicContact CD2-CD2 4.06Å; L1434-I1462 HydrophobicContact CD1-CD1 4.47Å; L1434-I1462 HydrophobicContact CD1-CG2 4.03Å; L1434-L1467 HydrophobicContact CD1-CD1 4.41Å; L1434-F1474 HydrophobicContact CB-CE1 4.25Å; L1434-F1474 HydrophobicContact CB-CZ 4.14Å; L1434-F1474 WeakPolarHBondContact O-CE1 3.4Å; L1434-L1504 HydrophobicContact CD1-CD2 4.06Å; L1434-L1505 HydrophobicContact CD2-CD2 4.32Å |
| 1435 | W | 91 | Very high | 88.8 | Confident | 3 Ų | 3 | 17.6 Ų | 17.6 | 1% | 0.011 | 9% | 0.09 | C | C | . | . | G | 310 helix | trans | -57.8 | -46.1 | -174.9 | -163.3 | 105.4 | 0 | 0 | 0 | 113.6 | I1345 G1378 I1380 L1396 N1431 L1432 V1433 C1437 Q1438 I1469 | I1345-W1435 HydrophobicContact CD1-CD2 3.32Å; I1345-W1435 HydrophobicContact CD1-CE3 3.6Å; I1345-W1435 HydrophobicContact CD1-CG 4.02Å; I1345-W1435 HydrophobicContact CD1-CH2 3.27Å; I1345-W1435 HydrophobicContact CD1-CZ2 3.01Å; I1345-W1435 HydrophobicContact CD1-CZ3 3.57Å; I1345-W1435 HydrophobicContact CG1-CD2 4.21Å; I1345-W1435 HydrophobicContact CG1-CE3 4.46Å; I1345-W1435 HydrophobicContact CG1-CZ2 4.47Å; I1345-W1435 HydrophobicContact CG2-CD2 4.36Å; I1345-W1435 HydrophobicContact CG2-CE3 3.99Å; I1345-W1435 HydrophobicContact CG2-CZ3 4.38Å; G1378-W1435 PolarHBondContact O-NE1 3.26Å; I1380-W1435 HydrophobicContact CD1-CH2 3.56Å; I1380-W1435 HydrophobicContact CD1-CZ2 4.33Å; I1380-W1435 HydrophobicContact CD1-CZ3 3.79Å; I1380-W1435 HydrophobicContact CG1-CH2 3.22Å; I1380-W1435 HydrophobicContact CG1-CZ2 3.59Å; I1380-W1435 HydrophobicContact CG1-CZ3 3.98Å; L1396-W1435 HydrophobicContact CD1-CZ3 4.13Å; L1396-W1435 HydrophobicContact CD2-CZ3 4.13Å; L1396-W1435 HydrophobicContact CG-CZ3 4.37Å; N1431-W1435 PolarHBondContact O-N 3.03Å; L1432-W1435 PolarHBondContact O-N 3.3Å; V1433-W1435 VanDerWaalsContact C-N 3.33Å; W1435-C1437 PolarHBondContact O-N 3.48Å; W1435-C1437 VanDerWaalsContact O-N 3.17Å; W1435-Q1438 WeakPolarHBondContact O-CG 3.39Å; W1435-I1469 HydrophobicContact CB-CD1 3.82Å; W1435-I1469 HydrophobicContact CG-CD1 3.79Å |
| 1436 | P | 91.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 7% | 0.074 | C | C | . | . | G | 310 helix | trans | -69.5 | -8 | 174.4 | -21.8 | 37.1 | 0 | 0 | 0 | 114.7 | L1396 Y1408 Y1412 L1432 V1433 C1441 Y1445 | L1396-P1436 HydrophobicContact CD1-CB 4.02Å; L1396-P1436 HydrophobicContact CD1-CG 4.47Å; Y1408-P1436 HydrophobicContact CE1-CB 4.38Å; Y1408-P1436 HydrophobicContact CE1-CG 4.09Å; Y1408-P1436 WeakPolarHBondContact OH-CG 3.46Å; Y1412-P1436 HydrophobicContact CD2-CB 4.2Å; Y1412-P1436 HydrophobicContact CD2-CG 3.78Å; Y1412-P1436 HydrophobicContact CE2-CB 4.03Å; Y1412-P1436 HydrophobicContact CE2-CG 3.77Å; L1432-P1436 WeakPolarHBondContact O-CD 3.2Å; V1433-P1436 WeakPolarHBondContact O-CD 3.11Å; P1436-C1441 WeakPolarHBondContact O-CB 3.11Å; P1436-C1441 PolarHBondContact O-SG 3.28Å; P1436-Y1445 HydrophobicContact CB-CD1 4.26Å; P1436-Y1445 HydrophobicContact CB-CD2 4.2Å; P1436-Y1445 HydrophobicContact CB-CG 3.9Å |
| 1437 | C | 92.4 | Very high | 89.8 | Confident | 5 Ų | 5 | 20 Ų | 20 | 3% | 0.034 | 9% | 0.094 | C | C | . | . | G | 310 helix | trans | -88.3 | 3.6 | -178.5 | -68.4 | 0 | 0 | 0 | 0 | 114.6 | Y1412 L1434 W1435 R1446 L1449 F1474 | Y1412-C1437 PolarHBondContact OH-SG 3.17Å; L1434-C1437 WeakPolarHBondContact O-CA 3.41Å; L1434-C1437 VanDerWaalsContact O-CB 3.27Å; L1434-C1437 WeakPolarHBondContact O-CB 3.38Å; L1434-C1437 PolarHBondContact O-N 2.79Å; W1435-C1437 PolarHBondContact O-N 3.48Å; W1435-C1437 VanDerWaalsContact O-N 3.17Å; C1437-R1446 HydrophobicContact CB-CG 4.05Å; C1437-R1446 VanDerWaalsContact O-CD 3.3Å; C1437-R1446 WeakPolarHBondContact O-CD 3.28Å; C1437-R1446 WeakPolarHBondContact O-CG 3.47Å; C1437-L1449 VanDerWaalsContact SG-CD2 3.56Å; C1437-F1474 HydrophobicContact CB-CE1 4.27Å |
| 1438 | Q | 91.8 | Very high | 90.2 | Very high | 2 Ų | 2 | 19.8 Ų | 19.8 | 1% | 0.009 | 9% | 0.092 | C | C | . | . | S | Bend | trans | -59.7 | 155.1 | 173.1 | -62.9 | 170.8 | 148 | 0 | 0 | 111.5 | P1379 W1435 L1440 C1441 R1446 I1469 S1473 F1474 | P1379-Q1438 VanDerWaalsContact CA-OE1 3.25Å; W1435-Q1438 WeakPolarHBondContact O-CG 3.39Å; Q1438-L1440 VanDerWaalsContact C-N 3.3Å; Q1438-L1440 PolarHBondContact O-N 3.35Å; Q1438-C1441 WeakPolarHBondContact O-CB 3.41Å; Q1438-C1441 PolarHBondContact O-N 2.95Å; Q1438-C1441 VanDerWaalsContact O-N 3.11Å; Q1438-R1446 PolarHBondContact O-NH1 3.47Å; Q1438-I1469 HydrophobicContact CG-CG2 4.23Å; Q1438-S1473 CarbonylContact C-O 3.53Å; Q1438-S1473 WeakPolarHBondContact CA-O 3.29Å; Q1438-F1474 HydrophobicContact CG-CE1 4.16Å; Q1438-F1474 HydrophobicContact CG-CZ 4.3Å |
| 1439 | Q | 90.3 | Very high | 90.6 | Very high | 16 Ų | 16 | 19.6 Ų | 19.6 | 8% | 0.075 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -29 | -176.8 | -71 | -61.9 | -34.1 | 0 | 0 | 113.6 | C1441 S1473 F1474 P1477 H1512 | Q1439-C1441 PolarHBondContact O-N 3.29Å; Q1439-S1473 PolarHBondContact N-O 3.08Å; Q1439-F1474 VanDerWaalsContact CG-O 3.24Å; Q1439-F1474 WeakPolarHBondContact CG-O 3.32Å; Q1439-F1474 PolarHBondContact NE2-O 3.22Å; Q1439-F1474 VanDerWaalsContact NE2-O 3.07Å; Q1439-P1477 HydrophobicContact CB-CG 4.28Å; Q1439-P1477 VanDerWaalsContact CG-O 3.28Å; Q1439-P1477 WeakPolarHBondContact CG-O 3.36Å; Q1439-P1477 PolarHBondContact OE1-O 3.05Å; Q1439-H1512 PolarHBondContact NE2-CE1 3.35Å; Q1439-H1512 PolarHBondContact NE2-NE2 2.98Å |
| 1440 | L | 84.9 | Confident | 90.9 | Very high | 83 Ų | 83 | 19.8 Ų | 19.8 | 44% | 0.435 | 9% | 0.092 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -15.5 | 175.5 | -63.5 | 177.7 | 0 | 0 | 0 | 113.1 | I1380 Q1438 | I1380-L1440 HydrophobicContact CB-CD1 4.49Å; I1380-L1440 HydrophobicContact CG2-CB 4.22Å; I1380-L1440 HydrophobicContact CG2-CD1 4.2Å; I1380-L1440 VanDerWaalsContact O-CD1 3.31Å; I1380-L1440 WeakPolarHBondContact O-CD1 3.29Å; Q1438-L1440 VanDerWaalsContact C-N 3.3Å; Q1438-L1440 PolarHBondContact O-N 3.35Å |
| 1441 | C | 87.8 | Confident | 90.8 | Very high | 12 Ų | 12 | 21 Ų | 21 | 8% | 0.081 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -80.8 | 156.7 | 172.6 | -63 | 0 | 0 | 0 | 0 | 111.5 | I1380 P1436 Q1438 Q1439 Y1445 R1446 | I1380-C1441 WeakPolarHBondContact CD1-SG 3.24Å; P1436-C1441 WeakPolarHBondContact O-CB 3.11Å; P1436-C1441 PolarHBondContact O-SG 3.28Å; Q1438-C1441 WeakPolarHBondContact O-CB 3.41Å; Q1438-C1441 PolarHBondContact O-N 2.95Å; Q1438-C1441 VanDerWaalsContact O-N 3.11Å; Q1439-C1441 PolarHBondContact O-N 3.29Å; C1441-Y1445 HydrophobicContact CB-CD2 4.34Å; C1441-R1446 PolarHBondContact O-NH1 3.31Å |
| 1442 | H | 86.8 | Confident | 90.8 | Very high | 102 Ų | 102 | 25.8 Ų | 25.8 | 47% | 0.472 | 13% | 0.127 | S | C | . | . | trans | -57.4 | 138.3 | 174.6 | -167.5 | -86.2 | 0 | 0 | 0 | 112 | E1397 K1444 Y1445 | E1397-H1442 IonicContact OE1-CG 3.34Å; H1442-K1444 HydrophobicContact CB-CG 4.39Å; H1442-K1444 WeakPolarHBondContact ND1-CB 3.44Å; H1442-K1444 VanDerWaalsContact ND1-CG 3.32Å; H1442-K1444 WeakPolarHBondContact ND1-CG 3.44Å; H1442-K1444 PolarHBondContact ND1-N 3.43Å; H1442-K1444 PolarHBondContact O-N 3.43Å; H1442-Y1445 HydrophobicContact CB-CE2 4.25Å; H1442-Y1445 WeakPolarHBondContact O-CD2 3.23Å; H1442-Y1445 PolarHBondContact O-N 3.26Å | ||
| 1443 | V | 88.5 | Confident | 90.8 | Very high | 25 Ų | 25 | 27 Ų | 27 | 15% | 0.152 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -57.9 | -22.8 | -173.6 | 67.6 | 0 | 0 | 0 | 0 | 114.4 | Y1445 R1446 R1447 N1481 M1484 | V1443-Y1445 VanDerWaalsContact C-N 3.32Å; V1443-Y1445 PolarHBondContact O-N 2.97Å; V1443-R1446 PolarHBondContact O-N 3.33Å; V1443-R1447 PolarHBondContact O-N 3.44Å; V1443-N1481 HydrophobicContact CG2-CB 4.21Å; V1443-M1484 HydrophobicContact CG2-CB 4.01Å; V1443-M1484 HydrophobicContact CG2-CG 4.21Å; V1443-M1484 HydrophobicContact CG2-SD 4.38Å |
| 1444 | K | 90.5 | Very high | 90.6 | Very high | 37 Ų | 37 | 29.4 Ų | 29.4 | 16% | 0.161 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57.3 | -38.4 | -177.4 | 70.9 | -173.2 | -174.3 | -173.5 | 0 | 113.6 | E1397 Y1409 H1442 R1447 A1448 | E1397-K1444 VanDerWaalsContact CD-NZ 3.32Å; E1397-K1444 WeakPolarHBondContact OE1-CE 3.1Å; E1397-K1444 IonicContact OE1-NZ 3.82Å; E1397-K1444 PolarHBondContact OE1-NZ 2.93Å; Y1409-K1444 HydrophobicContact CD2-CB 4.23Å; Y1409-K1444 HydrophobicContact CD2-CD 3.76Å; Y1409-K1444 HydrophobicContact CD2-CG 3.74Å; Y1409-K1444 HydrophobicContact CE2-CB 3.96Å; Y1409-K1444 HydrophobicContact CE2-CD 4.32Å; Y1409-K1444 HydrophobicContact CE2-CG 3.99Å; Y1409-K1444 HydrophobicContact CG-CD 4.4Å; H1442-K1444 HydrophobicContact CB-CG 4.39Å; H1442-K1444 WeakPolarHBondContact ND1-CB 3.44Å; H1442-K1444 VanDerWaalsContact ND1-CG 3.32Å; H1442-K1444 WeakPolarHBondContact ND1-CG 3.44Å; H1442-K1444 PolarHBondContact ND1-N 3.43Å; H1442-K1444 PolarHBondContact O-N 3.43Å; K1444-R1447 PolarHBondContact O-N 2.96Å; K1444-A1448 WeakPolarHBondContact O-CB 3.28Å; K1444-A1448 PolarHBondContact O-N 2.68Å |
| 1445 | Y | 92.4 | Very high | 90.2 | Very high | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.008 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -68.5 | -39.8 | -179.6 | -54.7 | -67.8 | 0 | 0 | 0 | 111.6 | L1396 Y1408 Y1409 Y1412 P1436 C1441 H1442 V1443 A1448 L1449 | L1396-Y1445 HydrophobicContact CD1-CE2 4.05Å; Y1408-Y1445 AromaticContact CD1-CE1 3.6Å; Y1408-Y1445 HydrophobicContact CD1-CE1 3.6Å; Y1408-Y1445 AromaticContact CD1-CZ 3.71Å; Y1408-Y1445 WeakPolarHBondContact CD1-OH 3.42Å; Y1408-Y1445 AromaticContact CE1-CE1 3.92Å; Y1408-Y1445 HydrophobicContact CE1-CE1 3.92Å; Y1409-Y1445 HydrophobicContact CD2-CD1 4.14Å; Y1409-Y1445 HydrophobicContact CD2-CE1 4.1Å; Y1412-Y1445 AromaticContact CD1-CD1 3.69Å; Y1412-Y1445 HydrophobicContact CD1-CD1 3.69Å; Y1412-Y1445 HydrophobicContact CE1-CD1 4.18Å; Y1412-Y1445 AromaticContact CG-CD1 3.88Å; Y1412-Y1445 HydrophobicContact CG-CD1 3.88Å; Y1412-Y1445 HydrophobicContact CG-CE1 4.49Å; P1436-Y1445 HydrophobicContact CB-CD1 4.26Å; P1436-Y1445 HydrophobicContact CB-CD2 4.2Å; P1436-Y1445 HydrophobicContact CB-CG 3.9Å; C1441-Y1445 HydrophobicContact CB-CD2 4.34Å; H1442-Y1445 HydrophobicContact CB-CE2 4.25Å; H1442-Y1445 WeakPolarHBondContact O-CD2 3.23Å; H1442-Y1445 PolarHBondContact O-N 3.26Å; V1443-Y1445 VanDerWaalsContact C-N 3.32Å; V1443-Y1445 PolarHBondContact O-N 2.97Å; Y1445-A1448 PolarHBondContact O-N 3.2Å; Y1445-L1449 PolarHBondContact O-N 2.98Å; Y1445-L1449 VanDerWaalsContact O-N 3.11Å |
| 1446 | R | 94.3 | Very high | 90.1 | Very high | 9 Ų | 9 | 33.7 Ų | 33.7 | 3% | 0.034 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.5 | -44.8 | 172.3 | -61.4 | -167.9 | -69.1 | -80.1 | 6.8 | 110.3 | C1437 Q1438 C1441 V1443 A1448 L1449 W1450 E1479 M1484 | C1437-R1446 HydrophobicContact CB-CG 4.05Å; C1437-R1446 VanDerWaalsContact O-CD 3.3Å; C1437-R1446 WeakPolarHBondContact O-CD 3.28Å; C1437-R1446 WeakPolarHBondContact O-CG 3.47Å; Q1438-R1446 PolarHBondContact O-NH1 3.47Å; C1441-R1446 PolarHBondContact O-NH1 3.31Å; V1443-R1446 PolarHBondContact O-N 3.33Å; R1446-A1448 PolarHBondContact O-N 3.47Å; R1446-L1449 PolarHBondContact O-N 2.81Å; R1446-W1450 WeakPolarHBondContact O-CB 3.45Å; R1446-W1450 VanDerWaalsContact O-CD1 3.29Å; R1446-W1450 PolarHBondContact O-N 2.97Å; R1446-E1479 IonicContact CZ-OE2 3.7Å; R1446-E1479 VanDerWaalsContact CZ-OE2 3.25Å; R1446-E1479 IonicContact NE-OE2 3.72Å; R1446-E1479 PolarHBondContact NE-OE2 3.21Å; R1446-E1479 IonicContact NH2-OE1 2.74Å; R1446-E1479 IonicContact NH2-OE2 3.25Å; R1446-E1479 PolarHBondContact NH2-OE2 3.17Å; R1446-M1484 HydrophobicContact CB-CE 3.61Å; R1446-M1484 HydrophobicContact CB-SD 3.79Å; R1446-M1484 WeakPolarHBondContact O-CE 3.49Å |
| 1447 | R | 92.4 | Very high | 90 | Very high | 111 Ų | 111 | 33.7 Ų | 33.7 | 42% | 0.419 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -63.1 | -40.6 | 178.8 | -168.2 | 171.7 | 73 | 178.9 | 3 | 112.7 | V1443 K1444 G1451 E1452 M1484 | V1443-R1447 PolarHBondContact O-N 3.44Å; K1444-R1447 PolarHBondContact O-N 2.96Å; R1447-G1451 VanDerWaalsContact O-CA 3.24Å; R1447-G1451 WeakPolarHBondContact O-CA 3.01Å; R1447-G1451 PolarHBondContact O-N 2.92Å; R1447-E1452 PolarHBondContact O-N 3.45Å; R1447-M1484 HydrophobicContact CB-SD 4.22Å |
| 1448 | A | 92.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | I | π-helix | trans | -59.7 | -49.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y1409 Y1412 I1413 K1444 Y1445 R1446 E1452 H1453 | Y1409-A1448 HydrophobicContact CE2-CB 3.89Å; Y1409-A1448 WeakPolarHBondContact OH-CB 3.49Å; Y1412-A1448 HydrophobicContact CE1-CB 4.18Å; I1413-A1448 HydrophobicContact CD1-CB 3.69Å; K1444-A1448 WeakPolarHBondContact O-CB 3.28Å; K1444-A1448 PolarHBondContact O-N 2.68Å; Y1445-A1448 PolarHBondContact O-N 3.2Å; R1446-A1448 PolarHBondContact O-N 3.47Å; A1448-E1452 PolarHBondContact O-N 2.83Å; A1448-H1453 WeakPolarHBondContact O-CB 3.39Å; A1448-H1453 PolarHBondContact O-N 3.33Å |
| 1449 | L | 94.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | I | π-helix | trans | -68.1 | -48.5 | -178 | -175.7 | 61.3 | 0 | 0 | 0 | 113 | V1416 V1433 L1434 C1437 Y1445 R1446 H1453 V1456 L1457 L1460 | V1416-L1449 HydrophobicContact CG1-CD1 4.35Å; V1416-L1449 HydrophobicContact CG2-CD1 4.42Å; V1433-L1449 HydrophobicContact CG1-CD1 4.07Å; V1433-L1449 HydrophobicContact CG1-CD2 4.39Å; L1434-L1449 HydrophobicContact CD2-CD2 4.06Å; C1437-L1449 VanDerWaalsContact SG-CD2 3.56Å; Y1445-L1449 PolarHBondContact O-N 2.98Å; Y1445-L1449 VanDerWaalsContact O-N 3.11Å; R1446-L1449 PolarHBondContact O-N 2.81Å; L1449-H1453 CarbonylContact O-C 3.46Å; L1449-V1456 HydrophobicContact CD1-CB 4.47Å; L1449-V1456 HydrophobicContact CD1-CG1 4.33Å; L1449-L1457 HydrophobicContact CD1-CD2 4.42Å; L1449-L1457 HydrophobicContact CG-CD2 4.01Å; L1449-L1460 HydrophobicContact CD1-CD1 3.87Å; L1449-L1460 HydrophobicContact CD2-CD1 4.13Å; L1449-L1460 HydrophobicContact CG-CD1 4.35Å |
| 1450 | W | 93.7 | Very high | 89.2 | Confident | 4 Ų | 4 | 36.7 Ų | 36.7 | 2% | 0.015 | 18% | 0.181 | C | C | . | . | I | π-helix | trans | -84.8 | -25.7 | -173 | -74.8 | 81.4 | 0 | 0 | 0 | 113.9 | R1446 Q1454 L1457 M1484 V1487 Y1488 A1491 V1497 L1505 I1508 A1509 | R1446-W1450 WeakPolarHBondContact O-CB 3.45Å; R1446-W1450 VanDerWaalsContact O-CD1 3.29Å; R1446-W1450 PolarHBondContact O-N 2.97Å; W1450-Q1454 WeakPolarHBondContact O-CG 3.37Å; W1450-L1457 HydrophobicContact CD2-CD1 4.2Å; W1450-L1457 HydrophobicContact CD2-CD2 4.33Å; W1450-L1457 HydrophobicContact CE3-CD1 3.74Å; W1450-L1457 HydrophobicContact CZ3-CD1 4.26Å; W1450-M1484 HydrophobicContact CB-CE 3.57Å; W1450-M1484 HydrophobicContact CD2-CE 4.42Å; W1450-M1484 HydrophobicContact CG-CE 3.6Å; W1450-V1487 HydrophobicContact CB-CG1 3.58Å; W1450-V1487 WeakPolarHBondContact O-CG1 3.17Å; W1450-Y1488 AromaticContact CD2-CD1 3.68Å; W1450-Y1488 HydrophobicContact CD2-CD1 3.68Å; W1450-Y1488 AromaticContact CD2-CE1 3.54Å; W1450-Y1488 HydrophobicContact CD2-CE1 3.54Å; W1450-Y1488 AromaticContact CE2-CD1 3.96Å; W1450-Y1488 AromaticContact CE2-CE1 3.46Å; W1450-Y1488 VanDerWaalsContact CE2-CE1 3.46Å; W1450-Y1488 AromaticContact CE3-CD1 3.57Å; W1450-Y1488 HydrophobicContact CE3-CD1 3.57Å; W1450-Y1488 AromaticContact CE3-CE1 3.95Å; W1450-Y1488 HydrophobicContact CE3-CE1 3.95Å; W1450-Y1488 HydrophobicContact CG-CD1 4.28Å; W1450-Y1488 AromaticContact CG-CE1 3.93Å; W1450-Y1488 HydrophobicContact CG-CE1 3.93Å; W1450-Y1488 AromaticContact CH2-CD1 3.97Å; W1450-Y1488 HydrophobicContact CH2-CD1 3.97Å; W1450-Y1488 HydrophobicContact CH2-CE1 4.11Å; W1450-Y1488 HydrophobicContact CZ2-CD1 4.1Å; W1450-Y1488 AromaticContact CZ2-CE1 3.76Å; W1450-Y1488 HydrophobicContact CZ2-CE1 3.76Å; W1450-Y1488 AromaticContact CZ3-CD1 3.72Å; W1450-Y1488 HydrophobicContact CZ3-CD1 3.72Å; W1450-Y1488 HydrophobicContact CZ3-CE1 4.21Å; W1450-Y1488 AromaticContact NE1-CE1 3.8Å; W1450-A1491 HydrophobicContact CE3-CB 3.92Å; W1450-A1491 HydrophobicContact CZ3-CB 3.98Å; W1450-V1497 HydrophobicContact CH2-CG2 4.43Å; W1450-V1497 HydrophobicContact CZ3-CG2 3.85Å; W1450-L1505 HydrophobicContact CH2-CB 3.65Å; W1450-L1505 HydrophobicContact CH2-CD2 4.23Å; W1450-L1505 HydrophobicContact CH2-CG 4.42Å; W1450-L1505 WeakPolarHBondContact CH2-O 3.28Å; W1450-L1505 HydrophobicContact CZ2-CB 3.93Å; W1450-L1505 HydrophobicContact CZ2-CD2 3.6Å; W1450-L1505 HydrophobicContact CZ2-CG 4.27Å; W1450-I1508 HydrophobicContact CZ2-CG2 4.41Å; W1450-A1509 HydrophobicContact CH2-CB 3.81Å; W1450-A1509 HydrophobicContact CZ3-CB 3.94Å |
| 1451 | G | 89.1 | Confident | 89.1 | Confident | 26 Ų | 26 | 38 Ų | 38 | 27% | 0.268 | 18% | 0.181 | S | C | . | . | I | π-helix | trans | -102.9 | -77.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | R1447 H1453 Q1454 | R1447-G1451 VanDerWaalsContact O-CA 3.24Å; R1447-G1451 WeakPolarHBondContact O-CA 3.01Å; R1447-G1451 PolarHBondContact O-N 2.92Å; G1451-H1453 VanDerWaalsContact C-N 3.31Å; G1451-H1453 PolarHBondContact O-N 2.83Å; G1451-Q1454 WeakPolarHBondContact O-CB 3.38Å; G1451-Q1454 PolarHBondContact O-N 2.72Å |
| 1452 | E | 88.2 | Confident | 88.8 | Confident | 103 Ų | 103 | 37.6 Ų | 37.6 | 48% | 0.481 | 18% | 0.177 | S | C | . | . | I | π-helix | trans | -62.6 | -36.8 | -171 | -65.7 | 168.3 | -163 | 0 | 0 | 112.7 | Y1409 R1447 A1448 | Y1409-E1452 PolarHBondContact OH-OE2 2.78Å; R1447-E1452 PolarHBondContact O-N 3.45Å; A1448-E1452 PolarHBondContact O-N 2.83Å |
| 1453 | H | 89.9 | Confident | 88.3 | Confident | 25 Ų | 25 | 33.2 Ų | 33.2 | 12% | 0.116 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | 36.4 | -179.1 | -65.9 | -90.5 | 0 | 0 | 0 | 112.5 | V1416 N1417 A1448 L1449 G1451 Q1455 V1456 | V1416-H1453 HydrophobicContact CG1-CB 3.73Å; N1417-H1453 PolarHBondContact OD1-CE1 2.94Å; N1417-H1453 PolarHBondContact OD1-ND1 3.26Å; A1448-H1453 WeakPolarHBondContact O-CB 3.39Å; A1448-H1453 PolarHBondContact O-N 3.33Å; L1449-H1453 CarbonylContact O-C 3.46Å; G1451-H1453 VanDerWaalsContact C-N 3.31Å; G1451-H1453 PolarHBondContact O-N 2.83Å; H1453-Q1455 VanDerWaalsContact C-OE1 3.31Å; H1453-Q1455 PolarHBondContact O-N 2.88Å; H1453-V1456 HydrophobicContact CB-CG2 3.92Å; H1453-V1456 VanDerWaalsContact O-CB 3.26Å; H1453-V1456 WeakPolarHBondContact O-CB 3.22Å; H1453-V1456 VanDerWaalsContact O-CG2 3.32Å; H1453-V1456 WeakPolarHBondContact O-CG2 3.13Å; H1453-V1456 PolarHBondContact O-N 3.34Å |
| 1454 | Q | 87.2 | Confident | 87.8 | Confident | 50 Ų | 50 | 32.6 Ų | 32.6 | 23% | 0.234 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -55.7 | -26 | -176.2 | -166.9 | 177.1 | -2.3 | 0 | 0 | 113.9 | W1450 G1451 V1456 L1457 T1496 | W1450-Q1454 WeakPolarHBondContact O-CG 3.37Å; G1451-Q1454 WeakPolarHBondContact O-CB 3.38Å; G1451-Q1454 PolarHBondContact O-N 2.72Å; Q1454-V1456 PolarHBondContact O-N 2.94Å; Q1454-L1457 HydrophobicContact CG-CD1 3.81Å; Q1454-L1457 HydrophobicContact CG-CG 4.47Å; Q1454-L1457 WeakPolarHBondContact O-CB 3.37Å; Q1454-L1457 WeakPolarHBondContact O-CG 3.38Å; Q1454-L1457 PolarHBondContact O-N 2.81Å; Q1454-L1457 VanDerWaalsContact O-N 3.13Å; Q1454-T1496 PolarHBondContact NE2-OG1 3.42Å |
| 1455 | Q | 84.7 | Confident | 87.1 | Confident | 95 Ų | 95 | 32.1 Ų | 32.1 | 44% | 0.444 | 16% | 0.155 | S | C | . | . | G | 310 helix | trans | -57.9 | -30.2 | 173.3 | 64.5 | -80.7 | 8.8 | 0 | 0 | 113.3 | H1453 L1457 N1458 | H1453-Q1455 VanDerWaalsContact C-OE1 3.31Å; H1453-Q1455 PolarHBondContact O-N 2.88Å; Q1455-L1457 VanDerWaalsContact C-N 3.26Å; Q1455-L1457 PolarHBondContact O-N 3.4Å; Q1455-N1458 WeakPolarHBondContact O-CB 3.37Å; Q1455-N1458 PolarHBondContact O-N 3.4Å |
| 1456 | V | 89.5 | Confident | 86.5 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -70.5 | -24.2 | -179.8 | -174.5 | 0 | 0 | 0 | 0 | 111.7 | V1416 Y1419 N1420 L1449 H1453 Q1454 N1458 S1459 L1460 | V1416-V1456 HydrophobicContact CG1-CB 4.42Å; V1416-V1456 HydrophobicContact CG1-CG1 4.35Å; V1416-V1456 HydrophobicContact CG1-CG2 3.87Å; Y1419-V1456 HydrophobicContact CD1-CG1 3.58Å; Y1419-V1456 HydrophobicContact CE1-CG1 3.99Å; N1420-V1456 HydrophobicContact CB-CG2 3.72Å; L1449-V1456 HydrophobicContact CD1-CB 4.47Å; L1449-V1456 HydrophobicContact CD1-CG1 4.33Å; H1453-V1456 HydrophobicContact CB-CG2 3.92Å; H1453-V1456 VanDerWaalsContact O-CB 3.26Å; H1453-V1456 WeakPolarHBondContact O-CB 3.22Å; H1453-V1456 VanDerWaalsContact O-CG2 3.32Å; H1453-V1456 WeakPolarHBondContact O-CG2 3.13Å; H1453-V1456 PolarHBondContact O-N 3.34Å; Q1454-V1456 PolarHBondContact O-N 2.94Å; V1456-N1458 PolarHBondContact O-N 3.41Å; V1456-N1458 VanDerWaalsContact O-N 3.16Å; V1456-S1459 PolarHBondContact O-N 3.47Å; V1456-S1459 VanDerWaalsContact O-N 3.12Å; V1456-S1459 PolarHBondContact O-OG 3.12Å; V1456-L1460 HydrophobicContact CG1-CD1 4.3Å; V1456-L1460 HydrophobicContact CG1-CG 4.42Å; V1456-L1460 PolarHBondContact O-N 3.21Å |
| 1457 | L | 89.1 | Confident | 85.9 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -59.8 | -29.7 | 175.9 | -54.6 | -177.3 | 0 | 0 | 0 | 111.4 | L1449 W1450 Q1454 Q1455 S1459 L1460 A1491 V1497 Q1502 L1505 | L1449-L1457 HydrophobicContact CD1-CD2 4.42Å; L1449-L1457 HydrophobicContact CG-CD2 4.01Å; W1450-L1457 HydrophobicContact CD2-CD1 4.2Å; W1450-L1457 HydrophobicContact CD2-CD2 4.33Å; W1450-L1457 HydrophobicContact CE3-CD1 3.74Å; W1450-L1457 HydrophobicContact CZ3-CD1 4.26Å; Q1454-L1457 HydrophobicContact CG-CD1 3.81Å; Q1454-L1457 HydrophobicContact CG-CG 4.47Å; Q1454-L1457 WeakPolarHBondContact O-CB 3.37Å; Q1454-L1457 WeakPolarHBondContact O-CG 3.38Å; Q1454-L1457 PolarHBondContact O-N 2.81Å; Q1454-L1457 VanDerWaalsContact O-N 3.13Å; Q1455-L1457 VanDerWaalsContact C-N 3.26Å; Q1455-L1457 PolarHBondContact O-N 3.4Å; L1457-S1459 VanDerWaalsContact C-N 3.3Å; L1457-S1459 PolarHBondContact O-N 3.29Å; L1457-L1460 HydrophobicContact CD2-CD1 4.18Å; L1457-L1460 PolarHBondContact O-N 3.01Å; L1457-A1491 HydrophobicContact CD1-CB 4.4Å; L1457-V1497 HydrophobicContact CB-CG2 4.21Å; L1457-V1497 HydrophobicContact CD1-CG2 3.7Å; L1457-Q1502 WeakPolarHBondContact O-CG 3.22Å; L1457-Q1502 PolarHBondContact O-NE2 3.08Å; L1457-L1505 HydrophobicContact CB-CD1 4.25Å; L1457-L1505 HydrophobicContact CD2-CD1 4.01Å |
| 1458 | N | 85.7 | Confident | 85.4 | Confident | 71 Ų | 71 | 28.4 Ų | 28.4 | 38% | 0.38 | 14% | 0.144 | S | C | . | . | G | 310 helix | trans | -66 | -29.8 | 179.1 | -67.8 | -33.3 | 0 | 0 | 0 | 113.8 | Q1455 V1456 R1461 T1496 | Q1455-N1458 WeakPolarHBondContact O-CB 3.37Å; Q1455-N1458 PolarHBondContact O-N 3.4Å; V1456-N1458 PolarHBondContact O-N 3.41Å; V1456-N1458 VanDerWaalsContact O-N 3.16Å; N1458-R1461 PolarHBondContact O-NE 3.41Å; N1458-T1496 PolarHBondContact OD1-O 3.03Å |
| 1459 | S | 84.2 | Confident | 84.9 | Confident | 16 Ų | 16 | 28.6 Ų | 28.6 | 11% | 0.112 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -18.7 | 176.9 | 46 | 0 | 0 | 0 | 0 | 113 | Y1419 N1425 V1456 L1457 R1461 | Y1419-S1459 PolarHBondContact OH-O 2.91Å; N1425-S1459 WeakPolarHBondContact CB-O 3.4Å; N1425-S1459 VanDerWaalsContact OD1-CA 3.25Å; N1425-S1459 WeakPolarHBondContact OD1-CA 3.25Å; N1425-S1459 WeakPolarHBondContact OD1-CB 3.38Å; N1425-S1459 PolarHBondContact OD1-O 3.39Å; N1425-S1459 VanDerWaalsContact OD1-O 3.05Å; V1456-S1459 PolarHBondContact O-N 3.47Å; V1456-S1459 VanDerWaalsContact O-N 3.12Å; V1456-S1459 PolarHBondContact O-OG 3.12Å; L1457-S1459 VanDerWaalsContact C-N 3.3Å; L1457-S1459 PolarHBondContact O-N 3.29Å; S1459-R1461 VanDerWaalsContact C-N 3.31Å; S1459-R1461 PolarHBondContact O-N 3.33Å |
| 1460 | L | 86.9 | Confident | 84.3 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | trans | -76.4 | 72 | 175.6 | -73.8 | 168.9 | 0 | 0 | 0 | 113 | Y1419 A1430 L1449 V1456 L1457 I1462 Q1502 L1505 | Y1419-L1460 HydrophobicContact CD1-CD2 4.43Å; Y1419-L1460 HydrophobicContact CE1-CD2 3.66Å; Y1419-L1460 HydrophobicContact CE1-CG 3.83Å; Y1419-L1460 HydrophobicContact CE2-CD2 4.26Å; A1430-L1460 HydrophobicContact CB-CD2 3.69Å; L1449-L1460 HydrophobicContact CD1-CD1 3.87Å; L1449-L1460 HydrophobicContact CD2-CD1 4.13Å; L1449-L1460 HydrophobicContact CG-CD1 4.35Å; V1456-L1460 HydrophobicContact CG1-CD1 4.3Å; V1456-L1460 HydrophobicContact CG1-CG 4.42Å; V1456-L1460 PolarHBondContact O-N 3.21Å; L1457-L1460 HydrophobicContact CD2-CD1 4.18Å; L1457-L1460 PolarHBondContact O-N 3.01Å; L1460-I1462 PolarHBondContact O-N 2.99Å; L1460-Q1502 WeakPolarHBondContact O-CG 3.46Å; L1460-L1505 HydrophobicContact CB-CD1 4.03Å | ||
| 1461 | R | 82.6 | Confident | 83.9 | Confident | 110 Ų | 110 | 30.7 Ų | 30.7 | 42% | 0.415 | 16% | 0.158 | S | C | . | . | trans | -95.7 | 46.1 | -177.6 | -61.1 | -169.1 | -175.5 | 172.8 | 1.4 | 114.3 | N1458 S1459 Y1612 | N1458-R1461 PolarHBondContact O-NE 3.41Å; S1459-R1461 VanDerWaalsContact C-N 3.31Å; S1459-R1461 PolarHBondContact O-N 3.33Å; R1461-Y1612 PolarHBondContact O-OH 3.45Å | ||
| 1462 | I | 83.1 | Confident | 83.7 | Confident | 3 Ų | 3 | 31.7 Ų | 31.7 | 2% | 0.015 | 16% | 0.161 | C | C | . | . | trans | -82.4 | 138.1 | 180 | -165.9 | 171.3 | 0 | 0 | 0 | 111.7 | A1430 N1431 L1434 L1460 Q1466 L1467 L1504 | A1430-I1462 HydrophobicContact CB-CD1 4.43Å; N1431-I1462 VanDerWaalsContact ND2-CD1 3.33Å; N1431-I1462 WeakPolarHBondContact ND2-CD1 3.34Å; L1434-I1462 HydrophobicContact CD1-CD1 4.47Å; L1434-I1462 HydrophobicContact CD1-CG2 4.03Å; L1460-I1462 PolarHBondContact O-N 2.99Å; I1462-Q1466 HydrophobicContact CD1-CB 4.43Å; I1462-Q1466 HydrophobicContact CG1-CB 3.84Å; I1462-L1467 HydrophobicContact CD1-CD1 4.26Å; I1462-L1504 HydrophobicContact CG2-CB 4.26Å; I1462-L1504 HydrophobicContact CG2-CD2 3.5Å; I1462-L1504 HydrophobicContact CG2-CG 4.48Å | ||
| 1463 | V | 76.3 | Confident | 83.6 | Confident | 10 Ų | 10 | 27.8 Ų | 27.8 | 6% | 0.061 | 15% | 0.145 | C | C | . | . | trans | -100.3 | 156.9 | 173.9 | 172.7 | 0 | 0 | 0 | 0 | 110.8 | S1465 Q1466 L1467 P1503 Y1612 | V1463-S1465 PolarHBondContact O-N 2.88Å; V1463-S1465 VanDerWaalsContact O-N 3.15Å; V1463-Q1466 WeakPolarHBondContact O-CA 3.42Å; V1463-Q1466 WeakPolarHBondContact O-CB 3.38Å; V1463-Q1466 PolarHBondContact O-N 3.19Å; V1463-L1467 PolarHBondContact O-N 2.91Å; V1463-P1503 HydrophobicContact CG2-CG 4.07Å; V1463-Y1612 HydrophobicContact CB-CD2 4.06Å; V1463-Y1612 HydrophobicContact CB-CE2 4.03Å; V1463-Y1612 HydrophobicContact CG2-CD2 3.36Å; V1463-Y1612 HydrophobicContact CG2-CE2 3.11Å; V1463-Y1612 HydrophobicContact CG2-CG 4.21Å | ||
| 1464 | L | 76.7 | Confident | 83.6 | Confident | 13 Ų | 13 | 26.9 Ų | 26.9 | 7% | 0.068 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -52.2 | -36.2 | 179.8 | -71.2 | 169.6 | 0 | 0 | 0 | 112.9 | Q1466 L1467 L1471 L1504 L1507 W1576 | L1464-Q1466 PolarHBondContact O-N 3.07Å; L1464-L1467 PolarHBondContact O-N 3.28Å; L1464-L1471 HydrophobicContact CD2-CD1 4.01Å; L1464-L1471 HydrophobicContact CD2-CD2 4.04Å; L1464-L1504 HydrophobicContact CD2-CD1 3.7Å; L1464-L1507 HydrophobicContact CD1-CD2 4.4Å; L1464-L1507 HydrophobicContact CD2-CD2 4.23Å; L1464-W1576 VanDerWaalsContact C-CH2 3.44Å; L1464-W1576 HydrophobicContact CB-CD2 3.91Å; L1464-W1576 HydrophobicContact CB-CE3 3.88Å; L1464-W1576 HydrophobicContact CB-CH2 3.77Å; L1464-W1576 HydrophobicContact CB-CZ2 3.75Å; L1464-W1576 HydrophobicContact CB-CZ3 3.82Å; L1464-W1576 HydrophobicContact CD1-CD2 4.23Å; L1464-W1576 HydrophobicContact CD1-CG 4.26Å; L1464-W1576 WeakPolarHBondContact O-CZ3 3.49Å |
| 1465 | S | 75.4 | Confident | 83.7 | Confident | 27 Ų | 27 | 24.5 Ų | 24.5 | 19% | 0.189 | 13% | 0.13 | C | C | . | . | G | 310 helix | trans | -70.1 | -11.6 | 177.3 | 59.1 | 0 | 0 | 0 | 0 | 115.3 | V1463 W1576 N1588 | V1463-S1465 PolarHBondContact O-N 2.88Å; V1463-S1465 VanDerWaalsContact O-N 3.15Å; S1465-W1576 VanDerWaalsContact CA-CH2 3.45Å; S1465-W1576 VanDerWaalsContact N-CH2 3.3Å; S1465-N1588 PolarHBondContact O-ND2 3.48Å |
| 1466 | Q | 81.5 | Confident | 83.8 | Confident | 25 Ų | 25 | 24.8 Ų | 24.8 | 12% | 0.117 | 13% | 0.131 | C | C | . | . | G | 310 helix | trans | -106.6 | -3.4 | 179.4 | -56.8 | -178.1 | -47.7 | 0 | 0 | 112.5 | P1427 N1431 I1462 V1463 L1464 V1468 N1588 L1589 | P1427-Q1466 HydrophobicContact CB-CB 4.37Å; N1431-Q1466 PolarHBondContact ND2-O 3.4Å; I1462-Q1466 HydrophobicContact CD1-CB 4.43Å; I1462-Q1466 HydrophobicContact CG1-CB 3.84Å; V1463-Q1466 WeakPolarHBondContact O-CA 3.42Å; V1463-Q1466 WeakPolarHBondContact O-CB 3.38Å; V1463-Q1466 PolarHBondContact O-N 3.19Å; L1464-Q1466 PolarHBondContact O-N 3.07Å; Q1466-V1468 PolarHBondContact O-N 2.82Å; Q1466-N1588 WeakPolarHBondContact CG-O 3.09Å; Q1466-N1588 PolarHBondContact NE2-O 2.89Å; Q1466-L1589 HydrophobicContact CB-CD2 4.09Å; Q1466-L1589 WeakPolarHBondContact O-CD2 3.2Å |
| 1467 | L | 81.7 | Confident | 83.7 | Confident | 10 Ų | 10 | 28.1 Ų | 28.1 | 5% | 0.052 | 15% | 0.153 | C | C | . | . | trans | -80 | 115.8 | -177.5 | -174 | 69.2 | 0 | 0 | 0 | 110.2 | L1434 I1462 V1463 L1464 I1469 L1471 F1474 L1504 I1583 | L1434-L1467 HydrophobicContact CD1-CD1 4.41Å; I1462-L1467 HydrophobicContact CD1-CD1 4.26Å; V1463-L1467 PolarHBondContact O-N 2.91Å; L1464-L1467 PolarHBondContact O-N 3.28Å; L1467-I1469 WeakPolarHBondContact CD2-O 3.44Å; L1467-I1469 WeakPolarHBondContact CG-O 3.4Å; L1467-L1471 HydrophobicContact CD2-CB 4.35Å; L1467-L1471 HydrophobicContact CD2-CD1 4.41Å; L1467-F1474 HydrophobicContact CD1-CE2 4Å; L1467-F1474 HydrophobicContact CD1-CZ 4.45Å; L1467-F1474 HydrophobicContact CD2-CD2 4.28Å; L1467-F1474 HydrophobicContact CD2-CE2 4.06Å; L1467-F1474 HydrophobicContact CG-CE2 4.43Å; L1467-L1504 HydrophobicContact CD1-CD2 3.73Å; L1467-L1504 HydrophobicContact CD2-CD1 4.01Å; L1467-L1504 HydrophobicContact CD2-CD2 4.26Å; L1467-L1504 HydrophobicContact CG-CD2 4.46Å; L1467-I1583 WeakPolarHBondContact O-CD1 3.46Å | ||
| 1468 | V | 80.7 | Confident | 83.6 | Confident | 8 Ų | 8 | 30.7 Ų | 30.7 | 5% | 0.048 | 17% | 0.168 | C | C | . | . | trans | -73 | -37.9 | -178.7 | 173.1 | 0 | 0 | 0 | 0 | 111.9 | L1374 Y1375 N1431 Q1466 L1589 | L1374-V1468 HydrophobicContact CB-CG1 4.14Å; Y1375-V1468 HydrophobicContact CD2-CG1 4.11Å; Y1375-V1468 HydrophobicContact CG-CG1 4.43Å; Y1375-V1468 VanDerWaalsContact N-CG1 3.35Å; N1431-V1468 HydrophobicContact CB-CB 4.36Å; N1431-V1468 HydrophobicContact CB-CG2 4.26Å; N1431-V1468 WeakPolarHBondContact OD1-CB 3.31Å; N1431-V1468 PolarHBondContact OD1-N 3.41Å; Q1466-V1468 PolarHBondContact O-N 2.82Å; V1468-L1589 HydrophobicContact CG2-CD1 4.24Å | ||
| 1469 | I | 82.9 | Confident | 83.8 | Confident | 4 Ų | 4 | 27.7 Ų | 27.7 | 2% | 0.021 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -85.9 | 137.4 | -178.3 | -62.4 | 164 | 0 | 0 | 0 | 109.6 | P1379 W1435 Q1438 L1467 L1471 F1474 | P1379-I1469 HydrophobicContact CB-CG2 4.17Å; W1435-I1469 HydrophobicContact CB-CD1 3.82Å; W1435-I1469 HydrophobicContact CG-CD1 3.79Å; Q1438-I1469 HydrophobicContact CG-CG2 4.23Å; L1467-I1469 WeakPolarHBondContact CD2-O 3.44Å; L1467-I1469 WeakPolarHBondContact CG-O 3.4Å; I1469-L1471 PolarHBondContact O-N 2.94Å; I1469-F1474 HydrophobicContact CB-CE2 3.82Å; I1469-F1474 HydrophobicContact CB-CZ 4.15Å; I1469-F1474 HydrophobicContact CD1-CE2 4.5Å; I1469-F1474 HydrophobicContact CD1-CZ 3.97Å; I1469-F1474 HydrophobicContact CG2-CD2 4.45Å; I1469-F1474 HydrophobicContact CG2-CE2 3.61Å; I1469-F1474 HydrophobicContact CG2-CZ 4Å |
| 1470 | P | 82.2 | Confident | 83.8 | Confident | 41 Ų | 41 | 31.6 Ų | 31.6 | 27% | 0.266 | 18% | 0.179 | S | C | . | . | trans | -53.6 | 131.3 | 177 | -27.7 | 36.4 | 0 | 0 | 0 | 112.6 | P1379 S1472 S1473 | P1379-P1470 HydrophobicContact CG-CG 4Å; P1470-S1472 PolarHBondContact O-N 3.33Å; P1470-S1472 VanDerWaalsContact O-N 3.09Å; P1470-S1473 WeakPolarHBondContact O-CB 3.5Å; P1470-S1473 PolarHBondContact O-N 3.42Å | ||
| 1471 | L | 84.3 | Confident | 83.9 | Confident | 8 Ų | 8 | 34.2 Ų | 34.2 | 4% | 0.042 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -35.4 | -179.6 | 176.6 | 65 | 0 | 0 | 0 | 112.1 | L1464 L1467 I1469 S1473 F1474 L1475 L1504 L1507 P1572 W1576 | L1464-L1471 HydrophobicContact CD2-CD1 4.01Å; L1464-L1471 HydrophobicContact CD2-CD2 4.04Å; L1467-L1471 HydrophobicContact CD2-CB 4.35Å; L1467-L1471 HydrophobicContact CD2-CD1 4.41Å; I1469-L1471 PolarHBondContact O-N 2.94Å; L1471-S1473 PolarHBondContact O-N 3.01Å; L1471-F1474 PolarHBondContact O-N 3.49Å; L1471-F1474 VanDerWaalsContact O-N 3.07Å; L1471-L1475 HydrophobicContact CD1-CD1 4.19Å; L1471-L1475 HydrophobicContact CD1-CG 4.32Å; L1471-L1475 HydrophobicContact CD2-CD1 4.11Å; L1471-L1475 HydrophobicContact CG-CD1 3.79Å; L1471-L1475 HydrophobicContact CG-CG 4.27Å; L1471-L1475 WeakPolarHBondContact O-CG 3.35Å; L1471-L1475 PolarHBondContact O-N 3.27Å; L1471-L1504 HydrophobicContact CD1-CD1 3.64Å; L1471-L1507 HydrophobicContact CD1-CD2 4.25Å; L1471-L1507 HydrophobicContact CD2-CD2 3.96Å; L1471-P1572 HydrophobicContact CD2-CB 4.08Å; L1471-P1572 HydrophobicContact CD2-CG 4.44Å; L1471-W1576 HydrophobicContact CD2-CB 4.02Å |
| 1472 | S | 85 | Confident | 84.1 | Confident | 47 Ų | 47 | 30.5 Ų | 30.5 | 33% | 0.329 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -54.1 | -34.7 | 177.1 | 53.9 | 0 | 0 | 0 | 0 | 113 | P1470 F1474 L1475 E1476 | P1470-S1472 PolarHBondContact O-N 3.33Å; P1470-S1472 VanDerWaalsContact O-N 3.09Å; S1472-F1474 PolarHBondContact O-N 3.45Å; S1472-L1475 PolarHBondContact O-N 2.94Å; S1472-L1475 VanDerWaalsContact O-N 3.1Å; S1472-E1476 PolarHBondContact O-N 3.29Å |
| 1473 | S | 87.1 | Confident | 84.4 | Confident | 21 Ų | 21 | 32.4 Ų | 32.4 | 15% | 0.147 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.7 | -17.7 | -179.1 | -58.8 | 0 | 0 | 0 | 0 | 113.7 | P1379 Q1438 Q1439 P1470 L1471 | P1379-S1473 VanDerWaalsContact CB-OG 3.26Å; P1379-S1473 WeakPolarHBondContact CB-OG 3.34Å; Q1438-S1473 CarbonylContact C-O 3.53Å; Q1438-S1473 WeakPolarHBondContact CA-O 3.29Å; Q1439-S1473 PolarHBondContact N-O 3.08Å; P1470-S1473 WeakPolarHBondContact O-CB 3.5Å; P1470-S1473 PolarHBondContact O-N 3.42Å; L1471-S1473 PolarHBondContact O-N 3.01Å |
| 1474 | F | 89.9 | Confident | 85.2 | Confident | 5 Ų | 5 | 32 Ų | 32 | 2% | 0.022 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -96.2 | -17.3 | 174.6 | -63.1 | -79.1 | 0 | 0 | 0 | 113.5 | L1434 C1437 Q1438 Q1439 L1467 I1469 L1471 S1472 I1508 H1512 | L1434-F1474 HydrophobicContact CB-CE1 4.25Å; L1434-F1474 HydrophobicContact CB-CZ 4.14Å; L1434-F1474 WeakPolarHBondContact O-CE1 3.4Å; C1437-F1474 HydrophobicContact CB-CE1 4.27Å; Q1438-F1474 HydrophobicContact CG-CE1 4.16Å; Q1438-F1474 HydrophobicContact CG-CZ 4.3Å; Q1439-F1474 VanDerWaalsContact CG-O 3.24Å; Q1439-F1474 WeakPolarHBondContact CG-O 3.32Å; Q1439-F1474 PolarHBondContact NE2-O 3.22Å; Q1439-F1474 VanDerWaalsContact NE2-O 3.07Å; L1467-F1474 HydrophobicContact CD1-CE2 4Å; L1467-F1474 HydrophobicContact CD1-CZ 4.45Å; L1467-F1474 HydrophobicContact CD2-CD2 4.28Å; L1467-F1474 HydrophobicContact CD2-CE2 4.06Å; L1467-F1474 HydrophobicContact CG-CE2 4.43Å; I1469-F1474 HydrophobicContact CB-CE2 3.82Å; I1469-F1474 HydrophobicContact CB-CZ 4.15Å; I1469-F1474 HydrophobicContact CD1-CE2 4.5Å; I1469-F1474 HydrophobicContact CD1-CZ 3.97Å; I1469-F1474 HydrophobicContact CG2-CD2 4.45Å; I1469-F1474 HydrophobicContact CG2-CE2 3.61Å; I1469-F1474 HydrophobicContact CG2-CZ 4Å; L1471-F1474 PolarHBondContact O-N 3.49Å; L1471-F1474 VanDerWaalsContact O-N 3.07Å; S1472-F1474 PolarHBondContact O-N 3.45Å; F1474-I1508 HydrophobicContact CB-CD1 3.96Å; F1474-I1508 HydrophobicContact CB-CG1 4.17Å; F1474-I1508 HydrophobicContact CD1-CD1 4.39Å; F1474-I1508 HydrophobicContact CG-CD1 4.19Å; F1474-H1512 PolarHBondContact O-NE2 2.81Å |
| 1475 | L | 89.4 | Confident | 86 | Confident | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -104.7 | -34.8 | -173.8 | -58.9 | -175.8 | 0 | 0 | 0 | 112.5 | L1471 S1472 P1477 I1508 H1511 H1512 P1572 L1577 | L1471-L1475 HydrophobicContact CD1-CD1 4.19Å; L1471-L1475 HydrophobicContact CD1-CG 4.32Å; L1471-L1475 HydrophobicContact CD2-CD1 4.11Å; L1471-L1475 HydrophobicContact CG-CD1 3.79Å; L1471-L1475 HydrophobicContact CG-CG 4.27Å; L1471-L1475 WeakPolarHBondContact O-CG 3.35Å; L1471-L1475 PolarHBondContact O-N 3.27Å; S1472-L1475 PolarHBondContact O-N 2.94Å; S1472-L1475 VanDerWaalsContact O-N 3.1Å; L1475-P1477 CarbonylContact O-C 3.45Å; L1475-I1508 HydrophobicContact CD2-CG1 4.17Å; L1475-H1511 HydrophobicContact CD2-CB 3.81Å; L1475-H1512 PolarHBondContact O-CE1 3.2Å; L1475-P1572 HydrophobicContact CD1-CB 4.43Å; L1475-P1572 HydrophobicContact CD1-CG 3.68Å; L1475-L1577 HydrophobicContact CD1-CD2 4.38Å |
| 1476 | E | 85.4 | Confident | 86.7 | Confident | 100 Ų | 100 | 33.8 Ų | 33.8 | 47% | 0.467 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -119.4 | 136.3 | -176.7 | -63.8 | -65.7 | 168.9 | 0 | 0 | 110.8 | S1472 | S1472-E1476 PolarHBondContact O-N 3.29Š|
| 1477 | P | 88.5 | Confident | 87.2 | Confident | 71 Ų | 71 | 34 Ų | 34 | 46% | 0.461 | 20% | 0.2 | S | C | . | . | S | Bend | cis | -65.6 | 154.6 | -7.5 | 29.2 | -36.4 | 0 | 0 | 0 | 112.6 | Q1439 L1475 | Q1439-P1477 HydrophobicContact CB-CG 4.28Å; Q1439-P1477 VanDerWaalsContact CG-O 3.28Å; Q1439-P1477 WeakPolarHBondContact CG-O 3.36Å; Q1439-P1477 PolarHBondContact OE1-O 3.05Å; L1475-P1477 CarbonylContact O-C 3.45Å |
| 1478 | V | 86.3 | Confident | 87.8 | Confident | 53 Ų | 53 | 33.6 Ų | 33.6 | 32% | 0.321 | 20% | 0.198 | S | C | . | . | P | Polyproline II helix | trans | -58.8 | 136.4 | 177.5 | 176.8 | 0 | 0 | 0 | 0 | 111.2 | S1480 R1515 | V1478-S1480 PolarHBondContact O-N 3.18Å; V1478-R1515 HydrophobicContact CB-CB 4.43Å; V1478-R1515 HydrophobicContact CG1-CB 3.43Å; V1478-R1515 VanDerWaalsContact CG1-CB 3.43Å; V1478-R1515 HydrophobicContact CG1-CG 4.25Å; V1478-R1515 HydrophobicContact CG2-CB 4.08Å; V1478-R1515 HydrophobicContact CG2-CG 4.07Å |
| 1479 | E | 89.5 | Confident | 88.3 | Confident | 8 Ų | 8 | 33.4 Ų | 33.4 | 4% | 0.037 | 20% | 0.197 | C | C | . | . | P | Polyproline II helix | trans | -62.2 | 118.1 | 178.4 | -178.2 | 64.6 | -101.3 | 0 | 0 | 111.5 | R1446 N1481 M1484 I1485 Y1488 H1512 | R1446-E1479 IonicContact CZ-OE2 3.7Å; R1446-E1479 VanDerWaalsContact CZ-OE2 3.25Å; R1446-E1479 IonicContact NE-OE2 3.72Å; R1446-E1479 PolarHBondContact NE-OE2 3.21Å; R1446-E1479 IonicContact NH2-OE1 2.74Å; R1446-E1479 IonicContact NH2-OE2 3.25Å; R1446-E1479 PolarHBondContact NH2-OE2 3.17Å; E1479-N1481 WeakPolarHBondContact OE1-CB 3.49Å; E1479-N1481 PolarHBondContact OE1-N 3.46Å; E1479-M1484 HydrophobicContact CG-CB 4.04Å; E1479-M1484 HydrophobicContact CG-CG 4.19Å; E1479-I1485 HydrophobicContact CB-CD1 3.99Å; E1479-I1485 HydrophobicContact CG-CD1 3.85Å; E1479-I1485 HydrophobicContact CG-CG1 4.21Å; E1479-Y1488 HydrophobicContact CG-CE2 4.26Å; E1479-H1512 HydrophobicContact CB-CB 4.05Å; E1479-H1512 WeakPolarHBondContact CB-ND1 3.39Å; E1479-H1512 PolarHBondContact N-ND1 3.38Å |
| 1480 | S | 84.9 | Confident | 88.6 | Confident | 98 Ų | 98 | 35.6 Ų | 35.6 | 69% | 0.685 | 22% | 0.216 | S | C | * | . | trans | -96.8 | -16.5 | 178.5 | 58.5 | 0 | 0 | 0 | 0 | 112.7 | V1478 S1482 | V1478-S1480 PolarHBondContact O-N 3.18Å; S1480-S1482 PolarHBondContact O-N 3.03Å | ||
| 1481 | N | 88.3 | Confident | 89 | Confident | 55 Ų | 55 | 33.7 Ų | 33.7 | 29% | 0.294 | 20% | 0.203 | S | C | . | . | trans | -76.2 | 110.2 | -175.4 | -167.9 | -42.3 | 0 | 0 | 0 | 111.9 | V1443 E1479 S1483 M1484 I1485 | V1443-N1481 HydrophobicContact CG2-CB 4.21Å; E1479-N1481 WeakPolarHBondContact OE1-CB 3.49Å; E1479-N1481 PolarHBondContact OE1-N 3.46Å; N1481-S1483 PolarHBondContact O-N 3.18Å; N1481-S1483 VanDerWaalsContact O-N 3.14Å; N1481-S1483 WeakPolarHBondContact OD1-CB 3.16Å; N1481-S1483 PolarHBondContact OD1-N 3.45Å; N1481-S1483 PolarHBondContact OD1-OG 3.22Å; N1481-M1484 HydrophobicContact CB-CB 4.25Å; N1481-M1484 PolarHBondContact O-N 3.06Å; N1481-I1485 WeakPolarHBondContact O-CG1 3.36Å; N1481-I1485 PolarHBondContact O-N 3.08Å; N1481-I1485 VanDerWaalsContact O-N 3.15Å | ||
| 1482 | S | 87.5 | Confident | 89.2 | Confident | 33 Ų | 33 | 33.5 Ų | 33.5 | 23% | 0.231 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -55.1 | -33.2 | 179.7 | -168.8 | 0 | 0 | 0 | 0 | 113.9 | S1480 R1486 Y1516 F1527 | S1480-S1482 PolarHBondContact O-N 3.03Å; S1482-R1486 PolarHBondContact O-N 3.42Å; S1482-R1486 VanDerWaalsContact O-N 3.08Å; S1482-Y1516 WeakPolarHBondContact CB-OH 3.48Å; S1482-Y1516 PolarHBondContact OG-OH 2.91Å; S1482-F1527 WeakPolarHBondContact OG-CB 3.33Å |
| 1483 | S | 88.5 | Confident | 89.2 | Confident | 43 Ų | 43 | 33.1 Ų | 33.1 | 30% | 0.301 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -67.8 | -40.7 | 178.6 | 71.7 | 0 | 0 | 0 | 0 | 111.8 | N1481 R1486 V1487 | N1481-S1483 PolarHBondContact O-N 3.18Å; N1481-S1483 VanDerWaalsContact O-N 3.14Å; N1481-S1483 WeakPolarHBondContact OD1-CB 3.16Å; N1481-S1483 PolarHBondContact OD1-N 3.45Å; N1481-S1483 PolarHBondContact OD1-OG 3.22Å; S1483-R1486 WeakPolarHBondContact O-CB 3.32Å; S1483-R1486 PolarHBondContact O-N 3.31Å; S1483-V1487 WeakPolarHBondContact O-CG2 3.41Å; S1483-V1487 PolarHBondContact O-N 3.49Å |
| 1484 | M | 93.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -68.4 | -39.3 | 178.3 | -166.7 | 64.2 | -152 | 0 | 0 | 111.3 | V1443 R1446 R1447 W1450 E1479 N1481 R1486 V1487 Y1488 | V1443-M1484 HydrophobicContact CG2-CB 4.01Å; V1443-M1484 HydrophobicContact CG2-CG 4.21Å; V1443-M1484 HydrophobicContact CG2-SD 4.38Å; R1446-M1484 HydrophobicContact CB-CE 3.61Å; R1446-M1484 HydrophobicContact CB-SD 3.79Å; R1446-M1484 WeakPolarHBondContact O-CE 3.49Å; R1447-M1484 HydrophobicContact CB-SD 4.22Å; W1450-M1484 HydrophobicContact CB-CE 3.57Å; W1450-M1484 HydrophobicContact CD2-CE 4.42Å; W1450-M1484 HydrophobicContact CG-CE 3.6Å; E1479-M1484 HydrophobicContact CG-CB 4.04Å; E1479-M1484 HydrophobicContact CG-CG 4.19Å; N1481-M1484 HydrophobicContact CB-CB 4.25Å; N1481-M1484 PolarHBondContact O-N 3.06Å; M1484-R1486 VanDerWaalsContact C-N 3.3Å; M1484-R1486 PolarHBondContact O-N 3.25Å; M1484-V1487 WeakPolarHBondContact O-CB 3.35Å; M1484-V1487 PolarHBondContact O-N 3.18Å; M1484-V1487 VanDerWaalsContact O-N 3.09Å; M1484-Y1488 HydrophobicContact CE-CD1 3.97Å; M1484-Y1488 HydrophobicContact CE-CE1 3.34Å; M1484-Y1488 HydrophobicContact CE-CE2 4.08Å; M1484-Y1488 VanDerWaalsContact CE-CZ 3.4Å; M1484-Y1488 HydrophobicContact CG-CD2 4.27Å; M1484-Y1488 HydrophobicContact CG-CE2 3.69Å; M1484-Y1488 WeakPolarHBondContact O-CD2 3.42Å; M1484-Y1488 PolarHBondContact O-N 2.67Å |
| 1485 | I | 92.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.8 | -39 | 174.5 | -60.5 | -66.6 | 0 | 0 | 0 | 111.6 | E1479 N1481 V1487 Y1488 A1489 H1512 L1513 Y1516 F1527 | E1479-I1485 HydrophobicContact CB-CD1 3.99Å; E1479-I1485 HydrophobicContact CG-CD1 3.85Å; E1479-I1485 HydrophobicContact CG-CG1 4.21Å; N1481-I1485 WeakPolarHBondContact O-CG1 3.36Å; N1481-I1485 PolarHBondContact O-N 3.08Å; N1481-I1485 VanDerWaalsContact O-N 3.15Å; I1485-V1487 VanDerWaalsContact C-N 3.32Å; I1485-V1487 PolarHBondContact O-N 3.08Å; I1485-Y1488 HydrophobicContact CD1-CD2 4.27Å; I1485-Y1488 PolarHBondContact O-N 3.12Å; I1485-A1489 WeakPolarHBondContact O-CB 3.45Å; I1485-A1489 PolarHBondContact O-N 3.41Å; I1485-H1512 HydrophobicContact CD1-CB 3.91Å; I1485-L1513 HydrophobicContact CG2-CD1 3.75Å; I1485-Y1516 HydrophobicContact CB-CG 4.43Å; I1485-Y1516 HydrophobicContact CD1-CD2 4.13Å; I1485-Y1516 HydrophobicContact CD1-CG 4.11Å; I1485-Y1516 HydrophobicContact CG1-CD1 4.48Å; I1485-Y1516 HydrophobicContact CG1-CD2 3.6Å; I1485-Y1516 HydrophobicContact CG1-CE2 4.11Å; I1485-Y1516 HydrophobicContact CG1-CG 3.8Å; I1485-Y1516 HydrophobicContact CG2-CD1 4.02Å; I1485-Y1516 HydrophobicContact CG2-CG 4.05Å; I1485-F1527 HydrophobicContact CG2-CD1 3.77Å; I1485-F1527 HydrophobicContact CG2-CE1 3.34Å; I1485-F1527 HydrophobicContact CG2-CE2 4.43Å; I1485-F1527 HydrophobicContact CG2-CG 4.47Å; I1485-F1527 HydrophobicContact CG2-CZ 3.71Å |
| 1486 | R | 91.7 | Very high | 88.6 | Confident | 79 Ų | 79 | 38.7 Ų | 38.7 | 30% | 0.298 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -59.1 | -43.9 | 172.3 | -80.5 | -177 | -145.7 | -151.1 | 17.9 | 111.6 | S1482 S1483 M1484 A1489 A1490 E1526 F1527 | S1482-R1486 PolarHBondContact O-N 3.42Å; S1482-R1486 VanDerWaalsContact O-N 3.08Å; S1483-R1486 WeakPolarHBondContact O-CB 3.32Å; S1483-R1486 PolarHBondContact O-N 3.31Å; M1484-R1486 VanDerWaalsContact C-N 3.3Å; M1484-R1486 PolarHBondContact O-N 3.25Å; R1486-A1489 PolarHBondContact O-N 3.15Å; R1486-A1490 WeakPolarHBondContact O-CB 3.43Å; R1486-A1490 PolarHBondContact O-N 2.69Å; R1486-E1526 IonicContact CZ-OE1 3.77Å; R1486-E1526 IonicContact CZ-OE2 2.94Å; R1486-E1526 IonicContact NH1-OE1 3.81Å; R1486-E1526 PolarHBondContact NH1-OE1 2.88Å; R1486-E1526 IonicContact NH1-OE2 3.37Å; R1486-E1526 IonicContact NH2-OE1 2.8Å; R1486-E1526 PolarHBondContact NH2-OE1 3.12Å; R1486-E1526 IonicContact NH2-OE2 3.64Å; R1486-E1526 PolarHBondContact NH2-OE2 3.46Å; R1486-F1527 HydrophobicContact CB-CD2 4.4Å; R1486-F1527 HydrophobicContact CG-CB 4.36Å; R1486-F1527 HydrophobicContact CG-CD2 3.37Å; R1486-F1527 HydrophobicContact CG-CE2 3.97Å; R1486-F1527 HydrophobicContact CG-CG 4.14Å |
| 1487 | V | 92.2 | Very high | 88.8 | Confident | 29 Ų | 29 | 34 Ų | 34 | 18% | 0.176 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.8 | -44.3 | 179.9 | 179.6 | 0 | 0 | 0 | 0 | 111.1 | W1450 S1483 M1484 I1485 A1489 A1490 A1491 | W1450-V1487 HydrophobicContact CB-CG1 3.58Å; W1450-V1487 WeakPolarHBondContact O-CG1 3.17Å; S1483-V1487 WeakPolarHBondContact O-CG2 3.41Å; S1483-V1487 PolarHBondContact O-N 3.49Å; M1484-V1487 WeakPolarHBondContact O-CB 3.35Å; M1484-V1487 PolarHBondContact O-N 3.18Å; M1484-V1487 VanDerWaalsContact O-N 3.09Å; I1485-V1487 VanDerWaalsContact C-N 3.32Å; I1485-V1487 PolarHBondContact O-N 3.08Å; V1487-A1489 VanDerWaalsContact C-N 3.35Å; V1487-A1489 PolarHBondContact O-N 3.34Å; V1487-A1490 PolarHBondContact O-N 3.07Å; V1487-A1491 WeakPolarHBondContact O-CB 3.36Å; V1487-A1491 PolarHBondContact O-N 2.97Å |
| 1488 | Y | 94.1 | Very high | 88.7 | Confident | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.008 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.4 | -45.2 | 173.8 | -69.7 | -41 | 0 | 0 | 0 | 112.5 | W1450 E1479 M1484 I1485 A1491 I1492 I1508 A1509 H1512 | W1450-Y1488 AromaticContact CD2-CD1 3.68Å; W1450-Y1488 HydrophobicContact CD2-CD1 3.68Å; W1450-Y1488 AromaticContact CD2-CE1 3.54Å; W1450-Y1488 HydrophobicContact CD2-CE1 3.54Å; W1450-Y1488 AromaticContact CE2-CD1 3.96Å; W1450-Y1488 AromaticContact CE2-CE1 3.46Å; W1450-Y1488 VanDerWaalsContact CE2-CE1 3.46Å; W1450-Y1488 AromaticContact CE3-CD1 3.57Å; W1450-Y1488 HydrophobicContact CE3-CD1 3.57Å; W1450-Y1488 AromaticContact CE3-CE1 3.95Å; W1450-Y1488 HydrophobicContact CE3-CE1 3.95Å; W1450-Y1488 HydrophobicContact CG-CD1 4.28Å; W1450-Y1488 AromaticContact CG-CE1 3.93Å; W1450-Y1488 HydrophobicContact CG-CE1 3.93Å; W1450-Y1488 AromaticContact CH2-CD1 3.97Å; W1450-Y1488 HydrophobicContact CH2-CD1 3.97Å; W1450-Y1488 HydrophobicContact CH2-CE1 4.11Å; W1450-Y1488 HydrophobicContact CZ2-CD1 4.1Å; W1450-Y1488 AromaticContact CZ2-CE1 3.76Å; W1450-Y1488 HydrophobicContact CZ2-CE1 3.76Å; W1450-Y1488 AromaticContact CZ3-CD1 3.72Å; W1450-Y1488 HydrophobicContact CZ3-CD1 3.72Å; W1450-Y1488 HydrophobicContact CZ3-CE1 4.21Å; W1450-Y1488 AromaticContact NE1-CE1 3.8Å; E1479-Y1488 HydrophobicContact CG-CE2 4.26Å; M1484-Y1488 HydrophobicContact CE-CD1 3.97Å; M1484-Y1488 HydrophobicContact CE-CE1 3.34Å; M1484-Y1488 HydrophobicContact CE-CE2 4.08Å; M1484-Y1488 VanDerWaalsContact CE-CZ 3.4Å; M1484-Y1488 HydrophobicContact CG-CD2 4.27Å; M1484-Y1488 HydrophobicContact CG-CE2 3.69Å; M1484-Y1488 WeakPolarHBondContact O-CD2 3.42Å; M1484-Y1488 PolarHBondContact O-N 2.67Å; I1485-Y1488 HydrophobicContact CD1-CD2 4.27Å; I1485-Y1488 PolarHBondContact O-N 3.12Å; Y1488-A1491 PolarHBondContact O-N 2.75Å; Y1488-I1492 PolarHBondContact O-N 3.48Å; Y1488-I1492 VanDerWaalsContact O-N 3.13Å; Y1488-I1508 HydrophobicContact CE1-CG2 4.41Å; Y1488-A1509 HydrophobicContact CD1-CB 3.87Å; Y1488-A1509 HydrophobicContact CG-CB 4.02Å; Y1488-H1512 HydrophobicContact CD2-CB 4.11Å; Y1488-H1512 HydrophobicContact CE2-CB 4.02Å |
| 1489 | A | 90.2 | Very high | 88.5 | Confident | 4 Ų | 4 | 29.8 Ų | 29.8 | 3% | 0.033 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.9 | -43.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | I1485 R1486 V1487 A1491 L1493 L1513 F1527 F1531 | I1485-A1489 WeakPolarHBondContact O-CB 3.45Å; I1485-A1489 PolarHBondContact O-N 3.41Å; R1486-A1489 PolarHBondContact O-N 3.15Å; V1487-A1489 VanDerWaalsContact C-N 3.35Å; V1487-A1489 PolarHBondContact O-N 3.34Å; A1489-A1491 VanDerWaalsContact C-N 3.34Å; A1489-A1491 PolarHBondContact O-N 3.35Å; A1489-L1493 VanDerWaalsContact O-CB 3.25Å; A1489-L1493 WeakPolarHBondContact O-CB 3.38Å; A1489-L1493 VanDerWaalsContact O-CG 3.22Å; A1489-L1493 WeakPolarHBondContact O-CG 3.48Å; A1489-L1493 PolarHBondContact O-N 2.92Å; A1489-L1513 HydrophobicContact CB-CD1 4.34Å; A1489-L1513 HydrophobicContact CB-CD2 4.1Å; A1489-F1527 HydrophobicContact CB-CE2 3.99Å; A1489-F1527 HydrophobicContact CB-CZ 3.91Å; A1489-F1531 HydrophobicContact CB-CE2 4.37Å |
| 1490 | A | 89.2 | Confident | 88 | Confident | 50 Ų | 50 | 30.8 Ų | 30.8 | 41% | 0.413 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61.7 | -41.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | R1486 V1487 S1494 | R1486-A1490 WeakPolarHBondContact O-CB 3.43Å; R1486-A1490 PolarHBondContact O-N 2.69Å; V1487-A1490 PolarHBondContact O-N 3.07Å; A1490-S1494 WeakPolarHBondContact O-CB 3.49Å; A1490-S1494 PolarHBondContact O-N 3.38Å; A1490-S1494 PolarHBondContact O-OG 3.44Å |
| 1491 | A | 90.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.8 | -45.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | W1450 L1457 V1487 Y1488 A1489 S1494 T1496 V1497 | W1450-A1491 HydrophobicContact CE3-CB 3.92Å; W1450-A1491 HydrophobicContact CZ3-CB 3.98Å; L1457-A1491 HydrophobicContact CD1-CB 4.4Å; V1487-A1491 WeakPolarHBondContact O-CB 3.36Å; V1487-A1491 PolarHBondContact O-N 2.97Å; Y1488-A1491 PolarHBondContact O-N 2.75Å; A1489-A1491 VanDerWaalsContact C-N 3.34Å; A1489-A1491 PolarHBondContact O-N 3.35Å; A1491-S1494 PolarHBondContact O-OG 3.05Å; A1491-T1496 VanDerWaalsContact CA-OG1 3.26Å; A1491-T1496 WeakPolarHBondContact CA-OG1 3.27Å; A1491-T1496 PolarHBondContact O-N 3.21Å; A1491-T1496 PolarHBondContact O-OG1 3.17Å; A1491-V1497 HydrophobicContact CB-CB 4.46Å; A1491-V1497 HydrophobicContact CB-CG2 4Å; A1491-V1497 PolarHBondContact O-N 3.42Å; A1491-V1497 VanDerWaalsContact O-N 3.14Å |
| 1492 | I | 88.5 | Confident | 87.8 | Confident | 5 Ų | 5 | 29.4 Ų | 29.4 | 3% | 0.026 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -69.8 | -47.4 | 177 | -66.4 | 169.1 | 0 | 0 | 0 | 111.1 | Y1488 S1494 G1495 F1506 A1509 V1510 I1562 | Y1488-I1492 PolarHBondContact O-N 3.48Å; Y1488-I1492 VanDerWaalsContact O-N 3.13Å; I1492-S1494 VanDerWaalsContact C-N 3.34Å; I1492-S1494 PolarHBondContact O-N 3.16Å; I1492-G1495 PolarHBondContact O-N 3.38Å; I1492-G1495 VanDerWaalsContact O-N 3.1Å; I1492-F1506 HydrophobicContact CG1-CD2 4.35Å; I1492-F1506 HydrophobicContact CG2-CE2 3.92Å; I1492-A1509 HydrophobicContact CD1-CB 3.36Å; I1492-A1509 HydrophobicContact CG1-CB 3.93Å; I1492-V1510 HydrophobicContact CD1-CG2 3.86Å; I1492-I1562 HydrophobicContact CG2-CD1 3.81Å; I1492-I1562 HydrophobicContact CG2-CG1 4.38Å; I1492-I1562 HydrophobicContact CG2-CG2 3.53Å |
| 1493 | L | 85.8 | Confident | 87.7 | Confident | 39 Ų | 39 | 28.2 Ų | 28.2 | 20% | 0.204 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -73.2 | -24.3 | -173.7 | -68 | 174.2 | 0 | 0 | 0 | 114 | A1489 G1495 F1531 K1559 | A1489-L1493 VanDerWaalsContact O-CB 3.25Å; A1489-L1493 WeakPolarHBondContact O-CB 3.38Å; A1489-L1493 VanDerWaalsContact O-CG 3.22Å; A1489-L1493 WeakPolarHBondContact O-CG 3.48Å; A1489-L1493 PolarHBondContact O-N 2.92Å; L1493-G1495 VanDerWaalsContact C-N 3.25Å; L1493-F1531 HydrophobicContact CD1-CE2 4.28Å; L1493-K1559 HydrophobicContact CD2-CG 4.43Å; L1493-K1559 VanDerWaalsContact O-CE 3.3Å; L1493-K1559 WeakPolarHBondContact O-CE 3.35Å |
| 1494 | S | 85.3 | Confident | 87.6 | Confident | 74 Ų | 74 | 26.2 Ų | 26.2 | 52% | 0.517 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -16.1 | 171.3 | 56.7 | 0 | 0 | 0 | 0 | 112.7 | A1490 A1491 I1492 T1496 | A1490-S1494 WeakPolarHBondContact O-CB 3.49Å; A1490-S1494 PolarHBondContact O-N 3.38Å; A1490-S1494 PolarHBondContact O-OG 3.44Å; A1491-S1494 PolarHBondContact O-OG 3.05Å; I1492-S1494 VanDerWaalsContact C-N 3.34Å; I1492-S1494 PolarHBondContact O-N 3.16Å; S1494-T1496 VanDerWaalsContact C-N 3.29Å; S1494-T1496 WeakPolarHBondContact OG-CG2 3.44Å; S1494-T1496 PolarHBondContact OG-N 3.11Å; S1494-T1496 PolarHBondContact OG-OG1 3.23Å |
| 1495 | G | 83.4 | Confident | 87.5 | Confident | 34 Ų | 34 | 26.2 Ų | 26.2 | 35% | 0.351 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.1 | 12.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | I1492 L1493 Q1498 | I1492-G1495 PolarHBondContact O-N 3.38Å; I1492-G1495 VanDerWaalsContact O-N 3.1Å; L1493-G1495 VanDerWaalsContact C-N 3.25Å; G1495-Q1498 VanDerWaalsContact O-CG 3.25Å; G1495-Q1498 WeakPolarHBondContact O-CG 3.33Å |
| 1496 | T | 86.2 | Confident | 87.4 | Confident | 36 Ų | 36 | 26.3 Ų | 26.3 | 22% | 0.221 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -70 | -39.2 | 173.6 | 53.5 | 0 | 0 | 0 | 0 | 111.6 | Q1454 N1458 A1491 S1494 Q1502 | Q1454-T1496 PolarHBondContact NE2-OG1 3.42Å; N1458-T1496 PolarHBondContact OD1-O 3.03Å; A1491-T1496 VanDerWaalsContact CA-OG1 3.26Å; A1491-T1496 WeakPolarHBondContact CA-OG1 3.27Å; A1491-T1496 PolarHBondContact O-N 3.21Å; A1491-T1496 PolarHBondContact O-OG1 3.17Å; S1494-T1496 VanDerWaalsContact C-N 3.29Å; S1494-T1496 WeakPolarHBondContact OG-CG2 3.44Å; S1494-T1496 PolarHBondContact OG-N 3.11Å; S1494-T1496 PolarHBondContact OG-OG1 3.23Å; T1496-Q1502 PolarHBondContact O-NE2 2.76Å; T1496-Q1502 VanDerWaalsContact O-NE2 3.12Å; T1496-Q1502 PolarHBondContact O-OE1 2.8Å |
| 1497 | V | 89.3 | Confident | 87.2 | Confident | 2 Ų | 2 | 22.6 Ų | 22.6 | 1% | 0.012 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -104.5 | 115.8 | 171.6 | 175.7 | 0 | 0 | 0 | 0 | 109.3 | W1450 L1457 A1491 L1505 F1506 | W1450-V1497 HydrophobicContact CH2-CG2 4.43Å; W1450-V1497 HydrophobicContact CZ3-CG2 3.85Å; L1457-V1497 HydrophobicContact CB-CG2 4.21Å; L1457-V1497 HydrophobicContact CD1-CG2 3.7Å; A1491-V1497 HydrophobicContact CB-CB 4.46Å; A1491-V1497 HydrophobicContact CB-CG2 4Å; A1491-V1497 PolarHBondContact O-N 3.42Å; A1491-V1497 VanDerWaalsContact O-N 3.14Å; V1497-L1505 HydrophobicContact CG1-CB 3.91Å; V1497-F1506 HydrophobicContact CG1-CB 3.94Å; V1497-F1506 HydrophobicContact CG1-CD2 4.38Å |
| 1498 | Q | 85.7 | Confident | 87.2 | Confident | 35 Ų | 35 | 21.5 Ų | 21.5 | 16% | 0.164 | 13% | 0.128 | C | C | . | . | trans | -119.6 | 144 | -178 | -55 | -174.7 | -54.4 | 0 | 0 | 110.2 | G1495 T1500 R1501 Q1502 D1556 | G1495-Q1498 VanDerWaalsContact O-CG 3.25Å; G1495-Q1498 WeakPolarHBondContact O-CG 3.33Å; Q1498-T1500 PolarHBondContact O-N 3.3Å; Q1498-R1501 HydrophobicContact CB-CB 4.36Å; Q1498-R1501 HydrophobicContact CB-CG 4.45Å; Q1498-R1501 PolarHBondContact O-N 2.78Å; Q1498-R1501 VanDerWaalsContact OE1-NE 3.16Å; Q1498-Q1502 CarbonylContact O-C 3.52Å; Q1498-Q1502 PolarHBondContact O-N 3.12Å; Q1498-Q1502 PolarHBondContact O-OE1 2.87Å; Q1498-D1556 VanDerWaalsContact NE2-CG 3.34Å; Q1498-D1556 PolarHBondContact NE2-OD2 3.24Å | ||
| 1499 | I | 82.5 | Confident | 87.1 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -30.4 | 179.7 | -165.5 | 165.8 | 0 | 0 | 0 | 113 | F1506 F1621 A1624 I1625 A1628 I1630 | I1499-F1506 HydrophobicContact CB-CD1 3.82Å; I1499-F1506 HydrophobicContact CB-CD2 4.13Å; I1499-F1506 HydrophobicContact CB-CE1 3.98Å; I1499-F1506 HydrophobicContact CB-CE2 4.28Å; I1499-F1506 HydrophobicContact CB-CG 3.9Å; I1499-F1506 HydrophobicContact CB-CZ 4.21Å; I1499-F1506 HydrophobicContact CD1-CD1 3.86Å; I1499-F1506 HydrophobicContact CD1-CE1 3.73Å; I1499-F1506 HydrophobicContact CG1-CD1 3.83Å; I1499-F1506 HydrophobicContact CG1-CE1 4.11Å; I1499-F1506 HydrophobicContact CG1-CG 4.28Å; I1499-F1621 HydrophobicContact CG2-CD2 4.23Å; I1499-F1621 HydrophobicContact CG2-CE2 4.09Å; I1499-A1624 HydrophobicContact CD1-CB 4.48Å; I1499-A1624 HydrophobicContact CG2-CB 3.9Å; I1499-I1625 HydrophobicContact CD1-CB 4.3Å; I1499-I1625 HydrophobicContact CD1-CG1 3.74Å; I1499-A1628 HydrophobicContact CD1-CB 3.83Å; I1499-A1628 HydrophobicContact CG1-CB 3.84Å; I1499-I1630 HydrophobicContact CD1-CD1 4.05Å |
| 1500 | T | 78.9 | Confident | 87.2 | Confident | 28 Ų | 28 | 21.2 Ų | 21.2 | 17% | 0.172 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -28.6 | 179.1 | 54.4 | 0 | 0 | 0 | 0 | 113.3 | Q1498 V1555 D1556 | Q1498-T1500 PolarHBondContact O-N 3.3Å; T1500-V1555 HydrophobicContact CG2-CB 3.93Å; T1500-V1555 HydrophobicContact CG2-CG1 3.35Å; T1500-D1556 WeakPolarHBondContact CB-OD1 3.47Å; T1500-D1556 VanDerWaalsContact CG2-OD1 3.22Å; T1500-D1556 WeakPolarHBondContact CG2-OD1 3.47Å; T1500-D1556 PolarHBondContact OG1-OD1 2.86Å |
| 1501 | R | 81.7 | Confident | 87.4 | Confident | 124 Ų | 124 | 19 Ų | 19 | 47% | 0.468 | 11% | 0.107 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | -42.8 | -174.5 | -64.4 | -168.6 | 179 | -163.9 | -2.4 | 113.3 | Q1498 | Q1498-R1501 HydrophobicContact CB-CB 4.36Å; Q1498-R1501 HydrophobicContact CB-CG 4.45Å; Q1498-R1501 PolarHBondContact O-N 2.78Å; Q1498-R1501 VanDerWaalsContact OE1-NE 3.16Å |
| 1502 | Q | 87.9 | Confident | 87.6 | Confident | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.005 | 11% | 0.107 | C | C | . | . | trans | -132.2 | 70.7 | -179.3 | -46.4 | 103.6 | -27.2 | 0 | 0 | 110.7 | L1457 L1460 T1496 Q1498 L1504 L1505 F1506 | L1457-Q1502 WeakPolarHBondContact O-CG 3.22Å; L1457-Q1502 PolarHBondContact O-NE2 3.08Å; L1460-Q1502 WeakPolarHBondContact O-CG 3.46Å; T1496-Q1502 PolarHBondContact O-NE2 2.76Å; T1496-Q1502 VanDerWaalsContact O-NE2 3.12Å; T1496-Q1502 PolarHBondContact O-OE1 2.8Å; Q1498-Q1502 CarbonylContact O-C 3.52Å; Q1498-Q1502 PolarHBondContact O-N 3.12Å; Q1498-Q1502 PolarHBondContact O-OE1 2.87Å; Q1502-L1504 VanDerWaalsContact C-N 3.29Å; Q1502-L1504 PolarHBondContact O-N 2.89Å; Q1502-L1505 HydrophobicContact CB-CB 3.97Å; Q1502-L1505 HydrophobicContact CB-CD1 3.96Å; Q1502-L1505 HydrophobicContact CB-CG 4.15Å; Q1502-L1505 HydrophobicContact CG-CD1 4.15Å; Q1502-L1505 PolarHBondContact O-N 3.1Å; Q1502-F1506 WeakPolarHBondContact O-CB 3.46Å; Q1502-F1506 PolarHBondContact O-N 3.18Å | ||
| 1503 | P | 84.1 | Confident | 87.8 | Confident | 7 Ų | 7 | 18.9 Ų | 18.9 | 5% | 0.045 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -59.5 | -37.3 | -175.6 | 22.8 | -33.3 | 0 | 0 | 0 | 113 | V1463 L1507 I1615 A1628 | V1463-P1503 HydrophobicContact CG2-CG 4.07Å; P1503-L1507 WeakPolarHBondContact O-CB 3.4Å; P1503-L1507 PolarHBondContact O-N 3.45Å; P1503-I1615 HydrophobicContact CB-CD1 4.1Å; P1503-I1615 HydrophobicContact CG-CD1 4.13Å; P1503-A1628 HydrophobicContact CB-CB 4.23Å |
| 1504 | L | 87 | Confident | 88 | Confident | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.005 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -62.8 | -53.2 | 176.9 | 173.4 | 66.2 | 0 | 0 | 0 | 111.8 | L1434 I1462 L1464 L1467 L1471 Q1502 F1506 L1507 I1508 | L1434-L1504 HydrophobicContact CD1-CD2 4.06Å; I1462-L1504 HydrophobicContact CG2-CB 4.26Å; I1462-L1504 HydrophobicContact CG2-CD2 3.5Å; I1462-L1504 HydrophobicContact CG2-CG 4.48Å; L1464-L1504 HydrophobicContact CD2-CD1 3.7Å; L1467-L1504 HydrophobicContact CD1-CD2 3.73Å; L1467-L1504 HydrophobicContact CD2-CD1 4.01Å; L1467-L1504 HydrophobicContact CD2-CD2 4.26Å; L1467-L1504 HydrophobicContact CG-CD2 4.46Å; L1471-L1504 HydrophobicContact CD1-CD1 3.64Å; Q1502-L1504 VanDerWaalsContact C-N 3.29Å; Q1502-L1504 PolarHBondContact O-N 2.89Å; L1504-F1506 VanDerWaalsContact C-N 3.31Å; L1504-F1506 PolarHBondContact O-N 2.91Å; L1504-L1507 WeakPolarHBondContact O-CB 3.35Å; L1504-L1507 PolarHBondContact O-N 3.49Å; L1504-I1508 HydrophobicContact CD1-CD1 4.04Å; L1504-I1508 HydrophobicContact CD1-CG1 4.35Å; L1504-I1508 HydrophobicContact CG-CD1 3.99Å; L1504-I1508 WeakPolarHBondContact O-CG1 3.36Å; L1504-I1508 PolarHBondContact O-N 2.54Å |
| 1505 | L | 90.8 | Very high | 88.3 | Confident | 1 Ų | 1 | 17.4 Ų | 17.4 | 1% | 0.005 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -61.1 | -44.8 | -179.5 | -63.5 | -177.4 | 0 | 0 | 0 | 110.1 | L1434 W1450 L1457 L1460 V1497 Q1502 L1507 I1508 A1509 | L1434-L1505 HydrophobicContact CD2-CD2 4.32Å; W1450-L1505 HydrophobicContact CH2-CB 3.65Å; W1450-L1505 HydrophobicContact CH2-CD2 4.23Å; W1450-L1505 HydrophobicContact CH2-CG 4.42Å; W1450-L1505 WeakPolarHBondContact CH2-O 3.28Å; W1450-L1505 HydrophobicContact CZ2-CB 3.93Å; W1450-L1505 HydrophobicContact CZ2-CD2 3.6Å; W1450-L1505 HydrophobicContact CZ2-CG 4.27Å; L1457-L1505 HydrophobicContact CB-CD1 4.25Å; L1457-L1505 HydrophobicContact CD2-CD1 4.01Å; L1460-L1505 HydrophobicContact CB-CD1 4.03Å; V1497-L1505 HydrophobicContact CG1-CB 3.91Å; Q1502-L1505 HydrophobicContact CB-CB 3.97Å; Q1502-L1505 HydrophobicContact CB-CD1 3.96Å; Q1502-L1505 HydrophobicContact CB-CG 4.15Å; Q1502-L1505 HydrophobicContact CG-CD1 4.15Å; Q1502-L1505 PolarHBondContact O-N 3.1Å; L1505-L1507 VanDerWaalsContact C-N 3.31Å; L1505-L1507 PolarHBondContact O-N 3.43Å; L1505-I1508 PolarHBondContact O-N 3.34Å; L1505-A1509 PolarHBondContact O-N 3.38Å |
| 1506 | F | 90.3 | Very high | 88.6 | Confident | 1 Ų | 1 | 16.2 Ų | 16.2 | 0% | 0.004 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -56.1 | -45.9 | 176.1 | -172.5 | -89.9 | 0 | 0 | 0 | 111.6 | I1492 V1497 I1499 Q1502 L1504 A1509 V1510 L1565 F1621 I1630 | I1492-F1506 HydrophobicContact CG1-CD2 4.35Å; I1492-F1506 HydrophobicContact CG2-CE2 3.92Å; V1497-F1506 HydrophobicContact CG1-CB 3.94Å; V1497-F1506 HydrophobicContact CG1-CD2 4.38Å; I1499-F1506 HydrophobicContact CB-CD1 3.82Å; I1499-F1506 HydrophobicContact CB-CD2 4.13Å; I1499-F1506 HydrophobicContact CB-CE1 3.98Å; I1499-F1506 HydrophobicContact CB-CE2 4.28Å; I1499-F1506 HydrophobicContact CB-CG 3.9Å; I1499-F1506 HydrophobicContact CB-CZ 4.21Å; I1499-F1506 HydrophobicContact CD1-CD1 3.86Å; I1499-F1506 HydrophobicContact CD1-CE1 3.73Å; I1499-F1506 HydrophobicContact CG1-CD1 3.83Å; I1499-F1506 HydrophobicContact CG1-CE1 4.11Å; I1499-F1506 HydrophobicContact CG1-CG 4.28Å; Q1502-F1506 WeakPolarHBondContact O-CB 3.46Å; Q1502-F1506 PolarHBondContact O-N 3.18Å; L1504-F1506 VanDerWaalsContact C-N 3.31Å; L1504-F1506 PolarHBondContact O-N 2.91Å; F1506-A1509 PolarHBondContact O-N 2.96Å; F1506-V1510 HydrophobicContact CD1-CG2 3.93Å; F1506-V1510 HydrophobicContact CE1-CG2 3.6Å; F1506-V1510 HydrophobicContact CZ-CG2 3.92Å; F1506-V1510 WeakPolarHBondContact O-CB 3.47Å; F1506-V1510 VanDerWaalsContact O-CG2 3.26Å; F1506-V1510 WeakPolarHBondContact O-CG2 3.38Å; F1506-V1510 PolarHBondContact O-N 3.04Å; F1506-L1565 HydrophobicContact CE1-CD2 3.56Å; F1506-L1565 HydrophobicContact CZ-CD2 3.83Å; F1506-F1621 HydrophobicContact CZ-CE2 4.3Å; F1506-F1621 HydrophobicContact CZ-CZ 4.22Å; F1506-I1630 HydrophobicContact CD1-CD1 4.18Å; F1506-I1630 HydrophobicContact CE1-CD1 4.33Å |
| 1507 | L | 89 | Confident | 88.7 | Confident | 1 Ų | 1 | 14.5 Ų | 14.5 | 1% | 0.005 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -61.5 | -45.7 | 176 | 168.2 | 63 | 0 | 0 | 0 | 112.7 | L1464 L1471 P1503 L1504 L1505 A1509 V1510 H1511 Y1569 P1572 I1630 | L1464-L1507 HydrophobicContact CD1-CD2 4.4Å; L1464-L1507 HydrophobicContact CD2-CD2 4.23Å; L1471-L1507 HydrophobicContact CD1-CD2 4.25Å; L1471-L1507 HydrophobicContact CD2-CD2 3.96Å; P1503-L1507 WeakPolarHBondContact O-CB 3.4Å; P1503-L1507 PolarHBondContact O-N 3.45Å; L1504-L1507 WeakPolarHBondContact O-CB 3.35Å; L1504-L1507 PolarHBondContact O-N 3.49Å; L1505-L1507 VanDerWaalsContact C-N 3.31Å; L1505-L1507 PolarHBondContact O-N 3.43Å; L1507-A1509 PolarHBondContact O-N 3.23Å; L1507-V1510 PolarHBondContact O-N 3.02Å; L1507-H1511 VanDerWaalsContact O-CB 3.23Å; L1507-H1511 WeakPolarHBondContact O-CB 3.4Å; L1507-H1511 PolarHBondContact O-N 2.99Å; L1507-Y1569 HydrophobicContact CD1-CE2 4.06Å; L1507-P1572 HydrophobicContact CD1-CB 3.95Å; L1507-P1572 HydrophobicContact CD2-CB 4.02Å; L1507-I1630 HydrophobicContact CD1-CD1 4.44Å; L1507-I1630 HydrophobicContact CD1-CG1 4.02Å |
| 1508 | I | 91.6 | Very high | 88.5 | Confident | 6 Ų | 6 | 15.5 Ų | 15.5 | 3% | 0.031 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -58 | -50.7 | 178.3 | -69.1 | 167.9 | 0 | 0 | 0 | 110.1 | W1450 F1474 L1475 Y1488 L1504 L1505 H1511 H1512 | W1450-I1508 HydrophobicContact CZ2-CG2 4.41Å; F1474-I1508 HydrophobicContact CB-CD1 3.96Å; F1474-I1508 HydrophobicContact CB-CG1 4.17Å; F1474-I1508 HydrophobicContact CD1-CD1 4.39Å; F1474-I1508 HydrophobicContact CG-CD1 4.19Å; L1475-I1508 HydrophobicContact CD2-CG1 4.17Å; Y1488-I1508 HydrophobicContact CE1-CG2 4.41Å; L1504-I1508 HydrophobicContact CD1-CD1 4.04Å; L1504-I1508 HydrophobicContact CD1-CG1 4.35Å; L1504-I1508 HydrophobicContact CG-CD1 3.99Å; L1504-I1508 WeakPolarHBondContact O-CG1 3.36Å; L1504-I1508 PolarHBondContact O-N 2.54Å; L1505-I1508 PolarHBondContact O-N 3.34Å; I1508-H1511 PolarHBondContact O-N 3.47Å; I1508-H1512 PolarHBondContact O-CD2 3.44Å; I1508-H1512 PolarHBondContact O-N 3.19Å; I1508-H1512 VanDerWaalsContact O-N 3.09Å |
| 1509 | A | 92.7 | Very high | 88.5 | Confident | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -66.6 | -42 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | W1450 Y1488 I1492 L1505 F1506 L1507 L1513 | W1450-A1509 HydrophobicContact CH2-CB 3.81Å; W1450-A1509 HydrophobicContact CZ3-CB 3.94Å; Y1488-A1509 HydrophobicContact CD1-CB 3.87Å; Y1488-A1509 HydrophobicContact CG-CB 4.02Å; I1492-A1509 HydrophobicContact CD1-CB 3.36Å; I1492-A1509 HydrophobicContact CG1-CB 3.93Å; L1505-A1509 PolarHBondContact O-N 3.38Å; F1506-A1509 PolarHBondContact O-N 2.96Å; L1507-A1509 PolarHBondContact O-N 3.23Å; A1509-L1513 WeakPolarHBondContact O-CB 3.09Å; A1509-L1513 PolarHBondContact O-N 3.15Å |
| 1510 | V | 91.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62.6 | -42.8 | 174.4 | 168.4 | 0 | 0 | 0 | 0 | 111.4 | I1492 F1506 L1507 N1514 L1565 L1566 Y1569 | I1492-V1510 HydrophobicContact CD1-CG2 3.86Å; F1506-V1510 HydrophobicContact CD1-CG2 3.93Å; F1506-V1510 HydrophobicContact CE1-CG2 3.6Å; F1506-V1510 HydrophobicContact CZ-CG2 3.92Å; F1506-V1510 WeakPolarHBondContact O-CB 3.47Å; F1506-V1510 VanDerWaalsContact O-CG2 3.26Å; F1506-V1510 WeakPolarHBondContact O-CG2 3.38Å; F1506-V1510 PolarHBondContact O-N 3.04Å; L1507-V1510 PolarHBondContact O-N 3.02Å; V1510-N1514 WeakPolarHBondContact O-CB 3.15Å; V1510-N1514 PolarHBondContact O-N 3.37Å; V1510-L1565 HydrophobicContact CG1-CD2 4.43Å; V1510-L1565 HydrophobicContact CG1-CG 4.48Å; V1510-L1565 HydrophobicContact CG2-CD2 4.26Å; V1510-L1566 HydrophobicContact CG1-CD2 4.1Å; V1510-Y1569 HydrophobicContact CG1-CD2 3.44Å; V1510-Y1569 VanDerWaalsContact CG1-CD2 3.44Å; V1510-Y1569 HydrophobicContact CG1-CE2 3.83Å; V1510-Y1569 HydrophobicContact CG1-CG 3.87Å |
| 1511 | H | 93.1 | Very high | 88.6 | Confident | 4 Ų | 4 | 29 Ų | 29 | 2% | 0.019 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.3 | -56 | 179.7 | -178 | 94.2 | 0 | 0 | 0 | 111.2 | L1475 L1507 I1508 N1514 R1515 Y1569 | L1475-H1511 HydrophobicContact CD2-CB 3.81Å; L1507-H1511 VanDerWaalsContact O-CB 3.23Å; L1507-H1511 WeakPolarHBondContact O-CB 3.4Å; L1507-H1511 PolarHBondContact O-N 2.99Å; I1508-H1511 PolarHBondContact O-N 3.47Å; H1511-N1514 PolarHBondContact O-N 3.2Å; H1511-R1515 VanDerWaalsContact O-CG 3.25Å; H1511-R1515 WeakPolarHBondContact O-CG 3.48Å; H1511-R1515 PolarHBondContact O-N 3.16Å; H1511-Y1569 HydrophobicContact CB-CE1 4.36Å; H1511-Y1569 WeakPolarHBondContact CB-OH 3.37Å; H1511-Y1569 AromaticContact ND1-CE1 3.87Å; H1511-Y1569 AromaticContact ND1-CZ 3.78Å; H1511-Y1569 PolarHBondContact ND1-OH 2.92Å |
| 1512 | H | 94.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -65.4 | -42.2 | -177.6 | -73.1 | -57.5 | 0 | 0 | 0 | 112.3 | Q1439 F1474 L1475 E1479 I1485 Y1488 I1508 N1514 R1515 Y1516 | Q1439-H1512 PolarHBondContact NE2-CE1 3.35Å; Q1439-H1512 PolarHBondContact NE2-NE2 2.98Å; F1474-H1512 PolarHBondContact O-NE2 2.81Å; L1475-H1512 PolarHBondContact O-CE1 3.2Å; E1479-H1512 HydrophobicContact CB-CB 4.05Å; E1479-H1512 WeakPolarHBondContact CB-ND1 3.39Å; E1479-H1512 PolarHBondContact N-ND1 3.38Å; I1485-H1512 HydrophobicContact CD1-CB 3.91Å; Y1488-H1512 HydrophobicContact CD2-CB 4.11Å; Y1488-H1512 HydrophobicContact CE2-CB 4.02Å; I1508-H1512 PolarHBondContact O-CD2 3.44Å; I1508-H1512 PolarHBondContact O-N 3.19Å; I1508-H1512 VanDerWaalsContact O-N 3.09Å; H1512-N1514 PolarHBondContact O-N 3.3Å; H1512-R1515 PolarHBondContact O-N 3.27Å; H1512-Y1516 VanDerWaalsContact O-CB 3.24Å; H1512-Y1516 WeakPolarHBondContact O-CB 3.4Å; H1512-Y1516 PolarHBondContact O-N 3.4Å |
| 1513 | L | 92 | Very high | 88.4 | Confident | 3 Ų | 3 | 26.2 Ų | 26.2 | 2% | 0.016 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.9 | -43.8 | 177 | -178.3 | 57.5 | 0 | 0 | 0 | 111.8 | I1485 A1489 A1509 L1517 F1527 F1531 L1566 | I1485-L1513 HydrophobicContact CG2-CD1 3.75Å; A1489-L1513 HydrophobicContact CB-CD1 4.34Å; A1489-L1513 HydrophobicContact CB-CD2 4.1Å; A1509-L1513 WeakPolarHBondContact O-CB 3.09Å; A1509-L1513 PolarHBondContact O-N 3.15Å; L1513-L1517 HydrophobicContact CD1-CD1 3.92Å; L1513-L1517 HydrophobicContact CD1-CG 4.1Å; L1513-L1517 HydrophobicContact CG-CD1 4.06Å; L1513-L1517 WeakPolarHBondContact O-CB 3.07Å; L1513-L1517 VanDerWaalsContact O-CG 3.27Å; L1513-L1517 WeakPolarHBondContact O-CG 3.17Å; L1513-L1517 PolarHBondContact O-N 3.26Å; L1513-F1527 HydrophobicContact CD1-CE1 3.58Å; L1513-F1527 HydrophobicContact CD1-CZ 3.48Å; L1513-F1527 VanDerWaalsContact CD1-CZ 3.48Å; L1513-F1531 HydrophobicContact CD1-CE2 4.37Å; L1513-F1531 HydrophobicContact CD2-CE2 4.08Å; L1513-F1531 HydrophobicContact CD2-CZ 4.22Å; L1513-L1566 HydrophobicContact CB-CD2 4.11Å; L1513-L1566 HydrophobicContact CD2-CD1 3.57Å; L1513-L1566 HydrophobicContact CD2-CD2 3.93Å; L1513-L1566 HydrophobicContact CD2-CG 4.41Å; L1513-L1566 HydrophobicContact CG-CD1 4.14Å; L1513-L1566 HydrophobicContact CG-CD2 3.94Å |
| 1514 | N | 91.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60 | -51.9 | 175.4 | 176.7 | -95.1 | 0 | 0 | 0 | 111.4 | V1510 H1511 H1512 Y1516 L1517 Y1518 L1566 Y1569 R1642 | V1510-N1514 WeakPolarHBondContact O-CB 3.15Å; V1510-N1514 PolarHBondContact O-N 3.37Å; H1511-N1514 PolarHBondContact O-N 3.2Å; H1512-N1514 PolarHBondContact O-N 3.3Å; N1514-Y1516 VanDerWaalsContact C-N 3.34Å; N1514-Y1516 PolarHBondContact O-N 3.43Å; N1514-L1517 PolarHBondContact O-N 2.77Å; N1514-Y1518 VanDerWaalsContact ND2-CD2 3.35Å; N1514-Y1518 WeakPolarHBondContact ND2-CD2 3.35Å; N1514-Y1518 WeakPolarHBondContact ND2-CE2 3.19Å; N1514-Y1518 VanDerWaalsContact O-CD2 3.31Å; N1514-Y1518 WeakPolarHBondContact O-CD2 3.27Å; N1514-Y1518 PolarHBondContact O-N 3.16Å; N1514-Y1518 VanDerWaalsContact O-N 3.08Å; N1514-L1566 HydrophobicContact CB-CD2 4.32Å; N1514-L1566 PolarHBondContact ND2-O 3.29Å; N1514-Y1569 HydrophobicContact CB-CD1 3.72Å; N1514-Y1569 HydrophobicContact CB-CE1 4.37Å; N1514-Y1569 HydrophobicContact CB-CG 4.32Å; N1514-R1642 PolarHBondContact ND2-NH1 3.14Å; N1514-R1642 PolarHBondContact OD1-NH2 3.27Å |
| 1515 | R | 90.7 | Very high | 88 | Confident | 82 Ų | 82 | 32.3 Ų | 32.3 | 31% | 0.309 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -64.2 | -39.7 | -177.1 | -65.1 | -67.4 | -178.1 | -159.2 | -8.9 | 111.8 | V1478 H1511 H1512 N1519 K1570 | V1478-R1515 HydrophobicContact CB-CB 4.43Å; V1478-R1515 HydrophobicContact CG1-CB 3.43Å; V1478-R1515 VanDerWaalsContact CG1-CB 3.43Å; V1478-R1515 HydrophobicContact CG1-CG 4.25Å; V1478-R1515 HydrophobicContact CG2-CB 4.08Å; V1478-R1515 HydrophobicContact CG2-CG 4.07Å; H1511-R1515 VanDerWaalsContact O-CG 3.25Å; H1511-R1515 WeakPolarHBondContact O-CG 3.48Å; H1511-R1515 PolarHBondContact O-N 3.16Å; H1512-R1515 PolarHBondContact O-N 3.27Å; R1515-N1519 WeakPolarHBondContact O-CB 3.22Å; R1515-N1519 PolarHBondContact O-N 2.84Å; R1515-K1570 PolarHBondContact NH2-O 2.92Å |
| 1516 | Y | 90.2 | Very high | 87.7 | Confident | 8 Ų | 8 | 37.3 Ų | 37.3 | 3% | 0.031 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.1 | -46.3 | 177.5 | -174.7 | -82.9 | 0 | 0 | 0 | 112.3 | S1482 I1485 H1512 N1514 N1519 N1522 S1525 F1527 | S1482-Y1516 WeakPolarHBondContact CB-OH 3.48Å; S1482-Y1516 PolarHBondContact OG-OH 2.91Å; I1485-Y1516 HydrophobicContact CB-CG 4.43Å; I1485-Y1516 HydrophobicContact CD1-CD2 4.13Å; I1485-Y1516 HydrophobicContact CD1-CG 4.11Å; I1485-Y1516 HydrophobicContact CG1-CD1 4.48Å; I1485-Y1516 HydrophobicContact CG1-CD2 3.6Å; I1485-Y1516 HydrophobicContact CG1-CE2 4.11Å; I1485-Y1516 HydrophobicContact CG1-CG 3.8Å; I1485-Y1516 HydrophobicContact CG2-CD1 4.02Å; I1485-Y1516 HydrophobicContact CG2-CG 4.05Å; H1512-Y1516 VanDerWaalsContact O-CB 3.24Å; H1512-Y1516 WeakPolarHBondContact O-CB 3.4Å; H1512-Y1516 PolarHBondContact O-N 3.4Å; N1514-Y1516 VanDerWaalsContact C-N 3.34Å; N1514-Y1516 PolarHBondContact O-N 3.43Å; Y1516-N1519 PolarHBondContact O-N 2.89Å; Y1516-N1522 HydrophobicContact CD1-CB 4.17Å; Y1516-N1522 WeakPolarHBondContact CD2-ND2 3.5Å; Y1516-N1522 HydrophobicContact CE1-CB 3.78Å; Y1516-N1522 HydrophobicContact CE2-CB 4.45Å; Y1516-N1522 VanDerWaalsContact CE2-ND2 3.32Å; Y1516-N1522 WeakPolarHBondContact CE2-ND2 3.43Å; Y1516-N1522 WeakPolarHBondContact O-CB 3.45Å; Y1516-N1522 PolarHBondContact O-ND2 3.2Å; Y1516-N1522 VanDerWaalsContact O-ND2 3.12Å; Y1516-S1525 WeakPolarHBondContact OH-CB 3.49Å; Y1516-S1525 PolarHBondContact OH-OG 3.49Å; Y1516-F1527 AromaticContact CD1-CD1 4Å; Y1516-F1527 HydrophobicContact CD1-CD1 4Å; Y1516-F1527 HydrophobicContact CD1-CE1 4.32Å; Y1516-F1527 AromaticContact CE1-CD1 3.73Å; Y1516-F1527 HydrophobicContact CE1-CD1 3.73Å; Y1516-F1527 HydrophobicContact CE1-CE1 4.49Å |
| 1517 | L | 87.2 | Confident | 87.5 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.2 | -48.7 | -179.7 | -73.1 | 171.5 | 0 | 0 | 0 | 111.4 | L1513 N1514 N1519 F1527 T1528 F1531 Y1645 | L1513-L1517 HydrophobicContact CD1-CD1 3.92Å; L1513-L1517 HydrophobicContact CD1-CG 4.1Å; L1513-L1517 HydrophobicContact CG-CD1 4.06Å; L1513-L1517 WeakPolarHBondContact O-CB 3.07Å; L1513-L1517 VanDerWaalsContact O-CG 3.27Å; L1513-L1517 WeakPolarHBondContact O-CG 3.17Å; L1513-L1517 PolarHBondContact O-N 3.26Å; N1514-L1517 PolarHBondContact O-N 2.77Å; L1517-N1519 PolarHBondContact O-N 3.14Å; L1517-F1527 HydrophobicContact CD2-CE1 4.02Å; L1517-T1528 HydrophobicContact CD2-CG2 4.12Å; L1517-F1531 HydrophobicContact CD1-CD1 3.91Å; L1517-F1531 HydrophobicContact CD1-CE1 3.65Å; L1517-F1531 HydrophobicContact CD1-CZ 4.17Å; L1517-F1531 HydrophobicContact CD2-CD1 4.01Å; L1517-F1531 HydrophobicContact CD2-CG 4.33Å; L1517-Y1645 WeakPolarHBondContact O-CE2 3.36Å; L1517-Y1645 PolarHBondContact O-OH 3.14Å |
| 1518 | Y | 86.3 | Confident | 87.4 | Confident | 23 Ų | 23 | 37.6 Ų | 37.6 | 9% | 0.09 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -76.7 | -2.9 | -176.9 | -75.7 | -75.2 | 0 | 0 | 0 | 114.1 | N1514 R1567 R1642 Y1645 W1646 | N1514-Y1518 VanDerWaalsContact ND2-CD2 3.35Å; N1514-Y1518 WeakPolarHBondContact ND2-CD2 3.35Å; N1514-Y1518 WeakPolarHBondContact ND2-CE2 3.19Å; N1514-Y1518 VanDerWaalsContact O-CD2 3.31Å; N1514-Y1518 WeakPolarHBondContact O-CD2 3.27Å; N1514-Y1518 PolarHBondContact O-N 3.16Å; N1514-Y1518 VanDerWaalsContact O-N 3.08Å; Y1518-R1567 WeakPolarHBondContact OH-CA 3.49Å; Y1518-R1642 HydrophobicContact CD1-CB 4.49Å; Y1518-R1642 HydrophobicContact CD1-CG 3.9Å; Y1518-R1642 HydrophobicContact CE1-CB 3.84Å; Y1518-R1642 HydrophobicContact CE1-CG 3.69Å; Y1518-Y1645 HydrophobicContact CD1-CD1 4.12Å; Y1518-Y1645 AromaticContact CD1-CD2 3.67Å; Y1518-Y1645 HydrophobicContact CD1-CD2 3.67Å; Y1518-Y1645 HydrophobicContact CD1-CE2 4.07Å; Y1518-Y1645 AromaticContact CD1-CG 3.7Å; Y1518-Y1645 HydrophobicContact CD1-CG 3.7Å; Y1518-Y1645 AromaticContact CE1-CD1 3.59Å; Y1518-Y1645 HydrophobicContact CE1-CD1 3.59Å; Y1518-Y1645 AromaticContact CE1-CD2 3.92Å; Y1518-Y1645 HydrophobicContact CE1-CD2 3.92Å; Y1518-Y1645 HydrophobicContact CE1-CE1 4.25Å; Y1518-Y1645 HydrophobicContact CE1-CE2 4.49Å; Y1518-Y1645 AromaticContact CE1-CG 3.42Å; Y1518-Y1645 HydrophobicContact CE1-CG 3.42Å; Y1518-Y1645 VanDerWaalsContact CE1-CG 3.42Å; Y1518-W1646 PolarHBondContact OH-NE1 2.67Å |
| 1519 | N | 86 | Confident | 86.9 | Confident | 65 Ų | 65 | 40.3 Ų | 40.3 | 35% | 0.348 | 19% | 0.194 | S | C | . | . | trans | -75.5 | 126.4 | 169.8 | -170.7 | 4 | 0 | 0 | 0 | 110.8 | R1515 Y1516 L1517 D1521 N1522 W1523 | R1515-N1519 WeakPolarHBondContact O-CB 3.22Å; R1515-N1519 PolarHBondContact O-N 2.84Å; Y1516-N1519 PolarHBondContact O-N 2.89Å; L1517-N1519 PolarHBondContact O-N 3.14Å; N1519-D1521 PolarHBondContact O-N 3.09Å; N1519-D1521 PolarHBondContact OD1-N 3.11Å; N1519-D1521 PolarHBondContact OD1-OD2 2.65Å; N1519-N1522 PolarHBondContact O-N 3.22Å; N1519-W1523 PolarHBondContact O-NE1 3.04Å | ||
| 1520 | K | 79.8 | Confident | 86.5 | Confident | 146 Ų | 146 | 43.8 Ų | 43.8 | 64% | 0.635 | 21% | 0.21 | S | C | * | . | G | 310 helix | trans | -60.7 | -32.9 | -177.7 | -70.7 | -172.6 | 176.1 | -179.8 | 0 | 113.3 | N1522 W1523 | K1520-N1522 PolarHBondContact O-N 3.35Å; K1520-W1523 HydrophobicContact CD-CZ2 4.49Å; K1520-W1523 HydrophobicContact CG-CH2 4.36Å; K1520-W1523 HydrophobicContact CG-CZ2 3.74Å; K1520-W1523 PolarHBondContact O-N 3.04Å |
| 1521 | D | 82.5 | Confident | 86.2 | Confident | 136 Ų | 136 | 43.9 Ų | 43.9 | 73% | 0.727 | 21% | 0.21 | S | C | * | . | G | 310 helix | trans | -67.6 | -27.7 | -177.5 | -53.8 | -30.7 | 0 | 0 | 0 | 111.7 | N1519 | N1519-D1521 PolarHBondContact O-N 3.09Å; N1519-D1521 PolarHBondContact OD1-N 3.11Å; N1519-D1521 PolarHBondContact OD1-OD2 2.65Å |
| 1522 | N | 84.8 | Confident | 85.6 | Confident | 31 Ų | 31 | 43.8 Ų | 43.8 | 17% | 0.166 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -91.9 | 0.5 | -175.1 | -66 | -24.5 | 0 | 0 | 0 | 114.2 | Y1516 N1519 K1520 N1524 S1525 T1528 | Y1516-N1522 HydrophobicContact CD1-CB 4.17Å; Y1516-N1522 WeakPolarHBondContact CD2-ND2 3.5Å; Y1516-N1522 HydrophobicContact CE1-CB 3.78Å; Y1516-N1522 HydrophobicContact CE2-CB 4.45Å; Y1516-N1522 VanDerWaalsContact CE2-ND2 3.32Å; Y1516-N1522 WeakPolarHBondContact CE2-ND2 3.43Å; Y1516-N1522 WeakPolarHBondContact O-CB 3.45Å; Y1516-N1522 PolarHBondContact O-ND2 3.2Å; Y1516-N1522 VanDerWaalsContact O-ND2 3.12Å; N1519-N1522 PolarHBondContact O-N 3.22Å; K1520-N1522 PolarHBondContact O-N 3.35Å; N1522-N1524 PolarHBondContact O-N 3.43Å; N1522-S1525 WeakPolarHBondContact O-CB 3.27Å; N1522-S1525 PolarHBondContact O-N 3.37Å; N1522-S1525 PolarHBondContact O-OG 2.74Å; N1522-T1528 WeakPolarHBondContact O-CB 3.15Å; N1522-T1528 PolarHBondContact O-OG1 3.19Å |
| 1523 | W | 80.7 | Confident | 84.9 | Confident | 35 Ų | 35 | 51 Ų | 51 | 13% | 0.133 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -35.6 | -175.4 | -73.7 | 8.9 | 0 | 0 | 0 | 113 | N1519 K1520 Y1645 E1648 L1649 | N1519-W1523 PolarHBondContact O-NE1 3.04Å; K1520-W1523 HydrophobicContact CD-CZ2 4.49Å; K1520-W1523 HydrophobicContact CG-CH2 4.36Å; K1520-W1523 HydrophobicContact CG-CZ2 3.74Å; K1520-W1523 PolarHBondContact O-N 3.04Å; W1523-Y1645 AromaticContact CD1-CE2 3.92Å; W1523-Y1645 HydrophobicContact CZ2-CD2 4.19Å; W1523-Y1645 HydrophobicContact CZ2-CE2 4.47Å; W1523-Y1645 AromaticContact NE1-CD2 3.92Å; W1523-Y1645 AromaticContact NE1-CE2 3.37Å; W1523-E1648 WeakPolarHBondContact CH2-OE2 3.42Å; W1523-L1649 HydrophobicContact CG-CD1 4.47Å |
| 1524 | N | 78.5 | Confident | 84.2 | Confident | 112 Ų | 112 | 54.8 Ų | 54.8 | 60% | 0.599 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | 1.2 | 179.8 | -66.7 | -21 | 0 | 0 | 0 | 113.2 | N1522 Q1529 | N1522-N1524 PolarHBondContact O-N 3.43Å; N1524-Q1529 PolarHBondContact O-NE2 3.3Å |
| 1525 | S | 85.3 | Confident | 83.5 | Confident | 24 Ų | 24 | 54.9 Ų | 54.9 | 17% | 0.168 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -65.7 | 145.5 | 179.8 | 74.9 | 0 | 0 | 0 | 0 | 111.1 | Y1516 N1522 F1527 T1528 Q1529 | Y1516-S1525 WeakPolarHBondContact OH-CB 3.49Å; Y1516-S1525 PolarHBondContact OH-OG 3.49Å; N1522-S1525 WeakPolarHBondContact O-CB 3.27Å; N1522-S1525 PolarHBondContact O-N 3.37Å; N1522-S1525 PolarHBondContact O-OG 2.74Å; S1525-F1527 PolarHBondContact O-N 3Å; S1525-T1528 PolarHBondContact O-N 3.26Å; S1525-T1528 VanDerWaalsContact O-N 3.09Å; S1525-T1528 PolarHBondContact OG-N 3.35Å; S1525-T1528 PolarHBondContact OG-OG1 2.95Å; S1525-Q1529 PolarHBondContact O-N 2.69Å; S1525-Q1529 VanDerWaalsContact O-N 3.17Å |
| 1526 | E | 83.5 | Confident | 82.7 | Confident | 106 Ų | 106 | 55.1 Ų | 55.1 | 50% | 0.495 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -55.3 | -40.3 | -179.4 | -168.9 | -155.1 | 143.3 | 0 | 0 | 111.5 | R1486 Q1529 Q1530 | R1486-E1526 IonicContact CZ-OE1 3.77Å; R1486-E1526 IonicContact CZ-OE2 2.94Å; R1486-E1526 IonicContact NH1-OE1 3.81Å; R1486-E1526 PolarHBondContact NH1-OE1 2.88Å; R1486-E1526 IonicContact NH1-OE2 3.37Å; R1486-E1526 IonicContact NH2-OE1 2.8Å; R1486-E1526 PolarHBondContact NH2-OE1 3.12Å; R1486-E1526 IonicContact NH2-OE2 3.64Å; R1486-E1526 PolarHBondContact NH2-OE2 3.46Å; E1526-Q1529 PolarHBondContact O-N 2.94Å; E1526-Q1530 WeakPolarHBondContact O-CG 3.45Å; E1526-Q1530 PolarHBondContact O-N 3.06Å; E1526-Q1530 PolarHBondContact OE1-NE2 2.98Å |
| 1527 | F | 87.3 | Confident | 81.8 | Confident | 9 Ų | 9 | 60.8 Ų | 60.8 | 4% | 0.039 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.1 | -50.2 | 175.3 | 171.6 | -106.2 | 0 | 0 | 0 | 112.2 | S1482 I1485 R1486 A1489 L1513 Y1516 L1517 S1525 Q1529 Q1530 F1531 | S1482-F1527 WeakPolarHBondContact OG-CB 3.33Å; I1485-F1527 HydrophobicContact CG2-CD1 3.77Å; I1485-F1527 HydrophobicContact CG2-CE1 3.34Å; I1485-F1527 HydrophobicContact CG2-CE2 4.43Å; I1485-F1527 HydrophobicContact CG2-CG 4.47Å; I1485-F1527 HydrophobicContact CG2-CZ 3.71Å; R1486-F1527 HydrophobicContact CB-CD2 4.4Å; R1486-F1527 HydrophobicContact CG-CB 4.36Å; R1486-F1527 HydrophobicContact CG-CD2 3.37Å; R1486-F1527 HydrophobicContact CG-CE2 3.97Å; R1486-F1527 HydrophobicContact CG-CG 4.14Å; A1489-F1527 HydrophobicContact CB-CE2 3.99Å; A1489-F1527 HydrophobicContact CB-CZ 3.91Å; L1513-F1527 HydrophobicContact CD1-CE1 3.58Å; L1513-F1527 HydrophobicContact CD1-CZ 3.48Å; L1513-F1527 VanDerWaalsContact CD1-CZ 3.48Å; Y1516-F1527 AromaticContact CD1-CD1 4Å; Y1516-F1527 HydrophobicContact CD1-CD1 4Å; Y1516-F1527 HydrophobicContact CD1-CE1 4.32Å; Y1516-F1527 AromaticContact CE1-CD1 3.73Å; Y1516-F1527 HydrophobicContact CE1-CD1 3.73Å; Y1516-F1527 HydrophobicContact CE1-CE1 4.49Å; L1517-F1527 HydrophobicContact CD2-CE1 4.02Å; S1525-F1527 PolarHBondContact O-N 3Å; F1527-Q1529 VanDerWaalsContact C-N 3.28Å; F1527-Q1529 PolarHBondContact O-N 3.31Å; F1527-Q1530 PolarHBondContact O-N 2.89Å; F1527-Q1530 VanDerWaalsContact O-N 3.14Å; F1527-F1531 HydrophobicContact CE1-CB 4.31Å; F1527-F1531 HydrophobicContact CE1-CD2 4.37Å; F1527-F1531 HydrophobicContact CE1-CG 4.45Å; F1527-F1531 HydrophobicContact CE2-CB 4.35Å; F1527-F1531 HydrophobicContact CE2-CD2 4.07Å; F1527-F1531 HydrophobicContact CZ-CB 4.12Å; F1527-F1531 AromaticContact CZ-CD2 3.61Å; F1527-F1531 HydrophobicContact CZ-CD2 3.61Å; F1527-F1531 HydrophobicContact CZ-CE2 4.35Å; F1527-F1531 HydrophobicContact CZ-CG 4.09Å; F1527-F1531 VanDerWaalsContact O-CB 3.32Å; F1527-F1531 WeakPolarHBondContact O-CB 3.1Å; F1527-F1531 PolarHBondContact O-N 2.7Å |
| 1528 | T | 85 | Confident | 80.9 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.9 | -41.3 | -178.5 | -56.2 | 0 | 0 | 0 | 0 | 110.7 | L1517 N1522 S1525 F1531 V1532 L1649 | L1517-T1528 HydrophobicContact CD2-CG2 4.12Å; N1522-T1528 WeakPolarHBondContact O-CB 3.15Å; N1522-T1528 PolarHBondContact O-OG1 3.19Å; S1525-T1528 PolarHBondContact O-N 3.26Å; S1525-T1528 VanDerWaalsContact O-N 3.09Å; S1525-T1528 PolarHBondContact OG-N 3.35Å; S1525-T1528 PolarHBondContact OG-OG1 2.95Å; T1528-F1531 PolarHBondContact O-N 3.17Å; T1528-V1532 HydrophobicContact CG2-CG2 4.32Å; T1528-V1532 WeakPolarHBondContact O-CB 3.29Å; T1528-V1532 WeakPolarHBondContact O-CG2 3.38Å; T1528-V1532 PolarHBondContact O-N 3.49Å; T1528-L1649 HydrophobicContact CG2-CD2 3.67Å |
| 1529 | Q | 82.9 | Confident | 79.5 | Confident | 62 Ų | 62 | 66.3 Ų | 66.3 | 29% | 0.29 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.2 | -43.1 | 175.9 | -65.3 | 178.6 | 14.9 | 0 | 0 | 112.4 | N1524 S1525 E1526 F1527 V1532 R1533 | N1524-Q1529 PolarHBondContact O-NE2 3.3Å; S1525-Q1529 PolarHBondContact O-N 2.69Å; S1525-Q1529 VanDerWaalsContact O-N 3.17Å; E1526-Q1529 PolarHBondContact O-N 2.94Å; F1527-Q1529 VanDerWaalsContact C-N 3.28Å; F1527-Q1529 PolarHBondContact O-N 3.31Å; Q1529-V1532 PolarHBondContact O-N 2.92Å; Q1529-R1533 VanDerWaalsContact O-CG 3.32Å; Q1529-R1533 WeakPolarHBondContact O-CG 3.47Å; Q1529-R1533 PolarHBondContact O-N 2.99Å |
| 1530 | Q | 83.1 | Confident | 78.2 | Confident | 73 Ų | 73 | 70.3 Ų | 70.3 | 34% | 0.341 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.5 | -44.7 | 174.9 | -74.3 | 172.3 | -1.5 | 0 | 0 | 111.4 | E1526 F1527 V1532 R1533 L1534 | E1526-Q1530 WeakPolarHBondContact O-CG 3.45Å; E1526-Q1530 PolarHBondContact O-N 3.06Å; E1526-Q1530 PolarHBondContact OE1-NE2 2.98Å; F1527-Q1530 PolarHBondContact O-N 2.89Å; F1527-Q1530 VanDerWaalsContact O-N 3.14Å; Q1530-V1532 PolarHBondContact O-N 2.86Å; Q1530-R1533 WeakPolarHBondContact O-CB 3.24Å; Q1530-R1533 PolarHBondContact O-N 3.44Å; Q1530-L1534 WeakPolarHBondContact O-CG 3.43Å; Q1530-L1534 PolarHBondContact O-N 3.05Å |
| 1531 | F | 85.3 | Confident | 77 | Confident | 3 Ų | 3 | 64 Ų | 64 | 1% | 0.013 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.4 | -42.1 | 178.7 | -165.5 | -91.9 | 0 | 0 | 0 | 111.7 | A1489 L1493 L1513 L1517 F1527 T1528 L1534 C1535 L1563 L1566 W1646 | A1489-F1531 HydrophobicContact CB-CE2 4.37Å; L1493-F1531 HydrophobicContact CD1-CE2 4.28Å; L1513-F1531 HydrophobicContact CD1-CE2 4.37Å; L1513-F1531 HydrophobicContact CD2-CE2 4.08Å; L1513-F1531 HydrophobicContact CD2-CZ 4.22Å; L1517-F1531 HydrophobicContact CD1-CD1 3.91Å; L1517-F1531 HydrophobicContact CD1-CE1 3.65Å; L1517-F1531 HydrophobicContact CD1-CZ 4.17Å; L1517-F1531 HydrophobicContact CD2-CD1 4.01Å; L1517-F1531 HydrophobicContact CD2-CG 4.33Å; F1527-F1531 HydrophobicContact CE1-CB 4.31Å; F1527-F1531 HydrophobicContact CE1-CD2 4.37Å; F1527-F1531 HydrophobicContact CE1-CG 4.45Å; F1527-F1531 HydrophobicContact CE2-CB 4.35Å; F1527-F1531 HydrophobicContact CE2-CD2 4.07Å; F1527-F1531 HydrophobicContact CZ-CB 4.12Å; F1527-F1531 AromaticContact CZ-CD2 3.61Å; F1527-F1531 HydrophobicContact CZ-CD2 3.61Å; F1527-F1531 HydrophobicContact CZ-CE2 4.35Å; F1527-F1531 HydrophobicContact CZ-CG 4.09Å; F1527-F1531 VanDerWaalsContact O-CB 3.32Å; F1527-F1531 WeakPolarHBondContact O-CB 3.1Å; F1527-F1531 PolarHBondContact O-N 2.7Å; T1528-F1531 PolarHBondContact O-N 3.17Å; F1531-L1534 WeakPolarHBondContact O-CB 3.41Å; F1531-L1534 PolarHBondContact O-N 3.38Å; F1531-C1535 PolarHBondContact O-N 3.32Å; F1531-C1535 PolarHBondContact O-SG 3.21Å; F1531-L1563 HydrophobicContact CE1-CD2 3.63Å; F1531-L1563 HydrophobicContact CE2-CD2 4.45Å; F1531-L1563 HydrophobicContact CZ-CD2 3.42Å; F1531-L1563 VanDerWaalsContact CZ-CD2 3.42Å; F1531-L1566 HydrophobicContact CE1-CD1 4.44Å; F1531-L1566 HydrophobicContact CZ-CD1 3.76Å; F1531-W1646 AromaticContact CD1-CH2 3.97Å; F1531-W1646 HydrophobicContact CD1-CH2 3.97Å; F1531-W1646 AromaticContact CE1-CH2 3.88Å; F1531-W1646 HydrophobicContact CE1-CH2 3.88Å |
| 1532 | V | 80.2 | Confident | 75.5 | Confident | 2 Ų | 2 | 60.4 Ų | 60.4 | 1% | 0.012 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.5 | -43.6 | 174.1 | 169.7 | 0 | 0 | 0 | 0 | 111.2 | T1528 Q1529 Q1530 L1534 C1535 K1536 W1646 L1649 F1650 | T1528-V1532 HydrophobicContact CG2-CG2 4.32Å; T1528-V1532 WeakPolarHBondContact O-CB 3.29Å; T1528-V1532 WeakPolarHBondContact O-CG2 3.38Å; T1528-V1532 PolarHBondContact O-N 3.49Å; Q1529-V1532 PolarHBondContact O-N 2.92Å; Q1530-V1532 PolarHBondContact O-N 2.86Å; V1532-L1534 VanDerWaalsContact C-N 3.32Å; V1532-L1534 PolarHBondContact O-N 3.2Å; V1532-C1535 WeakPolarHBondContact O-CB 3.5Å; V1532-C1535 PolarHBondContact O-N 3.12Å; V1532-C1535 VanDerWaalsContact O-N 3.15Å; V1532-K1536 WeakPolarHBondContact O-CG 3.2Å; V1532-K1536 PolarHBondContact O-N 3.21Å; V1532-W1646 HydrophobicContact CG2-CZ3 3.95Å; V1532-L1649 HydrophobicContact CG2-CB 4.48Å; V1532-L1649 HydrophobicContact CG2-CD2 3.71Å; V1532-F1650 HydrophobicContact CG1-CD1 3.67Å; V1532-F1650 HydrophobicContact CG1-CE1 3.46Å; V1532-F1650 VanDerWaalsContact CG1-CE1 3.46Å; V1532-F1650 HydrophobicContact CG1-CZ 4.42Å |
| 1533 | R | 79.6 | Confident | 73.9 | Confident | 150 Ų | 150 | 63.7 Ų | 63.7 | 57% | 0.566 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -60.6 | -41.3 | 174.4 | -73 | 174.7 | -171.3 | -178.7 | 4.6 | 111.7 | Q1529 Q1530 C1535 K1536 | Q1529-R1533 VanDerWaalsContact O-CG 3.32Å; Q1529-R1533 WeakPolarHBondContact O-CG 3.47Å; Q1529-R1533 PolarHBondContact O-N 2.99Å; Q1530-R1533 WeakPolarHBondContact O-CB 3.24Å; Q1530-R1533 PolarHBondContact O-N 3.44Å; R1533-C1535 VanDerWaalsContact C-N 3.34Å; R1533-K1536 WeakPolarHBondContact O-CB 2.82Å; R1533-K1536 PolarHBondContact O-N 3.32Å |
| 1534 | L | 78.2 | Confident | 72.1 | Confident | 83 Ų | 83 | 68 Ų | 68 | 44% | 0.435 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.6 | -42 | 173.1 | -71.1 | 173.7 | 0 | 0 | 0 | 111.4 | Q1530 F1531 V1532 K1536 L1537 F1538 | Q1530-L1534 WeakPolarHBondContact O-CG 3.43Å; Q1530-L1534 PolarHBondContact O-N 3.05Å; F1531-L1534 WeakPolarHBondContact O-CB 3.41Å; F1531-L1534 PolarHBondContact O-N 3.38Å; V1532-L1534 VanDerWaalsContact C-N 3.32Å; V1532-L1534 PolarHBondContact O-N 3.2Å; L1534-K1536 VanDerWaalsContact C-N 3.3Å; L1534-K1536 PolarHBondContact O-N 3.1Å; L1534-L1537 HydrophobicContact CD2-CD1 4.3Å; L1534-L1537 WeakPolarHBondContact O-CB 3.43Å; L1534-L1537 PolarHBondContact O-N 3.47Å; L1534-L1537 VanDerWaalsContact O-N 3.15Å; L1534-F1538 VanDerWaalsContact O-CD2 3.22Å; L1534-F1538 WeakPolarHBondContact O-CD2 3.21Å |
| 1535 | C | 76.2 | Confident | 70.5 | Confident | 3 Ų | 3 | 70.6 Ų | 70.6 | 2% | 0.02 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.7 | -33.6 | 176 | -64.6 | 0 | 0 | 0 | 0 | 112.7 | F1531 V1532 R1533 L1537 F1538 L1563 F1650 | F1531-C1535 PolarHBondContact O-N 3.32Å; F1531-C1535 PolarHBondContact O-SG 3.21Å; V1532-C1535 WeakPolarHBondContact O-CB 3.5Å; V1532-C1535 PolarHBondContact O-N 3.12Å; V1532-C1535 VanDerWaalsContact O-N 3.15Å; R1533-C1535 VanDerWaalsContact C-N 3.34Å; C1535-L1537 PolarHBondContact O-N 3.08Å; C1535-F1538 PolarHBondContact O-N 3.43Å; C1535-L1563 VanDerWaalsContact SG-CD2 3.55Å; C1535-F1650 HydrophobicContact CB-CZ 4.4Å |
| 1536 | K | 74 | Confident | 67.9 | Low | 87 Ų | 87 | 75 Ų | 75 | 38% | 0.378 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.8 | -26.8 | 175.7 | -67.4 | -178.7 | -173.6 | 170.3 | 0 | 113 | V1532 R1533 L1534 F1538 F1650 D1653 | V1532-K1536 WeakPolarHBondContact O-CG 3.2Å; V1532-K1536 PolarHBondContact O-N 3.21Å; R1533-K1536 WeakPolarHBondContact O-CB 2.82Å; R1533-K1536 PolarHBondContact O-N 3.32Å; L1534-K1536 VanDerWaalsContact C-N 3.3Å; L1534-K1536 PolarHBondContact O-N 3.1Å; K1536-F1538 PolarHBondContact O-N 3.41Å; K1536-F1650 HydrophobicContact CD-CD1 4.35Å; K1536-F1650 HydrophobicContact CD-CE1 4.24Å; K1536-F1650 HydrophobicContact CG-CD1 4.06Å; K1536-F1650 HydrophobicContact CG-CE1 3.49Å; K1536-F1650 VanDerWaalsContact CG-CE1 3.49Å; K1536-F1650 HydrophobicContact CG-CZ 4.4Å; K1536-D1653 IonicContact NZ-OD2 2.72Å; K1536-D1653 PolarHBondContact NZ-OD2 2.84Å |
| 1537 | L | 71.4 | Confident | 65.8 | Low | 127 Ų | 127 | 74.8 Ų | 74.8 | 67% | 0.665 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -14.3 | 175.7 | -62.7 | 171.3 | 0 | 0 | 0 | 112.5 | L1534 C1535 P1539 | L1534-L1537 HydrophobicContact CD2-CD1 4.3Å; L1534-L1537 WeakPolarHBondContact O-CB 3.43Å; L1534-L1537 PolarHBondContact O-N 3.47Å; L1534-L1537 VanDerWaalsContact O-N 3.15Å; C1535-L1537 PolarHBondContact O-N 3.08Å; L1537-P1539 VanDerWaalsContact O-CD 3.28Å; L1537-P1539 WeakPolarHBondContact O-CD 3.45Å |
| 1538 | F | 67.4 | Low | 63.3 | Low | 61 Ų | 61 | 80 Ų | 80 | 27% | 0.268 | 42% | 0.416 | S | S | . | . | trans | -115.5 | 81.8 | -180 | -59 | -74.4 | 0 | 0 | 0 | 110.7 | L1534 C1535 K1536 H1540 V1541 K1559 T1560 L1563 | L1534-F1538 VanDerWaalsContact O-CD2 3.22Å; L1534-F1538 WeakPolarHBondContact O-CD2 3.21Å; C1535-F1538 PolarHBondContact O-N 3.43Å; K1536-F1538 PolarHBondContact O-N 3.41Å; F1538-H1540 PolarHBondContact O-N 3.42Å; F1538-V1541 HydrophobicContact CB-CG2 3.98Å; F1538-V1541 PolarHBondContact O-N 3.37Å; F1538-K1559 HydrophobicContact CE1-CB 4.18Å; F1538-K1559 HydrophobicContact CE1-CD 4.15Å; F1538-K1559 HydrophobicContact CE2-CB 4.44Å; F1538-K1559 HydrophobicContact CE2-CD 4.23Å; F1538-K1559 HydrophobicContact CZ-CB 4.07Å; F1538-K1559 HydrophobicContact CZ-CD 3.54Å; F1538-K1559 HydrophobicContact CZ-CG 4.44Å; F1538-T1560 HydrophobicContact CB-CG2 4.08Å; F1538-T1560 HydrophobicContact CD1-CG2 4.31Å; F1538-T1560 HydrophobicContact CG-CG2 4.48Å; F1538-L1563 HydrophobicContact CD2-CD1 4.14Å | ||
| 1539 | P | 58.1 | Low | 61.1 | Low | 77 Ų | 77 | 83.1 Ų | 83.1 | 50% | 0.5 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62.6 | -17.5 | -172.7 | 22.7 | -32.9 | 0 | 0 | 0 | 114.6 | L1537 V1541 T1542 | L1537-P1539 VanDerWaalsContact O-CD 3.28Å; L1537-P1539 WeakPolarHBondContact O-CD 3.45Å; P1539-V1541 VanDerWaalsContact C-N 3.26Å; P1539-V1541 PolarHBondContact O-N 3.07Å; P1539-T1542 PolarHBondContact O-OG1 3.1Å |
| 1540 | H | 58.3 | Low | 59 | Low | 149 Ų | 149 | 86.1 Ų | 86.1 | 69% | 0.69 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -69.2 | -21.8 | 175.2 | -65.3 | -65.7 | 0 | 0 | 0 | 113.5 | F1538 T1560 | F1538-H1540 PolarHBondContact O-N 3.42Å; H1540-T1560 HydrophobicContact CB-CG2 4.27Å |
| 1541 | V | 54.3 | Low | 57.2 | Low | 13 Ų | 13 | 86.3 Ų | 86.3 | 8% | 0.079 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -77.3 | -29 | -179.7 | -178 | 0 | 0 | 0 | 0 | 112 | F1538 P1539 T1560 L1563 | F1538-V1541 HydrophobicContact CB-CG2 3.98Å; F1538-V1541 PolarHBondContact O-N 3.37Å; P1539-V1541 VanDerWaalsContact C-N 3.26Å; P1539-V1541 PolarHBondContact O-N 3.07Å; V1541-T1560 HydrophobicContact CG2-CG2 3.98Å; V1541-L1563 HydrophobicContact CG1-CB 3.86Å; V1541-L1563 HydrophobicContact CG1-CD1 4.46Å; V1541-L1563 HydrophobicContact CG2-CB 3.93Å; V1541-L1563 HydrophobicContact CG2-CD1 3.8Å |
| 1542 | T | 51.1 | Low | 55.3 | Low | 62 Ų | 62 | 94.2 Ų | 94.2 | 38% | 0.38 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -78.6 | -22.1 | -178.5 | 59 | 0 | 0 | 0 | 0 | 112.6 | P1539 F1650 | P1539-T1542 PolarHBondContact O-OG1 3.1Å; T1542-F1650 HydrophobicContact CG2-CE2 3.8Å; T1542-F1650 HydrophobicContact CG2-CZ 3.98Å |
| 1543 | N | 51.3 | Low | 54.1 | Low | 100 Ų | 100 | 96.2 Ų | 96.2 | 54% | 0.535 | 53% | 0.525 | S | S | . | . | trans | -90.6 | 124.8 | -179.1 | -78.6 | -38.5 | 0 | 0 | 0 | 111.9 | K1545 | N1543-K1545 PolarHBondContact O-N 3.34Š| ||
| 1544 | I | 43.9 | Very low | 53.2 | Low | 126 Ų | 126 | 96 Ų | 96 | 65% | 0.646 | 53% | 0.528 | S | S | * | . | trans | -74.6 | 19 | 179.8 | -58.8 | 166.1 | 0 | 0 | 0 | 112 | ||||
| 1545 | K | 43.1 | Very low | 52.2 | Low | 166 Ų | 166 | 93.9 Ų | 93.9 | 72% | 0.722 | 52% | 0.519 | S | S | * | . | trans | -72.2 | 130 | -171.7 | -77.7 | -173.2 | 177.3 | -178.9 | 0 | 110.7 | N1543 T1547 | N1543-K1545 PolarHBondContact O-N 3.34Å; K1545-T1547 PolarHBondContact O-N 3.48Å | ||
| 1546 | P | 32.2 | Very low | 51.5 | Low | 117 Ų | 117 | 96.3 Ų | 96.3 | 76% | 0.76 | 53% | 0.532 | S | S | * | . | trans | -66.2 | 100.7 | 175.2 | 27.6 | -31.2 | 0 | 0 | 0 | 107.5 | S1548 | P1546-S1548 PolarHBondContact O-N 3.23Š| ||
| 1547 | T | 39 | Very low | 51.2 | Low | 100 Ų | 100 | 92.8 Ų | 92.8 | 61% | 0.613 | 52% | 0.52 | S | S | * | . | trans | -82 | 83.4 | 170.5 | 52.2 | 0 | 0 | 0 | 0 | 107.8 | K1545 S1549 | K1545-T1547 PolarHBondContact O-N 3.48Å; T1547-S1549 PolarHBondContact O-N 3.28Å | ||
| 1548 | S | 33.8 | Very low | 51.3 | Low | 118 Ų | 118 | 91 Ų | 91 | 83% | 0.825 | 51% | 0.511 | S | S | * | . | trans | -72.2 | 20.9 | 158.8 | 45.9 | 0 | 0 | 0 | 0 | 112.2 | P1546 S1550 | P1546-S1548 PolarHBondContact O-N 3.23Å; S1548-S1550 PolarHBondContact O-N 3.35Å | ||
| 1549 | S | 39.3 | Very low | 51.7 | Low | 67 Ų | 67 | 93 Ų | 93 | 47% | 0.469 | 52% | 0.519 | S | S | . | . | trans | -89.2 | 108.9 | -174.6 | 55.4 | 0 | 0 | 0 | 0 | 110.8 | T1547 S1551 | T1547-S1549 PolarHBondContact O-N 3.28Å; S1549-S1551 PolarHBondContact O-N 2.7Å | ||
| 1550 | S | 39.6 | Very low | 52.5 | Low | 124 Ų | 124 | 90.6 Ų | 90.6 | 87% | 0.867 | 50% | 0.504 | S | S | * | . | trans | -56.4 | 43.6 | 169.6 | 57.1 | 0 | 0 | 0 | 0 | 115.7 | S1548 | S1548-S1550 PolarHBondContact O-N 3.35Š| ||
| 1551 | S | 44.6 | Very low | 53.5 | Low | 77 Ų | 77 | 84.5 Ų | 84.5 | 54% | 0.538 | 48% | 0.476 | S | S | . | . | trans | -80.6 | 139.2 | 160.8 | 54.3 | 0 | 0 | 0 | 0 | 107.8 | S1549 Q1553 | S1549-S1551 PolarHBondContact O-N 2.7Å; S1551-Q1553 PolarHBondContact O-N 3.34Å | ||
| 1552 | I | 45.8 | Very low | 54.8 | Low | 169 Ų | 169 | 84.5 Ų | 84.5 | 87% | 0.867 | 48% | 0.476 | S | S | * | . | trans | -60.6 | 84.8 | 175.9 | -62.5 | 159.1 | 0 | 0 | 0 | 106.9 | K1554 | I1552-K1554 PolarHBondContact O-N 3.33Š| ||
| 1553 | Q | 53.9 | Low | 56.2 | Low | 45 Ų | 45 | 81.9 Ų | 81.9 | 21% | 0.21 | 46% | 0.459 | C | S | . | . | trans | -71.4 | 124.2 | 179.9 | -77.1 | -179.5 | -6.9 | 0 | 0 | 106.7 | S1551 V1555 | S1551-Q1553 PolarHBondContact O-N 3.34Å; Q1553-V1555 PolarHBondContact O-N 3.45Å | ||
| 1554 | K | 60.5 | Low | 57.6 | Low | 145 Ų | 145 | 79.3 Ų | 79.3 | 63% | 0.63 | 45% | 0.445 | S | S | * | . | trans | -49.6 | 138 | 176.1 | -70.3 | 176.3 | 179.1 | 172.2 | 0 | 109.3 | I1552 D1556 G1557 | I1552-K1554 PolarHBondContact O-N 3.33Å; K1554-D1556 PolarHBondContact O-N 3Å; K1554-D1556 VanDerWaalsContact O-N 3.15Å; K1554-G1557 PolarHBondContact O-N 2.9Å | ||
| 1555 | V | 57.9 | Low | 59.5 | Low | 39 Ų | 39 | 73.7 Ų | 73.7 | 24% | 0.236 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -27.6 | -177 | -166 | 0 | 0 | 0 | 0 | 112.1 | T1500 Q1553 G1557 A1618 F1621 A1624 | T1500-V1555 HydrophobicContact CG2-CB 3.93Å; T1500-V1555 HydrophobicContact CG2-CG1 3.35Å; Q1553-V1555 PolarHBondContact O-N 3.45Å; V1555-G1557 VanDerWaalsContact C-N 3.31Å; V1555-G1557 PolarHBondContact O-N 3.19Å; V1555-A1618 HydrophobicContact CG1-CB 3.87Å; V1555-A1618 VanDerWaalsContact CG1-O 3.31Å; V1555-A1618 WeakPolarHBondContact CG1-O 3.33Å; V1555-A1618 WeakPolarHBondContact CG2-O 3.21Å; V1555-F1621 WeakPolarHBondContact O-CD2 3.11Å; V1555-A1624 HydrophobicContact CG1-CB 4.05Å |
| 1556 | D | 62.8 | Low | 61.5 | Low | 54 Ų | 54 | 66 Ų | 66 | 29% | 0.289 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -10.4 | -179.4 | -60.6 | -29.4 | 0 | 0 | 0 | 113.9 | Q1498 T1500 K1554 F1621 | Q1498-D1556 VanDerWaalsContact NE2-CG 3.34Å; Q1498-D1556 PolarHBondContact NE2-OD2 3.24Å; T1500-D1556 WeakPolarHBondContact CB-OD1 3.47Å; T1500-D1556 VanDerWaalsContact CG2-OD1 3.22Å; T1500-D1556 WeakPolarHBondContact CG2-OD1 3.47Å; T1500-D1556 PolarHBondContact OG1-OD1 2.86Å; K1554-D1556 PolarHBondContact O-N 3Å; K1554-D1556 VanDerWaalsContact O-N 3.15Å; D1556-F1621 VanDerWaalsContact C-CD2 3.47Å; D1556-F1621 WeakPolarHBondContact O-CE2 3.12Å |
| 1557 | G | 66.4 | Low | 63.8 | Low | 12 Ų | 12 | 61.4 Ų | 61.4 | 12% | 0.124 | 35% | 0.351 | C | S | . | . | trans | 72 | 139 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | K1554 V1555 F1621 | K1554-G1557 PolarHBondContact O-N 2.9Å; V1555-G1557 VanDerWaalsContact C-N 3.31Å; V1555-G1557 PolarHBondContact O-N 3.19Å; G1557-F1621 VanDerWaalsContact N-CD2 3.28Å | ||
| 1558 | D | 74.5 | Confident | 66 | Low | 89 Ų | 89 | 59 Ų | 59 | 48% | 0.476 | 33% | 0.332 | S | S | . | . | trans | -75.6 | 168.1 | 167.8 | -75.7 | -20 | 0 | 0 | 0 | 110 | T1560 D1561 I1562 | D1558-T1560 PolarHBondContact O-N 3.11Å; D1558-D1561 PolarHBondContact N-OD2 3.08Å; D1558-D1561 WeakPolarHBondContact O-CB 3.29Å; D1558-D1561 PolarHBondContact O-N 3.31Å; D1558-I1562 PolarHBondContact O-N 3.04Å | ||
| 1559 | K | 74.9 | Confident | 68.6 | Low | 103 Ų | 103 | 53.4 Ų | 53.4 | 45% | 0.448 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -52.3 | -32.3 | 178 | -69.8 | -178.6 | 179.1 | 178.7 | 0 | 112.7 | L1493 F1538 L1563 | L1493-K1559 HydrophobicContact CD2-CG 4.43Å; L1493-K1559 VanDerWaalsContact O-CE 3.3Å; L1493-K1559 WeakPolarHBondContact O-CE 3.35Å; F1538-K1559 HydrophobicContact CE1-CB 4.18Å; F1538-K1559 HydrophobicContact CE1-CD 4.15Å; F1538-K1559 HydrophobicContact CE2-CB 4.44Å; F1538-K1559 HydrophobicContact CE2-CD 4.23Å; F1538-K1559 HydrophobicContact CZ-CB 4.07Å; F1538-K1559 HydrophobicContact CZ-CD 3.54Å; F1538-K1559 HydrophobicContact CZ-CG 4.44Å; K1559-L1563 VanDerWaalsContact O-CG 3.22Å; K1559-L1563 WeakPolarHBondContact O-CG 3.42Å; K1559-L1563 PolarHBondContact O-N 2.87Å |
| 1560 | T | 74.4 | Confident | 70.7 | Confident | 28 Ų | 28 | 53.4 Ų | 53.4 | 17% | 0.172 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.2 | -39 | 174.6 | 46.6 | 0 | 0 | 0 | 0 | 113 | F1538 H1540 V1541 D1558 L1563 N1564 | F1538-T1560 HydrophobicContact CB-CG2 4.08Å; F1538-T1560 HydrophobicContact CD1-CG2 4.31Å; F1538-T1560 HydrophobicContact CG-CG2 4.48Å; H1540-T1560 HydrophobicContact CB-CG2 4.27Å; V1541-T1560 HydrophobicContact CG2-CG2 3.98Å; D1558-T1560 PolarHBondContact O-N 3.11Å; T1560-L1563 PolarHBondContact O-N 3.31Å; T1560-N1564 PolarHBondContact O-N 3.34Å; T1560-N1564 PolarHBondContact O-ND2 2.82Å |
| 1561 | D | 79.5 | Confident | 72.8 | Confident | 21 Ų | 21 | 49.4 Ų | 49.4 | 11% | 0.112 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -71.6 | -39.8 | -177.4 | -57.9 | -29.3 | 0 | 0 | 0 | 110.6 | D1558 L1563 N1564 L1565 F1621 | D1558-D1561 PolarHBondContact N-OD2 3.08Å; D1558-D1561 WeakPolarHBondContact O-CB 3.29Å; D1558-D1561 PolarHBondContact O-N 3.31Å; D1561-L1563 VanDerWaalsContact C-N 3.34Å; D1561-L1563 PolarHBondContact O-N 3.03Å; D1561-N1564 WeakPolarHBondContact O-CB 3.42Å; D1561-N1564 PolarHBondContact O-N 2.95Å; D1561-L1565 WeakPolarHBondContact O-CB 3.07Å; D1561-L1565 PolarHBondContact O-N 3.39Å; D1561-F1621 HydrophobicContact CB-CD1 3.7Å; D1561-F1621 HydrophobicContact CB-CE1 3.76Å; D1561-F1621 HydrophobicContact CB-CG 4.36Å; D1561-F1621 HydrophobicContact CB-CZ 4.5Å |
| 1562 | I | 81.8 | Confident | 74.6 | Confident | 13 Ų | 13 | 45.8 Ų | 45.8 | 7% | 0.067 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.1 | -43.7 | 173.8 | -62.1 | 170.1 | 0 | 0 | 0 | 110.6 | I1492 D1558 L1565 L1566 F1621 | I1492-I1562 HydrophobicContact CG2-CD1 3.81Å; I1492-I1562 HydrophobicContact CG2-CG1 4.38Å; I1492-I1562 HydrophobicContact CG2-CG2 3.53Å; D1558-I1562 PolarHBondContact O-N 3.04Å; I1562-L1565 WeakPolarHBondContact O-CB 3.4Å; I1562-L1565 PolarHBondContact O-N 3.46Å; I1562-L1566 WeakPolarHBondContact O-CG 3.11Å; I1562-L1566 PolarHBondContact O-N 2.93Å; I1562-F1621 HydrophobicContact CG1-CZ 4.21Å |
| 1563 | L | 80.2 | Confident | 76.2 | Confident | 6 Ų | 6 | 39.5 Ų | 39.5 | 3% | 0.031 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.5 | -38.5 | 176.8 | -70.6 | 172.2 | 0 | 0 | 0 | 112 | F1531 C1535 F1538 V1541 K1559 T1560 D1561 L1566 R1567 | F1531-L1563 HydrophobicContact CE1-CD2 3.63Å; F1531-L1563 HydrophobicContact CE2-CD2 4.45Å; F1531-L1563 HydrophobicContact CZ-CD2 3.42Å; F1531-L1563 VanDerWaalsContact CZ-CD2 3.42Å; C1535-L1563 VanDerWaalsContact SG-CD2 3.55Å; F1538-L1563 HydrophobicContact CD2-CD1 4.14Å; V1541-L1563 HydrophobicContact CG1-CB 3.86Å; V1541-L1563 HydrophobicContact CG1-CD1 4.46Å; V1541-L1563 HydrophobicContact CG2-CB 3.93Å; V1541-L1563 HydrophobicContact CG2-CD1 3.8Å; K1559-L1563 VanDerWaalsContact O-CG 3.22Å; K1559-L1563 WeakPolarHBondContact O-CG 3.42Å; K1559-L1563 PolarHBondContact O-N 2.87Å; T1560-L1563 PolarHBondContact O-N 3.31Å; D1561-L1563 VanDerWaalsContact C-N 3.34Å; D1561-L1563 PolarHBondContact O-N 3.03Å; L1563-L1566 HydrophobicContact CD2-CD1 4.33Å; L1563-L1566 PolarHBondContact O-N 3.04Å; L1563-R1567 PolarHBondContact O-N 3.18Å |
| 1564 | N | 80.6 | Confident | 77.1 | Confident | 46 Ų | 46 | 42.6 Ų | 42.6 | 25% | 0.246 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.2 | -43.9 | 171.9 | -78.8 | -27.9 | 0 | 0 | 0 | 111.6 | T1560 D1561 L1566 R1567 F1568 | T1560-N1564 PolarHBondContact O-N 3.34Å; T1560-N1564 PolarHBondContact O-ND2 2.82Å; D1561-N1564 WeakPolarHBondContact O-CB 3.42Å; D1561-N1564 PolarHBondContact O-N 2.95Å; N1564-L1566 VanDerWaalsContact C-N 3.33Å; N1564-L1566 PolarHBondContact O-N 3.23Å; N1564-R1567 WeakPolarHBondContact O-CA 3.5Å; N1564-R1567 VanDerWaalsContact O-CB 3.31Å; N1564-R1567 WeakPolarHBondContact O-CB 3.46Å; N1564-R1567 PolarHBondContact O-N 2.83Å; N1564-F1568 WeakPolarHBondContact O-CD2 3.33Å; N1564-F1568 PolarHBondContact O-N 3.32Å |
| 1565 | L | 84.2 | Confident | 77.5 | Confident | 8 Ų | 8 | 41.3 Ų | 41.3 | 4% | 0.042 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57 | -46.7 | 174.4 | 173.8 | 62 | 0 | 0 | 0 | 111 | F1506 V1510 D1561 I1562 R1567 F1568 Y1569 F1621 I1625 I1630 C1632 | F1506-L1565 HydrophobicContact CE1-CD2 3.56Å; F1506-L1565 HydrophobicContact CZ-CD2 3.83Å; V1510-L1565 HydrophobicContact CG1-CD2 4.43Å; V1510-L1565 HydrophobicContact CG1-CG 4.48Å; V1510-L1565 HydrophobicContact CG2-CD2 4.26Å; D1561-L1565 WeakPolarHBondContact O-CB 3.07Å; D1561-L1565 PolarHBondContact O-N 3.39Å; I1562-L1565 WeakPolarHBondContact O-CB 3.4Å; I1562-L1565 PolarHBondContact O-N 3.46Å; L1565-R1567 PolarHBondContact O-N 3.27Å; L1565-F1568 CarbonylContact O-C 3.41Å; L1565-F1568 PolarHBondContact O-N 2.86Å; L1565-F1568 VanDerWaalsContact O-N 3.11Å; L1565-Y1569 WeakPolarHBondContact O-CA 3.48Å; L1565-Y1569 VanDerWaalsContact O-CB 3.3Å; L1565-Y1569 WeakPolarHBondContact O-CB 3.43Å; L1565-Y1569 PolarHBondContact O-N 2.97Å; L1565-F1621 HydrophobicContact CB-CE1 4.14Å; L1565-F1621 HydrophobicContact CB-CZ 4.42Å; L1565-F1621 HydrophobicContact CD2-CE1 4.38Å; L1565-F1621 HydrophobicContact CD2-CZ 3.99Å; L1565-I1625 HydrophobicContact CB-CD1 4.43Å; L1565-I1625 HydrophobicContact CD1-CD1 3.74Å; L1565-I1625 HydrophobicContact CD1-CG1 4.17Å; L1565-I1625 HydrophobicContact CD1-CG2 4.02Å; L1565-I1625 HydrophobicContact CD2-CD1 4.06Å; L1565-I1625 HydrophobicContact CD2-CG1 4.14Å; L1565-I1625 HydrophobicContact CG-CD1 4.28Å; L1565-I1630 HydrophobicContact CD1-CG2 4.4Å; L1565-C1632 WeakPolarHBondContact CD1-SG 3.41Å |
| 1566 | L | 84.7 | Confident | 78 | Confident | 4 Ų | 4 | 41.5 Ų | 41.5 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.3 | -33.1 | 176.3 | -73.1 | 168.4 | 0 | 0 | 0 | 112.3 | V1510 L1513 N1514 F1531 I1562 L1563 N1564 | V1510-L1566 HydrophobicContact CG1-CD2 4.1Å; L1513-L1566 HydrophobicContact CB-CD2 4.11Å; L1513-L1566 HydrophobicContact CD2-CD1 3.57Å; L1513-L1566 HydrophobicContact CD2-CD2 3.93Å; L1513-L1566 HydrophobicContact CD2-CG 4.41Å; L1513-L1566 HydrophobicContact CG-CD1 4.14Å; L1513-L1566 HydrophobicContact CG-CD2 3.94Å; N1514-L1566 HydrophobicContact CB-CD2 4.32Å; N1514-L1566 PolarHBondContact ND2-O 3.29Å; F1531-L1566 HydrophobicContact CE1-CD1 4.44Å; F1531-L1566 HydrophobicContact CZ-CD1 3.76Å; I1562-L1566 WeakPolarHBondContact O-CG 3.11Å; I1562-L1566 PolarHBondContact O-N 2.93Å; L1563-L1566 HydrophobicContact CD2-CD1 4.33Å; L1563-L1566 PolarHBondContact O-N 3.04Å; N1564-L1566 VanDerWaalsContact C-N 3.33Å; N1564-L1566 PolarHBondContact O-N 3.23Å |
| 1567 | R | 82 | Confident | 78.1 | Confident | 22 Ų | 22 | 42.2 Ų | 42.2 | 8% | 0.083 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -69 | -44.4 | 175.3 | -175.2 | 179.8 | -179.7 | 174 | 1.3 | 112.1 | Y1518 L1563 N1564 L1565 L1638 R1642 | Y1518-R1567 WeakPolarHBondContact OH-CA 3.49Å; L1563-R1567 PolarHBondContact O-N 3.18Å; N1564-R1567 WeakPolarHBondContact O-CA 3.5Å; N1564-R1567 VanDerWaalsContact O-CB 3.31Å; N1564-R1567 WeakPolarHBondContact O-CB 3.46Å; N1564-R1567 PolarHBondContact O-N 2.83Å; L1565-R1567 PolarHBondContact O-N 3.27Å; R1567-L1638 HydrophobicContact CG-CD2 4.33Å; R1567-R1642 PolarHBondContact O-NH1 2.81Å |
| 1568 | F | 84.8 | Confident | 77.8 | Confident | 49 Ų | 49 | 48.9 Ų | 48.9 | 22% | 0.215 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -89.3 | -11.5 | -175.7 | -64.2 | -69.6 | 0 | 0 | 0 | 114.3 | N1564 L1565 K1570 C1632 Y1633 T1635 L1638 | N1564-F1568 WeakPolarHBondContact O-CD2 3.33Å; N1564-F1568 PolarHBondContact O-N 3.32Å; L1565-F1568 CarbonylContact O-C 3.41Å; L1565-F1568 PolarHBondContact O-N 2.86Å; L1565-F1568 VanDerWaalsContact O-N 3.11Å; F1568-K1570 PolarHBondContact O-N 2.83Å; F1568-C1632 HydrophobicContact CB-CB 4.19Å; F1568-C1632 CarbonylContact O-C 3.52Å; F1568-C1632 VanDerWaalsContact O-CA 3.25Å; F1568-C1632 WeakPolarHBondContact O-CA 3.43Å; F1568-Y1633 WeakPolarHBondContact CD1-O 3.02Å; F1568-Y1633 WeakPolarHBondContact O-CD2 3.27Å; F1568-Y1633 PolarHBondContact O-N 2.72Å; F1568-T1635 HydrophobicContact CE1-CG2 4.16Å; F1568-T1635 HydrophobicContact CZ-CG2 4.21Å; F1568-L1638 HydrophobicContact CD1-CD1 3.9Å; F1568-L1638 HydrophobicContact CD1-CD2 4.42Å; F1568-L1638 HydrophobicContact CE1-CD1 4.36Å; F1568-L1638 HydrophobicContact CE1-CD2 4.08Å |
| 1569 | Y | 88.5 | Confident | 76.8 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.8 | 126.1 | -177.8 | 177.4 | -93.3 | 0 | 0 | 0 | 111.5 | L1507 V1510 H1511 N1514 L1565 P1572 I1630 R1642 | L1507-Y1569 HydrophobicContact CD1-CE2 4.06Å; V1510-Y1569 HydrophobicContact CG1-CD2 3.44Å; V1510-Y1569 VanDerWaalsContact CG1-CD2 3.44Å; V1510-Y1569 HydrophobicContact CG1-CE2 3.83Å; V1510-Y1569 HydrophobicContact CG1-CG 3.87Å; H1511-Y1569 HydrophobicContact CB-CE1 4.36Å; H1511-Y1569 WeakPolarHBondContact CB-OH 3.37Å; H1511-Y1569 AromaticContact ND1-CE1 3.87Å; H1511-Y1569 AromaticContact ND1-CZ 3.78Å; H1511-Y1569 PolarHBondContact ND1-OH 2.92Å; N1514-Y1569 HydrophobicContact CB-CD1 3.72Å; N1514-Y1569 HydrophobicContact CB-CE1 4.37Å; N1514-Y1569 HydrophobicContact CB-CG 4.32Å; L1565-Y1569 WeakPolarHBondContact O-CA 3.48Å; L1565-Y1569 VanDerWaalsContact O-CB 3.3Å; L1565-Y1569 WeakPolarHBondContact O-CB 3.43Å; L1565-Y1569 PolarHBondContact O-N 2.97Å; Y1569-P1572 VanDerWaalsContact OH-CD 3.23Å; Y1569-P1572 WeakPolarHBondContact OH-CD 3.28Å; Y1569-I1630 HydrophobicContact CD2-CG2 3.6Å; Y1569-I1630 HydrophobicContact CE2-CG2 3.7Å; Y1569-R1642 PolarHBondContact O-NH1 3.31Å |
| 1570 | K | 84.3 | Confident | 75.6 | Confident | 68 Ų | 68 | 48.9 Ų | 48.9 | 30% | 0.296 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | -57.6 | 179.6 | -177 | -177.2 | 176.4 | -165.1 | 0 | 111.2 | R1515 F1568 E1631 Y1633 | R1515-K1570 PolarHBondContact NH2-O 2.92Å; F1568-K1570 PolarHBondContact O-N 2.83Å; K1570-E1631 HydrophobicContact CB-CB 4.34Å; K1570-E1631 VanDerWaalsContact CB-O 3.27Å; K1570-E1631 WeakPolarHBondContact CB-O 3.45Å; K1570-E1631 HydrophobicContact CD-CB 4.42Å; K1570-E1631 PolarHBondContact N-O 2.94Å; K1570-E1631 IonicContact NZ-OE2 3.61Å; K1570-Y1633 HydrophobicContact CB-CD2 3.84Å; K1570-Y1633 HydrophobicContact CB-CE1 4.47Å; K1570-Y1633 HydrophobicContact CB-CE2 3.65Å; K1570-Y1633 HydrophobicContact CB-CG 4.33Å; K1570-Y1633 HydrophobicContact CD-CD1 4.25Å; K1570-Y1633 HydrophobicContact CD-CE1 3.96Å; K1570-Y1633 HydrophobicContact CG-CD1 4.39Å; K1570-Y1633 HydrophobicContact CG-CD2 4.26Å; K1570-Y1633 HydrophobicContact CG-CE1 3.88Å; K1570-Y1633 HydrophobicContact CG-CE2 3.73Å |
| 1571 | Q | 83 | Confident | 74.3 | Confident | 39 Ų | 39 | 54.4 Ų | 54.4 | 18% | 0.182 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.8 | 165 | -174.2 | 58.9 | -174.9 | 9.8 | 0 | 0 | 109.5 | E1631 | Q1571-E1631 HydrophobicContact CG-CB 4.18Å; Q1571-E1631 PolarHBondContact N-O 2.98Å; Q1571-E1631 PolarHBondContact NE2-OE2 2.7Å; Q1571-E1631 WeakPolarHBondContact O-CB 3.19Å; Q1571-E1631 PolarHBondContact O-N 2.93Å |
| 1572 | P | 82.9 | Confident | 72.9 | Confident | 2 Ų | 2 | 57.9 Ų | 57.9 | 1% | 0.013 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 155.1 | 162.4 | 32.2 | -37.6 | 0 | 0 | 0 | 110.4 | L1471 L1475 L1507 Y1569 K1574 L1577 | L1471-P1572 HydrophobicContact CD2-CB 4.08Å; L1471-P1572 HydrophobicContact CD2-CG 4.44Å; L1475-P1572 HydrophobicContact CD1-CB 4.43Å; L1475-P1572 HydrophobicContact CD1-CG 3.68Å; L1507-P1572 HydrophobicContact CD1-CB 3.95Å; L1507-P1572 HydrophobicContact CD2-CB 4.02Å; Y1569-P1572 VanDerWaalsContact OH-CD 3.23Å; Y1569-P1572 WeakPolarHBondContact OH-CD 3.28Å; P1572-K1574 PolarHBondContact O-N 3.33Å; P1572-L1577 HydrophobicContact CG-CD1 3.77Å; P1572-L1577 HydrophobicContact CG-CD2 3.81Å; P1572-L1577 HydrophobicContact CG-CG 3.75Å |
| 1573 | N | 78 | Confident | 71.6 | Confident | 36 Ų | 36 | 59 Ų | 59 | 19% | 0.193 | 29% | 0.292 | C | S | . | . | trans | -51.6 | 127.4 | 176.6 | 176.1 | -8.3 | 0 | 0 | 0 | 110.4 | Q1575 W1576 L1577 S1629 E1631 | N1573-Q1575 PolarHBondContact O-N 2.72Å; N1573-Q1575 WeakPolarHBondContact OD1-CB 3.49Å; N1573-Q1575 PolarHBondContact OD1-N 2.98Å; N1573-W1576 PolarHBondContact O-N 3.02Å; N1573-L1577 PolarHBondContact O-N 3.24Å; N1573-S1629 VanDerWaalsContact CB-O 3.23Å; N1573-S1629 WeakPolarHBondContact CB-O 3.45Å; N1573-S1629 PolarHBondContact N-O 2.91Å; N1573-E1631 WeakPolarHBondContact CA-OE1 3.34Å | ||
| 1574 | K | 72.6 | Confident | 70.5 | Confident | 110 Ų | 110 | 65.8 Ų | 65.8 | 48% | 0.478 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -53.3 | -29.8 | -178 | -67.9 | -174.5 | 178.1 | -175.4 | 0 | 113.3 | P1572 W1576 L1577 Q1578 E1631 | P1572-K1574 PolarHBondContact O-N 3.33Å; K1574-W1576 VanDerWaalsContact C-N 3.32Å; K1574-W1576 PolarHBondContact O-N 3.28Å; K1574-L1577 PolarHBondContact O-N 3.32Å; K1574-Q1578 WeakPolarHBondContact O-CB 3.44Å; K1574-Q1578 WeakPolarHBondContact O-CG 3.37Å; K1574-Q1578 PolarHBondContact O-N 3.07Å; K1574-E1631 PolarHBondContact N-OE1 3Å |
| 1575 | Q | 69.9 | Low | 69.4 | Low | 118 Ų | 118 | 64.8 Ų | 64.8 | 55% | 0.551 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -58.9 | -42.1 | 176.6 | -68.4 | -178.3 | -16 | 0 | 0 | 111.9 | N1573 Q1578 Q1579 | N1573-Q1575 PolarHBondContact O-N 2.72Å; N1573-Q1575 WeakPolarHBondContact OD1-CB 3.49Å; N1573-Q1575 PolarHBondContact OD1-N 2.98Å; Q1575-Q1578 PolarHBondContact O-N 3.33Å; Q1575-Q1579 VanDerWaalsContact O-CB 3.31Å; Q1575-Q1579 WeakPolarHBondContact O-CB 2.96Å; Q1575-Q1579 WeakPolarHBondContact O-CG 3.2Å; Q1575-Q1579 PolarHBondContact O-N 3.07Å |
| 1576 | W | 68 | Low | 68.3 | Low | 43 Ų | 43 | 68.7 Ų | 68.7 | 16% | 0.163 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -74.4 | -26 | 178.7 | -71.8 | 104 | 0 | 0 | 0 | 113.3 | L1464 S1465 L1471 N1573 K1574 S1629 | L1464-W1576 VanDerWaalsContact C-CH2 3.44Å; L1464-W1576 HydrophobicContact CB-CD2 3.91Å; L1464-W1576 HydrophobicContact CB-CE3 3.88Å; L1464-W1576 HydrophobicContact CB-CH2 3.77Å; L1464-W1576 HydrophobicContact CB-CZ2 3.75Å; L1464-W1576 HydrophobicContact CB-CZ3 3.82Å; L1464-W1576 HydrophobicContact CD1-CD2 4.23Å; L1464-W1576 HydrophobicContact CD1-CG 4.26Å; L1464-W1576 WeakPolarHBondContact O-CZ3 3.49Å; S1465-W1576 VanDerWaalsContact CA-CH2 3.45Å; S1465-W1576 VanDerWaalsContact N-CH2 3.3Å; L1471-W1576 HydrophobicContact CD2-CB 4.02Å; N1573-W1576 PolarHBondContact O-N 3.02Å; K1574-W1576 VanDerWaalsContact C-N 3.32Å; K1574-W1576 PolarHBondContact O-N 3.28Å; W1576-S1629 PolarHBondContact NE1-OG 3.04Å |
| 1577 | L | 65.9 | Low | 67 | Low | 69 Ų | 69 | 72.7 Ų | 72.7 | 36% | 0.361 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -74.6 | -31.1 | 172.9 | -71.1 | 171.9 | 0 | 0 | 0 | 112.5 | L1475 P1572 N1573 K1574 | L1475-L1577 HydrophobicContact CD1-CD2 4.38Å; P1572-L1577 HydrophobicContact CG-CD1 3.77Å; P1572-L1577 HydrophobicContact CG-CD2 3.81Å; P1572-L1577 HydrophobicContact CG-CG 3.75Å; N1573-L1577 PolarHBondContact O-N 3.24Å; K1574-L1577 PolarHBondContact O-N 3.32Å |
| 1578 | Q | 59.9 | Low | 65.8 | Low | 152 Ų | 152 | 74.1 Ų | 74.1 | 71% | 0.71 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -91.8 | -18.9 | -178.3 | -69.4 | 177.8 | -7 | 0 | 0 | 113.4 | K1574 Q1575 T1580 | K1574-Q1578 WeakPolarHBondContact O-CB 3.44Å; K1574-Q1578 WeakPolarHBondContact O-CG 3.37Å; K1574-Q1578 PolarHBondContact O-N 3.07Å; Q1575-Q1578 PolarHBondContact O-N 3.33Å; Q1578-T1580 PolarHBondContact O-N 3.05Å; Q1578-T1580 VanDerWaalsContact O-N 3.1Å |
| 1579 | Q | 53.8 | Low | 64.7 | Low | 68 Ų | 68 | 72.3 Ų | 72.3 | 32% | 0.318 | 36% | 0.363 | S | S | . | . | trans | -73.6 | 102.7 | -177.5 | -86.6 | 179.4 | 21.7 | 0 | 0 | 111.9 | Q1575 K1581 | Q1575-Q1579 VanDerWaalsContact O-CB 3.31Å; Q1575-Q1579 WeakPolarHBondContact O-CB 2.96Å; Q1575-Q1579 WeakPolarHBondContact O-CG 3.2Å; Q1575-Q1579 PolarHBondContact O-N 3.07Å; Q1579-K1581 HydrophobicContact CB-CB 4.39Å; Q1579-K1581 HydrophobicContact CG-CB 4.21Å; Q1579-K1581 HydrophobicContact CG-CD 4.04Å; Q1579-K1581 HydrophobicContact CG-CG 4.03Å | ||
| 1580 | T | 49.7 | Very low | 63 | Low | 124 Ų | 124 | 77.9 Ų | 77.9 | 76% | 0.761 | 39% | 0.389 | S | S | * | . | trans | -91 | 26.9 | 146.9 | 48.6 | 0 | 0 | 0 | 0 | 110.7 | Q1578 S1582 | Q1578-T1580 PolarHBondContact O-N 3.05Å; Q1578-T1580 VanDerWaalsContact O-N 3.1Å; T1580-S1582 PolarHBondContact O-N 2.85Å | ||
| 1581 | K | 45.7 | Very low | 61.3 | Low | 145 Ų | 145 | 77.2 Ų | 77.2 | 63% | 0.63 | 39% | 0.391 | S | S | * | . | trans | -60 | 141.2 | -178.6 | -88.5 | -172.6 | 178.2 | -178.5 | 0 | 109.8 | Q1579 I1583 | Q1579-K1581 HydrophobicContact CB-CB 4.39Å; Q1579-K1581 HydrophobicContact CG-CB 4.21Å; Q1579-K1581 HydrophobicContact CG-CD 4.04Å; Q1579-K1581 HydrophobicContact CG-CG 4.03Å; K1581-I1583 PolarHBondContact O-N 3.43Å | ||
| 1582 | S | 49.6 | Very low | 59.2 | Low | 94 Ų | 94 | 76.8 Ų | 76.8 | 66% | 0.657 | 40% | 0.396 | S | S | * | . | trans | -53.2 | 98.9 | 167.9 | 59.1 | 0 | 0 | 0 | 0 | 108.8 | T1580 K1584 | T1580-S1582 PolarHBondContact O-N 2.85Å; S1582-K1584 PolarHBondContact O-N 2.96Å; S1582-K1584 VanDerWaalsContact O-N 3.15Å | ||
| 1583 | I | 54.7 | Low | 57 | Low | 35 Ų | 35 | 83.2 Ų | 83.2 | 18% | 0.179 | 43% | 0.43 | C | S | . | . | trans | -54.8 | 125.1 | 167.7 | -63.5 | 158.8 | 0 | 0 | 0 | 105 | Y1375 L1467 K1581 L1585 | Y1375-I1583 HydrophobicContact CD2-CD1 4.21Å; Y1375-I1583 HydrophobicContact CE2-CD1 4.16Å; L1467-I1583 WeakPolarHBondContact O-CD1 3.46Å; K1581-I1583 PolarHBondContact O-N 3.43Å; I1583-L1585 HydrophobicContact CB-CD2 4.48Å; I1583-L1585 HydrophobicContact CG2-CD2 4.19Å; I1583-L1585 PolarHBondContact O-N 3.34Å | ||
| 1584 | K | 57.8 | Low | 54.7 | Low | 149 Ų | 149 | 89.9 Ų | 89.9 | 65% | 0.648 | 46% | 0.459 | S | S | * | . | trans | -71.3 | 85 | 171.1 | -74.1 | -173.4 | 179 | -177.8 | 0 | 106.8 | S1582 N1586 T1587 N1588 | S1582-K1584 PolarHBondContact O-N 2.96Å; S1582-K1584 VanDerWaalsContact O-N 3.15Å; K1584-N1586 PolarHBondContact O-N 3.22Å; K1584-N1586 VanDerWaalsContact O-N 3.13Å; K1584-T1587 VanDerWaalsContact CB-OG1 3.22Å; K1584-T1587 WeakPolarHBondContact CB-OG1 3.48Å; K1584-T1587 PolarHBondContact O-N 2.79Å; K1584-T1587 PolarHBondContact O-OG1 3.3Å; K1584-N1588 PolarHBondContact O-N 3.4Å | ||
| 1585 | L | 58.6 | Low | 52.6 | Low | 26 Ų | 26 | 90.3 Ų | 90.3 | 14% | 0.136 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -52 | -37.6 | -176.1 | -66.9 | 166.3 | 0 | 0 | 0 | 110.7 | A1371 E1372 Y1375 I1583 T1587 L1589 | A1371-L1585 HydrophobicContact CB-CD2 4.15Å; E1372-L1585 HydrophobicContact CB-CD1 4.34Å; E1372-L1585 HydrophobicContact CG-CD1 3.64Å; Y1375-L1585 HydrophobicContact CD1-CD1 4.44Å; Y1375-L1585 HydrophobicContact CG-CD1 4.41Å; I1583-L1585 HydrophobicContact CB-CD2 4.48Å; I1583-L1585 HydrophobicContact CG2-CD2 4.19Å; I1583-L1585 PolarHBondContact O-N 3.34Å; L1585-T1587 PolarHBondContact O-N 2.88Å; L1585-L1589 HydrophobicContact CB-CD1 4.49Å; L1585-L1589 HydrophobicContact CD2-CD1 3.57Å; L1585-L1589 WeakPolarHBondContact O-CB 3.31Å |
| 1586 | N | 59.2 | Low | 50.6 | Low | 89 Ų | 89 | 86.9 Ų | 86.9 | 48% | 0.476 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -70.9 | -24.7 | -178.4 | -59.4 | 2 | 0 | 0 | 0 | 114.5 | Q1368 K1584 H1590 | Q1368-N1586 PolarHBondContact NE2-OD1 2.91Å; K1584-N1586 PolarHBondContact O-N 3.22Å; K1584-N1586 VanDerWaalsContact O-N 3.13Å; N1586-H1590 PolarHBondContact O-CD2 3.44Å |
| 1587 | T | 58 | Low | 48.6 | Very low | 89 Ų | 89 | 93.5 Ų | 93.5 | 55% | 0.546 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -104.5 | -40.3 | -176.9 | 57.9 | 0 | 0 | 0 | 0 | 112.5 | K1584 L1585 | K1584-T1587 VanDerWaalsContact CB-OG1 3.22Å; K1584-T1587 WeakPolarHBondContact CB-OG1 3.48Å; K1584-T1587 PolarHBondContact O-N 2.79Å; K1584-T1587 PolarHBondContact O-OG1 3.3Å; L1585-T1587 PolarHBondContact O-N 2.88Å |
| 1588 | N | 57.6 | Low | 46.8 | Very low | 51 Ų | 51 | 95.3 Ų | 95.3 | 27% | 0.273 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -83.1 | -24.1 | -170 | -66.1 | 4.6 | 0 | 0 | 0 | 112.6 | S1465 Q1466 K1584 | S1465-N1588 PolarHBondContact O-ND2 3.48Å; Q1466-N1588 WeakPolarHBondContact CG-O 3.09Å; Q1466-N1588 PolarHBondContact NE2-O 2.89Å; K1584-N1588 PolarHBondContact O-N 3.4Å |
| 1589 | L | 61 | Low | 45.1 | Very low | 11 Ų | 11 | 94.8 Ų | 94.8 | 6% | 0.058 | 50% | 0.504 | C | S | . | . | S | Bend | trans | -103 | -2.4 | -175.8 | -64.1 | 170.8 | 0 | 0 | 0 | 113.9 | A1371 P1427 V1428 Q1466 V1468 L1585 V1591 | A1371-L1589 HydrophobicContact CB-CD1 3.46Å; A1371-L1589 VanDerWaalsContact CB-CD1 3.46Å; P1427-L1589 HydrophobicContact CB-CD2 3.83Å; P1427-L1589 HydrophobicContact CG-CD2 4.03Å; V1428-L1589 HydrophobicContact CG2-CB 4.01Å; V1428-L1589 HydrophobicContact CG2-CD1 4.33Å; V1428-L1589 HydrophobicContact CG2-CD2 4.36Å; V1428-L1589 HydrophobicContact CG2-CG 4.48Å; Q1466-L1589 HydrophobicContact CB-CD2 4.09Å; Q1466-L1589 WeakPolarHBondContact O-CD2 3.2Å; V1468-L1589 HydrophobicContact CG2-CD1 4.24Å; L1585-L1589 HydrophobicContact CB-CD1 4.49Å; L1585-L1589 HydrophobicContact CD2-CD1 3.57Å; L1585-L1589 WeakPolarHBondContact O-CB 3.31Å; L1589-V1591 PolarHBondContact O-N 3.27Å |
| 1590 | H | 52.4 | Low | 43.7 | Very low | 117 Ų | 117 | 98 Ų | 98 | 54% | 0.542 | 52% | 0.523 | S | S | . | . | trans | -69.2 | 122.5 | 176.9 | -108.8 | -40.9 | 0 | 0 | 0 | 110.9 | N1586 | N1586-H1590 PolarHBondContact O-CD2 3.44Š| ||
| 1591 | V | 48.6 | Very low | 42.6 | Very low | 55 Ų | 55 | 98.3 Ų | 98.3 | 33% | 0.333 | 52% | 0.519 | S | S | . | . | trans | -126.6 | 82.4 | 158.7 | -178.3 | 0 | 0 | 0 | 0 | 105.6 | F1363 P1427 L1589 | F1363-V1591 HydrophobicContact CD1-CB 4.23Å; F1363-V1591 WeakPolarHBondContact CD1-O 3.47Å; F1363-V1591 HydrophobicContact CE1-CB 3.75Å; F1363-V1591 HydrophobicContact CE1-CG1 3.8Å; P1427-V1591 HydrophobicContact CG-CG2 4.08Å; L1589-V1591 PolarHBondContact O-N 3.27Å | ||
| 1592 | G | 39.3 | Very low | 41.7 | Very low | 29 Ų | 29 | 98.5 Ų | 98.5 | 30% | 0.299 | 52% | 0.522 | S | S | . | . | trans | -68.1 | 135.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | H1594 D1595 | G1592-H1594 PolarHBondContact O-N 3.44Å; G1592-D1595 PolarHBondContact O-N 2.96Å | ||
| 1593 | I | 36 | Very low | 40.6 | Very low | 138 Ų | 138 | 99.9 Ų | 99.9 | 71% | 0.708 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -26.2 | 172.8 | -64.9 | 166 | 0 | 0 | 0 | 111 | ||
| 1594 | H | 31.3 | Very low | 39.3 | Very low | 176 Ų | 176 | 105.7 Ų | 105.7 | 82% | 0.815 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | -13.7 | 177.8 | -75.4 | -63.9 | 0 | 0 | 0 | 115.6 | G1592 S1596 | G1592-H1594 PolarHBondContact O-N 3.44Å; H1594-S1596 PolarHBondContact O-N 3.49Å; H1594-S1596 VanDerWaalsContact O-N 3.14Å |
| 1595 | D | 28.6 | Very low | 38 | Very low | 118 Ų | 118 | 106.6 Ų | 106.6 | 63% | 0.631 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -93.9 | 62.6 | 171.1 | -77.3 | -25 | 0 | 0 | 0 | 109.7 | G1592 | G1592-D1595 PolarHBondContact O-N 2.96Š|
| 1596 | S | 27.9 | Very low | 36.8 | Very low | 47 Ų | 47 | 112.7 Ų | 112.7 | 33% | 0.329 | 60% | 0.598 | S | S | . | * | trans | 48.7 | 94.1 | 141.1 | -15.4 | 0 | 0 | 0 | 0 | 117.4 | H1594 V1598 H1599 | H1594-S1596 PolarHBondContact O-N 3.49Å; H1594-S1596 VanDerWaalsContact O-N 3.14Å; S1596-V1598 PolarHBondContact O-N 3.43Å; S1596-H1599 WeakPolarHBondContact OG-CB 3.45Å | ||
| 1597 | L | 26.3 | Very low | 35.5 | Very low | 181 Ų | 181 | 115.2 Ų | 115.2 | 95% | 0.948 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.1 | 3.2 | 148.5 | -89 | 159.4 | 0 | 0 | 0 | 113.8 | ||
| 1598 | V | 27.5 | Very low | 34.4 | Very low | 108 Ų | 108 | 116.4 Ų | 116.4 | 66% | 0.655 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -146.3 | -27.6 | -179.6 | -176.3 | 0 | 0 | 0 | 0 | 116 | S1596 | S1596-V1598 PolarHBondContact O-N 3.43Š|
| 1599 | H | 23.3 | Very low | 33.4 | Very low | 140 Ų | 140 | 120.4 Ų | 120.4 | 65% | 0.648 | 64% | 0.644 | S | S | * | * | G | 310 helix | trans | -88.4 | -13.5 | -164.1 | -122.7 | -61.5 | 0 | 0 | 0 | 117.1 | S1596 I1601 | S1596-H1599 WeakPolarHBondContact OG-CB 3.45Å; H1599-I1601 PolarHBondContact O-N 3.18Å |
| 1600 | L | 24 | Very low | 32.2 | Very low | 135 Ų | 135 | 125.2 Ų | 125.2 | 71% | 0.707 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -80.1 | 0.9 | 170 | -106.1 | 164.1 | 0 | 0 | 0 | 113.5 | H1602 | L1600-H1602 PolarHBondContact O-N 3.06Š|
| 1601 | I | 28.6 | Very low | 31.9 | Very low | 132 Ų | 132 | 123 Ų | 123 | 68% | 0.677 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -68.3 | -11.5 | 170.6 | -67.5 | 177.1 | 0 | 0 | 0 | 111.7 | H1599 | H1599-I1601 PolarHBondContact O-N 3.18Š|
| 1602 | H | 26.5 | Very low | 31.5 | Very low | 149 Ų | 149 | 125 Ų | 125 | 69% | 0.69 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -130.3 | -3.4 | -168.8 | -101.6 | -58.2 | 0 | 0 | 0 | 121.9 | L1600 | L1600-H1602 PolarHBondContact O-N 3.06Š|
| 1603 | N | 25 | Very low | 31.7 | Very low | 122 Ų | 122 | 126.3 Ų | 126.3 | 65% | 0.652 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -148.1 | 96.3 | 178.5 | -75.6 | -43.7 | 0 | 0 | 0 | 114 | ||
| 1604 | N | 27.9 | Very low | 32.5 | Very low | 157 Ų | 157 | 123.5 Ų | 123.5 | 84% | 0.84 | 66% | 0.659 | S | S | * | * | 164 | 98.6 | 128.4 | -86.7 | -16.7 | 0 | 0 | 0 | 109.9 | N1606 | N1604-N1606 PolarHBondContact O-N 3.29Š| |||
| 1605 | D | 30.3 | Very low | 33.7 | Very low | 169 Ų | 169 | 115.8 Ų | 115.8 | 90% | 0.904 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | 19.9 | -178.4 | -86 | -37.4 | 0 | 0 | 0 | 115.7 | ||
| 1606 | N | 33.5 | Very low | 35.1 | Very low | 154 Ų | 154 | 114.3 Ų | 114.3 | 82% | 0.824 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.9 | 5 | -170 | -80.9 | -24.4 | 0 | 0 | 0 | 117.9 | N1604 | N1604-N1606 PolarHBondContact O-N 3.29Š|
| 1607 | D | 32.2 | Very low | 36.9 | Very low | 141 Ų | 141 | 117.2 Ų | 117.2 | 75% | 0.754 | 63% | 0.631 | S | S | * | * | trans | -117.3 | 93.6 | 165.8 | -86.4 | -31.9 | 0 | 0 | 0 | 110.5 | N1609 | D1607-N1609 PolarHBondContact O-N 2.8Š| ||
| 1608 | S | 34.3 | Very low | 38.8 | Very low | 114 Ų | 114 | 108.8 Ų | 108.8 | 80% | 0.797 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | 27.2 | -171.3 | 63.6 | 0 | 0 | 0 | 0 | 115.9 | ||
| 1609 | N | 36.9 | Very low | 40.7 | Very low | 135 Ų | 135 | 111.6 Ų | 111.6 | 72% | 0.722 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.6 | 14.6 | -175.1 | -84.1 | -23.8 | 0 | 0 | 0 | 115.5 | D1607 D1611 | D1607-N1609 PolarHBondContact O-N 2.8Å; N1609-D1611 PolarHBondContact O-N 2.81Å; N1609-D1611 VanDerWaalsContact O-N 3.16Å |
| 1610 | N | 36.9 | Very low | 43.1 | Very low | 112 Ų | 112 | 107.6 Ų | 107.6 | 60% | 0.599 | 58% | 0.577 | S | S | * | * | trans | -83.1 | 88.7 | 175.4 | -84.2 | -16.9 | 0 | 0 | 0 | 112 | Y1612 A1613 | N1610-Y1612 VanDerWaalsContact C-N 3.29Å; N1610-Y1612 PolarHBondContact O-N 3.48Å; N1610-Y1612 VanDerWaalsContact O-N 3.17Å; N1610-A1613 WeakPolarHBondContact O-CB 3.16Å; N1610-A1613 PolarHBondContact O-N 2.9Å; N1610-A1613 VanDerWaalsContact O-N 3.13Å | ||
| 1611 | D | 44.7 | Very low | 45.5 | Very low | 72 Ų | 72 | 101.3 Ų | 101.3 | 39% | 0.385 | 54% | 0.543 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -25.8 | -172.6 | -74.8 | -30 | 0 | 0 | 0 | 116.1 | N1609 A1613 N1614 | N1609-D1611 PolarHBondContact O-N 2.81Å; N1609-D1611 VanDerWaalsContact O-N 3.16Å; D1611-A1613 VanDerWaalsContact C-N 3.3Å; D1611-A1613 PolarHBondContact O-N 3.37Å; D1611-N1614 PolarHBondContact O-N 3.49Å |
| 1612 | Y | 40.6 | Very low | 47.7 | Very low | 95 Ų | 95 | 99.7 Ų | 99.7 | 37% | 0.373 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.4 | -33.4 | 177.4 | -135.5 | -66.7 | 0 | 0 | 0 | 111.9 | R1461 V1463 N1610 N1614 | R1461-Y1612 PolarHBondContact O-OH 3.45Å; V1463-Y1612 HydrophobicContact CB-CD2 4.06Å; V1463-Y1612 HydrophobicContact CB-CE2 4.03Å; V1463-Y1612 HydrophobicContact CG2-CD2 3.36Å; V1463-Y1612 HydrophobicContact CG2-CE2 3.11Å; V1463-Y1612 HydrophobicContact CG2-CG 4.21Å; N1610-Y1612 VanDerWaalsContact C-N 3.29Å; N1610-Y1612 PolarHBondContact O-N 3.48Å; N1610-Y1612 VanDerWaalsContact O-N 3.17Å; Y1612-N1614 PolarHBondContact O-N 3.31Å; Y1612-N1614 VanDerWaalsContact O-N 3.08Å |
| 1613 | A | 43.9 | Very low | 50 | Low | 58 Ų | 58 | 95.5 Ų | 95.5 | 48% | 0.479 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.6 | -10.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.6 | N1610 D1611 N1617 | N1610-A1613 WeakPolarHBondContact O-CB 3.16Å; N1610-A1613 PolarHBondContact O-N 2.9Å; N1610-A1613 VanDerWaalsContact O-N 3.13Å; D1611-A1613 VanDerWaalsContact C-N 3.3Å; D1611-A1613 PolarHBondContact O-N 3.37Å; A1613-N1617 PolarHBondContact O-ND2 3.42Å |
| 1614 | N | 52 | Low | 52.4 | Low | 79 Ų | 79 | 89.7 Ų | 89.7 | 42% | 0.422 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -101.7 | -38.9 | -173.2 | -82.4 | -29.7 | 0 | 0 | 0 | 115.1 | D1611 Y1612 N1617 K1627 | D1611-N1614 PolarHBondContact O-N 3.49Å; Y1612-N1614 PolarHBondContact O-N 3.31Å; Y1612-N1614 VanDerWaalsContact O-N 3.08Å; N1614-N1617 PolarHBondContact O-N 2.94Å; N1614-K1627 HydrophobicContact CB-CD 4.28Å; N1614-K1627 WeakPolarHBondContact O-CD 3.41Å; N1614-K1627 VanDerWaalsContact O-CE 3.26Å; N1614-K1627 WeakPolarHBondContact O-CE 3.17Å; N1614-K1627 PolarHBondContact O-NZ 2.76Å |
| 1615 | I | 56.2 | Low | 54.8 | Low | 13 Ų | 13 | 82.6 Ų | 82.6 | 7% | 0.067 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -68.4 | -42.5 | -174.8 | -62.1 | 170.9 | 0 | 0 | 0 | 111.9 | P1503 N1617 A1618 K1627 A1628 | P1503-I1615 HydrophobicContact CB-CD1 4.1Å; P1503-I1615 HydrophobicContact CG-CD1 4.13Å; I1615-N1617 PolarHBondContact O-N 2.82Å; I1615-A1618 WeakPolarHBondContact O-CB 3.25Å; I1615-A1618 PolarHBondContact O-N 3.12Å; I1615-K1627 HydrophobicContact CG1-CB 3.71Å; I1615-A1628 HydrophobicContact CD1-CB 4.46Å |
| 1616 | T | 58.5 | Low | 56.9 | Low | 87 Ų | 87 | 80.9 Ų | 80.9 | 53% | 0.534 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -26.6 | 178.5 | 51 | 0 | 0 | 0 | 0 | 112.7 | A1618 | T1616-A1618 VanDerWaalsContact C-N 3.29Š|
| 1617 | N | 65.2 | Low | 58.7 | Low | 108 Ų | 108 | 76.2 Ų | 76.2 | 58% | 0.578 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -0.4 | 175.3 | -75.2 | -21.7 | 0 | 0 | 0 | 113.8 | A1613 N1614 I1615 K1619 | A1613-N1617 PolarHBondContact O-ND2 3.42Å; N1614-N1617 PolarHBondContact O-N 2.94Å; I1615-N1617 PolarHBondContact O-N 2.82Å; N1617-K1619 PolarHBondContact O-N 3.43Å |
| 1618 | A | 66.7 | Low | 60.6 | Low | 4 Ų | 4 | 69.7 Ų | 69.7 | 3% | 0.033 | 38% | 0.376 | C | S | . | . | trans | -65.9 | 129.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | V1555 I1615 T1616 E1623 A1624 K1627 | V1555-A1618 HydrophobicContact CG1-CB 3.87Å; V1555-A1618 VanDerWaalsContact CG1-O 3.31Å; V1555-A1618 WeakPolarHBondContact CG1-O 3.33Å; V1555-A1618 WeakPolarHBondContact CG2-O 3.21Å; I1615-A1618 WeakPolarHBondContact O-CB 3.25Å; I1615-A1618 PolarHBondContact O-N 3.12Å; T1616-A1618 VanDerWaalsContact C-N 3.29Å; A1618-E1623 HydrophobicContact CB-CB 4.2Å; A1618-E1623 HydrophobicContact CB-CG 4.22Å; A1618-A1624 HydrophobicContact CB-CB 3.92Å; A1618-K1627 HydrophobicContact CB-CD 4.17Å | ||
| 1619 | K | 68 | Low | 62.3 | Low | 168 Ų | 168 | 65.4 Ų | 65.4 | 73% | 0.73 | 35% | 0.346 | S | S | * | . | trans | -93.1 | -19.4 | 179.8 | -67.6 | -178.8 | -179.2 | 176.2 | 0 | 113.1 | N1617 E1623 | N1617-K1619 PolarHBondContact O-N 3.43Å; K1619-E1623 PolarHBondContact N-OE2 3.26Å | ||
| 1620 | T | 72.5 | Confident | 64.4 | Low | 56 Ų | 56 | 59.2 Ų | 59.2 | 34% | 0.344 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -131.7 | 153.1 | -179.6 | 63.7 | 0 | 0 | 0 | 0 | 110.7 | N1622 E1623 A1624 | T1620-N1622 VanDerWaalsContact C-N 3.28Å; T1620-N1622 PolarHBondContact O-N 2.62Å; T1620-E1623 WeakPolarHBondContact O-CB 3.27Å; T1620-E1623 PolarHBondContact O-N 3.44Å; T1620-E1623 VanDerWaalsContact O-N 3.12Å; T1620-E1623 WeakPolarHBondContact OG1-CB 3.4Å; T1620-E1623 PolarHBondContact OG1-N 2.75Å; T1620-A1624 PolarHBondContact O-N 2.76Å; T1620-A1624 VanDerWaalsContact O-N 3.08Å |
| 1621 | F | 75.7 | Confident | 66.6 | Low | 2 Ų | 2 | 56.2 Ų | 56.2 | 1% | 0.009 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -56.5 | -40.4 | 176.2 | -178.9 | -111.9 | 0 | 0 | 0 | 112.7 | I1499 F1506 V1555 D1556 G1557 D1561 I1562 L1565 E1623 A1624 I1625 | I1499-F1621 HydrophobicContact CG2-CD2 4.23Å; I1499-F1621 HydrophobicContact CG2-CE2 4.09Å; F1506-F1621 HydrophobicContact CZ-CE2 4.3Å; F1506-F1621 HydrophobicContact CZ-CZ 4.22Å; V1555-F1621 WeakPolarHBondContact O-CD2 3.11Å; D1556-F1621 VanDerWaalsContact C-CD2 3.47Å; D1556-F1621 WeakPolarHBondContact O-CE2 3.12Å; G1557-F1621 VanDerWaalsContact N-CD2 3.28Å; D1561-F1621 HydrophobicContact CB-CD1 3.7Å; D1561-F1621 HydrophobicContact CB-CE1 3.76Å; D1561-F1621 HydrophobicContact CB-CG 4.36Å; D1561-F1621 HydrophobicContact CB-CZ 4.5Å; I1562-F1621 HydrophobicContact CG1-CZ 4.21Å; L1565-F1621 HydrophobicContact CB-CE1 4.14Å; L1565-F1621 HydrophobicContact CB-CZ 4.42Å; L1565-F1621 HydrophobicContact CD2-CE1 4.38Å; L1565-F1621 HydrophobicContact CD2-CZ 3.99Å; F1621-E1623 VanDerWaalsContact C-N 3.32Å; F1621-E1623 PolarHBondContact O-N 3.29Å; F1621-A1624 WeakPolarHBondContact O-CB 3.45Å; F1621-A1624 PolarHBondContact O-N 3.34Å; F1621-A1624 VanDerWaalsContact O-N 3.17Å; F1621-I1625 HydrophobicContact CD1-CD1 3.55Å; F1621-I1625 HydrophobicContact CD1-CG1 4.45Å; F1621-I1625 HydrophobicContact CE1-CD1 3.38Å; F1621-I1625 HydrophobicContact CE1-CG1 4.25Å; F1621-I1625 HydrophobicContact CG-CD1 4.26Å; F1621-I1625 HydrophobicContact CZ-CD1 3.94Å; F1621-I1625 HydrophobicContact CZ-CG1 4.37Å; F1621-I1625 WeakPolarHBondContact O-CG1 3.36Å; F1621-I1625 PolarHBondContact O-N 3.21Å |
| 1622 | N | 74.9 | Confident | 68.4 | Low | 98 Ų | 98 | 55 Ų | 55 | 52% | 0.524 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.3 | -36.9 | 177 | -70.5 | -32.5 | 0 | 0 | 0 | 112.8 | T1620 I1625 L1626 | T1620-N1622 VanDerWaalsContact C-N 3.28Å; T1620-N1622 PolarHBondContact O-N 2.62Å; N1622-I1625 PolarHBondContact O-N 2.89Å; N1622-L1626 WeakPolarHBondContact O-CG 3.37Å; N1622-L1626 PolarHBondContact O-N 2.77Å |
| 1623 | E | 73.9 | Confident | 70.4 | Confident | 62 Ų | 62 | 53 Ų | 53 | 29% | 0.29 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -67.4 | -39.1 | 174.7 | -167.1 | -169.3 | 162.4 | 0 | 0 | 111.3 | A1618 K1619 T1620 F1621 I1625 L1626 K1627 | A1618-E1623 HydrophobicContact CB-CB 4.2Å; A1618-E1623 HydrophobicContact CB-CG 4.22Å; K1619-E1623 PolarHBondContact N-OE2 3.26Å; T1620-E1623 WeakPolarHBondContact O-CB 3.27Å; T1620-E1623 PolarHBondContact O-N 3.44Å; T1620-E1623 VanDerWaalsContact O-N 3.12Å; T1620-E1623 WeakPolarHBondContact OG1-CB 3.4Å; T1620-E1623 PolarHBondContact OG1-N 2.75Å; F1621-E1623 VanDerWaalsContact C-N 3.32Å; F1621-E1623 PolarHBondContact O-N 3.29Å; E1623-I1625 VanDerWaalsContact C-N 3.35Å; E1623-I1625 PolarHBondContact O-N 3.5Å; E1623-L1626 PolarHBondContact O-N 3.31Å; E1623-K1627 HydrophobicContact CG-CD 4.14Å; E1623-K1627 WeakPolarHBondContact O-CB 3.4Å; E1623-K1627 WeakPolarHBondContact O-CG 3.03Å; E1623-K1627 PolarHBondContact O-N 3.1Å; E1623-K1627 VanDerWaalsContact OE1-CE 3.3Å; E1623-K1627 WeakPolarHBondContact OE1-CE 3.37Å; E1623-K1627 IonicContact OE1-NZ 2.72Å; E1623-K1627 PolarHBondContact OE1-NZ 3.48Å |
| 1624 | A | 76.7 | Confident | 72 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.1 | -39.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I1499 V1555 A1618 T1620 F1621 K1627 A1628 | I1499-A1624 HydrophobicContact CD1-CB 4.48Å; I1499-A1624 HydrophobicContact CG2-CB 3.9Å; V1555-A1624 HydrophobicContact CG1-CB 4.05Å; A1618-A1624 HydrophobicContact CB-CB 3.92Å; T1620-A1624 PolarHBondContact O-N 2.76Å; T1620-A1624 VanDerWaalsContact O-N 3.08Å; F1621-A1624 WeakPolarHBondContact O-CB 3.45Å; F1621-A1624 PolarHBondContact O-N 3.34Å; F1621-A1624 VanDerWaalsContact O-N 3.17Å; A1624-K1627 PolarHBondContact O-N 2.66Å; A1624-A1628 WeakPolarHBondContact O-CB 3.46Å; A1624-A1628 PolarHBondContact O-N 3.05Å |
| 1625 | I | 77.8 | Confident | 72.9 | Confident | 7 Ų | 7 | 56.4 Ų | 56.4 | 4% | 0.036 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.5 | -48 | 175.1 | -68.9 | 160.2 | 0 | 0 | 0 | 111.5 | I1499 L1565 F1621 N1622 E1623 K1627 A1628 S1629 I1630 | I1499-I1625 HydrophobicContact CD1-CB 4.3Å; I1499-I1625 HydrophobicContact CD1-CG1 3.74Å; L1565-I1625 HydrophobicContact CB-CD1 4.43Å; L1565-I1625 HydrophobicContact CD1-CD1 3.74Å; L1565-I1625 HydrophobicContact CD1-CG1 4.17Å; L1565-I1625 HydrophobicContact CD1-CG2 4.02Å; L1565-I1625 HydrophobicContact CD2-CD1 4.06Å; L1565-I1625 HydrophobicContact CD2-CG1 4.14Å; L1565-I1625 HydrophobicContact CG-CD1 4.28Å; F1621-I1625 HydrophobicContact CD1-CD1 3.55Å; F1621-I1625 HydrophobicContact CD1-CG1 4.45Å; F1621-I1625 HydrophobicContact CE1-CD1 3.38Å; F1621-I1625 HydrophobicContact CE1-CG1 4.25Å; F1621-I1625 HydrophobicContact CG-CD1 4.26Å; F1621-I1625 HydrophobicContact CZ-CD1 3.94Å; F1621-I1625 HydrophobicContact CZ-CG1 4.37Å; F1621-I1625 WeakPolarHBondContact O-CG1 3.36Å; F1621-I1625 PolarHBondContact O-N 3.21Å; N1622-I1625 PolarHBondContact O-N 2.89Å; E1623-I1625 VanDerWaalsContact C-N 3.35Å; E1623-I1625 PolarHBondContact O-N 3.5Å; I1625-K1627 VanDerWaalsContact C-N 3.34Å; I1625-K1627 PolarHBondContact O-N 3.11Å; I1625-A1628 PolarHBondContact O-N 3.39Å; I1625-S1629 PolarHBondContact O-N 3.46Å; I1625-I1630 HydrophobicContact CG2-CB 3.75Å; I1625-I1630 HydrophobicContact CG2-CG2 3.94Å; I1625-I1630 PolarHBondContact O-N 2.84Å; I1625-I1630 VanDerWaalsContact O-N 3.17Å |
| 1626 | L | 73.4 | Confident | 73.7 | Confident | 133 Ų | 133 | 62.8 Ų | 62.8 | 70% | 0.696 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -62.6 | -43.3 | 179.1 | -71.7 | 171 | 0 | 0 | 0 | 111.2 | N1622 E1623 S1629 | N1622-L1626 WeakPolarHBondContact O-CG 3.37Å; N1622-L1626 PolarHBondContact O-N 2.77Å; E1623-L1626 PolarHBondContact O-N 3.31Å; L1626-S1629 PolarHBondContact O-N 3.04Å; L1626-S1629 VanDerWaalsContact O-N 3.14Å |
| 1627 | K | 71.3 | Confident | 74.7 | Confident | 57 Ų | 57 | 62.6 Ų | 62.6 | 25% | 0.248 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -70 | -32.1 | 177.9 | -70.4 | 172 | 162 | 178.6 | 0 | 112.9 | N1614 I1615 A1618 E1623 A1624 I1625 S1629 | N1614-K1627 HydrophobicContact CB-CD 4.28Å; N1614-K1627 WeakPolarHBondContact O-CD 3.41Å; N1614-K1627 VanDerWaalsContact O-CE 3.26Å; N1614-K1627 WeakPolarHBondContact O-CE 3.17Å; N1614-K1627 PolarHBondContact O-NZ 2.76Å; I1615-K1627 HydrophobicContact CG1-CB 3.71Å; A1618-K1627 HydrophobicContact CB-CD 4.17Å; E1623-K1627 HydrophobicContact CG-CD 4.14Å; E1623-K1627 WeakPolarHBondContact O-CB 3.4Å; E1623-K1627 WeakPolarHBondContact O-CG 3.03Å; E1623-K1627 PolarHBondContact O-N 3.1Å; E1623-K1627 VanDerWaalsContact OE1-CE 3.3Å; E1623-K1627 WeakPolarHBondContact OE1-CE 3.37Å; E1623-K1627 IonicContact OE1-NZ 2.72Å; E1623-K1627 PolarHBondContact OE1-NZ 3.48Å; A1624-K1627 PolarHBondContact O-N 2.66Å; I1625-K1627 VanDerWaalsContact C-N 3.34Å; I1625-K1627 PolarHBondContact O-N 3.11Å; K1627-S1629 PolarHBondContact O-N 2.7Å; K1627-S1629 VanDerWaalsContact O-N 3.13Å |
| 1628 | A | 71.8 | Confident | 75.3 | Confident | 3 Ų | 3 | 57.8 Ų | 57.8 | 3% | 0.025 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | 6.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | I1499 P1503 I1615 A1624 I1625 I1630 | I1499-A1628 HydrophobicContact CD1-CB 3.83Å; I1499-A1628 HydrophobicContact CG1-CB 3.84Å; P1503-A1628 HydrophobicContact CB-CB 4.23Å; I1615-A1628 HydrophobicContact CD1-CB 4.46Å; A1624-A1628 WeakPolarHBondContact O-CB 3.46Å; A1624-A1628 PolarHBondContact O-N 3.05Å; I1625-A1628 PolarHBondContact O-N 3.39Å; A1628-I1630 VanDerWaalsContact C-N 3.32Å; A1628-I1630 HydrophobicContact CB-CD1 4.27Å; A1628-I1630 HydrophobicContact CB-CG1 4.28Å; A1628-I1630 PolarHBondContact O-N 3.28Å |
| 1629 | S | 71.8 | Confident | 76.1 | Confident | 25 Ų | 25 | 59.1 Ų | 59.1 | 18% | 0.175 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.6 | 36.8 | 177.7 | -66.7 | 0 | 0 | 0 | 0 | 113.7 | N1573 W1576 I1625 L1626 K1627 | N1573-S1629 VanDerWaalsContact CB-O 3.23Å; N1573-S1629 WeakPolarHBondContact CB-O 3.45Å; N1573-S1629 PolarHBondContact N-O 2.91Å; W1576-S1629 PolarHBondContact NE1-OG 3.04Å; I1625-S1629 PolarHBondContact O-N 3.46Å; L1626-S1629 PolarHBondContact O-N 3.04Å; L1626-S1629 VanDerWaalsContact O-N 3.14Å; K1627-S1629 PolarHBondContact O-N 2.7Å; K1627-S1629 VanDerWaalsContact O-N 3.13Å |
| 1630 | I | 81 | Confident | 76.6 | Confident | 5 Ų | 5 | 59.1 Ų | 59.1 | 3% | 0.026 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 119.7 | 175.8 | -60.4 | 177.4 | 0 | 0 | 0 | 109.4 | I1499 F1506 L1507 L1565 Y1569 I1625 A1628 | I1499-I1630 HydrophobicContact CD1-CD1 4.05Å; F1506-I1630 HydrophobicContact CD1-CD1 4.18Å; F1506-I1630 HydrophobicContact CE1-CD1 4.33Å; L1507-I1630 HydrophobicContact CD1-CD1 4.44Å; L1507-I1630 HydrophobicContact CD1-CG1 4.02Å; L1565-I1630 HydrophobicContact CD1-CG2 4.4Å; Y1569-I1630 HydrophobicContact CD2-CG2 3.6Å; Y1569-I1630 HydrophobicContact CE2-CG2 3.7Å; I1625-I1630 HydrophobicContact CG2-CB 3.75Å; I1625-I1630 HydrophobicContact CG2-CG2 3.94Å; I1625-I1630 PolarHBondContact O-N 2.84Å; I1625-I1630 VanDerWaalsContact O-N 3.17Å; A1628-I1630 VanDerWaalsContact C-N 3.32Å; A1628-I1630 HydrophobicContact CB-CD1 4.27Å; A1628-I1630 HydrophobicContact CB-CG1 4.28Å; A1628-I1630 PolarHBondContact O-N 3.28Å |
| 1631 | E | 82.4 | Confident | 76.9 | Confident | 48 Ų | 48 | 61.6 Ų | 61.6 | 22% | 0.224 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 130.2 | 173.5 | -67.6 | 179.1 | -160.6 | 0 | 0 | 110.5 | K1570 Q1571 N1573 K1574 | K1570-E1631 HydrophobicContact CB-CB 4.34Å; K1570-E1631 VanDerWaalsContact CB-O 3.27Å; K1570-E1631 WeakPolarHBondContact CB-O 3.45Å; K1570-E1631 HydrophobicContact CD-CB 4.42Å; K1570-E1631 PolarHBondContact N-O 2.94Å; K1570-E1631 IonicContact NZ-OE2 3.61Å; Q1571-E1631 HydrophobicContact CG-CB 4.18Å; Q1571-E1631 PolarHBondContact N-O 2.98Å; Q1571-E1631 PolarHBondContact NE2-OE2 2.7Å; Q1571-E1631 WeakPolarHBondContact O-CB 3.19Å; Q1571-E1631 PolarHBondContact O-N 2.93Å; N1573-E1631 WeakPolarHBondContact CA-OE1 3.34Å; K1574-E1631 PolarHBondContact N-OE1 3Å |
| 1632 | C | 83 | Confident | 77.1 | Confident | 48 Ų | 48 | 61.7 Ų | 61.7 | 32% | 0.324 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 151.9 | 173.4 | -64.1 | 0 | 0 | 0 | 0 | 110.8 | L1565 F1568 | L1565-C1632 WeakPolarHBondContact CD1-SG 3.41Å; F1568-C1632 HydrophobicContact CB-CB 4.19Å; F1568-C1632 CarbonylContact O-C 3.52Å; F1568-C1632 VanDerWaalsContact O-CA 3.25Å; F1568-C1632 WeakPolarHBondContact O-CA 3.43Å |
| 1633 | Y | 81.8 | Confident | 77.1 | Confident | 53 Ų | 53 | 60.7 Ų | 60.7 | 21% | 0.208 | 31% | 0.313 | C | S | . | . | trans | -71.9 | 138 | 167.5 | -67.9 | -77 | 0 | 0 | 0 | 110 | F1568 K1570 L1638 P1639 | F1568-Y1633 WeakPolarHBondContact CD1-O 3.02Å; F1568-Y1633 WeakPolarHBondContact O-CD2 3.27Å; F1568-Y1633 PolarHBondContact O-N 2.72Å; K1570-Y1633 HydrophobicContact CB-CD2 3.84Å; K1570-Y1633 HydrophobicContact CB-CE1 4.47Å; K1570-Y1633 HydrophobicContact CB-CE2 3.65Å; K1570-Y1633 HydrophobicContact CB-CG 4.33Å; K1570-Y1633 HydrophobicContact CD-CD1 4.25Å; K1570-Y1633 HydrophobicContact CD-CE1 3.96Å; K1570-Y1633 HydrophobicContact CG-CD1 4.39Å; K1570-Y1633 HydrophobicContact CG-CD2 4.26Å; K1570-Y1633 HydrophobicContact CG-CE1 3.88Å; K1570-Y1633 HydrophobicContact CG-CE2 3.73Å; Y1633-L1638 HydrophobicContact CD2-CD1 4.01Å; Y1633-L1638 HydrophobicContact CG-CD1 4.13Å; Y1633-P1639 HydrophobicContact CD1-CG 4.36Å; Y1633-P1639 HydrophobicContact CE1-CG 3.8Å; Y1633-P1639 HydrophobicContact CE2-CG 4.21Å | ||
| 1634 | N | 77.4 | Confident | 77.2 | Confident | 114 Ų | 114 | 62 Ų | 62 | 61% | 0.61 | 32% | 0.321 | S | S | * | . | trans | -67.4 | 153.9 | 163.2 | -64.1 | -17.8 | 0 | 0 | 0 | 109.3 | D1636 T1637 L1638 | N1634-D1636 PolarHBondContact O-N 2.89Å; N1634-D1636 VanDerWaalsContact O-N 3.1Å; N1634-T1637 WeakPolarHBondContact CA-OG1 3.46Å; N1634-T1637 HydrophobicContact CB-CG2 4.33Å; N1634-T1637 WeakPolarHBondContact CB-OG1 3.37Å; N1634-T1637 PolarHBondContact N-OG1 3.5Å; N1634-T1637 CarbonylContact O-C 3.55Å; N1634-T1637 PolarHBondContact O-N 3.13Å; N1634-T1637 PolarHBondContact O-OG1 3.29Å; N1634-L1638 PolarHBondContact O-N 3.44Å | ||
| 1635 | T | 70.3 | Confident | 77.3 | Confident | 94 Ų | 94 | 62.1 Ų | 62.1 | 58% | 0.577 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -48 | -41.5 | 178.3 | 48.9 | 0 | 0 | 0 | 0 | 112.5 | F1568 | F1568-T1635 HydrophobicContact CE1-CG2 4.16Å; F1568-T1635 HydrophobicContact CZ-CG2 4.21Å |
| 1636 | D | 73.5 | Confident | 77.2 | Confident | 147 Ų | 147 | 62.6 Ų | 62.6 | 79% | 0.786 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -80.1 | -25 | -175.2 | -52 | -15.2 | 0 | 0 | 0 | 112.3 | N1634 | N1634-D1636 PolarHBondContact O-N 2.89Å; N1634-D1636 VanDerWaalsContact O-N 3.1Å |
| 1637 | T | 78.8 | Confident | 77.2 | Confident | 82 Ų | 82 | 59.9 Ų | 59.9 | 50% | 0.503 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -96.4 | 1.2 | -179.2 | 62.6 | 0 | 0 | 0 | 0 | 113.4 | N1634 P1639 | N1634-T1637 WeakPolarHBondContact CA-OG1 3.46Å; N1634-T1637 HydrophobicContact CB-CG2 4.33Å; N1634-T1637 WeakPolarHBondContact CB-OG1 3.37Å; N1634-T1637 PolarHBondContact N-OG1 3.5Å; N1634-T1637 CarbonylContact O-C 3.55Å; N1634-T1637 PolarHBondContact O-N 3.13Å; N1634-T1637 PolarHBondContact O-OG1 3.29Å; T1637-P1639 WeakPolarHBondContact O-CD 3.31Å |
| 1638 | L | 78.9 | Confident | 77.5 | Confident | 8 Ų | 8 | 61.3 Ų | 61.3 | 4% | 0.042 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -64.5 | 123.8 | -178.9 | -169.9 | 72.6 | 0 | 0 | 0 | 109.6 | R1567 F1568 Y1633 N1634 K1640 R1642 Q1643 | R1567-L1638 HydrophobicContact CG-CD2 4.33Å; F1568-L1638 HydrophobicContact CD1-CD1 3.9Å; F1568-L1638 HydrophobicContact CD1-CD2 4.42Å; F1568-L1638 HydrophobicContact CE1-CD1 4.36Å; F1568-L1638 HydrophobicContact CE1-CD2 4.08Å; Y1633-L1638 HydrophobicContact CD2-CD1 4.01Å; Y1633-L1638 HydrophobicContact CG-CD1 4.13Å; N1634-L1638 PolarHBondContact O-N 3.44Å; L1638-K1640 PolarHBondContact O-N 2.83Å; L1638-R1642 HydrophobicContact CD1-CB 4.18Å; L1638-R1642 HydrophobicContact CD2-CB 4.32Å; L1638-R1642 HydrophobicContact CG-CB 4.07Å; L1638-Q1643 HydrophobicContact CB-CG 4.17Å; L1638-Q1643 HydrophobicContact CD2-CG 3.78Å; L1638-Q1643 HydrophobicContact CG-CG 4.1Å; L1638-Q1643 PolarHBondContact O-NE2 3.07Å |
| 1639 | P | 82.3 | Confident | 77.5 | Confident | 31 Ų | 31 | 61.9 Ų | 61.9 | 20% | 0.201 | 32% | 0.32 | C | S | . | . | trans | -56.8 | 141.1 | -178.5 | -26.9 | 34.6 | 0 | 0 | 0 | 112.8 | Y1633 T1637 H1641 R1642 Q1643 | Y1633-P1639 HydrophobicContact CD1-CG 4.36Å; Y1633-P1639 HydrophobicContact CE1-CG 3.8Å; Y1633-P1639 HydrophobicContact CE2-CG 4.21Å; T1637-P1639 WeakPolarHBondContact O-CD 3.31Å; P1639-H1641 VanDerWaalsContact CB-CE1 3.4Å; P1639-H1641 WeakPolarHBondContact CB-CE1 3.43Å; P1639-H1641 WeakPolarHBondContact CB-ND1 3.45Å; P1639-H1641 PolarHBondContact O-N 3.36Å; P1639-H1641 VanDerWaalsContact O-N 3.15Å; P1639-R1642 HydrophobicContact CB-CG 4.43Å; P1639-R1642 WeakPolarHBondContact O-CA 3.32Å; P1639-R1642 WeakPolarHBondContact O-CB 3.48Å; P1639-R1642 PolarHBondContact O-N 2.89Å; P1639-Q1643 PolarHBondContact O-N 2.79Å; P1639-Q1643 VanDerWaalsContact O-N 3.11Å | ||
| 1640 | K | 78.5 | Confident | 77.6 | Confident | 168 Ų | 168 | 62.3 Ų | 62.3 | 73% | 0.73 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -51.7 | -41.2 | -179 | -72 | -174.8 | 178.3 | -180 | 0 | 113.3 | L1638 R1642 Q1643 L1644 | L1638-K1640 PolarHBondContact O-N 2.83Å; K1640-R1642 PolarHBondContact O-N 2.84Å; K1640-Q1643 PolarHBondContact O-N 2.9Å; K1640-L1644 PolarHBondContact O-N 3.36Å; K1640-L1644 VanDerWaalsContact O-N 3.1Å |
| 1641 | H | 80.3 | Confident | 77 | Confident | 108 Ų | 108 | 69.1 Ų | 69.1 | 50% | 0.5 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59.6 | -31.6 | 177.9 | 73.9 | -92.7 | 0 | 0 | 0 | 112.4 | P1639 Y1645 | P1639-H1641 VanDerWaalsContact CB-CE1 3.4Å; P1639-H1641 WeakPolarHBondContact CB-CE1 3.43Å; P1639-H1641 WeakPolarHBondContact CB-ND1 3.45Å; P1639-H1641 PolarHBondContact O-N 3.36Å; P1639-H1641 VanDerWaalsContact O-N 3.15Å; H1641-Y1645 WeakPolarHBondContact O-CB 3.47Å; H1641-Y1645 PolarHBondContact O-N 3.38Å; H1641-Y1645 VanDerWaalsContact O-N 3.15Å |
| 1642 | R | 79.2 | Confident | 75.8 | Confident | 5 Ų | 5 | 72.9 Ų | 72.9 | 2% | 0.019 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -82.4 | -33.7 | 176.5 | -61.5 | -162.5 | 168.1 | -150.5 | 0.7 | 113.6 | N1514 Y1518 R1567 Y1569 L1638 P1639 K1640 L1644 | N1514-R1642 PolarHBondContact ND2-NH1 3.14Å; N1514-R1642 PolarHBondContact OD1-NH2 3.27Å; Y1518-R1642 HydrophobicContact CD1-CB 4.49Å; Y1518-R1642 HydrophobicContact CD1-CG 3.9Å; Y1518-R1642 HydrophobicContact CE1-CB 3.84Å; Y1518-R1642 HydrophobicContact CE1-CG 3.69Å; R1567-R1642 PolarHBondContact O-NH1 2.81Å; Y1569-R1642 PolarHBondContact O-NH1 3.31Å; L1638-R1642 HydrophobicContact CD1-CB 4.18Å; L1638-R1642 HydrophobicContact CD2-CB 4.32Å; L1638-R1642 HydrophobicContact CG-CB 4.07Å; P1639-R1642 HydrophobicContact CB-CG 4.43Å; P1639-R1642 WeakPolarHBondContact O-CA 3.32Å; P1639-R1642 WeakPolarHBondContact O-CB 3.48Å; P1639-R1642 PolarHBondContact O-N 2.89Å; K1640-R1642 PolarHBondContact O-N 2.84Å; R1642-L1644 VanDerWaalsContact C-N 3.28Å; R1642-L1644 PolarHBondContact O-N 3.43Å |
| 1643 | Q | 74.9 | Confident | 74.4 | Confident | 76 Ų | 76 | 72.5 Ų | 72.5 | 36% | 0.355 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.4 | -40 | 174.8 | -69.8 | 177.4 | -4.4 | 0 | 0 | 111.3 | L1638 P1639 K1640 | L1638-Q1643 HydrophobicContact CB-CG 4.17Å; L1638-Q1643 HydrophobicContact CD2-CG 3.78Å; L1638-Q1643 HydrophobicContact CG-CG 4.1Å; L1638-Q1643 PolarHBondContact O-NE2 3.07Å; P1639-Q1643 PolarHBondContact O-N 2.79Å; P1639-Q1643 VanDerWaalsContact O-N 3.11Å; K1640-Q1643 PolarHBondContact O-N 2.9Å |
| 1644 | L | 75.5 | Confident | 73 | Confident | 89 Ų | 89 | 75.4 Ų | 75.4 | 47% | 0.466 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -87.2 | -25 | -178.2 | -65.7 | 172.5 | 0 | 0 | 0 | 114 | K1640 R1642 W1646 N1647 E1648 | K1640-L1644 PolarHBondContact O-N 3.36Å; K1640-L1644 VanDerWaalsContact O-N 3.1Å; R1642-L1644 VanDerWaalsContact C-N 3.28Å; R1642-L1644 PolarHBondContact O-N 3.43Å; L1644-W1646 PolarHBondContact O-N 2.97Å; L1644-N1647 WeakPolarHBondContact O-CB 3.47Å; L1644-N1647 PolarHBondContact O-N 2.98Å; L1644-E1648 PolarHBondContact O-N 3.28Å |
| 1645 | Y | 80 | Confident | 71.7 | Confident | 3 Ų | 3 | 76.6 Ų | 76.6 | 1% | 0.012 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -43.8 | -56.8 | -174.4 | 176 | -95.5 | 0 | 0 | 0 | 114.5 | L1517 Y1518 W1523 H1641 N1647 E1648 L1649 | L1517-Y1645 WeakPolarHBondContact O-CE2 3.36Å; L1517-Y1645 PolarHBondContact O-OH 3.14Å; Y1518-Y1645 HydrophobicContact CD1-CD1 4.12Å; Y1518-Y1645 AromaticContact CD1-CD2 3.67Å; Y1518-Y1645 HydrophobicContact CD1-CD2 3.67Å; Y1518-Y1645 HydrophobicContact CD1-CE2 4.07Å; Y1518-Y1645 AromaticContact CD1-CG 3.7Å; Y1518-Y1645 HydrophobicContact CD1-CG 3.7Å; Y1518-Y1645 AromaticContact CE1-CD1 3.59Å; Y1518-Y1645 HydrophobicContact CE1-CD1 3.59Å; Y1518-Y1645 AromaticContact CE1-CD2 3.92Å; Y1518-Y1645 HydrophobicContact CE1-CD2 3.92Å; Y1518-Y1645 HydrophobicContact CE1-CE1 4.25Å; Y1518-Y1645 HydrophobicContact CE1-CE2 4.49Å; Y1518-Y1645 AromaticContact CE1-CG 3.42Å; Y1518-Y1645 HydrophobicContact CE1-CG 3.42Å; Y1518-Y1645 VanDerWaalsContact CE1-CG 3.42Å; W1523-Y1645 AromaticContact CD1-CE2 3.92Å; W1523-Y1645 HydrophobicContact CZ2-CD2 4.19Å; W1523-Y1645 HydrophobicContact CZ2-CE2 4.47Å; W1523-Y1645 AromaticContact NE1-CD2 3.92Å; W1523-Y1645 AromaticContact NE1-CE2 3.37Å; H1641-Y1645 WeakPolarHBondContact O-CB 3.47Å; H1641-Y1645 PolarHBondContact O-N 3.38Å; H1641-Y1645 VanDerWaalsContact O-N 3.15Å; Y1645-N1647 PolarHBondContact O-N 3.03Å; Y1645-E1648 PolarHBondContact O-N 3.19Å; Y1645-L1649 HydrophobicContact CD1-CD1 4.07Å; Y1645-L1649 HydrophobicContact CD2-CD1 3.88Å; Y1645-L1649 HydrophobicContact CE1-CD1 3.58Å; Y1645-L1649 HydrophobicContact CE2-CD1 3.4Å; Y1645-L1649 HydrophobicContact CG-CD1 4.19Å; Y1645-L1649 PolarHBondContact O-N 3.23Å; Y1645-L1649 WeakPolarHBondContact OH-CD1 3.25Å |
| 1646 | W | 75.2 | Confident | 70.6 | Confident | 18 Ų | 18 | 81 Ų | 81 | 7% | 0.068 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -66.3 | -39.4 | -177.6 | -67.9 | 107.6 | 0 | 0 | 0 | 111.8 | Y1518 F1531 V1532 L1644 E1648 L1649 F1650 | Y1518-W1646 PolarHBondContact OH-NE1 2.67Å; F1531-W1646 AromaticContact CD1-CH2 3.97Å; F1531-W1646 HydrophobicContact CD1-CH2 3.97Å; F1531-W1646 AromaticContact CE1-CH2 3.88Å; F1531-W1646 HydrophobicContact CE1-CH2 3.88Å; V1532-W1646 HydrophobicContact CG2-CZ3 3.95Å; L1644-W1646 PolarHBondContact O-N 2.97Å; W1646-E1648 VanDerWaalsContact C-N 3.33Å; W1646-E1648 PolarHBondContact O-N 3.38Å; W1646-L1649 PolarHBondContact O-N 2.96Å; W1646-F1650 HydrophobicContact CB-CD2 4.19Å; W1646-F1650 HydrophobicContact CB-CE2 3.94Å; W1646-F1650 HydrophobicContact CE3-CE2 4.25Å; W1646-F1650 HydrophobicContact CE3-CZ 4.22Å; W1646-F1650 WeakPolarHBondContact O-CB 3.45Å; W1646-F1650 WeakPolarHBondContact O-CD2 3.5Å; W1646-F1650 VanDerWaalsContact O-CG 3.28Å; W1646-F1650 WeakPolarHBondContact O-CG 3.31Å; W1646-F1650 PolarHBondContact O-N 3.49Å |
| 1647 | N | 74.2 | Confident | 68.9 | Low | 76 Ų | 76 | 85.1 Ų | 85.1 | 41% | 0.406 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.3 | -40.2 | 177 | -68.7 | -22.3 | 0 | 0 | 0 | 111.6 | L1644 Y1645 K1651 | L1644-N1647 WeakPolarHBondContact O-CB 3.47Å; L1644-N1647 PolarHBondContact O-N 2.98Å; Y1645-N1647 PolarHBondContact O-N 3.03Å; N1647-K1651 WeakPolarHBondContact O-CB 3.43Å; N1647-K1651 WeakPolarHBondContact O-CG 3.46Å; N1647-K1651 PolarHBondContact O-N 3.38Å |
| 1648 | E | 76.7 | Confident | 68.4 | Low | 86 Ų | 86 | 85.3 Ų | 85.3 | 40% | 0.402 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -67.1 | -44.8 | 176.9 | -72.5 | -176.9 | 178 | 0 | 0 | 112.1 | W1523 L1644 Y1645 W1646 K1651 R1652 | W1523-E1648 WeakPolarHBondContact CH2-OE2 3.42Å; L1644-E1648 PolarHBondContact O-N 3.28Å; Y1645-E1648 PolarHBondContact O-N 3.19Å; W1646-E1648 VanDerWaalsContact C-N 3.33Å; W1646-E1648 PolarHBondContact O-N 3.38Å; E1648-K1651 PolarHBondContact O-N 3.23Å; E1648-R1652 PolarHBondContact O-N 3.11Å |
| 1649 | L | 72.8 | Confident | 67.8 | Low | 15 Ų | 15 | 89.3 Ų | 89.3 | 8% | 0.079 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -64.7 | -42.9 | 176.4 | -99.7 | 126.1 | 0 | 0 | 0 | 112.5 | W1523 T1528 V1532 Y1645 W1646 K1651 R1652 D1653 | W1523-L1649 HydrophobicContact CG-CD1 4.47Å; T1528-L1649 HydrophobicContact CG2-CD2 3.67Å; V1532-L1649 HydrophobicContact CG2-CB 4.48Å; V1532-L1649 HydrophobicContact CG2-CD2 3.71Å; Y1645-L1649 HydrophobicContact CD1-CD1 4.07Å; Y1645-L1649 HydrophobicContact CD2-CD1 3.88Å; Y1645-L1649 HydrophobicContact CE1-CD1 3.58Å; Y1645-L1649 HydrophobicContact CE2-CD1 3.4Å; Y1645-L1649 HydrophobicContact CG-CD1 4.19Å; Y1645-L1649 PolarHBondContact O-N 3.23Å; Y1645-L1649 WeakPolarHBondContact OH-CD1 3.25Å; W1646-L1649 PolarHBondContact O-N 2.96Å; L1649-K1651 VanDerWaalsContact C-N 3.35Å; L1649-K1651 PolarHBondContact O-N 3.35Å; L1649-R1652 PolarHBondContact O-N 3.35Å; L1649-D1653 PolarHBondContact O-N 3.4Å |
| 1650 | F | 72.5 | Confident | 67 | Low | 35 Ų | 35 | 92.6 Ų | 92.6 | 15% | 0.154 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -65.9 | -35.8 | 176.5 | -71.2 | -49.5 | 0 | 0 | 0 | 112.7 | V1532 C1535 K1536 T1542 W1646 | V1532-F1650 HydrophobicContact CG1-CD1 3.67Å; V1532-F1650 HydrophobicContact CG1-CE1 3.46Å; V1532-F1650 VanDerWaalsContact CG1-CE1 3.46Å; V1532-F1650 HydrophobicContact CG1-CZ 4.42Å; C1535-F1650 HydrophobicContact CB-CZ 4.4Å; K1536-F1650 HydrophobicContact CD-CD1 4.35Å; K1536-F1650 HydrophobicContact CD-CE1 4.24Å; K1536-F1650 HydrophobicContact CG-CD1 4.06Å; K1536-F1650 HydrophobicContact CG-CE1 3.49Å; K1536-F1650 VanDerWaalsContact CG-CE1 3.49Å; K1536-F1650 HydrophobicContact CG-CZ 4.4Å; T1542-F1650 HydrophobicContact CG2-CE2 3.8Å; T1542-F1650 HydrophobicContact CG2-CZ 3.98Å; W1646-F1650 HydrophobicContact CB-CD2 4.19Å; W1646-F1650 HydrophobicContact CB-CE2 3.94Å; W1646-F1650 HydrophobicContact CE3-CE2 4.25Å; W1646-F1650 HydrophobicContact CE3-CZ 4.22Å; W1646-F1650 WeakPolarHBondContact O-CB 3.45Å; W1646-F1650 WeakPolarHBondContact O-CD2 3.5Å; W1646-F1650 VanDerWaalsContact O-CG 3.28Å; W1646-F1650 WeakPolarHBondContact O-CG 3.31Å; W1646-F1650 PolarHBondContact O-N 3.49Å |
| 1651 | K | 68.4 | Low | 66.3 | Low | 148 Ų | 148 | 88.1 Ų | 88.1 | 64% | 0.643 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -67.8 | -39.8 | 175.7 | -79 | 177.3 | -179.7 | -174.3 | 0 | 112.5 | N1647 E1648 L1649 D1653 N1654 | N1647-K1651 WeakPolarHBondContact O-CB 3.43Å; N1647-K1651 WeakPolarHBondContact O-CG 3.46Å; N1647-K1651 PolarHBondContact O-N 3.38Å; E1648-K1651 PolarHBondContact O-N 3.23Å; L1649-K1651 VanDerWaalsContact C-N 3.35Å; L1649-K1651 PolarHBondContact O-N 3.35Å; K1651-D1653 PolarHBondContact O-N 3.24Å; K1651-N1654 WeakPolarHBondContact O-CB 3.46Å; K1651-N1654 PolarHBondContact O-N 3.26Å; K1651-N1654 VanDerWaalsContact O-N 3.14Å |
| 1652 | R | 58 | Low | 65.5 | Low | 126 Ų | 126 | 86.9 Ų | 86.9 | 48% | 0.475 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.4 | -37.1 | 179.5 | -82.8 | -175.6 | 174.4 | -173.8 | 1.3 | 113.5 | E1648 L1649 N1654 I1655 K1656 | E1648-R1652 PolarHBondContact O-N 3.11Å; L1649-R1652 PolarHBondContact O-N 3.35Å; R1652-N1654 PolarHBondContact O-N 3.19Å; R1652-I1655 PolarHBondContact O-N 3.29Å; R1652-K1656 PolarHBondContact O-N 3.06Å |
| 1653 | D | 52.8 | Low | 64.6 | Low | 40 Ų | 40 | 92.3 Ų | 92.3 | 21% | 0.214 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -59.7 | -26.2 | 174.3 | -105.2 | 3.4 | 0 | 0 | 0 | 112.6 | K1536 L1649 K1651 | K1536-D1653 IonicContact NZ-OD2 2.72Å; K1536-D1653 PolarHBondContact NZ-OD2 2.84Å; L1649-D1653 PolarHBondContact O-N 3.4Å; K1651-D1653 PolarHBondContact O-N 3.24Å |
| 1654 | N | 53 | Low | 63.8 | Low | 115 Ų | 115 | 93.5 Ų | 93.5 | 62% | 0.615 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -12.7 | 175.6 | -72.3 | -7.8 | 0 | 0 | 0 | 113.6 | K1651 R1652 | K1651-N1654 WeakPolarHBondContact O-CB 3.46Å; K1651-N1654 PolarHBondContact O-N 3.26Å; K1651-N1654 VanDerWaalsContact O-N 3.14Å; R1652-N1654 PolarHBondContact O-N 3.19Å |
| 1655 | I | 50.9 | Low | 62.9 | Low | 138 Ų | 138 | 93.8 Ų | 93.8 | 71% | 0.708 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -20.7 | 179.6 | -60.9 | 168.6 | 0 | 0 | 0 | 111.2 | R1652 | R1652-I1655 PolarHBondContact O-N 3.29Š|
| 1656 | K | 46.3 | Very low | 61.5 | Low | 188 Ų | 188 | 101.4 Ų | 101.4 | 82% | 0.817 | 47% | 0.466 | S | S | * | . | trans | -91.1 | -11.1 | 173.6 | -85.3 | -168.6 | 174.3 | -173.5 | 0 | 114.5 | R1652 | R1652-K1656 PolarHBondContact O-N 3.06Š| ||
| 1657 | K | 37.1 | Very low | 60.2 | Low | 232 Ų | 232 | 109 Ų | 109 | 100% | 1.009 | 50% | 0.502 | S | S | * | . | trans | -91.1 | 0 | 164.3 | -82.3 | -171.9 | 174.3 | -172.2 | 0 | 108.5 |
Retrieved 1,657 of 1,657 residues in 2481.3 ms
(Link to these results)