| 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 | 36.3 | Very low | 33.4 | Very low | 241 Ų | 241 | 143.5 Ų | 143.5 | 100% | 1.187 | 79% | 0.791 | S | S | * | * | 0 | 96.9 | 0 | -66.8 | -173.4 | -115.8 | 0 | 0 | 106.5 | |||||
| 2 | S | 32.8 | Very low | 33.2 | Very low | 130 Ų | 130 | 145.8 Ų | 145.8 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | 63.4 | 122.1 | 97.6 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 3 | G | 32 | Very low | 33.4 | Very low | 63 Ų | 63 | 147.3 Ų | 147.3 | 65% | 0.649 | 81% | 0.805 | S | S | * | * | cis | -176.7 | 143 | 3.9 | 0 | 0 | 0 | 0 | 0 | 105 | ||||
| 4 | V | 34.6 | Very low | 34.8 | Very low | 137 Ų | 137 | 144.6 Ų | 144.6 | 83% | 0.83 | 80% | 0.798 | S | S | * | * | 53.5 | 100.4 | 62.8 | -179.6 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 5 | V | 32.7 | Very low | 34.8 | Very low | 108 Ų | 108 | 141.9 Ų | 141.9 | 66% | 0.655 | 80% | 0.802 | S | S | * | * | 114.6 | 136.1 | 67.8 | 144.7 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 6 | R | 34.2 | Very low | 35 | Very low | 223 Ų | 223 | 144.4 Ų | 144.4 | 84% | 0.842 | 81% | 0.805 | S | S | * | * | trans | 52.5 | 141.6 | 156.6 | -63.5 | 166.1 | -176.3 | 170.5 | -1.6 | 116.8 | ||||
| 7 | T | 34.2 | Very low | 35.3 | Very low | 117 Ų | 117 | 141.1 Ų | 141.1 | 72% | 0.718 | 80% | 0.801 | S | S | * | * | 171.7 | 167.6 | 66 | -40.5 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 8 | L | 33.1 | Very low | 35.3 | Very low | 154 Ų | 154 | 140.9 Ų | 140.9 | 81% | 0.806 | 80% | 0.803 | S | S | * | * | trans | 100.7 | 130.8 | 156.6 | -58.2 | 176.3 | 0 | 0 | 0 | 116 | ||||
| 9 | S | 32.1 | Very low | 35.6 | Very low | 84 Ų | 84 | 145.9 Ų | 145.9 | 59% | 0.587 | 81% | 0.808 | S | S | * | * | cis | -172 | 144.7 | -7.6 | -138.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 10 | R | 33.5 | Very low | 35.7 | Very low | 221 Ų | 221 | 148.1 Ų | 148.1 | 83% | 0.834 | 81% | 0.812 | S | S | * | * | trans | 65.1 | 123.9 | 130.3 | -83.5 | -178.1 | 174.9 | -175.2 | -2.6 | 122 | ||||
| 11 | C | 32 | Very low | 36.2 | Very low | 101 Ų | 101 | 146.7 Ų | 146.7 | 68% | 0.682 | 81% | 0.81 | S | S | * | * | 81.4 | 107.3 | 126.6 | -65.3 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 12 | L | 31.2 | Very low | 36.6 | Very low | 171 Ų | 171 | 138.9 Ų | 138.9 | 90% | 0.895 | 79% | 0.791 | S | S | * | * | -172.1 | 105.3 | 108.7 | -93.1 | 151 | 0 | 0 | 0 | 110.1 | |||||
| 13 | L | 36 | Very low | 37.4 | Very low | 165 Ų | 165 | 137.4 Ų | 137.4 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | trans | -125.9 | 160.9 | 145.5 | -79.7 | 173.8 | 0 | 0 | 0 | 105 | ||||
| 14 | P | 53.1 | Low | 38.4 | Very low | 110 Ų | 110 | 138.6 Ų | 138.6 | 71% | 0.714 | 79% | 0.785 | S | S | * | * | cis | -134.5 | 173 | -4.1 | 30.8 | -9.6 | 0 | 0 | 0 | 113.1 | ||||
| 15 | A | 34.1 | Very low | 39.2 | Very low | 104 Ų | 104 | 140.4 Ų | 140.4 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | trans | -139.5 | 117.2 | 145.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 16 | E | 37.6 | Very low | 40 | Very low | 181 Ų | 181 | 142.7 Ų | 142.7 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | trans | -67.4 | 162.4 | 177.1 | -68.4 | 174.8 | 133.8 | 0 | 0 | 112.5 | ||||
| 17 | A | 41.3 | Very low | 40.9 | Very low | 89 Ų | 89 | 133.2 Ų | 133.2 | 74% | 0.736 | 76% | 0.757 | S | S | * | * | trans | 63 | 106.2 | 155.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 18 | T | 35.7 | Very low | 42.1 | Very low | 138 Ų | 138 | 130 Ų | 130 | 85% | 0.847 | 74% | 0.74 | S | S | * | * | -153.1 | 118.4 | 84.6 | 24.8 | 0 | 0 | 0 | 0 | 110.4 | E20 | T18-E20 PolarHBondContact O-N 3.41Š| |||
| 19 | R | 40.3 | Very low | 43.5 | Very low | 236 Ų | 236 | 132.3 Ų | 132.3 | 89% | 0.891 | 74% | 0.737 | S | S | * | * | trans | -70.6 | 114 | 155.1 | -81.8 | 179.3 | 173.8 | 173.5 | -0 | 106.7 | P21 | R19-P21 WeakPolarHBondContact O-CD 3.36Š| ||
| 20 | E | 37 | Very low | 45.1 | Very low | 189 Ų | 189 | 134.6 Ų | 134.6 | 88% | 0.883 | 74% | 0.739 | S | S | * | * | trans | -82 | 114.6 | 139.7 | -78.2 | -157.3 | 161.8 | 0 | 0 | 107.8 | T18 | T18-E20 PolarHBondContact O-N 3.41Š| ||
| 21 | P | 46.1 | Very low | 46.7 | Very low | 119 Ų | 119 | 132.2 Ų | 132.2 | 77% | 0.773 | 73% | 0.73 | S | S | * | * | trans | -93.5 | 117.8 | 177 | 31 | -21.2 | 0 | 0 | 0 | 109.3 | R19 | R19-P21 WeakPolarHBondContact O-CD 3.36Š| ||
| 22 | G | 45.4 | Very low | 48.7 | Very low | 76 Ų | 76 | 131.9 Ų | 131.9 | 78% | 0.784 | 72% | 0.721 | S | S | * | * | S | Bend | trans | 159.9 | -15 | 158.5 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||
| 23 | A | 48.7 | Very low | 50.8 | Low | 100 Ų | 100 | 126.2 Ų | 126.2 | 83% | 0.826 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -137.8 | 80.2 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 24 | S | 53 | Low | 53 | Low | 88 Ų | 88 | 122.3 Ų | 122.3 | 62% | 0.615 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -178 | -24.1 | 153.8 | 47.3 | 0 | 0 | 0 | 0 | 115.5 | S28 | S24-S28 PolarHBondContact O-N 3.46Å; S24-S28 VanDerWaalsContact O-N 3.11Å; S24-S28 PolarHBondContact O-OG 3.28Å |
| 25 | K | 51.3 | Low | 54.2 | Low | 175 Ų | 175 | 123.3 Ų | 123.3 | 76% | 0.761 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -74.4 | -28.7 | 179.2 | -80.1 | -173.8 | 175.9 | -179.7 | 0 | 114.3 | S28 R29 | K25-S28 PolarHBondContact O-OG 2.84Å; K25-S28 VanDerWaalsContact O-OG 3.11Å; K25-R29 PolarHBondContact O-N 3.06Å |
| 26 | Q | 49.9 | Very low | 56.6 | Low | 156 Ų | 156 | 123.1 Ų | 123.1 | 73% | 0.729 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -76.5 | -44.4 | 178 | -136.6 | 150.3 | -9.9 | 0 | 0 | 110.4 | S28 R29 E30 | Q26-S28 VanDerWaalsContact C-N 3.33Å; Q26-S28 PolarHBondContact O-N 3.36Å; Q26-R29 PolarHBondContact O-N 3.03Å; Q26-E30 PolarHBondContact O-N 3.35Å |
| 27 | G | 54.4 | Low | 58.8 | Low | 24 Ų | 24 | 124 Ų | 124 | 25% | 0.247 | 65% | 0.654 | C | S | . | * | H | α-helix | trans | -70.3 | -19.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115 | R31 | G27-R31 WeakPolarHBondContact O-CB 3.34Å; G27-R31 VanDerWaalsContact O-CG 3.24Å; G27-R31 WeakPolarHBondContact O-CG 3.2Å; G27-R31 PolarHBondContact O-N 3.43Å; G27-R31 PolarHBondContact O-NE 3.33Å |
| 28 | S | 58.6 | Low | 60.9 | Low | 50 Ų | 50 | 124.3 Ų | 124.3 | 35% | 0.35 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -77.9 | -45.1 | 169.8 | 70.7 | 0 | 0 | 0 | 0 | 111.3 | S24 K25 Q26 E30 R31 D32 | S24-S28 PolarHBondContact O-N 3.46Å; S24-S28 VanDerWaalsContact O-N 3.11Å; S24-S28 PolarHBondContact O-OG 3.28Å; K25-S28 PolarHBondContact O-OG 2.84Å; K25-S28 VanDerWaalsContact O-OG 3.11Å; Q26-S28 VanDerWaalsContact C-N 3.33Å; Q26-S28 PolarHBondContact O-N 3.36Å; S28-E30 PolarHBondContact O-N 3.28Å; S28-R31 PolarHBondContact O-N 3.45Å; S28-D32 PolarHBondContact O-N 2.86Å |
| 29 | R | 62 | Low | 63.2 | Low | 201 Ų | 201 | 120.4 Ų | 120.4 | 76% | 0.758 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -62.5 | -38.6 | 175 | -86.6 | -178.4 | 169.9 | 177.1 | -3.2 | 113.4 | K25 Q26 A33 | K25-R29 PolarHBondContact O-N 3.06Å; Q26-R29 PolarHBondContact O-N 3.03Å; R29-A33 VanDerWaalsContact O-CB 3.29Å; R29-A33 WeakPolarHBondContact O-CB 3.29Å; R29-A33 PolarHBondContact O-N 3.39Å |
| 30 | E | 66.5 | Low | 65.5 | Low | 133 Ų | 133 | 116.2 Ų | 116.2 | 62% | 0.621 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -67.3 | -40.3 | 173.6 | -87.1 | 179.5 | 147.3 | 0 | 0 | 112 | Q26 S28 A33 V34 | Q26-E30 PolarHBondContact O-N 3.35Å; S28-E30 PolarHBondContact O-N 3.28Å; E30-A33 PolarHBondContact O-N 3Å; E30-V34 WeakPolarHBondContact O-CB 3.32Å; E30-V34 WeakPolarHBondContact O-CG2 3.37Å; E30-V34 PolarHBondContact O-N 3.49Å |
| 31 | R | 67 | Low | 67.9 | Low | 171 Ų | 171 | 115.3 Ų | 115.3 | 65% | 0.645 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -62.7 | -42.5 | 174.6 | -83.6 | -177.1 | -87.4 | -167.6 | -5.7 | 112 | G27 S28 V34 Q35 | G27-R31 WeakPolarHBondContact O-CB 3.34Å; G27-R31 VanDerWaalsContact O-CG 3.24Å; G27-R31 WeakPolarHBondContact O-CG 3.2Å; G27-R31 PolarHBondContact O-N 3.43Å; G27-R31 PolarHBondContact O-NE 3.33Å; S28-R31 PolarHBondContact O-N 3.45Å; R31-V34 PolarHBondContact O-N 3.1Å; R31-Q35 WeakPolarHBondContact O-CB 3.46Å; R31-Q35 WeakPolarHBondContact O-CG 3.24Å; R31-Q35 PolarHBondContact O-N 3.06Å |
| 32 | D | 72.9 | Confident | 69.9 | Low | 94 Ų | 94 | 116.9 Ų | 116.9 | 50% | 0.503 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -65.4 | -41.4 | 176.5 | -63.3 | -24 | 0 | 0 | 0 | 111.3 | S28 Q35 E36 | S28-D32 PolarHBondContact O-N 2.86Å; D32-Q35 PolarHBondContact O-N 3.43Å; D32-E36 WeakPolarHBondContact O-CB 3.38Å; D32-E36 PolarHBondContact O-N 2.82Å |
| 33 | A | 76.1 | Confident | 72.1 | Confident | 52 Ų | 52 | 116.1 Ų | 116.1 | 43% | 0.43 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -67.5 | -35.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | R29 E30 R37 | R29-A33 VanDerWaalsContact O-CB 3.29Å; R29-A33 WeakPolarHBondContact O-CB 3.29Å; R29-A33 PolarHBondContact O-N 3.39Å; E30-A33 PolarHBondContact O-N 3Å; A33-R37 PolarHBondContact O-N 2.98Å |
| 34 | V | 81.1 | Confident | 74.2 | Confident | 82 Ų | 82 | 120.3 Ų | 120.3 | 50% | 0.497 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -69 | -44.7 | 173.5 | 171.6 | 0 | 0 | 0 | 0 | 110.4 | E30 R31 E36 R37 E38 | E30-V34 WeakPolarHBondContact O-CB 3.32Å; E30-V34 WeakPolarHBondContact O-CG2 3.37Å; E30-V34 PolarHBondContact O-N 3.49Å; R31-V34 PolarHBondContact O-N 3.1Å; V34-E36 VanDerWaalsContact C-N 3.33Å; V34-E36 PolarHBondContact O-N 2.95Å; V34-R37 PolarHBondContact O-N 2.99Å; V34-E38 PolarHBondContact O-N 2.73Å |
| 35 | Q | 80.1 | Confident | 75.9 | Confident | 131 Ų | 131 | 120.9 Ų | 120.9 | 61% | 0.612 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -61.1 | -39.9 | 174.4 | -79.9 | -172.7 | -7.4 | 0 | 0 | 112.3 | R31 D32 E38 A39 | R31-Q35 WeakPolarHBondContact O-CB 3.46Å; R31-Q35 WeakPolarHBondContact O-CG 3.24Å; R31-Q35 PolarHBondContact O-N 3.06Å; D32-Q35 PolarHBondContact O-N 3.43Å; Q35-E38 PolarHBondContact O-N 2.91Å; Q35-A39 VanDerWaalsContact O-CB 3.28Å; Q35-A39 WeakPolarHBondContact O-CB 3.27Å; Q35-A39 PolarHBondContact O-N 3.46Å |
| 36 | E | 83.4 | Confident | 77.7 | Confident | 101 Ų | 101 | 116.9 Ų | 116.9 | 47% | 0.472 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68.3 | -38.2 | 177.5 | -164.9 | -179.7 | 167.8 | 0 | 0 | 111.8 | D32 V34 A39 R40 | D32-E36 WeakPolarHBondContact O-CB 3.38Å; D32-E36 PolarHBondContact O-N 2.82Å; V34-E36 VanDerWaalsContact C-N 3.33Å; V34-E36 PolarHBondContact O-N 2.95Å; E36-A39 PolarHBondContact O-N 2.8Å; E36-R40 WeakPolarHBondContact O-CB 3.18Å; E36-R40 VanDerWaalsContact O-CG 3.27Å; E36-R40 WeakPolarHBondContact O-CG 3.43Å; E36-R40 PolarHBondContact O-N 3.01Å; E36-R40 IonicContact OE1-CZ 3.09Å; E36-R40 IonicContact OE1-NE 2.7Å; E36-R40 PolarHBondContact OE1-NE 3.36Å; E36-R40 IonicContact OE1-NH2 3.41Å; E36-R40 PolarHBondContact OE1-NH2 2.97Å |
| 37 | R | 84.7 | Confident | 79.5 | Confident | 200 Ų | 200 | 113.9 Ų | 113.9 | 76% | 0.755 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.3 | -43.5 | 171.8 | -84 | -177.7 | 174.9 | -178 | 0.1 | 112 | A33 V34 R40 R41 | A33-R37 PolarHBondContact O-N 2.98Å; V34-R37 PolarHBondContact O-N 2.99Å; R37-R40 PolarHBondContact O-N 3.14Å; R37-R41 WeakPolarHBondContact O-CB 3.21Å; R37-R41 PolarHBondContact O-N 3.31Å |
| 38 | E | 85.1 | Confident | 81.1 | Confident | 94 Ų | 94 | 115 Ų | 115 | 44% | 0.439 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.9 | -43.5 | 175.1 | -77 | -168.1 | -170.2 | 0 | 0 | 112.1 | V34 Q35 R40 R41 R42 | V34-E38 PolarHBondContact O-N 2.73Å; Q35-E38 PolarHBondContact O-N 2.91Å; E38-R40 PolarHBondContact O-N 2.46Å; E38-R41 PolarHBondContact O-N 3.48Å; E38-R42 WeakPolarHBondContact O-CG 3.32Å; E38-R42 PolarHBondContact O-N 2.78Å; E38-R42 IonicContact OE2-NH2 2.69Å; E38-R42 PolarHBondContact OE2-NH2 3Å |
| 39 | A | 83.6 | Confident | 82.4 | Confident | 56 Ų | 56 | 117.7 Ų | 117.7 | 46% | 0.463 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.7 | -43.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q35 E36 R41 R42 S43 | Q35-A39 VanDerWaalsContact O-CB 3.28Å; Q35-A39 WeakPolarHBondContact O-CB 3.27Å; Q35-A39 PolarHBondContact O-N 3.46Å; E36-A39 PolarHBondContact O-N 2.8Å; A39-R41 VanDerWaalsContact C-N 3.34Å; A39-R41 PolarHBondContact O-N 3.46Å; A39-R42 PolarHBondContact O-N 3.29Å; A39-S43 WeakPolarHBondContact O-CB 3.03Å; A39-S43 PolarHBondContact O-N 2.97Å |
| 40 | R | 87.8 | Confident | 83.4 | Confident | 148 Ų | 148 | 111.1 Ų | 111.1 | 56% | 0.558 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.4 | -38.1 | 174.5 | -73.6 | 176.1 | -173.2 | -159 | 4 | 112.1 | E36 R37 E38 R44 | E36-R40 WeakPolarHBondContact O-CB 3.18Å; E36-R40 VanDerWaalsContact O-CG 3.27Å; E36-R40 WeakPolarHBondContact O-CG 3.43Å; E36-R40 PolarHBondContact O-N 3.01Å; E36-R40 IonicContact OE1-CZ 3.09Å; E36-R40 IonicContact OE1-NE 2.7Å; E36-R40 PolarHBondContact OE1-NE 3.36Å; E36-R40 IonicContact OE1-NH2 3.41Å; E36-R40 PolarHBondContact OE1-NH2 2.97Å; R37-R40 PolarHBondContact O-N 3.14Å; E38-R40 PolarHBondContact O-N 2.46Å; R40-R44 WeakPolarHBondContact O-CG 3.47Å; R40-R44 PolarHBondContact O-N 3.35Å |
| 41 | R | 88.8 | Confident | 84.1 | Confident | 170 Ų | 170 | 106.5 Ų | 106.5 | 64% | 0.642 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.9 | -48.2 | 175 | -178.4 | -177.7 | 152.3 | -176.7 | -8 | 111.2 | R37 E38 A39 S43 R44 E45 | R37-R41 WeakPolarHBondContact O-CB 3.21Å; R37-R41 PolarHBondContact O-N 3.31Å; E38-R41 PolarHBondContact O-N 3.48Å; A39-R41 VanDerWaalsContact C-N 3.34Å; A39-R41 PolarHBondContact O-N 3.46Å; R41-S43 VanDerWaalsContact C-N 3.33Å; R41-S43 PolarHBondContact O-N 3.38Å; R41-R44 PolarHBondContact O-N 3.44Å; R41-E45 IonicContact CZ-OE1 3.61Å; R41-E45 IonicContact NE-OE1 2.73Å; R41-E45 PolarHBondContact NE-OE1 3.2Å; R41-E45 IonicContact NH2-OE1 3.74Å; R41-E45 PolarHBondContact NH2-OE1 3.47Å; R41-E45 WeakPolarHBondContact O-CG 3.48Å; R41-E45 PolarHBondContact O-N 2.97Å |
| 42 | R | 88.4 | Confident | 84.6 | Confident | 153 Ų | 153 | 106.9 Ų | 106.9 | 58% | 0.577 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.1 | -41.7 | 175.3 | -68.6 | -178.5 | -154.4 | 178.2 | 9 | 111.8 | E38 A39 R44 E45 I46 | E38-R42 WeakPolarHBondContact O-CG 3.32Å; E38-R42 PolarHBondContact O-N 2.78Å; E38-R42 IonicContact OE2-NH2 2.69Å; E38-R42 PolarHBondContact OE2-NH2 3Å; A39-R42 PolarHBondContact O-N 3.29Å; R42-R44 PolarHBondContact O-N 2.86Å; R42-E45 PolarHBondContact O-N 3.34Å; R42-I46 VanDerWaalsContact O-CG1 3.26Å; R42-I46 WeakPolarHBondContact O-CG1 3.33Å; R42-I46 PolarHBondContact O-N 2.93Å |
| 43 | S | 90.8 | Very high | 84.6 | Confident | 60 Ų | 60 | 106.9 Ų | 106.9 | 42% | 0.42 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.4 | -45 | 176 | -165.6 | 0 | 0 | 0 | 0 | 111.7 | A39 R41 E45 I46 D47 | A39-S43 WeakPolarHBondContact O-CB 3.03Å; A39-S43 PolarHBondContact O-N 2.97Å; R41-S43 VanDerWaalsContact C-N 3.33Å; R41-S43 PolarHBondContact O-N 3.38Å; S43-E45 VanDerWaalsContact C-N 3.34Å; S43-E45 PolarHBondContact O-N 3.03Å; S43-I46 PolarHBondContact O-N 3.13Å; S43-D47 WeakPolarHBondContact O-CB 3.4Å; S43-D47 PolarHBondContact O-N 2.99Å |
| 44 | R | 91.6 | Very high | 84.4 | Confident | 188 Ų | 188 | 112.3 Ų | 112.3 | 71% | 0.709 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.9 | -38.6 | 176.8 | -73.1 | 174.5 | -176.7 | -174.6 | 0.5 | 112.5 | R40 R41 R42 D47 A48 | R40-R44 WeakPolarHBondContact O-CG 3.47Å; R40-R44 PolarHBondContact O-N 3.35Å; R41-R44 PolarHBondContact O-N 3.44Å; R42-R44 PolarHBondContact O-N 2.86Å; R44-D47 PolarHBondContact O-N 2.85Å; R44-A48 VanDerWaalsContact O-CB 3.31Å; R44-A48 WeakPolarHBondContact O-CB 3.44Å; R44-A48 PolarHBondContact O-N 3.49Å |
| 45 | E | 90.4 | Very high | 83.9 | Confident | 100 Ų | 100 | 115.4 Ų | 115.4 | 47% | 0.467 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.7 | -43.5 | 175.5 | -72.6 | 171.2 | -170.1 | 0 | 0 | 111 | R41 R42 S43 A48 M49 | R41-E45 IonicContact CZ-OE1 3.61Å; R41-E45 IonicContact NE-OE1 2.73Å; R41-E45 PolarHBondContact NE-OE1 3.2Å; R41-E45 IonicContact NH2-OE1 3.74Å; R41-E45 PolarHBondContact NH2-OE1 3.47Å; R41-E45 WeakPolarHBondContact O-CG 3.48Å; R41-E45 PolarHBondContact O-N 2.97Å; R42-E45 PolarHBondContact O-N 3.34Å; S43-E45 VanDerWaalsContact C-N 3.34Å; S43-E45 PolarHBondContact O-N 3.03Å; E45-A48 PolarHBondContact O-N 3.33Å; E45-M49 WeakPolarHBondContact O-CB 3.22Å; E45-M49 PolarHBondContact O-N 3.36Å |
| 46 | I | 87.3 | Confident | 83.2 | Confident | 91 Ų | 91 | 111.7 Ų | 111.7 | 47% | 0.467 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.8 | -47.8 | 174.5 | -68.2 | 164.1 | 0 | 0 | 0 | 110.7 | R42 S43 A48 M49 L50 | R42-I46 VanDerWaalsContact O-CG1 3.26Å; R42-I46 WeakPolarHBondContact O-CG1 3.33Å; R42-I46 PolarHBondContact O-N 2.93Å; S43-I46 PolarHBondContact O-N 3.13Å; I46-A48 VanDerWaalsContact C-N 3.32Å; I46-A48 PolarHBondContact O-N 3.07Å; I46-M49 WeakPolarHBondContact O-CB 3.19Å; I46-M49 PolarHBondContact O-N 3.37Å; I46-M49 VanDerWaalsContact O-N 3.14Å; I46-L50 HydrophobicContact CG2-CD1 3.79Å; I46-L50 HydrophobicContact CG2-CG 4.2Å; I46-L50 WeakPolarHBondContact O-CB 3.31Å; I46-L50 VanDerWaalsContact O-CG 3.31Å; I46-L50 WeakPolarHBondContact O-CG 3.49Å; I46-L50 PolarHBondContact O-N 3.45Å |
| 47 | D | 89.5 | Confident | 82.1 | Confident | 92 Ų | 92 | 110 Ų | 110 | 49% | 0.492 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.4 | -39.3 | 179.2 | -73.2 | -32.4 | 0 | 0 | 0 | 111.9 | S43 R44 A51 | S43-D47 WeakPolarHBondContact O-CB 3.4Å; S43-D47 PolarHBondContact O-N 2.99Å; R44-D47 PolarHBondContact O-N 2.85Å; D47-A51 VanDerWaalsContact O-CB 3.22Å; D47-A51 WeakPolarHBondContact O-CB 3.33Å; D47-A51 PolarHBondContact O-N 3.2Å |
| 48 | A | 87.9 | Confident | 81 | Confident | 48 Ų | 48 | 110.4 Ų | 110.4 | 40% | 0.397 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.1 | -40.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | R44 E45 I46 A51 R52 | R44-A48 VanDerWaalsContact O-CB 3.31Å; R44-A48 WeakPolarHBondContact O-CB 3.44Å; R44-A48 PolarHBondContact O-N 3.49Å; E45-A48 PolarHBondContact O-N 3.33Å; I46-A48 VanDerWaalsContact C-N 3.32Å; I46-A48 PolarHBondContact O-N 3.07Å; A48-A51 PolarHBondContact O-N 2.84Å; A48-R52 WeakPolarHBondContact O-CG 3.44Å; A48-R52 PolarHBondContact O-N 3.35Å |
| 49 | M | 84.4 | Confident | 79.9 | Confident | 107 Ų | 107 | 115.5 Ų | 115.5 | 53% | 0.527 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.7 | -49.5 | 175.6 | -164.4 | 173.6 | 84.8 | 0 | 0 | 111.1 | E45 I46 A51 R52 E53 | E45-M49 WeakPolarHBondContact O-CB 3.22Å; E45-M49 PolarHBondContact O-N 3.36Å; I46-M49 WeakPolarHBondContact O-CB 3.19Å; I46-M49 PolarHBondContact O-N 3.37Å; I46-M49 VanDerWaalsContact O-N 3.14Å; M49-A51 VanDerWaalsContact C-N 3.29Å; M49-A51 PolarHBondContact O-N 3.37Å; M49-R52 WeakPolarHBondContact O-CB 2.98Å; M49-R52 PolarHBondContact O-N 3.21Å; M49-R52 VanDerWaalsContact O-N 3.09Å; M49-E53 WeakPolarHBondContact O-CG 3.35Å; M49-E53 PolarHBondContact O-N 3.05Å |
| 50 | L | 83.3 | Confident | 78.7 | Confident | 62 Ų | 62 | 114.2 Ų | 114.2 | 33% | 0.325 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.8 | -37.8 | 175.6 | -70.3 | 173.6 | 0 | 0 | 0 | 111.9 | I46 R54 | I46-L50 HydrophobicContact CG2-CD1 3.79Å; I46-L50 HydrophobicContact CG2-CG 4.2Å; I46-L50 WeakPolarHBondContact O-CB 3.31Å; I46-L50 VanDerWaalsContact O-CG 3.31Å; I46-L50 WeakPolarHBondContact O-CG 3.49Å; I46-L50 PolarHBondContact O-N 3.45Å; L50-R54 VanDerWaalsContact O-CB 3.26Å; L50-R54 WeakPolarHBondContact O-CB 3.49Å; L50-R54 WeakPolarHBondContact O-CG 3.49Å; L50-R54 PolarHBondContact O-N 2.88Å |
| 51 | A | 81.1 | Confident | 77.5 | Confident | 36 Ų | 36 | 109.1 Ų | 109.1 | 30% | 0.298 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.3 | -36.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | D47 A48 M49 R55 | D47-A51 VanDerWaalsContact O-CB 3.22Å; D47-A51 WeakPolarHBondContact O-CB 3.33Å; D47-A51 PolarHBondContact O-N 3.2Å; A48-A51 PolarHBondContact O-N 2.84Å; M49-A51 VanDerWaalsContact C-N 3.29Å; M49-A51 PolarHBondContact O-N 3.37Å; A51-R55 PolarHBondContact O-N 3.46Å; A51-R55 VanDerWaalsContact O-N 3.14Å; A51-R55 PolarHBondContact O-NE 3.03Å |
| 52 | R | 78.8 | Confident | 76.1 | Confident | 179 Ų | 179 | 104.2 Ų | 104.2 | 68% | 0.675 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -67.8 | -47.1 | 173.2 | -73.8 | 174.7 | -176.6 | -174 | 1.3 | 110.9 | A48 M49 R54 R55 A56 | A48-R52 WeakPolarHBondContact O-CG 3.44Å; A48-R52 PolarHBondContact O-N 3.35Å; M49-R52 WeakPolarHBondContact O-CB 2.98Å; M49-R52 PolarHBondContact O-N 3.21Å; M49-R52 VanDerWaalsContact O-N 3.09Å; R52-R54 PolarHBondContact O-N 2.94Å; R52-R55 PolarHBondContact O-N 3.26Å; R52-A56 PolarHBondContact O-N 3.39Å |
| 53 | E | 71.9 | Confident | 74.9 | Confident | 95 Ų | 95 | 97.3 Ų | 97.3 | 44% | 0.444 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -60.1 | -46 | 175.6 | -74.1 | 178.9 | -179 | 0 | 0 | 111.7 | M49 R55 A56 V57 | M49-E53 WeakPolarHBondContact O-CG 3.35Å; M49-E53 PolarHBondContact O-N 3.05Å; E53-R55 VanDerWaalsContact C-N 3.28Å; E53-R55 PolarHBondContact O-N 3.25Å; E53-A56 WeakPolarHBondContact O-CB 3.34Å; E53-A56 PolarHBondContact O-N 3.32Å; E53-A56 VanDerWaalsContact O-N 3.12Å; E53-V57 WeakPolarHBondContact O-CB 3.39Å; E53-V57 VanDerWaalsContact O-CG2 3.3Å; E53-V57 WeakPolarHBondContact O-CG2 3.25Å; E53-V57 PolarHBondContact O-N 2.85Å |
| 54 | R | 72.6 | Confident | 73.6 | Confident | 165 Ų | 165 | 95.1 Ų | 95.1 | 62% | 0.623 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -58.3 | -39.8 | 175.7 | -77.2 | 172.1 | -174.8 | -170.4 | 4.2 | 111.9 | L50 R52 R58 | L50-R54 VanDerWaalsContact O-CB 3.26Å; L50-R54 WeakPolarHBondContact O-CB 3.49Å; L50-R54 WeakPolarHBondContact O-CG 3.49Å; L50-R54 PolarHBondContact O-N 2.88Å; R52-R54 PolarHBondContact O-N 2.94Å; R54-R58 VanDerWaalsContact O-CB 3.31Å; R54-R58 WeakPolarHBondContact O-CB 3.39Å; R54-R58 WeakPolarHBondContact O-CG 3.49Å; R54-R58 PolarHBondContact O-N 3.19Å |
| 55 | R | 70.1 | Confident | 72.2 | Confident | 147 Ų | 147 | 86.1 Ų | 86.1 | 56% | 0.555 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -67.5 | -41.6 | 175.3 | -85.6 | -177.8 | -90.9 | 156.3 | -14.1 | 112.1 | A51 R52 E53 R58 R59 | A51-R55 PolarHBondContact O-N 3.46Å; A51-R55 VanDerWaalsContact O-N 3.14Å; A51-R55 PolarHBondContact O-NE 3.03Å; R52-R55 PolarHBondContact O-N 3.26Å; E53-R55 VanDerWaalsContact C-N 3.28Å; E53-R55 PolarHBondContact O-N 3.25Å; R55-R58 PolarHBondContact O-N 3.43Å; R55-R59 WeakPolarHBondContact O-CG 3.32Å; R55-R59 PolarHBondContact O-N 3.31Å |
| 56 | A | 65.1 | Low | 71 | Confident | 53 Ų | 53 | 81.6 Ų | 81.6 | 44% | 0.438 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.7 | -50.2 | 175 | 0 | 0 | 0 | 0 | 0 | 110.9 | R52 E53 R58 R59 L60 | R52-A56 PolarHBondContact O-N 3.39Å; E53-A56 WeakPolarHBondContact O-CB 3.34Å; E53-A56 PolarHBondContact O-N 3.32Å; E53-A56 VanDerWaalsContact O-N 3.12Å; A56-R58 VanDerWaalsContact C-N 3.33Å; A56-R58 PolarHBondContact O-N 3.45Å; A56-R59 PolarHBondContact O-N 3.41Å; A56-L60 PolarHBondContact O-N 3.4Å |
| 57 | V | 60.9 | Low | 69.7 | Low | 65 Ų | 65 | 77.8 Ų | 77.8 | 39% | 0.394 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.8 | -36.8 | 179.3 | 174.1 | 0 | 0 | 0 | 0 | 112.2 | E53 R59 L60 | E53-V57 WeakPolarHBondContact O-CB 3.39Å; E53-V57 VanDerWaalsContact O-CG2 3.3Å; E53-V57 WeakPolarHBondContact O-CG2 3.25Å; E53-V57 PolarHBondContact O-N 2.85Å; V57-R59 PolarHBondContact O-N 2.86Å; V57-L60 HydrophobicContact CG2-CD1 4.46Å; V57-L60 WeakPolarHBondContact O-CB 3.44Å; V57-L60 PolarHBondContact O-N 3.33Å; V57-L60 VanDerWaalsContact O-N 3.14Å |
| 58 | R | 62 | Low | 68 | Low | 209 Ų | 209 | 74 Ų | 74 | 79% | 0.789 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -62.9 | -28.4 | 175.2 | -81.5 | 175.9 | -172.3 | -167.7 | 3.1 | 113.1 | R54 R55 A56 | R54-R58 VanDerWaalsContact O-CB 3.31Å; R54-R58 WeakPolarHBondContact O-CB 3.39Å; R54-R58 WeakPolarHBondContact O-CG 3.49Å; R54-R58 PolarHBondContact O-N 3.19Å; R55-R58 PolarHBondContact O-N 3.43Å; A56-R58 VanDerWaalsContact C-N 3.33Å; A56-R58 PolarHBondContact O-N 3.45Å |
| 59 | R | 60.5 | Low | 66.3 | Low | 201 Ų | 201 | 74.1 Ų | 74.1 | 76% | 0.758 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -5.7 | 177.2 | -65.7 | 177.4 | -177.2 | -177.8 | -0.7 | 113.1 | R55 A56 V57 V61 | R55-R59 WeakPolarHBondContact O-CG 3.32Å; R55-R59 PolarHBondContact O-N 3.31Å; A56-R59 PolarHBondContact O-N 3.41Å; V57-R59 PolarHBondContact O-N 2.86Å; R59-V61 PolarHBondContact O-N 3.05Å |
| 60 | L | 60.1 | Low | 65.1 | Low | 30 Ų | 30 | 71.7 Ų | 71.7 | 16% | 0.157 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -79.7 | 120.6 | 177.5 | -66.6 | 175.9 | 0 | 0 | 0 | 110.4 | A56 V57 K62 V227 | A56-L60 PolarHBondContact O-N 3.4Å; V57-L60 HydrophobicContact CG2-CD1 4.46Å; V57-L60 WeakPolarHBondContact O-CB 3.44Å; V57-L60 PolarHBondContact O-N 3.33Å; V57-L60 VanDerWaalsContact O-N 3.14Å; L60-K62 PolarHBondContact O-N 3.36Å; L60-V227 HydrophobicContact CD1-CG2 4.26Å |
| 61 | V | 61 | Low | 63.9 | Low | 40 Ų | 40 | 68.8 Ų | 68.8 | 24% | 0.242 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -77 | 120.5 | 168 | 180 | 0 | 0 | 0 | 0 | 108.2 | R59 I63 P226 V227 I376 | R59-V61 PolarHBondContact O-N 3.05Å; V61-I63 HydrophobicContact CG1-CG1 4.3Å; V61-P226 WeakPolarHBondContact O-CA 3.47Å; V61-P226 WeakPolarHBondContact O-CB 3.37Å; V61-V227 PolarHBondContact O-N 3.39Å; V61-V227 VanDerWaalsContact O-N 3.12Å; V61-I376 HydrophobicContact CG1-CG2 3.8Å |
| 62 | K | 59.3 | Low | 63 | Low | 68 Ų | 68 | 67.7 Ų | 67.7 | 30% | 0.296 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 125.8 | 176.1 | -64.4 | 178.2 | -175.8 | 174.3 | 0 | 108.9 | L60 V246 T247 | L60-K62 PolarHBondContact O-N 3.36Å; K62-V246 HydrophobicContact CB-CB 4.27Å; K62-V246 HydrophobicContact CB-CG1 3.92Å; K62-V246 HydrophobicContact CB-CG2 4.07Å; K62-V246 HydrophobicContact CD-CG2 4.04Å; K62-T247 WeakPolarHBondContact O-CA 3.26Å; K62-T247 WeakPolarHBondContact O-CB 2.82Å; K62-T247 PolarHBondContact O-N 3.35Å |
| 63 | I | 63.8 | Low | 62.3 | Low | 7 Ų | 7 | 60.5 Ų | 60.5 | 4% | 0.036 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 121.7 | 176.5 | -61.6 | 178.8 | 0 | 0 | 0 | 109 | V61 P226 V227 Y228 L229 T247 V249 F369 I376 | V61-I63 HydrophobicContact CG1-CG1 4.3Å; I63-P226 HydrophobicContact CD1-CB 3.58Å; I63-P226 HydrophobicContact CD1-CG 4.01Å; I63-P226 HydrophobicContact CG1-CB 3.9Å; I63-V227 PolarHBondContact N-O 3.32Å; I63-Y228 HydrophobicContact CB-CD1 4.38Å; I63-Y228 HydrophobicContact CD1-CE1 4.43Å; I63-Y228 WeakPolarHBondContact O-CA 3.28Å; I63-L229 PolarHBondContact O-N 2.82Å; I63-T247 VanDerWaalsContact CA-O 3.32Å; I63-T247 WeakPolarHBondContact CA-O 2.93Å; I63-V249 HydrophobicContact CG2-CB 3.89Å; I63-V249 HydrophobicContact CG2-CG2 3.51Å; I63-F369 HydrophobicContact CD1-CE2 4.5Å; I63-I376 HydrophobicContact CD1-CD1 4.45Å |
| 64 | L | 63.7 | Low | 62 | Low | 14 Ų | 14 | 57.2 Ų | 57.2 | 7% | 0.073 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 131.1 | 171.9 | -179 | 67.5 | 0 | 0 | 0 | 111.1 | L66 L229 F243 V246 T247 N248 V249 | L64-L66 HydrophobicContact CD1-CD2 4.48Å; L64-L66 HydrophobicContact CD2-CD1 3.95Å; L64-L66 HydrophobicContact CD2-CD2 3.71Å; L64-L66 HydrophobicContact CD2-CG 3.8Å; L64-L66 HydrophobicContact CG-CD2 3.96Å; L64-L66 HydrophobicContact CG-CG 3.92Å; L64-L229 HydrophobicContact CD1-CB 3.41Å; L64-L229 VanDerWaalsContact CD1-CB 3.41Å; L64-L229 HydrophobicContact CD1-CD1 4.31Å; L64-F243 HydrophobicContact CD2-CD1 4.29Å; L64-F243 HydrophobicContact CD2-CE1 3.13Å; L64-F243 HydrophobicContact CD2-CZ 3.39Å; L64-V246 HydrophobicContact CB-CG1 3.67Å; L64-T247 PolarHBondContact N-O 2.74Å; L64-N248 VanDerWaalsContact CB-OD1 3.28Å; L64-N248 WeakPolarHBondContact CB-OD1 3.13Å; L64-N248 WeakPolarHBondContact CD2-OD1 3.5Å; L64-V249 CarbonylContact O-C 3.56Å; L64-V249 WeakPolarHBondContact O-CA 3.4Å; L64-V249 PolarHBondContact O-N 3.04Å |
| 65 | L | 63.3 | Low | 61.9 | Low | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 111.9 | 174.7 | -69.7 | 166.5 | 0 | 0 | 0 | 111 | F76 L77 L229 V249 | L65-F76 HydrophobicContact CD1-CD1 3.69Å; L65-F76 HydrophobicContact CD1-CE1 4.33Å; L65-F76 HydrophobicContact CD2-CD1 3.87Å; L65-F76 HydrophobicContact CD2-CE1 4.02Å; L65-F76 HydrophobicContact CG-CD1 4.45Å; L65-L77 HydrophobicContact CD1-CD1 4.36Å; L65-L77 HydrophobicContact CD1-CD2 3.44Å; L65-L77 VanDerWaalsContact CD1-CD2 3.44Å; L65-L77 HydrophobicContact CD1-CG 3.62Å; L65-L229 PolarHBondContact N-O 3.38Å; L65-V249 WeakPolarHBondContact CA-O 3.47Å; L65-V249 HydrophobicContact CD2-CB 3.96Å; L65-V249 HydrophobicContact CD2-CG1 3.64Å |
| 66 | L | 65.4 | Low | 61.8 | Low | 4 Ų | 4 | 44 Ų | 44 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 148.4 | 178.4 | -64.4 | 176.1 | 0 | 0 | 0 | 111.6 | L64 W239 V249 L250 R251 I286 | L64-L66 HydrophobicContact CD1-CD2 4.48Å; L64-L66 HydrophobicContact CD2-CD1 3.95Å; L64-L66 HydrophobicContact CD2-CD2 3.71Å; L64-L66 HydrophobicContact CD2-CG 3.8Å; L64-L66 HydrophobicContact CG-CD2 3.96Å; L64-L66 HydrophobicContact CG-CG 3.92Å; L66-W239 HydrophobicContact CD2-CD2 4.4Å; L66-W239 HydrophobicContact CD2-CE3 4.23Å; L66-W239 HydrophobicContact CD2-CZ3 4.34Å; L66-V249 PolarHBondContact N-O 2.74Å; L66-V249 VanDerWaalsContact N-O 3.1Å; L66-L250 HydrophobicContact CB-CD1 4.34Å; L66-L250 HydrophobicContact CB-CG 4.17Å; L66-R251 PolarHBondContact O-N 2.65Å; L66-I286 HydrophobicContact CB-CD1 4.41Å; L66-I286 HydrophobicContact CD1-CD1 3.98Å; L66-I286 HydrophobicContact CD1-CG2 4.25Å |
| 67 | G | 58.7 | Low | 62 | Low | 12 Ų | 12 | 41.7 Ų | 41.7 | 12% | 0.124 | 21% | 0.212 | C | C | . | . | trans | 159.2 | 166.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | K73 | G67-K73 PolarHBondContact O-NZ 3.47Š| ||
| 68 | A | 54.6 | Low | 62.5 | Low | 13 Ų | 13 | 38.6 Ų | 38.6 | 11% | 0.107 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -58 | 163.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | E70 S71 K73 I282 | A68-E70 PolarHBondContact O-N 3.44Å; A68-S71 VanDerWaalsContact O-CB 3.32Å; A68-S71 WeakPolarHBondContact O-CB 3.38Å; A68-S71 PolarHBondContact O-N 2.87Å; A68-S71 PolarHBondContact O-OG 2.82Å; A68-S71 VanDerWaalsContact O-OG 3.04Å; A68-K73 PolarHBondContact O-NZ 2.83Å; A68-I282 HydrophobicContact CB-CD1 4.29Å |
| 69 | G | 52.1 | Low | 62.9 | Low | 50 Ų | 50 | 28.6 Ų | 28.6 | 52% | 0.515 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51 | 137.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | S71 | G69-S71 VanDerWaalsContact C-N 3.28Å; G69-S71 PolarHBondContact O-N 2.92Å |
| 70 | E | 58.2 | Low | 63.2 | Low | 56 Ų | 56 | 19.1 Ų | 19.1 | 26% | 0.262 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | 19.6 | -178.7 | -45.8 | -176.8 | 156.2 | 0 | 0 | 116.9 | A68 G72 R210 R253 R256 K303 | A68-E70 PolarHBondContact O-N 3.44Å; E70-G72 PolarHBondContact O-N 3.44Å; E70-R210 IonicContact OE1-CZ 2.77Å; E70-R210 VanDerWaalsContact OE1-CZ 3.26Å; E70-R210 IonicContact OE1-NH1 3.57Å; E70-R210 PolarHBondContact OE1-NH1 3.1Å; E70-R210 IonicContact OE1-NH2 3.07Å; E70-R210 PolarHBondContact OE1-NH2 2.74Å; E70-R210 VanDerWaalsContact OE1-NH2 3.14Å; E70-R210 IonicContact OE2-NH2 3.88Å; E70-R253 PolarHBondContact O-NH1 3.21Å; E70-R253 IonicContact OE2-NH1 3.05Å; E70-R253 IonicContact OE2-NH2 3.09Å; E70-R256 IonicContact OE2-CZ 3.67Å; E70-R256 IonicContact OE2-NH1 3.69Å; E70-R256 PolarHBondContact OE2-NH1 3.3Å; E70-R256 IonicContact OE2-NH2 2.88Å; E70-K303 PolarHBondContact O-NZ 2.95Å |
| 71 | S | 59.5 | Low | 63.7 | Low | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -69.1 | -5.7 | 176.6 | 63.1 | 0 | 0 | 0 | 0 | 114.7 | A68 G69 K73 N302 | A68-S71 VanDerWaalsContact O-CB 3.32Å; A68-S71 WeakPolarHBondContact O-CB 3.38Å; A68-S71 PolarHBondContact O-N 2.87Å; A68-S71 PolarHBondContact O-OG 2.82Å; A68-S71 VanDerWaalsContact O-OG 3.04Å; G69-S71 VanDerWaalsContact C-N 3.28Å; G69-S71 PolarHBondContact O-N 2.92Å; S71-K73 WeakPolarHBondContact OG-CG 3.47Å; S71-K73 PolarHBondContact OG-NZ 3.4Å; S71-N302 PolarHBondContact O-ND2 3.35Å |
| 72 | G | 61.9 | Low | 64.2 | Low | 14 Ų | 14 | 21.5 Ų | 21.5 | 14% | 0.144 | 13% | 0.126 | C | C | . | . | S | Bend | trans | 93.7 | 17.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | E70 S74 T75 F76 | E70-G72 PolarHBondContact O-N 3.44Å; G72-S74 PolarHBondContact O-N 3.26Å; G72-T75 PolarHBondContact O-N 2.84Å; G72-F76 PolarHBondContact O-N 3.11Å |
| 73 | K | 64.6 | Low | 64.6 | Low | 27 Ų | 27 | 19.3 Ų | 19.3 | 12% | 0.117 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -54.4 | -50.7 | 176.7 | -65.3 | -178 | -66.4 | -75.5 | 0 | 112.7 | G67 A68 S71 T75 F76 L77 | G67-K73 PolarHBondContact O-NZ 3.47Å; A68-K73 PolarHBondContact O-NZ 2.83Å; S71-K73 WeakPolarHBondContact OG-CG 3.47Å; S71-K73 PolarHBondContact OG-NZ 3.4Å; K73-T75 VanDerWaalsContact C-N 3.32Å; K73-T75 PolarHBondContact O-N 3.01Å; K73-F76 PolarHBondContact O-N 3.25Å; K73-L77 PolarHBondContact O-N 3.12Å |
| 74 | S | 65.4 | Low | 64.8 | Low | 27 Ų | 27 | 21.2 Ų | 21.2 | 19% | 0.189 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.6 | -40.8 | 178.6 | -48.2 | 0 | 0 | 0 | 0 | 111.9 | G72 L77 K78 | G72-S74 PolarHBondContact O-N 3.26Å; S74-L77 PolarHBondContact O-N 3.14Å; S74-K78 VanDerWaalsContact O-CG 3.29Å; S74-K78 WeakPolarHBondContact O-CG 3.36Å; S74-K78 PolarHBondContact O-N 2.91Å |
| 75 | T | 69.1 | Low | 64.8 | Low | 30 Ų | 30 | 23.6 Ų | 23.6 | 18% | 0.184 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63 | -43 | 176.3 | -50.8 | 0 | 0 | 0 | 0 | 111.3 | G72 K73 L77 K78 Q79 L207 A359 | G72-T75 PolarHBondContact O-N 2.84Å; K73-T75 VanDerWaalsContact C-N 3.32Å; K73-T75 PolarHBondContact O-N 3.01Å; T75-L77 PolarHBondContact O-N 3.35Å; T75-K78 PolarHBondContact O-N 3.11Å; T75-Q79 WeakPolarHBondContact O-CG 3.3Å; T75-Q79 PolarHBondContact O-N 3.42Å; T75-L207 HydrophobicContact CG2-CB 4.17Å; T75-L207 HydrophobicContact CG2-CD2 4.45Å; T75-L207 WeakPolarHBondContact CG2-O 3.31Å; T75-L207 PolarHBondContact OG1-O 3.42Å; T75-A359 HydrophobicContact CG2-CB 3.81Å |
| 76 | F | 69.2 | Low | 64.9 | Low | 4 Ų | 4 | 25.6 Ų | 25.6 | 2% | 0.018 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.1 | -43.1 | 175.7 | -172.2 | -88.7 | 0 | 0 | 0 | 112 | L65 G72 K73 K78 Q79 M80 F300 I365 | L65-F76 HydrophobicContact CD1-CD1 3.69Å; L65-F76 HydrophobicContact CD1-CE1 4.33Å; L65-F76 HydrophobicContact CD2-CD1 3.87Å; L65-F76 HydrophobicContact CD2-CE1 4.02Å; L65-F76 HydrophobicContact CG-CD1 4.45Å; G72-F76 PolarHBondContact O-N 3.11Å; K73-F76 PolarHBondContact O-N 3.25Å; F76-K78 VanDerWaalsContact C-N 3.33Å; F76-K78 PolarHBondContact O-N 2.87Å; F76-Q79 PolarHBondContact O-N 3.21Å; F76-M80 HydrophobicContact CD1-CG 3.97Å; F76-M80 HydrophobicContact CE1-CE 4.18Å; F76-M80 HydrophobicContact CE1-CG 3.7Å; F76-M80 HydrophobicContact CE1-SD 4.13Å; F76-M80 HydrophobicContact CE2-CE 4.32Å; F76-M80 HydrophobicContact CZ-CE 3.91Å; F76-M80 HydrophobicContact CZ-CG 4.38Å; F76-M80 HydrophobicContact CZ-SD 4.31Å; F76-M80 WeakPolarHBondContact O-CG 3.42Å; F76-M80 PolarHBondContact O-N 3.48Å; F76-F300 HydrophobicContact CD2-CE2 4.46Å; F76-F300 HydrophobicContact CE1-CE2 4.39Å; F76-F300 HydrophobicContact CE2-CD2 4.34Å; F76-F300 AromaticContact CE2-CE2 3.67Å; F76-F300 HydrophobicContact CE2-CE2 3.67Å; F76-F300 HydrophobicContact CE2-CZ 4.08Å; F76-F300 AromaticContact CZ-CE2 3.62Å; F76-F300 HydrophobicContact CZ-CE2 3.62Å; F76-F300 HydrophobicContact CZ-CZ 4.03Å; F76-I365 HydrophobicContact CD2-CD1 4.05Å; F76-I365 HydrophobicContact CD2-CG2 4.3Å; F76-I365 HydrophobicContact CE2-CD1 4.15Å; F76-I365 HydrophobicContact CE2-CG2 4.04Å |
| 77 | L | 69.8 | Low | 64.8 | Low | 4 Ų | 4 | 34.2 Ų | 34.2 | 2% | 0.021 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.7 | -38.6 | 175.2 | -72.7 | 173.9 | 0 | 0 | 0 | 112.8 | L65 K73 S74 T75 M80 R81 I213 L218 Y228 N230 | L65-L77 HydrophobicContact CD1-CD1 4.36Å; L65-L77 HydrophobicContact CD1-CD2 3.44Å; L65-L77 VanDerWaalsContact CD1-CD2 3.44Å; L65-L77 HydrophobicContact CD1-CG 3.62Å; K73-L77 PolarHBondContact O-N 3.12Å; S74-L77 PolarHBondContact O-N 3.14Å; T75-L77 PolarHBondContact O-N 3.35Å; L77-M80 WeakPolarHBondContact O-CB 3.44Å; L77-M80 PolarHBondContact O-N 2.85Å; L77-R81 PolarHBondContact O-N 2.8Å; L77-R81 VanDerWaalsContact O-N 3.07Å; L77-I213 HydrophobicContact CB-CD1 3.93Å; L77-L218 HydrophobicContact CD2-CD1 4.16Å; L77-Y228 VanDerWaalsContact CD2-CB 3.41Å; L77-Y228 HydrophobicContact CD2-CD1 4.01Å; L77-Y228 HydrophobicContact CD2-CG 3.78Å; L77-N230 HydrophobicContact CD1-CB 3.92Å |
| 78 | K | 71.3 | Confident | 65.2 | Low | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.9 | -45.6 | 174.9 | -70.5 | 173.1 | 176 | -174.5 | 0 | 111 | S74 T75 F76 M80 R81 I82 F88 F96 V206 L207 S209 I213 | S74-K78 VanDerWaalsContact O-CG 3.29Å; S74-K78 WeakPolarHBondContact O-CG 3.36Å; S74-K78 PolarHBondContact O-N 2.91Å; T75-K78 PolarHBondContact O-N 3.11Å; F76-K78 VanDerWaalsContact C-N 3.33Å; F76-K78 PolarHBondContact O-N 2.87Å; K78-M80 VanDerWaalsContact C-N 3.28Å; K78-M80 PolarHBondContact O-N 2.96Å; K78-R81 PolarHBondContact O-N 3.12Å; K78-R81 VanDerWaalsContact O-N 3.1Å; K78-I82 WeakPolarHBondContact O-CG1 3.48Å; K78-I82 PolarHBondContact O-N 3.38Å; K78-F88 HydrophobicContact CB-CZ 4.41Å; K78-F96 VanDerWaalsContact CE-CE1 3.49Å; K78-V206 HydrophobicContact CD-CG1 4.19Å; K78-V206 VanDerWaalsContact CD-O 3.23Å; K78-V206 WeakPolarHBondContact CD-O 3.2Å; K78-V206 WeakPolarHBondContact CE-O 3.48Å; K78-V206 PolarHBondContact NZ-O 3.25Å; K78-L207 HydrophobicContact CB-CD2 3.82Å; K78-S209 PolarHBondContact NZ-O 3.49Å; K78-I213 HydrophobicContact CG-CD1 3.81Å |
| 79 | Q | 68.9 | Low | 66 | Low | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.2 | -41.6 | 173.7 | -71.2 | -70.1 | 17.4 | 0 | 0 | 111.8 | T75 F76 R81 I82 I83 L207 A359 V360 T362 I365 | T75-Q79 WeakPolarHBondContact O-CG 3.3Å; T75-Q79 PolarHBondContact O-N 3.42Å; F76-Q79 PolarHBondContact O-N 3.21Å; Q79-R81 VanDerWaalsContact C-N 3.3Å; Q79-R81 PolarHBondContact O-N 2.94Å; Q79-I82 PolarHBondContact O-N 2.98Å; Q79-I83 HydrophobicContact CB-CD1 4.37Å; Q79-I83 WeakPolarHBondContact O-CB 3.48Å; Q79-I83 WeakPolarHBondContact O-CD1 3.07Å; Q79-I83 VanDerWaalsContact O-CG1 3.28Å; Q79-I83 WeakPolarHBondContact O-CG1 3.47Å; Q79-I83 PolarHBondContact O-N 3.23Å; Q79-L207 HydrophobicContact CG-CD2 3.71Å; Q79-A359 WeakPolarHBondContact CG-O 3.3Å; Q79-A359 PolarHBondContact NE2-O 3.07Å; Q79-V360 PolarHBondContact NE2-O 3.21Å; Q79-T362 PolarHBondContact NE2-OG1 3.02Å; Q79-T362 PolarHBondContact OE1-OG1 3.09Å; Q79-I365 HydrophobicContact CB-CB 4.46Å; Q79-I365 HydrophobicContact CB-CG2 3.85Å; Q79-I365 HydrophobicContact CG-CG1 4.34Å; Q79-I365 HydrophobicContact CG-CG2 4.43Å |
| 80 | M | 67.8 | Low | 66.7 | Low | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.8 | -35.7 | 176 | -72.1 | -61.7 | 107.3 | 0 | 0 | 113 | F76 L77 K78 I83 N84 Y228 I365 F369 | F76-M80 HydrophobicContact CD1-CG 3.97Å; F76-M80 HydrophobicContact CE1-CE 4.18Å; F76-M80 HydrophobicContact CE1-CG 3.7Å; F76-M80 HydrophobicContact CE1-SD 4.13Å; F76-M80 HydrophobicContact CE2-CE 4.32Å; F76-M80 HydrophobicContact CZ-CE 3.91Å; F76-M80 HydrophobicContact CZ-CG 4.38Å; F76-M80 HydrophobicContact CZ-SD 4.31Å; F76-M80 WeakPolarHBondContact O-CG 3.42Å; F76-M80 PolarHBondContact O-N 3.48Å; L77-M80 WeakPolarHBondContact O-CB 3.44Å; L77-M80 PolarHBondContact O-N 2.85Å; K78-M80 VanDerWaalsContact C-N 3.28Å; K78-M80 PolarHBondContact O-N 2.96Å; M80-I83 HydrophobicContact CE-CD1 3.95Å; M80-N84 VanDerWaalsContact O-CB 3.25Å; M80-N84 WeakPolarHBondContact O-CB 3.39Å; M80-N84 VanDerWaalsContact O-CG 3.27Å; M80-N84 PolarHBondContact O-N 3.09Å; M80-N84 PolarHBondContact O-ND2 2.86Å; M80-Y228 HydrophobicContact CB-CE1 4.17Å; M80-Y228 HydrophobicContact CB-CE2 4.29Å; M80-Y228 HydrophobicContact CG-CE1 3.81Å; M80-Y228 HydrophobicContact SD-CE1 4.23Å; M80-I365 HydrophobicContact CE-CG2 3.37Å; M80-F369 HydrophobicContact CE-CB 3.73Å; M80-F369 HydrophobicContact CE-CD1 4.44Å; M80-F369 HydrophobicContact CE-CD2 3.76Å; M80-F369 HydrophobicContact CE-CE2 4.48Å; M80-F369 HydrophobicContact CE-CG 3.72Å; M80-F369 HydrophobicContact SD-CB 4.35Å; M80-F369 HydrophobicContact SD-CD1 4.19Å; M80-F369 HydrophobicContact SD-CD2 3.25Å; M80-F369 WeakPolarHBondContact SD-CD2 3.47Å; M80-F369 HydrophobicContact SD-CE1 4.31Å; M80-F369 HydrophobicContact SD-CE2 3.4Å; M80-F369 WeakPolarHBondContact SD-CE2 3.12Å; M80-F369 HydrophobicContact SD-CG 3.67Å; M80-F369 HydrophobicContact SD-CZ 3.93Å |
| 81 | R | 70.3 | Confident | 67.2 | Low | 59 Ų | 59 | 49.4 Ų | 49.4 | 22% | 0.223 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.6 | -47 | 173.8 | -74 | -172.7 | 176.6 | -168.9 | -2.1 | 111.2 | L77 K78 Q79 N84 G85 Q86 F88 L218 | L77-R81 PolarHBondContact O-N 2.8Å; L77-R81 VanDerWaalsContact O-N 3.07Å; K78-R81 PolarHBondContact O-N 3.12Å; K78-R81 VanDerWaalsContact O-N 3.1Å; Q79-R81 VanDerWaalsContact C-N 3.3Å; Q79-R81 PolarHBondContact O-N 2.94Å; R81-N84 PolarHBondContact O-N 3.14Å; R81-G85 PolarHBondContact O-N 3.09Å; R81-Q86 HydrophobicContact CB-CB 4.34Å; R81-Q86 PolarHBondContact O-N 2.92Å; R81-F88 HydrophobicContact CB-CZ 4.27Å; R81-L218 HydrophobicContact CG-CD2 4.25Å |
| 82 | I | 71.4 | Confident | 67.6 | Low | 61 Ų | 61 | 50.9 Ų | 50.9 | 31% | 0.313 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59.9 | -52 | 179.6 | -64.2 | 168.2 | 0 | 0 | 0 | 110.9 | K78 Q79 N84 G85 F88 L207 | K78-I82 WeakPolarHBondContact O-CG1 3.48Å; K78-I82 PolarHBondContact O-N 3.38Å; Q79-I82 PolarHBondContact O-N 2.98Å; I82-N84 VanDerWaalsContact C-N 3.27Å; I82-N84 PolarHBondContact O-N 3.5Å; I82-G85 PolarHBondContact O-N 3.3Å; I82-G85 VanDerWaalsContact O-N 3.09Å; I82-F88 HydrophobicContact CD1-CE2 4.13Å; I82-F88 HydrophobicContact CG1-CE2 3.7Å; I82-F88 HydrophobicContact CG1-CZ 4.24Å; I82-L207 HydrophobicContact CD1-CD2 3.8Å; I82-L207 HydrophobicContact CD1-CG 4.31Å |
| 83 | I | 68 | Low | 67.9 | Low | 23 Ų | 23 | 52.8 Ų | 52.8 | 12% | 0.118 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.4 | -33.9 | -177.2 | -68.2 | 163.3 | 0 | 0 | 0 | 111.8 | Q79 M80 G85 T362 I365 R366 | Q79-I83 HydrophobicContact CB-CD1 4.37Å; Q79-I83 WeakPolarHBondContact O-CB 3.48Å; Q79-I83 WeakPolarHBondContact O-CD1 3.07Å; Q79-I83 VanDerWaalsContact O-CG1 3.28Å; Q79-I83 WeakPolarHBondContact O-CG1 3.47Å; Q79-I83 PolarHBondContact O-N 3.23Å; M80-I83 HydrophobicContact CE-CD1 3.95Å; I83-G85 PolarHBondContact O-N 3.19Å; I83-T362 HydrophobicContact CD1-CG2 4.48Å; I83-T362 HydrophobicContact CG1-CG2 4.08Å; I83-I365 HydrophobicContact CD1-CB 4.2Å; I83-I365 HydrophobicContact CD1-CG2 3.73Å; I83-R366 HydrophobicContact CD1-CB 4.18Å; I83-R366 HydrophobicContact CG2-CG 4.4Å |
| 84 | N | 67.8 | Low | 68.2 | Low | 46 Ų | 46 | 54.6 Ų | 54.6 | 25% | 0.246 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | 10.9 | 179.1 | -70.5 | -47 | 0 | 0 | 0 | 113.8 | M80 R81 I82 Q86 Y228 | M80-N84 VanDerWaalsContact O-CB 3.25Å; M80-N84 WeakPolarHBondContact O-CB 3.39Å; M80-N84 VanDerWaalsContact O-CG 3.27Å; M80-N84 PolarHBondContact O-N 3.09Å; M80-N84 PolarHBondContact O-ND2 2.86Å; R81-N84 PolarHBondContact O-N 3.14Å; I82-N84 VanDerWaalsContact C-N 3.27Å; I82-N84 PolarHBondContact O-N 3.5Å; N84-Q86 VanDerWaalsContact C-N 3.29Å; N84-Q86 PolarHBondContact O-N 2.83Å; N84-Y228 PolarHBondContact ND2-OH 2.76Å |
| 85 | G | 63.4 | Low | 68.5 | Low | 64 Ų | 64 | 54.8 Ų | 54.8 | 66% | 0.66 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.4 | 22.6 | 177 | 0 | 0 | 0 | 0 | 0 | 113.9 | R81 I82 I83 E87 | R81-G85 PolarHBondContact O-N 3.09Å; I82-G85 PolarHBondContact O-N 3.3Å; I82-G85 VanDerWaalsContact O-N 3.09Å; I83-G85 PolarHBondContact O-N 3.19Å; G85-E87 PolarHBondContact O-N 3.02Å |
| 86 | Q | 66.2 | Low | 68.5 | Low | 42 Ų | 42 | 54 Ų | 54 | 20% | 0.196 | 28% | 0.278 | C | S | . | . | trans | -90.1 | 103.8 | 173.4 | -67.4 | -173.8 | -9.6 | 0 | 0 | 109.2 | R81 N84 | R81-Q86 HydrophobicContact CB-CB 4.34Å; R81-Q86 PolarHBondContact O-N 2.92Å; N84-Q86 VanDerWaalsContact C-N 3.29Å; N84-Q86 PolarHBondContact O-N 2.83Å | ||
| 87 | E | 63.7 | Low | 68.8 | Low | 185 Ų | 185 | 55.7 Ų | 55.7 | 86% | 0.864 | 28% | 0.284 | S | S | * | . | P | Polyproline II helix | trans | -66.9 | 148 | 173.2 | -64.5 | -177.4 | -177 | 0 | 0 | 111.2 | G85 | G85-E87 PolarHBondContact O-N 3.02Š|
| 88 | F | 66.9 | Low | 69 | Low | 34 Ų | 34 | 56.3 Ų | 56.3 | 15% | 0.149 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -81.3 | 130.5 | 172.9 | -63.4 | -80 | 0 | 0 | 0 | 109.1 | K78 R81 I82 A92 L93 F96 V206 | K78-F88 HydrophobicContact CB-CZ 4.41Å; R81-F88 HydrophobicContact CB-CZ 4.27Å; I82-F88 HydrophobicContact CD1-CE2 4.13Å; I82-F88 HydrophobicContact CG1-CE2 3.7Å; I82-F88 HydrophobicContact CG1-CZ 4.24Å; F88-A92 HydrophobicContact CB-CB 4.44Å; F88-L93 HydrophobicContact CB-CD2 3.75Å; F88-L93 HydrophobicContact CB-CG 4.01Å; F88-L93 HydrophobicContact CG-CD2 4.48Å; F88-F96 AromaticContact CD1-CE2 3.67Å; F88-F96 HydrophobicContact CD1-CE2 3.67Å; F88-F96 HydrophobicContact CD1-CZ 4.29Å; F88-F96 AromaticContact CE1-CE2 3.91Å; F88-F96 HydrophobicContact CE1-CE2 3.91Å; F88-F96 HydrophobicContact CE1-CZ 4.15Å; F88-F96 HydrophobicContact CG-CE2 4.17Å; F88-V206 HydrophobicContact CD2-CG1 4.38Å; F88-V206 HydrophobicContact CE1-CG1 4.42Å; F88-V206 HydrophobicContact CE2-CG1 3.9Å; F88-V206 HydrophobicContact CZ-CG1 3.92Å |
| 89 | D | 70.6 | Confident | 69.2 | Low | 112 Ų | 112 | 57.3 Ų | 57.3 | 60% | 0.599 | 29% | 0.293 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 151.7 | 173.9 | -176.4 | 24 | 0 | 0 | 0 | 111.1 | K91 A92 L93 | D89-K91 PolarHBondContact O-N 3.32Å; D89-K91 VanDerWaalsContact O-N 3.14Å; D89-A92 WeakPolarHBondContact O-CA 3.49Å; D89-A92 WeakPolarHBondContact O-CB 3.42Å; D89-A92 PolarHBondContact O-N 3.45Å; D89-L93 PolarHBondContact O-N 2.86Å |
| 90 | K | 66.8 | Low | 69.5 | Low | 170 Ų | 170 | 57.4 Ų | 57.4 | 74% | 0.739 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -52.8 | -38.5 | 180 | -71.3 | -176.6 | 178.6 | 179.5 | 0 | 111.8 | L93 L94 | K90-L93 PolarHBondContact O-N 2.82Å; K90-L94 WeakPolarHBondContact O-CG 3.13Å; K90-L94 PolarHBondContact O-N 2.93Å |
| 91 | K | 69.6 | Low | 70.1 | Confident | 135 Ų | 135 | 58 Ų | 58 | 59% | 0.587 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -62.2 | -44 | 175.3 | -173.4 | 179.8 | 178.8 | -178.4 | 0 | 112.2 | D89 L93 L94 D95 | D89-K91 PolarHBondContact O-N 3.32Å; D89-K91 VanDerWaalsContact O-N 3.14Å; K91-L93 VanDerWaalsContact C-N 3.35Å; K91-L94 PolarHBondContact O-N 3.39Å; K91-D95 WeakPolarHBondContact O-CB 3.25Å; K91-D95 PolarHBondContact O-N 3.09Å; K91-D95 VanDerWaalsContact O-N 3.07Å |
| 92 | A | 67.6 | Low | 70.5 | Confident | 30 Ų | 30 | 57.8 Ų | 57.8 | 25% | 0.248 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67.5 | -37.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | F88 D89 D95 F96 | F88-A92 HydrophobicContact CB-CB 4.44Å; D89-A92 WeakPolarHBondContact O-CA 3.49Å; D89-A92 WeakPolarHBondContact O-CB 3.42Å; D89-A92 PolarHBondContact O-N 3.45Å; A92-D95 PolarHBondContact O-N 3.35Å; A92-F96 HydrophobicContact CB-CE2 4.33Å; A92-F96 WeakPolarHBondContact O-CD2 3.36Å; A92-F96 WeakPolarHBondContact O-CG 3.39Å; A92-F96 PolarHBondContact O-N 2.94Å |
| 93 | L | 68.1 | Low | 70.9 | Confident | 55 Ų | 55 | 55.4 Ų | 55.4 | 29% | 0.288 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -59.4 | -55.3 | 173 | -66.3 | 174.3 | 0 | 0 | 0 | 110.2 | F88 D89 K90 K91 D95 F96 R97 F202 V206 | F88-L93 HydrophobicContact CB-CD2 3.75Å; F88-L93 HydrophobicContact CB-CG 4.01Å; F88-L93 HydrophobicContact CG-CD2 4.48Å; D89-L93 PolarHBondContact O-N 2.86Å; K90-L93 PolarHBondContact O-N 2.82Å; K91-L93 VanDerWaalsContact C-N 3.35Å; L93-D95 VanDerWaalsContact C-N 3.26Å; L93-D95 PolarHBondContact O-N 3.14Å; L93-F96 WeakPolarHBondContact O-CA 3.26Å; L93-F96 WeakPolarHBondContact O-CB 3.36Å; L93-F96 PolarHBondContact O-N 3.4Å; L93-R97 PolarHBondContact O-N 2.98Å; L93-F202 HydrophobicContact CB-CD1 4.49Å; L93-F202 HydrophobicContact CB-CE1 3.65Å; L93-F202 HydrophobicContact CB-CZ 4.3Å; L93-F202 HydrophobicContact CD2-CD1 3.78Å; L93-F202 HydrophobicContact CD2-CE1 3.54Å; L93-F202 HydrophobicContact CG-CE1 4.16Å; L93-F202 WeakPolarHBondContact O-CE1 3.43Å; L93-F202 WeakPolarHBondContact O-CZ 3.33Å; L93-V206 HydrophobicContact CD2-CG2 4.29Å |
| 94 | L | 70.3 | Confident | 71.5 | Confident | 65 Ų | 65 | 54.4 Ų | 54.4 | 34% | 0.34 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -53.5 | -43.8 | 178 | -68.3 | 170.9 | 0 | 0 | 0 | 112.6 | K90 K91 F96 R97 D98 | K90-L94 WeakPolarHBondContact O-CG 3.13Å; K90-L94 PolarHBondContact O-N 2.93Å; K91-L94 PolarHBondContact O-N 3.39Å; L94-F96 VanDerWaalsContact C-N 3.31Å; L94-F96 PolarHBondContact O-N 3.49Å; L94-R97 VanDerWaalsContact O-CB 3.24Å; L94-R97 WeakPolarHBondContact O-CB 3.45Å; L94-R97 PolarHBondContact O-N 3.47Å; L94-R97 VanDerWaalsContact O-N 3.14Å; L94-D98 VanDerWaalsContact O-CG 3.28Å; L94-D98 PolarHBondContact O-N 3.23Å; L94-D98 VanDerWaalsContact O-N 3.13Å |
| 95 | D | 71.5 | Confident | 72.3 | Confident | 30 Ų | 30 | 52.2 Ų | 52.2 | 16% | 0.16 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.5 | -34.6 | 176.4 | -80.7 | 13.8 | 0 | 0 | 0 | 113.4 | K91 A92 L93 T99 R145 R211 | K91-D95 WeakPolarHBondContact O-CB 3.25Å; K91-D95 PolarHBondContact O-N 3.09Å; K91-D95 VanDerWaalsContact O-N 3.07Å; A92-D95 PolarHBondContact O-N 3.35Å; L93-D95 VanDerWaalsContact C-N 3.26Å; L93-D95 PolarHBondContact O-N 3.14Å; D95-T99 PolarHBondContact O-N 3.03Å; D95-T99 PolarHBondContact O-OG1 3.39Å; D95-R145 IonicContact OD1-CZ 3.55Å; D95-R145 IonicContact OD1-NE 2.7Å; D95-R145 IonicContact OD1-NH2 3.81Å; D95-R145 PolarHBondContact OD1-NH2 3.5Å; D95-R211 VanDerWaalsContact CB-NH1 3.25Å; D95-R211 IonicContact OD2-CZ 3.62Å; D95-R211 IonicContact OD2-NH1 3.76Å; D95-R211 PolarHBondContact OD2-NH1 2.93Å; D95-R211 IonicContact OD2-NH2 3.68Å |
| 96 | F | 70.1 | Confident | 73.3 | Confident | 14 Ų | 14 | 53 Ų | 53 | 6% | 0.061 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -68.7 | -39.8 | 173.2 | -70.9 | -52.5 | 0 | 0 | 0 | 111.9 | K78 F88 A92 L93 L94 D98 T99 I100 F202 V206 | K78-F96 VanDerWaalsContact CE-CE1 3.49Å; F88-F96 AromaticContact CD1-CE2 3.67Å; F88-F96 HydrophobicContact CD1-CE2 3.67Å; F88-F96 HydrophobicContact CD1-CZ 4.29Å; F88-F96 AromaticContact CE1-CE2 3.91Å; F88-F96 HydrophobicContact CE1-CE2 3.91Å; F88-F96 HydrophobicContact CE1-CZ 4.15Å; F88-F96 HydrophobicContact CG-CE2 4.17Å; A92-F96 HydrophobicContact CB-CE2 4.33Å; A92-F96 WeakPolarHBondContact O-CD2 3.36Å; A92-F96 WeakPolarHBondContact O-CG 3.39Å; A92-F96 PolarHBondContact O-N 2.94Å; L93-F96 WeakPolarHBondContact O-CA 3.26Å; L93-F96 WeakPolarHBondContact O-CB 3.36Å; L93-F96 PolarHBondContact O-N 3.4Å; L94-F96 VanDerWaalsContact C-N 3.31Å; L94-F96 PolarHBondContact O-N 3.49Å; F96-D98 VanDerWaalsContact C-N 3.33Å; F96-D98 PolarHBondContact O-N 2.86Å; F96-T99 WeakPolarHBondContact O-CB 3.25Å; F96-T99 PolarHBondContact O-N 3.46Å; F96-I100 WeakPolarHBondContact O-CB 3.07Å; F96-I100 VanDerWaalsContact O-CD1 3.3Å; F96-I100 WeakPolarHBondContact O-CD1 3.46Å; F96-I100 WeakPolarHBondContact O-CG1 3.14Å; F96-I100 PolarHBondContact O-N 3.27Å; F96-F202 HydrophobicContact CB-CZ 4.42Å; F96-V206 HydrophobicContact CB-CG2 3.97Å; F96-V206 HydrophobicContact CD1-CG1 4.37Å; F96-V206 HydrophobicContact CD2-CB 4.25Å; F96-V206 HydrophobicContact CD2-CG1 3.68Å; F96-V206 HydrophobicContact CD2-CG2 3.62Å; F96-V206 HydrophobicContact CE1-CG1 4.33Å; F96-V206 HydrophobicContact CE2-CG1 3.61Å; F96-V206 HydrophobicContact CE2-CG2 4.35Å; F96-V206 HydrophobicContact CG-CB 4.43Å; F96-V206 HydrophobicContact CG-CG1 4.08Å; F96-V206 HydrophobicContact CG-CG2 3.93Å; F96-V206 HydrophobicContact CZ-CG1 3.96Å |
| 97 | R | 74.2 | Confident | 74.2 | Confident | 40 Ų | 40 | 51 Ų | 51 | 15% | 0.151 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -55.3 | -50.4 | 176.2 | -174.7 | -171.9 | 63.5 | -176.6 | 3.2 | 110.7 | L93 L94 T99 I100 Y101 P148 F202 | L93-R97 PolarHBondContact O-N 2.98Å; L94-R97 VanDerWaalsContact O-CB 3.24Å; L94-R97 WeakPolarHBondContact O-CB 3.45Å; L94-R97 PolarHBondContact O-N 3.47Å; L94-R97 VanDerWaalsContact O-N 3.14Å; R97-T99 VanDerWaalsContact C-N 3.3Å; R97-T99 PolarHBondContact O-N 2.7Å; R97-I100 WeakPolarHBondContact O-CA 3.41Å; R97-I100 VanDerWaalsContact O-CB 3.28Å; R97-I100 WeakPolarHBondContact O-CB 3.48Å; R97-I100 PolarHBondContact O-N 3.46Å; R97-Y101 HydrophobicContact CG-CD2 4.22Å; R97-Y101 HydrophobicContact CG-CE1 4.19Å; R97-Y101 HydrophobicContact CG-CE2 3.62Å; R97-Y101 PolarHBondContact O-N 2.78Å; R97-P148 VanDerWaalsContact NH1-CG 3.34Å; R97-F202 HydrophobicContact CB-CE2 3.59Å; R97-F202 HydrophobicContact CB-CZ 3.7Å; R97-F202 HydrophobicContact CG-CE2 4Å |
| 98 | D | 74.9 | Confident | 75.4 | Confident | 17 Ų | 17 | 42.3 Ų | 42.3 | 9% | 0.091 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.1 | -41.3 | -175.6 | -55.5 | -12.6 | 0 | 0 | 0 | 110 | L94 F96 I100 Y101 E102 R145 | L94-D98 VanDerWaalsContact O-CG 3.28Å; L94-D98 PolarHBondContact O-N 3.23Å; L94-D98 VanDerWaalsContact O-N 3.13Å; F96-D98 VanDerWaalsContact C-N 3.33Å; F96-D98 PolarHBondContact O-N 2.86Å; D98-I100 VanDerWaalsContact C-N 3.27Å; D98-I100 PolarHBondContact O-N 2.89Å; D98-Y101 PolarHBondContact O-N 3.48Å; D98-E102 WeakPolarHBondContact O-CB 3.45Å; D98-E102 PolarHBondContact O-N 2.95Å; D98-R145 VanDerWaalsContact OD2-CB 3.3Å; D98-R145 WeakPolarHBondContact OD2-CB 3.39Å; D98-R145 WeakPolarHBondContact OD2-CD 3.4Å; D98-R145 WeakPolarHBondContact OD2-CG 3.18Å; D98-R145 IonicContact OD2-NE 2.57Å |
| 99 | T | 75.4 | Confident | 76.4 | Confident | 20 Ų | 20 | 44.1 Ų | 44.1 | 12% | 0.123 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61 | -36.9 | 173.5 | -53.8 | 0 | 0 | 0 | 0 | 112.1 | D95 F96 R97 N103 S209 R211 | D95-T99 PolarHBondContact O-N 3.03Å; D95-T99 PolarHBondContact O-OG1 3.39Å; F96-T99 WeakPolarHBondContact O-CB 3.25Å; F96-T99 PolarHBondContact O-N 3.46Å; R97-T99 VanDerWaalsContact C-N 3.3Å; R97-T99 PolarHBondContact O-N 2.7Å; T99-N103 WeakPolarHBondContact CG2-ND2 3.26Å; T99-N103 WeakPolarHBondContact O-CB 3.18Å; T99-N103 PolarHBondContact O-N 3.14Å; T99-N103 PolarHBondContact O-ND2 2.85Å; T99-S209 WeakPolarHBondContact CB-OG 3.32Å; T99-S209 WeakPolarHBondContact CG2-OG 3.42Å; T99-R211 HydrophobicContact CG2-CB 4.13Å |
| 100 | I | 75.4 | Confident | 77.3 | Confident | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.3 | -50.3 | 179.8 | -79.4 | 158.1 | 0 | 0 | 0 | 110.2 | F96 R97 D98 E102 N103 I104 F187 L205 | F96-I100 WeakPolarHBondContact O-CB 3.07Å; F96-I100 VanDerWaalsContact O-CD1 3.3Å; F96-I100 WeakPolarHBondContact O-CD1 3.46Å; F96-I100 WeakPolarHBondContact O-CG1 3.14Å; F96-I100 PolarHBondContact O-N 3.27Å; R97-I100 WeakPolarHBondContact O-CA 3.41Å; R97-I100 VanDerWaalsContact O-CB 3.28Å; R97-I100 WeakPolarHBondContact O-CB 3.48Å; R97-I100 PolarHBondContact O-N 3.46Å; D98-I100 VanDerWaalsContact C-N 3.27Å; D98-I100 PolarHBondContact O-N 2.89Å; I100-E102 VanDerWaalsContact C-N 3.29Å; I100-E102 PolarHBondContact O-N 2.95Å; I100-N103 PolarHBondContact O-N 3.2Å; I100-N103 VanDerWaalsContact O-N 3.11Å; I100-I104 HydrophobicContact CG2-CD1 3.91Å; I100-I104 WeakPolarHBondContact O-CG1 3.48Å; I100-I104 PolarHBondContact O-N 2.8Å; I100-F187 HydrophobicContact CB-CE2 4.35Å; I100-F187 HydrophobicContact CG1-CE2 4.44Å; I100-F187 HydrophobicContact CG2-CD2 4.14Å; I100-F187 HydrophobicContact CG2-CE1 4.16Å; I100-F187 HydrophobicContact CG2-CE2 3.08Å; I100-F187 HydrophobicContact CG2-CZ 3.11Å; I100-L205 HydrophobicContact CD1-CB 3.55Å; I100-L205 HydrophobicContact CG1-CB 4.38Å |
| 101 | Y | 79 | Confident | 78.3 | Confident | 13 Ų | 13 | 32.9 Ų | 32.9 | 5% | 0.051 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -57.4 | -45.4 | 177.7 | -65 | -20.1 | 0 | 0 | 0 | 111.7 | R97 D98 N103 I104 L105 L146 F151 I198 | R97-Y101 HydrophobicContact CG-CD2 4.22Å; R97-Y101 HydrophobicContact CG-CE1 4.19Å; R97-Y101 HydrophobicContact CG-CE2 3.62Å; R97-Y101 PolarHBondContact O-N 2.78Å; D98-Y101 PolarHBondContact O-N 3.48Å; Y101-N103 VanDerWaalsContact C-N 3.32Å; Y101-N103 PolarHBondContact O-N 3.35Å; Y101-I104 PolarHBondContact O-N 3.21Å; Y101-L105 PolarHBondContact O-N 3.01Å; Y101-L146 HydrophobicContact CD2-CD2 3.62Å; Y101-L146 HydrophobicContact CG-CD2 4.07Å; Y101-F151 HydrophobicContact CD1-CB 4.38Å; Y101-F151 AromaticContact CD1-CD1 3.64Å; Y101-F151 HydrophobicContact CD1-CD1 3.64Å; Y101-F151 AromaticContact CD1-CD2 3.75Å; Y101-F151 HydrophobicContact CD1-CD2 3.75Å; Y101-F151 AromaticContact CD1-CE1 3.75Å; Y101-F151 HydrophobicContact CD1-CE1 3.75Å; Y101-F151 AromaticContact CD1-CE2 3.85Å; Y101-F151 HydrophobicContact CD1-CE2 3.85Å; Y101-F151 AromaticContact CD1-CG 3.64Å; Y101-F151 HydrophobicContact CD1-CG 3.64Å; Y101-F151 AromaticContact CD1-CZ 3.85Å; Y101-F151 HydrophobicContact CD1-CZ 3.85Å; Y101-F151 HydrophobicContact CD2-CB 3.81Å; Y101-F151 HydrophobicContact CD2-CD2 4.27Å; Y101-F151 AromaticContact CD2-CG 3.95Å; Y101-F151 HydrophobicContact CD2-CG 3.95Å; Y101-F151 AromaticContact CE1-CD1 3.59Å; Y101-F151 HydrophobicContact CE1-CD1 3.59Å; Y101-F151 HydrophobicContact CE1-CD2 4.5Å; Y101-F151 AromaticContact CE1-CE1 3.82Å; Y101-F151 HydrophobicContact CE1-CE1 3.82Å; Y101-F151 AromaticContact CE1-CG 3.96Å; Y101-F151 HydrophobicContact CE1-CG 3.96Å; Y101-F151 HydrophobicContact CE1-CZ 4.38Å; Y101-F151 HydrophobicContact CE2-CB 3.94Å; Y101-F151 HydrophobicContact CE2-CD1 4.44Å; Y101-F151 HydrophobicContact CE2-CG 4.21Å; Y101-F151 HydrophobicContact CG-CB 4.02Å; Y101-F151 HydrophobicContact CG-CD1 4.13Å; Y101-F151 AromaticContact CG-CD2 3.61Å; Y101-F151 HydrophobicContact CG-CD2 3.61Å; Y101-F151 HydrophobicContact CG-CE2 4.07Å; Y101-F151 AromaticContact CG-CG 3.64Å; Y101-F151 HydrophobicContact CG-CG 3.64Å; Y101-F151 AromaticContact CZ-CD1 3.99Å; Y101-I198 HydrophobicContact CE1-CD1 4.04Å; Y101-I198 HydrophobicContact CE1-CG2 4.18Å |
| 102 | E | 79.9 | Confident | 79.4 | Confident | 55 Ų | 55 | 27.1 Ų | 27.1 | 26% | 0.257 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -60.3 | -41.8 | 176.6 | -161.6 | -169.1 | -174.4 | 0 | 0 | 112.1 | D98 I100 I104 K106 W137 | D98-E102 WeakPolarHBondContact O-CB 3.45Å; D98-E102 PolarHBondContact O-N 2.95Å; I100-E102 VanDerWaalsContact C-N 3.29Å; I100-E102 PolarHBondContact O-N 2.95Å; E102-I104 VanDerWaalsContact C-N 3.33Å; E102-I104 PolarHBondContact O-N 3.36Å; E102-K106 VanDerWaalsContact CD-NZ 3.27Å; E102-K106 HydrophobicContact CG-CD 4.12Å; E102-K106 VanDerWaalsContact O-CB 3.26Å; E102-K106 WeakPolarHBondContact O-CB 3.49Å; E102-K106 VanDerWaalsContact O-CG 3.27Å; E102-K106 WeakPolarHBondContact O-CG 3.3Å; E102-K106 PolarHBondContact O-N 3.23Å; E102-K106 WeakPolarHBondContact OE1-CE 3.22Å; E102-K106 IonicContact OE1-NZ 2.68Å; E102-K106 PolarHBondContact OE1-NZ 2.76Å; E102-K106 IonicContact OE2-NZ 3.14Å; E102-W137 HydrophobicContact CG-CH2 3.67Å; E102-W137 HydrophobicContact CG-CZ2 4.05Å |
| 103 | N | 79.1 | Confident | 80.5 | Confident | 12 Ų | 12 | 28.3 Ų | 28.3 | 6% | 0.064 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -66.2 | -34.2 | 177.4 | -76.2 | -48.5 | 0 | 0 | 0 | 112.7 | T99 I100 Y101 G107 L180 T183 | T99-N103 WeakPolarHBondContact CG2-ND2 3.26Å; T99-N103 WeakPolarHBondContact O-CB 3.18Å; T99-N103 PolarHBondContact O-N 3.14Å; T99-N103 PolarHBondContact O-ND2 2.85Å; I100-N103 PolarHBondContact O-N 3.2Å; I100-N103 VanDerWaalsContact O-N 3.11Å; Y101-N103 VanDerWaalsContact C-N 3.32Å; Y101-N103 PolarHBondContact O-N 3.35Å; N103-G107 WeakPolarHBondContact O-CA 3.15Å; N103-G107 PolarHBondContact O-N 2.88Å; N103-L180 HydrophobicContact CB-CD1 4.32Å; N103-T183 HydrophobicContact CB-CG2 4.27Å |
| 104 | I | 80.7 | Confident | 81.4 | Confident | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -69.2 | -50.3 | 177.2 | -64.6 | 162.7 | 0 | 0 | 0 | 109.7 | I100 Y101 E102 G107 M108 F151 L158 T183 F187 L188 | I100-I104 HydrophobicContact CG2-CD1 3.91Å; I100-I104 WeakPolarHBondContact O-CG1 3.48Å; I100-I104 PolarHBondContact O-N 2.8Å; Y101-I104 PolarHBondContact O-N 3.21Å; E102-I104 VanDerWaalsContact C-N 3.33Å; E102-I104 PolarHBondContact O-N 3.36Å; I104-G107 WeakPolarHBondContact O-CA 3.48Å; I104-G107 PolarHBondContact O-N 2.88Å; I104-G107 VanDerWaalsContact O-N 3.16Å; I104-M108 PolarHBondContact O-N 3.16Å; I104-F151 HydrophobicContact CB-CE2 4.28Å; I104-F151 HydrophobicContact CB-CZ 4.36Å; I104-F151 HydrophobicContact CD1-CE2 4.35Å; I104-F151 HydrophobicContact CD1-CZ 3.8Å; I104-F151 HydrophobicContact CG2-CE2 4.33Å; I104-F151 HydrophobicContact CG2-CZ 4.18Å; I104-L158 HydrophobicContact CG2-CD1 3.76Å; I104-L158 HydrophobicContact CG2-CD2 4.19Å; I104-T183 HydrophobicContact CG1-CG2 4.26Å; I104-F187 HydrophobicContact CD1-CB 4.16Å; I104-F187 HydrophobicContact CD1-CD1 3.44Å; I104-F187 VanDerWaalsContact CD1-CD1 3.44Å; I104-F187 HydrophobicContact CD1-CD2 3.83Å; I104-F187 HydrophobicContact CD1-CE1 3.62Å; I104-F187 HydrophobicContact CD1-CE2 3.96Å; I104-F187 HydrophobicContact CD1-CG 3.53Å; I104-F187 HydrophobicContact CD1-CZ 3.86Å; I104-F187 HydrophobicContact CG1-CB 4.31Å; I104-F187 HydrophobicContact CG1-CD1 4.43Å; I104-F187 HydrophobicContact CG1-CD2 4.24Å; I104-F187 HydrophobicContact CG1-CG 4.08Å; I104-L188 HydrophobicContact CG2-CD2 4.43Å |
| 105 | L | 84.6 | Confident | 82.5 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -62.8 | -49.1 | -179.6 | -69.2 | 171.1 | 0 | 0 | 0 | 111.5 | Y101 G107 M108 R109 W137 L146 F151 Y154 L158 | Y101-L105 PolarHBondContact O-N 3.01Å; L105-G107 VanDerWaalsContact C-N 3.25Å; L105-G107 PolarHBondContact O-N 3.09Å; L105-M108 PolarHBondContact O-N 3.5Å; L105-R109 WeakPolarHBondContact O-CG 3.34Å; L105-R109 PolarHBondContact O-N 3.33Å; L105-W137 HydrophobicContact CB-CD2 4Å; L105-W137 HydrophobicContact CB-CE3 3.98Å; L105-W137 HydrophobicContact CB-CH2 4.43Å; L105-W137 HydrophobicContact CB-CZ2 4.44Å; L105-W137 HydrophobicContact CB-CZ3 4.22Å; L105-W137 HydrophobicContact CD1-CD2 3.97Å; L105-W137 HydrophobicContact CD1-CG 4.09Å; L105-W137 HydrophobicContact CD1-CZ2 4.15Å; L105-L146 HydrophobicContact CD1-CD1 4.03Å; L105-F151 HydrophobicContact CD1-CD2 4.19Å; L105-F151 HydrophobicContact CD1-CE2 4.5Å; L105-F151 HydrophobicContact CD2-CE2 4.49Å; L105-F151 HydrophobicContact CG-CD2 4.33Å; L105-F151 HydrophobicContact CG-CE2 4.15Å; L105-Y154 HydrophobicContact CD1-CD2 4.47Å; L105-Y154 HydrophobicContact CD2-CD1 3.98Å; L105-Y154 HydrophobicContact CD2-CD2 4.15Å; L105-Y154 HydrophobicContact CD2-CG 3.67Å; L105-L158 HydrophobicContact CD2-CD1 4.16Å; L105-L158 HydrophobicContact CD2-CD2 4.41Å |
| 106 | K | 84.7 | Confident | 83.4 | Confident | 82 Ų | 82 | 27.5 Ų | 27.5 | 36% | 0.357 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -57.7 | -41.7 | 173 | -73.6 | 179.5 | 179.7 | 174 | 0 | 111.6 | E102 R109 V110 W137 L180 | E102-K106 VanDerWaalsContact CD-NZ 3.27Å; E102-K106 HydrophobicContact CG-CD 4.12Å; E102-K106 VanDerWaalsContact O-CB 3.26Å; E102-K106 WeakPolarHBondContact O-CB 3.49Å; E102-K106 VanDerWaalsContact O-CG 3.27Å; E102-K106 WeakPolarHBondContact O-CG 3.3Å; E102-K106 PolarHBondContact O-N 3.23Å; E102-K106 WeakPolarHBondContact OE1-CE 3.22Å; E102-K106 IonicContact OE1-NZ 2.68Å; E102-K106 PolarHBondContact OE1-NZ 2.76Å; E102-K106 IonicContact OE2-NZ 3.14Å; K106-R109 PolarHBondContact O-N 3.32Å; K106-V110 WeakPolarHBondContact O-CG2 3.44Å; K106-V110 PolarHBondContact O-N 2.81Å; K106-V110 VanDerWaalsContact O-N 3.1Å; K106-W137 HydrophobicContact CG-CH2 3.92Å; K106-W137 HydrophobicContact CG-CZ3 3.61Å; K106-L180 HydrophobicContact CB-CD1 4.16Å |
| 107 | G | 84.8 | Confident | 84.3 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.9 | -49.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | N103 I104 L105 V110 L111 L179 | N103-G107 WeakPolarHBondContact O-CA 3.15Å; N103-G107 PolarHBondContact O-N 2.88Å; I104-G107 WeakPolarHBondContact O-CA 3.48Å; I104-G107 PolarHBondContact O-N 2.88Å; I104-G107 VanDerWaalsContact O-N 3.16Å; L105-G107 VanDerWaalsContact C-N 3.25Å; L105-G107 PolarHBondContact O-N 3.09Å; G107-V110 PolarHBondContact O-N 3.12Å; G107-L111 PolarHBondContact O-N 3.17Å; G107-L179 WeakPolarHBondContact O-CD1 3.26Å |
| 108 | M | 88.4 | Confident | 85 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -68.9 | -40 | 179.2 | -170.5 | 63 | 79.4 | 0 | 0 | 111.9 | I104 L105 V110 L111 V112 V134 L158 L161 W162 I167 L188 | I104-M108 PolarHBondContact O-N 3.16Å; L105-M108 PolarHBondContact O-N 3.5Å; M108-V110 VanDerWaalsContact C-N 3.26Å; M108-V110 PolarHBondContact O-N 3.21Å; M108-L111 WeakPolarHBondContact O-CA 3.33Å; M108-L111 WeakPolarHBondContact O-CB 3.27Å; M108-L111 PolarHBondContact O-N 3.21Å; M108-L111 HydrophobicContact SD-CB 4.26Å; M108-L111 HydrophobicContact SD-CD1 4.1Å; M108-V112 HydrophobicContact CG-CG2 4.34Å; M108-V112 WeakPolarHBondContact O-CG2 3.45Å; M108-V112 PolarHBondContact O-N 3.09Å; M108-V134 HydrophobicContact CB-CG1 3.99Å; M108-V134 HydrophobicContact CG-CG1 3.95Å; M108-L158 HydrophobicContact CB-CD2 3.51Å; M108-L158 HydrophobicContact CE-CD2 4.12Å; M108-L158 WeakPolarHBondContact CE-O 3.09Å; M108-L158 HydrophobicContact CG-CD2 3.72Å; M108-L161 HydrophobicContact CE-CB 3.99Å; M108-L161 HydrophobicContact CG-CD1 3.81Å; M108-L161 HydrophobicContact SD-CB 3.95Å; M108-L161 HydrophobicContact SD-CD1 4.29Å; M108-W162 HydrophobicContact CE-CB 4.27Å; M108-W162 HydrophobicContact CE-CE3 4.39Å; M108-I167 HydrophobicContact SD-CG2 4.23Å; M108-L188 HydrophobicContact CE-CD1 3.56Å |
| 109 | R | 89.3 | Confident | 85.7 | Confident | 72 Ų | 72 | 36.4 Ų | 36.4 | 27% | 0.272 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -54.4 | -44 | 173.4 | -74.7 | -177.6 | 69.9 | -170.8 | 4.8 | 112.2 | L105 K106 L111 V112 D113 V134 M135 W137 | L105-R109 WeakPolarHBondContact O-CG 3.34Å; L105-R109 PolarHBondContact O-N 3.33Å; K106-R109 PolarHBondContact O-N 3.32Å; R109-L111 VanDerWaalsContact C-N 3.3Å; R109-L111 PolarHBondContact O-N 3.4Å; R109-V112 PolarHBondContact O-N 3.41Å; R109-D113 WeakPolarHBondContact O-CB 3.42Å; R109-D113 PolarHBondContact O-N 3.07Å; R109-V134 VanDerWaalsContact CD-O 3.28Å; R109-V134 WeakPolarHBondContact CD-O 3.31Å; R109-V134 HydrophobicContact CG-CG1 3.64Å; R109-V134 WeakPolarHBondContact CG-O 3.49Å; R109-M135 HydrophobicContact CB-SD 3.98Å; R109-M135 HydrophobicContact CG-SD 4.05Å; R109-M135 PolarHBondContact NH2-O 3.3Å; R109-W137 PolarHBondContact NH1-O 3.11Å |
| 110 | V | 88.1 | Confident | 86.5 | Confident | 47 Ų | 47 | 36.1 Ų | 36.1 | 29% | 0.285 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -63.5 | -36 | 176 | 171.6 | 0 | 0 | 0 | 0 | 111.7 | K106 G107 M108 A114 F177 L179 | K106-V110 WeakPolarHBondContact O-CG2 3.44Å; K106-V110 PolarHBondContact O-N 2.81Å; K106-V110 VanDerWaalsContact O-N 3.1Å; G107-V110 PolarHBondContact O-N 3.12Å; M108-V110 VanDerWaalsContact C-N 3.26Å; M108-V110 PolarHBondContact O-N 3.21Å; V110-A114 WeakPolarHBondContact O-CB 3.44Å; V110-A114 PolarHBondContact O-N 2.93Å; V110-F177 HydrophobicContact CG1-CD2 3.66Å; V110-F177 HydrophobicContact CG1-CE2 4.02Å; V110-L179 HydrophobicContact CB-CD1 3.93Å; V110-L179 HydrophobicContact CG1-CD1 3.78Å |
| 111 | L | 89.3 | Confident | 87.3 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -68.9 | -43.3 | 176.5 | -76.4 | 170.4 | 0 | 0 | 0 | 112.4 | G107 M108 R109 A114 R115 W162 I167 Y171 F177 L179 I184 | G107-L111 PolarHBondContact O-N 3.17Å; M108-L111 WeakPolarHBondContact O-CA 3.33Å; M108-L111 WeakPolarHBondContact O-CB 3.27Å; M108-L111 PolarHBondContact O-N 3.21Å; M108-L111 HydrophobicContact SD-CB 4.26Å; M108-L111 HydrophobicContact SD-CD1 4.1Å; R109-L111 VanDerWaalsContact C-N 3.3Å; R109-L111 PolarHBondContact O-N 3.4Å; L111-A114 PolarHBondContact O-N 3Å; L111-R115 WeakPolarHBondContact O-CB 3.4Å; L111-R115 PolarHBondContact O-N 3.01Å; L111-W162 HydrophobicContact CD1-CE3 4.46Å; L111-W162 HydrophobicContact CD1-CZ3 4.01Å; L111-I167 HydrophobicContact CB-CG2 4.34Å; L111-I167 HydrophobicContact CD1-CG2 4.2Å; L111-Y171 HydrophobicContact CD1-CD2 4.28Å; L111-Y171 HydrophobicContact CD2-CD2 4.16Å; L111-F177 HydrophobicContact CD2-CE2 4Å; L111-F177 HydrophobicContact CD2-CZ 3.91Å; L111-L179 HydrophobicContact CD1-CD2 4.32Å; L111-L179 HydrophobicContact CD2-CD1 4.24Å; L111-L179 HydrophobicContact CD2-CD2 3.7Å; L111-L179 HydrophobicContact CG-CD1 3.85Å; L111-L179 HydrophobicContact CG-CD2 4.03Å; L111-I184 HydrophobicContact CD1-CG2 4.18Å |
| 112 | V | 91.4 | Very high | 88 | Confident | 13 Ų | 13 | 43.7 Ų | 43.7 | 8% | 0.079 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62 | -48.7 | 177.2 | 175.9 | 0 | 0 | 0 | 0 | 110.4 | M108 R109 R115 D116 W122 M135 L161 I167 | M108-V112 HydrophobicContact CG-CG2 4.34Å; M108-V112 WeakPolarHBondContact O-CG2 3.45Å; M108-V112 PolarHBondContact O-N 3.09Å; R109-V112 PolarHBondContact O-N 3.41Å; V112-R115 PolarHBondContact O-N 2.87Å; V112-D116 PolarHBondContact O-N 2.76Å; V112-W122 HydrophobicContact CG1-CH2 4.32Å; V112-W122 HydrophobicContact CG1-CZ2 4.29Å; V112-W122 HydrophobicContact CG2-CH2 4.37Å; V112-M135 HydrophobicContact CB-CG 4.46Å; V112-M135 HydrophobicContact CB-SD 4.48Å; V112-M135 HydrophobicContact CG1-CG 3.94Å; V112-M135 HydrophobicContact CG1-SD 4.44Å; V112-L161 HydrophobicContact CG2-CD1 4.18Å; V112-I167 HydrophobicContact CG2-CD1 4.17Å |
| 113 | D | 90.5 | Very high | 88.6 | Confident | 56 Ų | 56 | 47.6 Ų | 47.6 | 30% | 0.299 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.5 | -41.7 | 176.4 | 174.8 | 69.7 | 0 | 0 | 0 | 112.6 | R109 D116 K117 M135 | R109-D113 WeakPolarHBondContact O-CB 3.42Å; R109-D113 PolarHBondContact O-N 3.07Å; D113-D116 PolarHBondContact O-N 2.95Å; D113-K117 WeakPolarHBondContact O-CG 3.26Å; D113-K117 PolarHBondContact O-N 3.1Å; D113-K117 VanDerWaalsContact O-N 3.08Å; D113-K117 VanDerWaalsContact OD1-CE 3.24Å; D113-K117 WeakPolarHBondContact OD1-CE 3.42Å; D113-K117 IonicContact OD1-NZ 3.33Å; D113-K117 PolarHBondContact OD1-NZ 2.88Å; D113-K117 IonicContact OD2-NZ 3.86Å; D113-K117 PolarHBondContact OD2-NZ 3.41Å; D113-M135 HydrophobicContact CB-CE 4.23Å |
| 114 | A | 87.6 | Confident | 89 | Confident | 4 Ų | 4 | 48.9 Ų | 48.9 | 3% | 0.033 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.6 | -41.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V110 L111 D116 K117 L118 F177 | V110-A114 WeakPolarHBondContact O-CB 3.44Å; V110-A114 PolarHBondContact O-N 2.93Å; L111-A114 PolarHBondContact O-N 3Å; A114-D116 VanDerWaalsContact C-N 3.31Å; A114-D116 PolarHBondContact O-N 2.85Å; A114-K117 PolarHBondContact O-N 2.77Å; A114-L118 VanDerWaalsContact O-CB 3.32Å; A114-L118 WeakPolarHBondContact O-CB 3.37Å; A114-L118 WeakPolarHBondContact O-CG 3.43Å; A114-L118 PolarHBondContact O-N 3.4Å; A114-F177 HydrophobicContact CB-CD1 3.53Å; A114-F177 HydrophobicContact CB-CD2 3.74Å; A114-F177 HydrophobicContact CB-CE1 3.43Å; A114-F177 VanDerWaalsContact CB-CE1 3.43Å; A114-F177 HydrophobicContact CB-CE2 3.63Å; A114-F177 HydrophobicContact CB-CG 3.68Å; A114-F177 HydrophobicContact CB-CZ 3.46Å; A114-F177 VanDerWaalsContact CB-CZ 3.46Å |
| 115 | R | 93.3 | Very high | 89.2 | Confident | 5 Ų | 5 | 53.6 Ų | 53.6 | 2% | 0.019 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -55.4 | -49 | 174.9 | 161.6 | -102.3 | -94.2 | -57.7 | -35.5 | 111.3 | L111 V112 K117 L118 G119 I120 T121 W122 D164 I167 A170 | L111-R115 WeakPolarHBondContact O-CB 3.4Å; L111-R115 PolarHBondContact O-N 3.01Å; V112-R115 PolarHBondContact O-N 2.87Å; R115-K117 PolarHBondContact O-N 3.37Å; R115-L118 CarbonylContact O-C 3.56Å; R115-L118 PolarHBondContact O-N 3.44Å; R115-G119 PolarHBondContact O-N 3.3Å; R115-G119 VanDerWaalsContact O-N 3.09Å; R115-I120 VanDerWaalsContact CD-O 3.28Å; R115-I120 WeakPolarHBondContact CD-O 3.39Å; R115-I120 HydrophobicContact CG-CB 3.84Å; R115-I120 HydrophobicContact CG-CG2 4.37Å; R115-I120 WeakPolarHBondContact CG-O 3.49Å; R115-I120 PolarHBondContact NH1-O 2.77Å; R115-I120 PolarHBondContact O-N 3.2Å; R115-T121 PolarHBondContact NH1-O 2.97Å; R115-W122 VanDerWaalsContact NH1-CG 3.27Å; R115-D164 IonicContact NH2-OD1 3.73Å; R115-D164 PolarHBondContact NH2-OD1 2.8Å; R115-D164 VanDerWaalsContact NH2-OD1 3.15Å; R115-I167 HydrophobicContact CB-CD1 4.39Å; R115-A170 HydrophobicContact CB-CB 3.93Å |
| 116 | D | 91.1 | Very high | 89.3 | Confident | 123 Ų | 123 | 60.2 Ų | 60.2 | 66% | 0.658 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -60.8 | -47.3 | -178.2 | -171.5 | 42.8 | 0 | 0 | 0 | 110.7 | V112 D113 A114 L118 G119 | V112-D116 PolarHBondContact O-N 2.76Å; D113-D116 PolarHBondContact O-N 2.95Å; A114-D116 VanDerWaalsContact C-N 3.31Å; A114-D116 PolarHBondContact O-N 2.85Å; D116-L118 VanDerWaalsContact C-N 3.26Å; D116-L118 PolarHBondContact O-N 2.87Å; D116-G119 PolarHBondContact O-N 2.77Å |
| 117 | K | 89.6 | Confident | 89.6 | Confident | 149 Ų | 149 | 57.1 Ų | 57.1 | 65% | 0.648 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -63.5 | -27.4 | 176.1 | -73.4 | 172.6 | 179.1 | 159 | 0 | 114.7 | D113 A114 R115 G119 | D113-K117 WeakPolarHBondContact O-CG 3.26Å; D113-K117 PolarHBondContact O-N 3.1Å; D113-K117 VanDerWaalsContact O-N 3.08Å; D113-K117 VanDerWaalsContact OD1-CE 3.24Å; D113-K117 WeakPolarHBondContact OD1-CE 3.42Å; D113-K117 IonicContact OD1-NZ 3.33Å; D113-K117 PolarHBondContact OD1-NZ 2.88Å; D113-K117 IonicContact OD2-NZ 3.86Å; D113-K117 PolarHBondContact OD2-NZ 3.41Å; A114-K117 PolarHBondContact O-N 2.77Å; R115-K117 PolarHBondContact O-N 3.37Å; K117-G119 VanDerWaalsContact C-N 3.33Å |
| 118 | L | 88.2 | Confident | 89.9 | Confident | 45 Ų | 45 | 62.2 Ų | 62.2 | 24% | 0.236 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -1.8 | 177.2 | -65.8 | -179.3 | 0 | 0 | 0 | 112.7 | A114 R115 D116 I120 R173 E176 F177 | A114-L118 VanDerWaalsContact O-CB 3.32Å; A114-L118 WeakPolarHBondContact O-CB 3.37Å; A114-L118 WeakPolarHBondContact O-CG 3.43Å; A114-L118 PolarHBondContact O-N 3.4Å; R115-L118 CarbonylContact O-C 3.56Å; R115-L118 PolarHBondContact O-N 3.44Å; D116-L118 VanDerWaalsContact C-N 3.26Å; D116-L118 PolarHBondContact O-N 2.87Å; L118-I120 VanDerWaalsContact C-N 3.29Å; L118-I120 HydrophobicContact CB-CD1 3.86Å; L118-I120 HydrophobicContact CB-CG1 3.97Å; L118-I120 HydrophobicContact CD1-CD1 4.12Å; L118-I120 PolarHBondContact O-N 3.18Å; L118-R173 HydrophobicContact CD1-CB 4.08Å; L118-E176 WeakPolarHBondContact CD2-OE2 3.47Å; L118-F177 HydrophobicContact CD1-CD1 4.39Å; L118-F177 HydrophobicContact CD1-CE1 4.1Å |
| 119 | G | 90.2 | Very high | 90 | Very high | 64 Ų | 64 | 69.4 Ų | 69.4 | 66% | 0.66 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68 | 25.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | R115 D116 K117 | R115-G119 PolarHBondContact O-N 3.3Å; R115-G119 VanDerWaalsContact O-N 3.09Å; D116-G119 PolarHBondContact O-N 2.77Å; K117-G119 VanDerWaalsContact C-N 3.33Å |
| 120 | I | 92.3 | Very high | 90.1 | Very high | 15 Ų | 15 | 69 Ų | 69 | 8% | 0.077 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -84.5 | 124 | -178.2 | -56.8 | 165.1 | 0 | 0 | 0 | 109.2 | R115 L118 E169 A170 | R115-I120 VanDerWaalsContact CD-O 3.28Å; R115-I120 WeakPolarHBondContact CD-O 3.39Å; R115-I120 HydrophobicContact CG-CB 3.84Å; R115-I120 HydrophobicContact CG-CG2 4.37Å; R115-I120 WeakPolarHBondContact CG-O 3.49Å; R115-I120 PolarHBondContact NH1-O 2.77Å; R115-I120 PolarHBondContact O-N 3.2Å; L118-I120 VanDerWaalsContact C-N 3.29Å; L118-I120 HydrophobicContact CB-CD1 3.86Å; L118-I120 HydrophobicContact CB-CG1 3.97Å; L118-I120 HydrophobicContact CD1-CD1 4.12Å; L118-I120 PolarHBondContact O-N 3.18Å; I120-E169 HydrophobicContact CD1-CB 4.38Å; I120-E169 HydrophobicContact CD1-CG 4.07Å; I120-E169 HydrophobicContact CG2-CB 4.27Å; I120-A170 HydrophobicContact CD1-CB 4.03Å |
| 121 | T | 92.1 | Very high | 90.2 | Very high | 117 Ų | 117 | 66.8 Ų | 66.8 | 72% | 0.718 | 35% | 0.354 | S | S | * | . | P | Polyproline II helix | trans | -74.7 | 156.4 | -178.3 | 53.4 | 0 | 0 | 0 | 0 | 112.3 | R115 | R115-T121 PolarHBondContact NH1-O 2.97Š|
| 122 | W | 93.1 | Very high | 90.3 | Very high | 57 Ų | 57 | 72.4 Ų | 72.4 | 22% | 0.216 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 146.7 | 173.5 | -67.5 | 96.3 | 0 | 0 | 0 | 109.2 | V112 R115 S124 N127 L161 I167 | V112-W122 HydrophobicContact CG1-CH2 4.32Å; V112-W122 HydrophobicContact CG1-CZ2 4.29Å; V112-W122 HydrophobicContact CG2-CH2 4.37Å; R115-W122 VanDerWaalsContact NH1-CG 3.27Å; W122-S124 WeakPolarHBondContact CB-O 3.38Å; W122-N127 HydrophobicContact CD2-CB 4.07Å; W122-N127 HydrophobicContact CE3-CB 3.19Å; W122-N127 HydrophobicContact CZ3-CB 3.55Å; W122-L161 HydrophobicContact CE3-CD2 4.43Å; W122-L161 HydrophobicContact CH2-CD2 3.44Å; W122-L161 VanDerWaalsContact CH2-CD2 3.44Å; W122-L161 HydrophobicContact CZ3-CD2 3.24Å; W122-I167 HydrophobicContact CH2-CD1 4.11Å; W122-I167 HydrophobicContact CH2-CG1 4.46Å; W122-I167 HydrophobicContact CZ3-CD1 4.11Å; W122-I167 HydrophobicContact CZ3-CG1 3.97Å |
| 123 | Q | 91.4 | Very high | 90.3 | Very high | 136 Ų | 136 | 75 Ų | 75 | 64% | 0.636 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -75.1 | -44.1 | 168.5 | -174.7 | -175.5 | 4.5 | 0 | 0 | 110 | D164 A165 | Q123-D164 WeakPolarHBondContact CB-OD2 3.31Å; Q123-D164 PolarHBondContact N-OD2 3.19Å; Q123-A165 HydrophobicContact CB-CB 4.09Å; Q123-A165 HydrophobicContact CG-CB 4.25Å; Q123-A165 VanDerWaalsContact OE1-CB 3.31Å |
| 124 | S | 88 | Confident | 90.2 | Very high | 39 Ų | 39 | 72.4 Ų | 72.4 | 27% | 0.273 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -114.1 | 128.4 | 172.4 | 177.5 | 0 | 0 | 0 | 0 | 110.2 | W122 E126 N127 D164 | W122-S124 WeakPolarHBondContact CB-O 3.38Å; S124-E126 PolarHBondContact O-N 2.9Å; S124-E126 PolarHBondContact OG-N 3.49Å; S124-N127 WeakPolarHBondContact O-CB 3.44Å; S124-N127 PolarHBondContact O-N 3Å; S124-N127 VanDerWaalsContact O-N 3.08Å; S124-D164 PolarHBondContact N-OD2 2.9Å |
| 125 | C | 85.1 | Confident | 90.3 | Very high | 101 Ų | 101 | 75.5 Ų | 75.5 | 68% | 0.682 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -22.7 | 176.1 | 58.7 | 0 | 0 | 0 | 0 | 112.8 | N127 E128 | C125-N127 PolarHBondContact O-N 3.43Å; C125-E128 VanDerWaalsContact O-CB 3.28Å; C125-E128 WeakPolarHBondContact O-CB 3.5Å; C125-E128 PolarHBondContact O-N 3.32Å |
| 126 | E | 86.7 | Confident | 90 | Very high | 138 Ų | 138 | 78.8 Ų | 78.8 | 65% | 0.645 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -66.2 | -27.1 | 175.8 | -63.1 | 172.9 | 170.9 | 0 | 0 | 112.4 | S124 E128 K129 | S124-E126 PolarHBondContact O-N 2.9Å; S124-E126 PolarHBondContact OG-N 3.49Å; E126-E128 PolarHBondContact O-N 2.85Å; E126-K129 PolarHBondContact O-N 2.78Å |
| 127 | N | 90.5 | Very high | 89.8 | Confident | 18 Ų | 18 | 73.7 Ų | 73.7 | 10% | 0.096 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -70.5 | -15.8 | 178.2 | -73.4 | -28.5 | 0 | 0 | 0 | 112.7 | W122 S124 C125 K129 Q130 G131 L161 D164 | W122-N127 HydrophobicContact CD2-CB 4.07Å; W122-N127 HydrophobicContact CE3-CB 3.19Å; W122-N127 HydrophobicContact CZ3-CB 3.55Å; S124-N127 WeakPolarHBondContact O-CB 3.44Å; S124-N127 PolarHBondContact O-N 3Å; S124-N127 VanDerWaalsContact O-N 3.08Å; C125-N127 PolarHBondContact O-N 3.43Å; N127-K129 VanDerWaalsContact C-N 3.32Å; N127-K129 PolarHBondContact O-N 3.43Å; N127-Q130 PolarHBondContact O-N 3.49Å; N127-G131 PolarHBondContact O-N 3.38Å; N127-L161 HydrophobicContact CB-CD2 4.26Å; N127-D164 WeakPolarHBondContact ND2-CB 3.46Å; N127-D164 PolarHBondContact ND2-OD2 3.32Å |
| 128 | E | 91.1 | Very high | 89 | Confident | 106 Ų | 106 | 74.5 Ų | 74.5 | 50% | 0.495 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.1 | -42.5 | 171.3 | -172.4 | 171.2 | -165 | 0 | 0 | 111.2 | C125 E126 Q130 G131 M132 | C125-E128 VanDerWaalsContact O-CB 3.28Å; C125-E128 WeakPolarHBondContact O-CB 3.5Å; C125-E128 PolarHBondContact O-N 3.32Å; E126-E128 PolarHBondContact O-N 2.85Å; E128-Q130 VanDerWaalsContact C-N 3.34Å; E128-Q130 PolarHBondContact O-N 3.22Å; E128-G131 PolarHBondContact O-N 3.37Å; E128-M132 HydrophobicContact CG-CE 4.48Å; E128-M132 WeakPolarHBondContact O-CG 3.33Å; E128-M132 PolarHBondContact O-N 3.27Å |
| 129 | K | 92.1 | Very high | 87.9 | Confident | 153 Ų | 153 | 73.8 Ų | 73.8 | 67% | 0.665 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -63.9 | -40.2 | 175.1 | -63.1 | 177.6 | -177.6 | 173.1 | 0 | 111.6 | E126 N127 G131 M132 L133 | E126-K129 PolarHBondContact O-N 2.78Å; N127-K129 VanDerWaalsContact C-N 3.32Å; N127-K129 PolarHBondContact O-N 3.43Å; K129-G131 VanDerWaalsContact C-N 3.34Å; K129-M132 HydrophobicContact CG-CE 4.34Å; K129-M132 PolarHBondContact O-N 3.09Å; K129-L133 PolarHBondContact O-N 3.07Å |
| 130 | Q | 91.2 | Very high | 86.8 | Confident | 62 Ų | 62 | 76.1 Ų | 76.1 | 29% | 0.29 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -66.1 | -38.9 | 176.3 | -54.8 | -57 | -26.8 | 0 | 0 | 111.4 | N127 E128 L133 V134 A157 A160 L161 | N127-Q130 PolarHBondContact O-N 3.49Å; E128-Q130 VanDerWaalsContact C-N 3.34Å; E128-Q130 PolarHBondContact O-N 3.22Å; Q130-L133 PolarHBondContact O-N 3.1Å; Q130-V134 PolarHBondContact O-N 3.22Å; Q130-A157 HydrophobicContact CB-CB 4.17Å; Q130-A160 HydrophobicContact CG-CB 4.45Å; Q130-L161 HydrophobicContact CB-CD1 4.39Å; Q130-L161 HydrophobicContact CB-CD2 3.99Å; Q130-L161 HydrophobicContact CB-CG 3.96Å |
| 131 | G | 90.1 | Very high | 84.6 | Confident | 2 Ų | 2 | 82.8 Ų | 82.8 | 2% | 0.021 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -61.9 | -46.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | N127 E128 K129 L133 V134 M135 | N127-G131 PolarHBondContact O-N 3.38Å; E128-G131 PolarHBondContact O-N 3.37Å; K129-G131 VanDerWaalsContact C-N 3.34Å; G131-L133 PolarHBondContact O-N 2.86Å; G131-V134 PolarHBondContact O-N 3.31Å; G131-M135 WeakPolarHBondContact O-CB 3.29Å; G131-M135 VanDerWaalsContact O-CG 3.25Å; G131-M135 WeakPolarHBondContact O-CG 3.23Å; G131-M135 PolarHBondContact O-N 3.38Å |
| 132 | M | 90.9 | Very high | 82.6 | Confident | 117 Ų | 117 | 80 Ų | 80 | 58% | 0.576 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -60.9 | -42.4 | 175 | -72.8 | -168.9 | -74.6 | 0 | 0 | 112.4 | E128 K129 V134 M135 S136 | E128-M132 HydrophobicContact CG-CE 4.48Å; E128-M132 WeakPolarHBondContact O-CG 3.33Å; E128-M132 PolarHBondContact O-N 3.27Å; K129-M132 HydrophobicContact CG-CE 4.34Å; K129-M132 PolarHBondContact O-N 3.09Å; M132-V134 VanDerWaalsContact C-N 3.35Å; M132-V134 PolarHBondContact O-N 3.4Å; M132-M135 PolarHBondContact O-N 2.84Å; M132-S136 PolarHBondContact O-N 3.43Å |
| 133 | L | 90.8 | Very high | 80.5 | Confident | 69 Ų | 69 | 84.4 Ų | 84.4 | 36% | 0.361 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -60.1 | -42.8 | 175.8 | 177.5 | 63.1 | 0 | 0 | 0 | 112.1 | K129 Q130 G131 M135 S136 Y154 A157 | K129-L133 PolarHBondContact O-N 3.07Å; Q130-L133 PolarHBondContact O-N 3.1Å; G131-L133 PolarHBondContact O-N 2.86Å; L133-M135 VanDerWaalsContact C-N 3.34Å; L133-S136 PolarHBondContact O-OG 2.85Å; L133-Y154 HydrophobicContact CD1-CE1 4.41Å; L133-Y154 HydrophobicContact CG-CD1 4.38Å; L133-Y154 HydrophobicContact CG-CE1 4.34Å; L133-A157 HydrophobicContact CD2-CB 4.01Å |
| 134 | V | 89.3 | Confident | 78.8 | Confident | 0 Ų | 0 | 82.1 Ų | 82.1 | 0% | 0 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -70.4 | -33.5 | 176.7 | 171 | 0 | 0 | 0 | 0 | 111.5 | M108 R109 Q130 G131 M132 W137 Y154 A157 L158 L161 | M108-V134 HydrophobicContact CB-CG1 3.99Å; M108-V134 HydrophobicContact CG-CG1 3.95Å; R109-V134 VanDerWaalsContact CD-O 3.28Å; R109-V134 WeakPolarHBondContact CD-O 3.31Å; R109-V134 HydrophobicContact CG-CG1 3.64Å; R109-V134 WeakPolarHBondContact CG-O 3.49Å; Q130-V134 PolarHBondContact O-N 3.22Å; G131-V134 PolarHBondContact O-N 3.31Å; M132-V134 VanDerWaalsContact C-N 3.35Å; M132-V134 PolarHBondContact O-N 3.4Å; V134-W137 WeakPolarHBondContact O-CB 3.44Å; V134-W137 PolarHBondContact O-N 2.96Å; V134-Y154 HydrophobicContact CG2-CD1 4.49Å; V134-A157 HydrophobicContact CG2-CB 4.16Å; V134-L158 HydrophobicContact CG2-CD2 4.35Å; V134-L161 HydrophobicContact CB-CD1 4.18Å; V134-L161 HydrophobicContact CG2-CD1 3.65Å |
| 135 | M | 88.6 | Confident | 77.8 | Confident | 69 Ų | 69 | 84.8 Ų | 84.8 | 34% | 0.34 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -72.1 | -29.6 | 178.2 | -73.1 | -65.5 | -84.9 | 0 | 0 | 113.5 | R109 V112 D113 G131 M132 L133 W137 | R109-M135 HydrophobicContact CB-SD 3.98Å; R109-M135 HydrophobicContact CG-SD 4.05Å; R109-M135 PolarHBondContact NH2-O 3.3Å; V112-M135 HydrophobicContact CB-CG 4.46Å; V112-M135 HydrophobicContact CB-SD 4.48Å; V112-M135 HydrophobicContact CG1-CG 3.94Å; V112-M135 HydrophobicContact CG1-SD 4.44Å; D113-M135 HydrophobicContact CB-CE 4.23Å; G131-M135 WeakPolarHBondContact O-CB 3.29Å; G131-M135 VanDerWaalsContact O-CG 3.25Å; G131-M135 WeakPolarHBondContact O-CG 3.23Å; G131-M135 PolarHBondContact O-N 3.38Å; M132-M135 PolarHBondContact O-N 2.84Å; L133-M135 VanDerWaalsContact C-N 3.34Å; M135-W137 PolarHBondContact O-N 2.91Å |
| 136 | S | 88.1 | Confident | 77.2 | Confident | 75 Ų | 75 | 80.7 Ų | 80.7 | 52% | 0.524 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -12.8 | 176 | 71.5 | 0 | 0 | 0 | 0 | 113.6 | M132 L133 E138 | M132-S136 PolarHBondContact O-N 3.43Å; L133-S136 PolarHBondContact O-OG 2.85Å; S136-E138 PolarHBondContact O-N 3.43Å |
| 137 | W | 86.3 | Confident | 76.6 | Confident | 16 Ų | 16 | 78.3 Ų | 78.3 | 6% | 0.061 | 42% | 0.419 | C | S | . | . | trans | -64.2 | 103.6 | 171.5 | 177.6 | 78.7 | 0 | 0 | 0 | 110 | E102 L105 K106 R109 V134 M135 G139 L146 Y154 | E102-W137 HydrophobicContact CG-CH2 3.67Å; E102-W137 HydrophobicContact CG-CZ2 4.05Å; L105-W137 HydrophobicContact CB-CD2 4Å; L105-W137 HydrophobicContact CB-CE3 3.98Å; L105-W137 HydrophobicContact CB-CH2 4.43Å; L105-W137 HydrophobicContact CB-CZ2 4.44Å; L105-W137 HydrophobicContact CB-CZ3 4.22Å; L105-W137 HydrophobicContact CD1-CD2 3.97Å; L105-W137 HydrophobicContact CD1-CG 4.09Å; L105-W137 HydrophobicContact CD1-CZ2 4.15Å; K106-W137 HydrophobicContact CG-CH2 3.92Å; K106-W137 HydrophobicContact CG-CZ3 3.61Å; R109-W137 PolarHBondContact NH1-O 3.11Å; V134-W137 WeakPolarHBondContact O-CB 3.44Å; V134-W137 PolarHBondContact O-N 2.96Å; M135-W137 PolarHBondContact O-N 2.91Å; W137-G139 VanDerWaalsContact CH2-CA 3.49Å; W137-L146 HydrophobicContact CZ2-CD1 4.15Å; W137-Y154 HydrophobicContact CB-CE1 4Å; W137-Y154 AromaticContact CD1-CZ 3.88Å | ||
| 138 | E | 72.8 | Confident | 75.9 | Confident | 165 Ų | 165 | 79.6 Ų | 79.6 | 77% | 0.771 | 43% | 0.428 | S | S | * | . | P | Polyproline II helix | trans | -82 | 118.5 | 171.7 | -68.5 | -177.9 | 166.3 | 0 | 0 | 109.3 | S136 R140 | S136-E138 PolarHBondContact O-N 3.43Å; E138-R140 PolarHBondContact O-N 3.49Å |
| 139 | G | 65.9 | Low | 75.1 | Confident | 31 Ų | 31 | 78.6 Ų | 78.6 | 32% | 0.32 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 126.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110 | W137 V141 | W137-G139 VanDerWaalsContact CH2-CA 3.49Å; G139-V141 PolarHBondContact O-N 2.91Å |
| 140 | R | 65.4 | Low | 74.6 | Confident | 112 Ų | 112 | 74.4 Ų | 74.4 | 42% | 0.423 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -71.3 | 122.8 | 179.5 | -58.9 | -169.8 | -161.3 | -137 | 10.2 | 109.9 | E138 G142 E150 | E138-R140 PolarHBondContact O-N 3.49Å; R140-G142 PolarHBondContact O-N 3.46Å; R140-E150 IonicContact CZ-OE1 3.5Å; R140-E150 IonicContact CZ-OE2 2.78Å; R140-E150 IonicContact NH2-OE1 2.68Å; R140-E150 PolarHBondContact NH2-OE1 2.9Å; R140-E150 IonicContact NH2-OE2 2.71Å; R140-E150 PolarHBondContact NH2-OE2 3.35Å |
| 141 | V | 46.3 | Very low | 74.2 | Confident | 156 Ų | 156 | 71.5 Ų | 71.5 | 95% | 0.945 | 40% | 0.402 | S | S | * | . | trans | -88.6 | 98 | 170.2 | 178.6 | 0 | 0 | 0 | 0 | 107.9 | G139 | G139-V141 PolarHBondContact O-N 2.91Š| ||
| 142 | G | 51 | Low | 73.7 | Confident | 59 Ų | 59 | 76.6 Ų | 76.6 | 61% | 0.608 | 43% | 0.425 | S | S | * | . | S | Bend | trans | 143.7 | -167.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | R140 T144 | R140-G142 PolarHBondContact O-N 3.46Å; G142-T144 VanDerWaalsContact C-N 3.27Å; G142-T144 PolarHBondContact O-N 3.36Å |
| 143 | T | 48.2 | Very low | 73.4 | Confident | 149 Ų | 149 | 77.2 Ų | 77.2 | 91% | 0.914 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -77.1 | 4.7 | -171.8 | -2 | 0 | 0 | 0 | 0 | 115.4 | R145 | T143-R145 PolarHBondContact O-N 3.46Š|
| 144 | T | 57 | Low | 73.2 | Confident | 87 Ų | 87 | 75.7 Ų | 75.7 | 53% | 0.534 | 42% | 0.42 | S | S | . | . | trans | -81.7 | 115 | -175.7 | -28 | 0 | 0 | 0 | 0 | 110.1 | G142 | G142-T144 VanDerWaalsContact C-N 3.27Å; G142-T144 PolarHBondContact O-N 3.36Å | ||
| 145 | R | 65.8 | Low | 72.9 | Confident | 96 Ų | 96 | 76.8 Ų | 76.8 | 36% | 0.362 | 43% | 0.427 | S | S | . | . | trans | -66.7 | 143.2 | 179.2 | -66.9 | -175.2 | 165.9 | 166.3 | -8.6 | 110.7 | D95 D98 T143 E147 | D95-R145 IonicContact OD1-CZ 3.55Å; D95-R145 IonicContact OD1-NE 2.7Å; D95-R145 IonicContact OD1-NH2 3.81Å; D95-R145 PolarHBondContact OD1-NH2 3.5Å; D98-R145 VanDerWaalsContact OD2-CB 3.3Å; D98-R145 WeakPolarHBondContact OD2-CB 3.39Å; D98-R145 WeakPolarHBondContact OD2-CD 3.4Å; D98-R145 WeakPolarHBondContact OD2-CG 3.18Å; D98-R145 IonicContact OD2-NE 2.57Å; T143-R145 PolarHBondContact O-N 3.46Å; R145-E147 PolarHBondContact O-N 2.86Å | ||
| 146 | L | 72.2 | Confident | 72.6 | Confident | 15 Ų | 15 | 81 Ų | 81 | 8% | 0.079 | 45% | 0.447 | C | S | . | . | trans | -86.5 | 106.2 | 173.6 | -164.2 | 141 | 0 | 0 | 0 | 108.3 | Y101 L105 W137 F151 | Y101-L146 HydrophobicContact CD2-CD2 3.62Å; Y101-L146 HydrophobicContact CG-CD2 4.07Å; L105-L146 HydrophobicContact CD1-CD1 4.03Å; W137-L146 HydrophobicContact CZ2-CD1 4.15Å; L146-F151 HydrophobicContact CD2-CB 3.65Å; L146-F151 HydrophobicContact CD2-CD2 4.25Å; L146-F151 HydrophobicContact CD2-CG 4.4Å | ||
| 147 | E | 74.8 | Confident | 72.6 | Confident | 87 Ų | 87 | 77.4 Ų | 77.4 | 41% | 0.407 | 42% | 0.423 | S | S | . | . | trans | -70.3 | 148.9 | -175.7 | -71.8 | -59.2 | 150.5 | 0 | 0 | 111.4 | R145 S149 E150 F151 | R145-E147 PolarHBondContact O-N 2.86Å; E147-S149 PolarHBondContact O-N 3.44Å; E147-E150 HydrophobicContact CB-CG 4.36Å; E147-E150 WeakPolarHBondContact O-CB 3.28Å; E147-E150 PolarHBondContact O-N 2.81Å; E147-F151 PolarHBondContact O-N 3.04Å; E147-F151 VanDerWaalsContact O-N 3.15Å | ||
| 148 | P | 75.1 | Confident | 72.6 | Confident | 46 Ų | 46 | 76.7 Ų | 76.7 | 30% | 0.299 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -56.3 | -35.4 | 179.8 | -26.4 | 35.4 | 0 | 0 | 0 | 113.9 | R97 E150 F151 Q152 | R97-P148 VanDerWaalsContact NH1-CG 3.34Å; P148-E150 VanDerWaalsContact C-N 3.34Å; P148-F151 PolarHBondContact O-N 3.27Å; P148-Q152 WeakPolarHBondContact O-CB 3.29Å; P148-Q152 PolarHBondContact O-N 2.85Å |
| 149 | S | 76.1 | Confident | 73.2 | Confident | 85 Ų | 85 | 70.4 Ų | 70.4 | 59% | 0.594 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -63.5 | -38.5 | 177.2 | 48.2 | 0 | 0 | 0 | 0 | 112.4 | E147 Q152 | E147-S149 PolarHBondContact O-N 3.44Å; S149-Q152 WeakPolarHBondContact O-CB 3.44Å; S149-Q152 PolarHBondContact O-N 2.9Å |
| 150 | E | 80.6 | Confident | 74.2 | Confident | 64 Ų | 64 | 70.2 Ų | 70.2 | 30% | 0.299 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -68.7 | -42.8 | 176 | -61.4 | -175.9 | 162.4 | 0 | 0 | 111.1 | R140 E147 P148 Q152 L153 Y154 | R140-E150 IonicContact CZ-OE1 3.5Å; R140-E150 IonicContact CZ-OE2 2.78Å; R140-E150 IonicContact NH2-OE1 2.68Å; R140-E150 PolarHBondContact NH2-OE1 2.9Å; R140-E150 IonicContact NH2-OE2 2.71Å; R140-E150 PolarHBondContact NH2-OE2 3.35Å; E147-E150 HydrophobicContact CB-CG 4.36Å; E147-E150 WeakPolarHBondContact O-CB 3.28Å; E147-E150 PolarHBondContact O-N 2.81Å; P148-E150 VanDerWaalsContact C-N 3.34Å; E150-Q152 VanDerWaalsContact C-N 3.28Å; E150-Q152 PolarHBondContact O-N 3.37Å; E150-L153 WeakPolarHBondContact O-CB 3.34Å; E150-L153 PolarHBondContact O-N 2.95Å; E150-Y154 VanDerWaalsContact O-CD2 3.23Å; E150-Y154 WeakPolarHBondContact O-CD2 3.4Å; E150-Y154 WeakPolarHBondContact O-CE2 3.38Å |
| 151 | F | 82.3 | Confident | 75.4 | Confident | 1 Ų | 1 | 64.9 Ų | 64.9 | 0% | 0.004 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61.9 | -38.4 | 175.7 | -173.2 | -107.1 | 0 | 0 | 0 | 111.9 | Y101 I104 L105 L146 E147 P148 L153 Y154 V155 L158 I198 | Y101-F151 HydrophobicContact CD1-CB 4.38Å; Y101-F151 AromaticContact CD1-CD1 3.64Å; Y101-F151 HydrophobicContact CD1-CD1 3.64Å; Y101-F151 AromaticContact CD1-CD2 3.75Å; Y101-F151 HydrophobicContact CD1-CD2 3.75Å; Y101-F151 AromaticContact CD1-CE1 3.75Å; Y101-F151 HydrophobicContact CD1-CE1 3.75Å; Y101-F151 AromaticContact CD1-CE2 3.85Å; Y101-F151 HydrophobicContact CD1-CE2 3.85Å; Y101-F151 AromaticContact CD1-CG 3.64Å; Y101-F151 HydrophobicContact CD1-CG 3.64Å; Y101-F151 AromaticContact CD1-CZ 3.85Å; Y101-F151 HydrophobicContact CD1-CZ 3.85Å; Y101-F151 HydrophobicContact CD2-CB 3.81Å; Y101-F151 HydrophobicContact CD2-CD2 4.27Å; Y101-F151 AromaticContact CD2-CG 3.95Å; Y101-F151 HydrophobicContact CD2-CG 3.95Å; Y101-F151 AromaticContact CE1-CD1 3.59Å; Y101-F151 HydrophobicContact CE1-CD1 3.59Å; Y101-F151 HydrophobicContact CE1-CD2 4.5Å; Y101-F151 AromaticContact CE1-CE1 3.82Å; Y101-F151 HydrophobicContact CE1-CE1 3.82Å; Y101-F151 AromaticContact CE1-CG 3.96Å; Y101-F151 HydrophobicContact CE1-CG 3.96Å; Y101-F151 HydrophobicContact CE1-CZ 4.38Å; Y101-F151 HydrophobicContact CE2-CB 3.94Å; Y101-F151 HydrophobicContact CE2-CD1 4.44Å; Y101-F151 HydrophobicContact CE2-CG 4.21Å; Y101-F151 HydrophobicContact CG-CB 4.02Å; Y101-F151 HydrophobicContact CG-CD1 4.13Å; Y101-F151 AromaticContact CG-CD2 3.61Å; Y101-F151 HydrophobicContact CG-CD2 3.61Å; Y101-F151 HydrophobicContact CG-CE2 4.07Å; Y101-F151 AromaticContact CG-CG 3.64Å; Y101-F151 HydrophobicContact CG-CG 3.64Å; Y101-F151 AromaticContact CZ-CD1 3.99Å; I104-F151 HydrophobicContact CB-CE2 4.28Å; I104-F151 HydrophobicContact CB-CZ 4.36Å; I104-F151 HydrophobicContact CD1-CE2 4.35Å; I104-F151 HydrophobicContact CD1-CZ 3.8Å; I104-F151 HydrophobicContact CG2-CE2 4.33Å; I104-F151 HydrophobicContact CG2-CZ 4.18Å; L105-F151 HydrophobicContact CD1-CD2 4.19Å; L105-F151 HydrophobicContact CD1-CE2 4.5Å; L105-F151 HydrophobicContact CD2-CE2 4.49Å; L105-F151 HydrophobicContact CG-CD2 4.33Å; L105-F151 HydrophobicContact CG-CE2 4.15Å; L146-F151 HydrophobicContact CD2-CB 3.65Å; L146-F151 HydrophobicContact CD2-CD2 4.25Å; L146-F151 HydrophobicContact CD2-CG 4.4Å; E147-F151 PolarHBondContact O-N 3.04Å; E147-F151 VanDerWaalsContact O-N 3.15Å; P148-F151 PolarHBondContact O-N 3.27Å; F151-L153 PolarHBondContact O-N 3.44Å; F151-Y154 PolarHBondContact O-N 3.35Å; F151-V155 HydrophobicContact CD1-CG2 3.94Å; F151-V155 HydrophobicContact CE1-CG2 3.86Å; F151-V155 PolarHBondContact O-N 2.94Å; F151-L158 HydrophobicContact CE2-CD1 4.02Å; F151-L158 HydrophobicContact CZ-CD1 3.91Å; F151-I198 HydrophobicContact CD1-CD1 4.14Å; F151-I198 HydrophobicContact CE1-CD1 3.9Å |
| 152 | Q | 80.6 | Confident | 77.4 | Confident | 109 Ų | 109 | 58.2 Ų | 58.2 | 51% | 0.509 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -56.3 | -33.9 | -179.1 | -171.6 | 62.6 | 30.1 | 0 | 0 | 112.7 | P148 S149 E150 Y154 V155 | P148-Q152 WeakPolarHBondContact O-CB 3.29Å; P148-Q152 PolarHBondContact O-N 2.85Å; S149-Q152 WeakPolarHBondContact O-CB 3.44Å; S149-Q152 PolarHBondContact O-N 2.9Å; E150-Q152 VanDerWaalsContact C-N 3.28Å; E150-Q152 PolarHBondContact O-N 3.37Å; Q152-Y154 PolarHBondContact O-N 3.4Å; Q152-V155 PolarHBondContact O-N 3.45Å; Q152-V155 VanDerWaalsContact O-N 3.17Å |
| 153 | L | 84.8 | Confident | 79.2 | Confident | 130 Ų | 130 | 60.5 Ų | 60.5 | 68% | 0.681 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -60.4 | -28.6 | 177.1 | -61.7 | 173.4 | 0 | 0 | 0 | 112.8 | E150 F151 | E150-L153 WeakPolarHBondContact O-CB 3.34Å; E150-L153 PolarHBondContact O-N 2.95Å; F151-L153 PolarHBondContact O-N 3.44Å |
| 154 | Y | 85.4 | Confident | 81.2 | Confident | 37 Ų | 37 | 53.5 Ų | 53.5 | 15% | 0.145 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -93 | -12.7 | -179.1 | -60.1 | -86.3 | 0 | 0 | 0 | 113 | L105 L133 V134 W137 E150 F151 Q152 M156 A157 L158 | L105-Y154 HydrophobicContact CD1-CD2 4.47Å; L105-Y154 HydrophobicContact CD2-CD1 3.98Å; L105-Y154 HydrophobicContact CD2-CD2 4.15Å; L105-Y154 HydrophobicContact CD2-CG 3.67Å; L133-Y154 HydrophobicContact CD1-CE1 4.41Å; L133-Y154 HydrophobicContact CG-CD1 4.38Å; L133-Y154 HydrophobicContact CG-CE1 4.34Å; V134-Y154 HydrophobicContact CG2-CD1 4.49Å; W137-Y154 HydrophobicContact CB-CE1 4Å; W137-Y154 AromaticContact CD1-CZ 3.88Å; E150-Y154 VanDerWaalsContact O-CD2 3.23Å; E150-Y154 WeakPolarHBondContact O-CD2 3.4Å; E150-Y154 WeakPolarHBondContact O-CE2 3.38Å; F151-Y154 PolarHBondContact O-N 3.35Å; Q152-Y154 PolarHBondContact O-N 3.4Å; Y154-M156 PolarHBondContact O-N 3.34Å; Y154-A157 PolarHBondContact O-N 2.89Å; Y154-L158 WeakPolarHBondContact O-CB 3.19Å; Y154-L158 WeakPolarHBondContact O-CG 3.33Å; Y154-L158 PolarHBondContact O-N 2.69Å |
| 155 | V | 82.8 | Confident | 82.8 | Confident | 24 Ų | 24 | 51.7 Ų | 51.7 | 15% | 0.145 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.2 | -44.4 | -172 | 171.5 | 0 | 0 | 0 | 0 | 111.9 | F151 Q152 L158 S159 L191 | F151-V155 HydrophobicContact CD1-CG2 3.94Å; F151-V155 HydrophobicContact CE1-CG2 3.86Å; F151-V155 PolarHBondContact O-N 2.94Å; Q152-V155 PolarHBondContact O-N 3.45Å; Q152-V155 VanDerWaalsContact O-N 3.17Å; V155-L158 PolarHBondContact O-N 3.05Å; V155-S159 WeakPolarHBondContact O-CB 2.94Å; V155-S159 PolarHBondContact O-N 3.09Å; V155-L191 HydrophobicContact CG1-CD2 4.31Å |
| 156 | M | 83.5 | Confident | 84 | Confident | 156 Ų | 156 | 47.3 Ų | 47.3 | 77% | 0.768 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -64.1 | -44.4 | 177.7 | -69 | -175.6 | 68.2 | 0 | 0 | 111.7 | Y154 S159 A160 | Y154-M156 PolarHBondContact O-N 3.34Å; M156-S159 PolarHBondContact O-N 2.88Å; M156-A160 WeakPolarHBondContact O-CB 3Å; M156-A160 PolarHBondContact O-N 3.16Å |
| 157 | A | 87.3 | Confident | 84.9 | Confident | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.008 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.3 | -47.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q130 L133 V134 Y154 S159 A160 L161 | Q130-A157 HydrophobicContact CB-CB 4.17Å; L133-A157 HydrophobicContact CD2-CB 4.01Å; V134-A157 HydrophobicContact CG2-CB 4.16Å; Y154-A157 PolarHBondContact O-N 2.89Å; A157-S159 VanDerWaalsContact C-N 3.31Å; A157-S159 PolarHBondContact O-N 3.39Å; A157-A160 PolarHBondContact O-N 3.09Å; A157-L161 VanDerWaalsContact O-CB 3.27Å; A157-L161 WeakPolarHBondContact O-CB 3.41Å; A157-L161 WeakPolarHBondContact O-CG 3.44Å; A157-L161 PolarHBondContact O-N 3.41Å |
| 158 | L | 87.2 | Confident | 85.6 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59.8 | -40.7 | 177.8 | -70.8 | 170.2 | 0 | 0 | 0 | 111.9 | I104 L105 M108 V134 F151 Y154 V155 W162 L188 | I104-L158 HydrophobicContact CG2-CD1 3.76Å; I104-L158 HydrophobicContact CG2-CD2 4.19Å; L105-L158 HydrophobicContact CD2-CD1 4.16Å; L105-L158 HydrophobicContact CD2-CD2 4.41Å; M108-L158 HydrophobicContact CB-CD2 3.51Å; M108-L158 HydrophobicContact CE-CD2 4.12Å; M108-L158 WeakPolarHBondContact CE-O 3.09Å; M108-L158 HydrophobicContact CG-CD2 3.72Å; V134-L158 HydrophobicContact CG2-CD2 4.35Å; F151-L158 HydrophobicContact CE2-CD1 4.02Å; F151-L158 HydrophobicContact CZ-CD1 3.91Å; Y154-L158 WeakPolarHBondContact O-CB 3.19Å; Y154-L158 WeakPolarHBondContact O-CG 3.33Å; Y154-L158 PolarHBondContact O-N 2.69Å; V155-L158 PolarHBondContact O-N 3.05Å; L158-W162 WeakPolarHBondContact O-CB 3.35Å; L158-W162 PolarHBondContact O-N 3.46Å; L158-L188 HydrophobicContact CB-CD2 4.29Å |
| 159 | S | 84.7 | Confident | 86.2 | Confident | 33 Ų | 33 | 47.7 Ų | 47.7 | 23% | 0.231 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.8 | -50 | 177.4 | -171 | 0 | 0 | 0 | 0 | 111.7 | V155 M156 A157 L161 W162 M163 | V155-S159 WeakPolarHBondContact O-CB 2.94Å; V155-S159 PolarHBondContact O-N 3.09Å; M156-S159 PolarHBondContact O-N 2.88Å; A157-S159 VanDerWaalsContact C-N 3.31Å; A157-S159 PolarHBondContact O-N 3.39Å; S159-L161 PolarHBondContact O-N 3.2Å; S159-W162 PolarHBondContact O-N 3.06Å; S159-W162 VanDerWaalsContact O-N 3.15Å; S159-M163 PolarHBondContact O-N 3.18Å; S159-M163 VanDerWaalsContact O-N 3.07Å |
| 160 | A | 87.5 | Confident | 86.8 | Confident | 27 Ų | 27 | 43.7 Ų | 43.7 | 22% | 0.223 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60 | -44.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q130 M156 A157 W162 M163 D164 | Q130-A160 HydrophobicContact CG-CB 4.45Å; M156-A160 WeakPolarHBondContact O-CB 3Å; M156-A160 PolarHBondContact O-N 3.16Å; A157-A160 PolarHBondContact O-N 3.09Å; A160-W162 VanDerWaalsContact C-N 3.35Å; A160-W162 PolarHBondContact O-N 3.25Å; A160-M163 PolarHBondContact O-N 3.49Å; A160-D164 PolarHBondContact O-N 3.17Å |
| 161 | L | 90 | Very high | 87 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.9 | -39.1 | 175.5 | -70.3 | 174.3 | 0 | 0 | 0 | 112.1 | M108 V112 W122 N127 Q130 V134 A157 S159 M163 D164 I167 | M108-L161 HydrophobicContact CE-CB 3.99Å; M108-L161 HydrophobicContact CG-CD1 3.81Å; M108-L161 HydrophobicContact SD-CB 3.95Å; M108-L161 HydrophobicContact SD-CD1 4.29Å; V112-L161 HydrophobicContact CG2-CD1 4.18Å; W122-L161 HydrophobicContact CE3-CD2 4.43Å; W122-L161 HydrophobicContact CH2-CD2 3.44Å; W122-L161 VanDerWaalsContact CH2-CD2 3.44Å; W122-L161 HydrophobicContact CZ3-CD2 3.24Å; N127-L161 HydrophobicContact CB-CD2 4.26Å; Q130-L161 HydrophobicContact CB-CD1 4.39Å; Q130-L161 HydrophobicContact CB-CD2 3.99Å; Q130-L161 HydrophobicContact CB-CG 3.96Å; V134-L161 HydrophobicContact CB-CD1 4.18Å; V134-L161 HydrophobicContact CG2-CD1 3.65Å; A157-L161 VanDerWaalsContact O-CB 3.27Å; A157-L161 WeakPolarHBondContact O-CB 3.41Å; A157-L161 WeakPolarHBondContact O-CG 3.44Å; A157-L161 PolarHBondContact O-N 3.41Å; S159-L161 PolarHBondContact O-N 3.2Å; L161-M163 VanDerWaalsContact C-N 3.31Å; L161-M163 PolarHBondContact O-N 2.77Å; L161-D164 WeakPolarHBondContact O-CB 3.4Å; L161-D164 PolarHBondContact O-N 2.9Å; L161-I167 WeakPolarHBondContact O-CB 3.37Å; L161-I167 VanDerWaalsContact O-CG1 3.3Å; L161-I167 WeakPolarHBondContact O-CG1 3.38Å; L161-I167 WeakPolarHBondContact O-CG2 3.35Å |
| 162 | W | 89.3 | Confident | 86.9 | Confident | 16 Ų | 16 | 46 Ų | 46 | 6% | 0.061 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -68 | -31.8 | 178.4 | -170.2 | -116.5 | 0 | 0 | 0 | 112.4 | M108 L111 L158 S159 A160 D164 I167 Q168 Y171 I184 K185 L188 N189 | M108-W162 HydrophobicContact CE-CB 4.27Å; M108-W162 HydrophobicContact CE-CE3 4.39Å; L111-W162 HydrophobicContact CD1-CE3 4.46Å; L111-W162 HydrophobicContact CD1-CZ3 4.01Å; L158-W162 WeakPolarHBondContact O-CB 3.35Å; L158-W162 PolarHBondContact O-N 3.46Å; S159-W162 PolarHBondContact O-N 3.06Å; S159-W162 VanDerWaalsContact O-N 3.15Å; A160-W162 VanDerWaalsContact C-N 3.35Å; A160-W162 PolarHBondContact O-N 3.25Å; W162-D164 VanDerWaalsContact C-N 3.29Å; W162-I167 HydrophobicContact CE3-CG2 4.46Å; W162-Q168 VanDerWaalsContact CE2-NE2 3.25Å; W162-Q168 PolarHBondContact O-NE2 2.72Å; W162-Y171 HydrophobicContact CH2-CD1 4.04Å; W162-Y171 AromaticContact CH2-CD2 3.71Å; W162-Y171 HydrophobicContact CH2-CD2 3.71Å; W162-Y171 HydrophobicContact CH2-CE1 4.24Å; W162-Y171 AromaticContact CH2-CE2 3.89Å; W162-Y171 HydrophobicContact CH2-CE2 3.89Å; W162-Y171 AromaticContact CH2-CG 3.8Å; W162-Y171 HydrophobicContact CH2-CG 3.8Å; W162-Y171 AromaticContact CZ3-CD2 3.81Å; W162-Y171 HydrophobicContact CZ3-CD2 3.81Å; W162-Y171 HydrophobicContact CZ3-CE2 4.34Å; W162-Y171 HydrophobicContact CZ3-CG 4.01Å; W162-I184 HydrophobicContact CE3-CG2 4.29Å; W162-I184 HydrophobicContact CH2-CG2 4.18Å; W162-I184 HydrophobicContact CZ3-CG2 3.79Å; W162-K185 HydrophobicContact CZ2-CB 4.4Å; W162-L188 HydrophobicContact CB-CB 4.31Å; W162-L188 HydrophobicContact CB-CD1 4.06Å; W162-L188 HydrophobicContact CD2-CB 3.7Å; W162-L188 HydrophobicContact CD2-CD1 3.52Å; W162-L188 HydrophobicContact CD2-CG 4.27Å; W162-L188 HydrophobicContact CE3-CB 4.44Å; W162-L188 HydrophobicContact CE3-CD1 3.44Å; W162-L188 VanDerWaalsContact CE3-CD1 3.44Å; W162-L188 HydrophobicContact CG-CB 3.61Å; W162-L188 HydrophobicContact CG-CD1 3.82Å; W162-L188 HydrophobicContact CG-CG 4.29Å; W162-L188 HydrophobicContact CZ3-CD1 4.12Å; W162-N189 PolarHBondContact NE1-OD1 3.23Å; W162-N189 VanDerWaalsContact NE1-OD1 3.09Å |
| 163 | M | 87.3 | Confident | 86.8 | Confident | 107 Ų | 107 | 44.6 Ų | 44.6 | 53% | 0.527 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -75.6 | -16 | 175.6 | -67.5 | -167.1 | -65.3 | 0 | 0 | 113.7 | S159 A160 L161 A165 H192 | S159-M163 PolarHBondContact O-N 3.18Å; S159-M163 VanDerWaalsContact O-N 3.07Å; A160-M163 PolarHBondContact O-N 3.49Å; L161-M163 VanDerWaalsContact C-N 3.31Å; L161-M163 PolarHBondContact O-N 2.77Å; M163-A165 PolarHBondContact O-N 2.89Å; M163-H192 PolarHBondContact SD-CD2 2.7Å |
| 164 | D | 91.3 | Very high | 86.3 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | trans | -66.3 | 125.9 | -179.9 | -170.2 | -99.4 | 0 | 0 | 0 | 111.6 | R115 Q123 S124 N127 A160 L161 W162 G166 I167 Q168 | R115-D164 IonicContact NH2-OD1 3.73Å; R115-D164 PolarHBondContact NH2-OD1 2.8Å; R115-D164 VanDerWaalsContact NH2-OD1 3.15Å; Q123-D164 WeakPolarHBondContact CB-OD2 3.31Å; Q123-D164 PolarHBondContact N-OD2 3.19Å; S124-D164 PolarHBondContact N-OD2 2.9Å; N127-D164 WeakPolarHBondContact ND2-CB 3.46Å; N127-D164 PolarHBondContact ND2-OD2 3.32Å; A160-D164 PolarHBondContact O-N 3.17Å; L161-D164 WeakPolarHBondContact O-CB 3.4Å; L161-D164 PolarHBondContact O-N 2.9Å; W162-D164 VanDerWaalsContact C-N 3.29Å; D164-G166 PolarHBondContact O-N 3.41Å; D164-G166 WeakPolarHBondContact OD1-CA 3.28Å; D164-G166 PolarHBondContact OD1-N 3.18Å; D164-I167 HydrophobicContact CB-CB 4.19Å; D164-I167 HydrophobicContact CB-CG1 4.03Å; D164-I167 PolarHBondContact O-N 2.9Å; D164-I167 VanDerWaalsContact O-N 3.11Å; D164-I167 PolarHBondContact OD1-N 3.29Å; D164-Q168 PolarHBondContact O-N 3.4Å | ||
| 165 | A | 90 | Very high | 85.2 | Confident | 50 Ų | 50 | 40.1 Ų | 40.1 | 41% | 0.413 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -58.3 | -34.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q123 M163 Q168 E169 | Q123-A165 HydrophobicContact CB-CB 4.09Å; Q123-A165 HydrophobicContact CG-CB 4.25Å; Q123-A165 VanDerWaalsContact OE1-CB 3.31Å; M163-A165 PolarHBondContact O-N 2.89Å; A165-Q168 PolarHBondContact O-N 2.94Å; A165-E169 WeakPolarHBondContact O-CB 3.32Å; A165-E169 PolarHBondContact O-N 2.85Å |
| 166 | G | 91.3 | Very high | 84.5 | Confident | 3 Ų | 3 | 41.9 Ų | 41.9 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67.4 | -37.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | D164 E169 A170 | D164-G166 PolarHBondContact O-N 3.41Å; D164-G166 WeakPolarHBondContact OD1-CA 3.28Å; D164-G166 PolarHBondContact OD1-N 3.18Å; G166-E169 PolarHBondContact O-N 2.89Å; G166-A170 WeakPolarHBondContact O-CB 3.2Å; G166-A170 PolarHBondContact O-N 2.98Å |
| 167 | I | 91.6 | Very high | 84 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -70.2 | -39.3 | 172.5 | -64 | -62.3 | 0 | 0 | 0 | 111.4 | M108 L111 V112 R115 W122 L161 W162 D164 E169 A170 Y171 | M108-I167 HydrophobicContact SD-CG2 4.23Å; L111-I167 HydrophobicContact CB-CG2 4.34Å; L111-I167 HydrophobicContact CD1-CG2 4.2Å; V112-I167 HydrophobicContact CG2-CD1 4.17Å; R115-I167 HydrophobicContact CB-CD1 4.39Å; W122-I167 HydrophobicContact CH2-CD1 4.11Å; W122-I167 HydrophobicContact CH2-CG1 4.46Å; W122-I167 HydrophobicContact CZ3-CD1 4.11Å; W122-I167 HydrophobicContact CZ3-CG1 3.97Å; L161-I167 WeakPolarHBondContact O-CB 3.37Å; L161-I167 VanDerWaalsContact O-CG1 3.3Å; L161-I167 WeakPolarHBondContact O-CG1 3.38Å; L161-I167 WeakPolarHBondContact O-CG2 3.35Å; W162-I167 HydrophobicContact CE3-CG2 4.46Å; D164-I167 HydrophobicContact CB-CB 4.19Å; D164-I167 HydrophobicContact CB-CG1 4.03Å; D164-I167 PolarHBondContact O-N 2.9Å; D164-I167 VanDerWaalsContact O-N 3.11Å; D164-I167 PolarHBondContact OD1-N 3.29Å; I167-E169 VanDerWaalsContact C-N 3.32Å; I167-E169 PolarHBondContact O-N 3.11Å; I167-A170 PolarHBondContact O-N 3.05Å; I167-Y171 WeakPolarHBondContact O-CB 3.33Å; I167-Y171 PolarHBondContact O-N 3.35Å |
| 168 | Q | 89.3 | Confident | 83 | Confident | 62 Ų | 62 | 39.9 Ų | 39.9 | 29% | 0.29 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -63.9 | -36.8 | 174.1 | -72.4 | -60.3 | -41.4 | 0 | 0 | 112.2 | W162 D164 A165 Y171 T172 | W162-Q168 VanDerWaalsContact CE2-NE2 3.25Å; W162-Q168 PolarHBondContact O-NE2 2.72Å; D164-Q168 PolarHBondContact O-N 3.4Å; A165-Q168 PolarHBondContact O-N 2.94Å; Q168-Y171 CarbonylContact O-C 3.51Å; Q168-Y171 PolarHBondContact O-N 3.15Å; Q168-T172 PolarHBondContact O-N 2.9Å; Q168-T172 PolarHBondContact O-OG1 3.25Å |
| 169 | E | 87.3 | Confident | 82.1 | Confident | 95 Ų | 95 | 40 Ų | 40 | 44% | 0.444 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -66.5 | -48 | 173.8 | -172.3 | -176.9 | 157.4 | 0 | 0 | 111.2 | I120 A165 G166 I167 Y171 T172 R173 | I120-E169 HydrophobicContact CD1-CB 4.38Å; I120-E169 HydrophobicContact CD1-CG 4.07Å; I120-E169 HydrophobicContact CG2-CB 4.27Å; A165-E169 WeakPolarHBondContact O-CB 3.32Å; A165-E169 PolarHBondContact O-N 2.85Å; G166-E169 PolarHBondContact O-N 2.89Å; I167-E169 VanDerWaalsContact C-N 3.32Å; I167-E169 PolarHBondContact O-N 3.11Å; E169-Y171 PolarHBondContact O-N 3.01Å; E169-T172 WeakPolarHBondContact O-CA 3.48Å; E169-T172 WeakPolarHBondContact O-CB 3.28Å; E169-T172 PolarHBondContact O-N 2.84Å; E169-R173 PolarHBondContact O-N 3.21Å |
| 170 | A | 88.1 | Confident | 81 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57.2 | -40.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | R115 I120 G166 I167 T172 R173 R174 F177 | R115-A170 HydrophobicContact CB-CB 3.93Å; I120-A170 HydrophobicContact CD1-CB 4.03Å; G166-A170 WeakPolarHBondContact O-CB 3.2Å; G166-A170 PolarHBondContact O-N 2.98Å; I167-A170 PolarHBondContact O-N 3.05Å; A170-T172 PolarHBondContact O-N 3.37Å; A170-R173 CarbonylContact O-C 3.58Å; A170-R173 VanDerWaalsContact O-C 3.22Å; A170-R173 WeakPolarHBondContact O-CA 3.41Å; A170-R173 PolarHBondContact O-N 3.35Å; A170-R174 PolarHBondContact O-N 3.42Å; A170-F177 WeakPolarHBondContact O-CE1 3.5Å; A170-F177 WeakPolarHBondContact O-CZ 3.38Å |
| 171 | Y | 84.8 | Confident | 79.4 | Confident | 16 Ų | 16 | 39.5 Ų | 39.5 | 6% | 0.063 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.8 | -35 | 173.8 | -175.7 | -93.3 | 0 | 0 | 0 | 112.5 | L111 W162 I167 Q168 E169 R173 R174 L179 K185 | L111-Y171 HydrophobicContact CD1-CD2 4.28Å; L111-Y171 HydrophobicContact CD2-CD2 4.16Å; W162-Y171 HydrophobicContact CH2-CD1 4.04Å; W162-Y171 AromaticContact CH2-CD2 3.71Å; W162-Y171 HydrophobicContact CH2-CD2 3.71Å; W162-Y171 HydrophobicContact CH2-CE1 4.24Å; W162-Y171 AromaticContact CH2-CE2 3.89Å; W162-Y171 HydrophobicContact CH2-CE2 3.89Å; W162-Y171 AromaticContact CH2-CG 3.8Å; W162-Y171 HydrophobicContact CH2-CG 3.8Å; W162-Y171 AromaticContact CZ3-CD2 3.81Å; W162-Y171 HydrophobicContact CZ3-CD2 3.81Å; W162-Y171 HydrophobicContact CZ3-CE2 4.34Å; W162-Y171 HydrophobicContact CZ3-CG 4.01Å; I167-Y171 WeakPolarHBondContact O-CB 3.33Å; I167-Y171 PolarHBondContact O-N 3.35Å; Q168-Y171 CarbonylContact O-C 3.51Å; Q168-Y171 PolarHBondContact O-N 3.15Å; E169-Y171 PolarHBondContact O-N 3.01Å; Y171-R173 VanDerWaalsContact C-N 3.28Å; Y171-R173 PolarHBondContact O-N 3.45Å; Y171-R174 WeakPolarHBondContact O-CB 3.25Å; Y171-R174 WeakPolarHBondContact O-CD 3.48Å; Y171-R174 WeakPolarHBondContact O-CG 3.49Å; Y171-R174 PolarHBondContact O-N 3.15Å; Y171-R174 VanDerWaalsContact O-N 3.15Å; Y171-R174 PolarHBondContact O-NH1 3.23Å; Y171-L179 HydrophobicContact CD2-CD2 3.6Å; Y171-L179 HydrophobicContact CE2-CD2 3.73Å; Y171-K185 HydrophobicContact CE1-CD 4.42Å; Y171-K185 WeakPolarHBondContact OH-CB 3.5Å |
| 172 | T | 81.4 | Confident | 77.6 | Confident | 98 Ų | 98 | 41.3 Ų | 41.3 | 60% | 0.601 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -63 | -41.1 | 173.6 | -61.4 | 0 | 0 | 0 | 0 | 110.2 | Q168 E169 A170 R174 | Q168-T172 PolarHBondContact O-N 2.9Å; Q168-T172 PolarHBondContact O-OG1 3.25Å; E169-T172 WeakPolarHBondContact O-CA 3.48Å; E169-T172 WeakPolarHBondContact O-CB 3.28Å; E169-T172 PolarHBondContact O-N 2.84Å; A170-T172 PolarHBondContact O-N 3.37Å; T172-R174 VanDerWaalsContact C-N 3.25Å; T172-R174 PolarHBondContact O-N 3.11Å |
| 173 | R | 77.9 | Confident | 76.1 | Confident | 79 Ų | 79 | 40.5 Ų | 40.5 | 30% | 0.298 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | 13.7 | 174.2 | -64.6 | 178.4 | 66.5 | -176.3 | -0.4 | 114.5 | L118 E169 A170 Y171 S175 E176 F177 | L118-R173 HydrophobicContact CD1-CB 4.08Å; E169-R173 PolarHBondContact O-N 3.21Å; A170-R173 CarbonylContact O-C 3.58Å; A170-R173 VanDerWaalsContact O-C 3.22Å; A170-R173 WeakPolarHBondContact O-CA 3.41Å; A170-R173 PolarHBondContact O-N 3.35Å; Y171-R173 VanDerWaalsContact C-N 3.28Å; Y171-R173 PolarHBondContact O-N 3.45Å; R173-S175 PolarHBondContact O-N 3.35Å; R173-E176 WeakPolarHBondContact CB-OE1 3.45Å; R173-E176 IonicContact CZ-OE1 3.15Å; R173-E176 IonicContact CZ-OE2 3.26Å; R173-E176 IonicContact NE-OE1 3.58Å; R173-E176 PolarHBondContact NE-OE1 2.84Å; R173-E176 IonicContact NE-OE2 2.93Å; R173-E176 IonicContact NH2-OE1 2.78Å; R173-E176 PolarHBondContact NH2-OE1 3.47Å; R173-E176 IonicContact NH2-OE2 2.71Å; R173-E176 PolarHBondContact NH2-OE2 3.26Å; R173-E176 WeakPolarHBondContact O-CB 3.31Å; R173-E176 PolarHBondContact O-N 2.91Å; R173-F177 WeakPolarHBondContact O-CE1 3.34Å |
| 174 | R | 74.3 | Confident | 75 | Confident | 55 Ų | 55 | 35.5 Ų | 35.5 | 21% | 0.208 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -5.2 | 176.7 | 70 | -169 | 176.2 | -73.2 | 1.1 | 115.1 | A170 Y171 T172 E176 F177 L179 K181 | A170-R174 PolarHBondContact O-N 3.42Å; Y171-R174 WeakPolarHBondContact O-CB 3.25Å; Y171-R174 WeakPolarHBondContact O-CD 3.48Å; Y171-R174 WeakPolarHBondContact O-CG 3.49Å; Y171-R174 PolarHBondContact O-N 3.15Å; Y171-R174 VanDerWaalsContact O-N 3.15Å; Y171-R174 PolarHBondContact O-NH1 3.23Å; T172-R174 VanDerWaalsContact C-N 3.25Å; T172-R174 PolarHBondContact O-N 3.11Å; R174-E176 VanDerWaalsContact C-N 3.35Å; R174-F177 HydrophobicContact CB-CE2 4.39Å; R174-F177 HydrophobicContact CB-CZ 4.15Å; R174-F177 VanDerWaalsContact O-O 3.06Å; R174-L179 HydrophobicContact CB-CB 4.47Å; R174-L179 HydrophobicContact CB-CD2 4.02Å; R174-K181 HydrophobicContact CG-CD 4.23Å; R174-K181 VanDerWaalsContact O-CE 3.27Å; R174-K181 WeakPolarHBondContact O-CE 3.28Å; R174-K181 PolarHBondContact O-NZ 3.26Å |
| 175 | S | 61.4 | Low | 73.8 | Confident | 19 Ų | 19 | 39.1 Ų | 39.1 | 13% | 0.133 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -29.8 | 169.4 | 41.4 | 0 | 0 | 0 | 0 | 113.5 | R173 F177 P257 | R173-S175 PolarHBondContact O-N 3.35Å; S175-F177 VanDerWaalsContact C-N 3.3Å; S175-F177 PolarHBondContact O-N 3.42Å; S175-P257 CarbonylContact C-O 3.6Å; S175-P257 WeakPolarHBondContact CA-O 3.39Å; S175-P257 WeakPolarHBondContact CB-O 3.43Å; S175-P257 VanDerWaalsContact O-O 3.12Å |
| 176 | E | 69.1 | Low | 72.4 | Confident | 61 Ų | 61 | 42 Ų | 42 | 29% | 0.285 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -18.8 | -174.7 | -70.5 | 170.4 | -125.2 | 0 | 0 | 112.9 | L118 R173 R174 P259 | L118-E176 WeakPolarHBondContact CD2-OE2 3.47Å; R173-E176 WeakPolarHBondContact CB-OE1 3.45Å; R173-E176 IonicContact CZ-OE1 3.15Å; R173-E176 IonicContact CZ-OE2 3.26Å; R173-E176 IonicContact NE-OE1 3.58Å; R173-E176 PolarHBondContact NE-OE1 2.84Å; R173-E176 IonicContact NE-OE2 2.93Å; R173-E176 IonicContact NH2-OE1 2.78Å; R173-E176 PolarHBondContact NH2-OE1 3.47Å; R173-E176 IonicContact NH2-OE2 2.71Å; R173-E176 PolarHBondContact NH2-OE2 3.26Å; R173-E176 WeakPolarHBondContact O-CB 3.31Å; R173-E176 PolarHBondContact O-N 2.91Å; R174-E176 VanDerWaalsContact C-N 3.35Å; E176-P259 HydrophobicContact CG-CB 4.38Å; E176-P259 HydrophobicContact CG-CG 3.71Å |
| 177 | F | 73.1 | Confident | 71.1 | Confident | 35 Ų | 35 | 42 Ų | 42 | 15% | 0.154 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -140.6 | 167.6 | -175.7 | 56 | -89.4 | 0 | 0 | 0 | 113 | V110 L111 A114 L118 A170 R173 R174 S175 L179 | V110-F177 HydrophobicContact CG1-CD2 3.66Å; V110-F177 HydrophobicContact CG1-CE2 4.02Å; L111-F177 HydrophobicContact CD2-CE2 4Å; L111-F177 HydrophobicContact CD2-CZ 3.91Å; A114-F177 HydrophobicContact CB-CD1 3.53Å; A114-F177 HydrophobicContact CB-CD2 3.74Å; A114-F177 HydrophobicContact CB-CE1 3.43Å; A114-F177 VanDerWaalsContact CB-CE1 3.43Å; A114-F177 HydrophobicContact CB-CE2 3.63Å; A114-F177 HydrophobicContact CB-CG 3.68Å; A114-F177 HydrophobicContact CB-CZ 3.46Å; A114-F177 VanDerWaalsContact CB-CZ 3.46Å; L118-F177 HydrophobicContact CD1-CD1 4.39Å; L118-F177 HydrophobicContact CD1-CE1 4.1Å; A170-F177 WeakPolarHBondContact O-CE1 3.5Å; A170-F177 WeakPolarHBondContact O-CZ 3.38Å; R173-F177 WeakPolarHBondContact O-CE1 3.34Å; R174-F177 HydrophobicContact CB-CE2 4.39Å; R174-F177 HydrophobicContact CB-CZ 4.15Å; R174-F177 VanDerWaalsContact O-O 3.06Å; S175-F177 VanDerWaalsContact C-N 3.3Å; S175-F177 PolarHBondContact O-N 3.42Å; F177-L179 HydrophobicContact CD2-CB 4.17Å; F177-L179 HydrophobicContact CE2-CB 3.96Å; F177-L179 HydrophobicContact CE2-CD1 4.32Å; F177-L179 HydrophobicContact CE2-CD2 4.34Å; F177-L179 HydrophobicContact CE2-CG 4.44Å; F177-L179 PolarHBondContact O-N 2.88Å |
| 178 | Q | 65.8 | Low | 69.8 | Low | 80 Ų | 80 | 42.2 Ų | 42.2 | 37% | 0.374 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 87.2 | -174.4 | -64.4 | -63.4 | -22.8 | 0 | 0 | 111.8 | ||
| 179 | L | 67.9 | Low | 68.5 | Low | 3 Ų | 3 | 42.2 Ų | 42.2 | 2% | 0.016 | 20% | 0.201 | C | C | . | . | trans | -96.5 | 145.7 | 175.5 | -167.3 | 65.7 | 0 | 0 | 0 | 113.4 | G107 V110 L111 Y171 R174 F177 K181 I184 | G107-L179 WeakPolarHBondContact O-CD1 3.26Å; V110-L179 HydrophobicContact CB-CD1 3.93Å; V110-L179 HydrophobicContact CG1-CD1 3.78Å; L111-L179 HydrophobicContact CD1-CD2 4.32Å; L111-L179 HydrophobicContact CD2-CD1 4.24Å; L111-L179 HydrophobicContact CD2-CD2 3.7Å; L111-L179 HydrophobicContact CG-CD1 3.85Å; L111-L179 HydrophobicContact CG-CD2 4.03Å; Y171-L179 HydrophobicContact CD2-CD2 3.6Å; Y171-L179 HydrophobicContact CE2-CD2 3.73Å; R174-L179 HydrophobicContact CB-CB 4.47Å; R174-L179 HydrophobicContact CB-CD2 4.02Å; F177-L179 HydrophobicContact CD2-CB 4.17Å; F177-L179 HydrophobicContact CE2-CB 3.96Å; F177-L179 HydrophobicContact CE2-CD1 4.32Å; F177-L179 HydrophobicContact CE2-CD2 4.34Å; F177-L179 HydrophobicContact CE2-CG 4.44Å; F177-L179 PolarHBondContact O-N 2.88Å; L179-K181 HydrophobicContact CB-CG 4.33Å; L179-K181 WeakPolarHBondContact O-CG 3.42Å; L179-K181 PolarHBondContact O-N 3.22Å; L179-I184 HydrophobicContact CD1-CD1 3.4Å; L179-I184 HydrophobicContact CD2-CD1 3.94Å; L179-I184 HydrophobicContact CG-CD1 3.6Å | ||
| 180 | L | 62 | Low | 66.9 | Low | 24 Ų | 24 | 39.5 Ų | 39.5 | 13% | 0.126 | 19% | 0.191 | C | C | . | . | trans | -70.2 | 66.4 | 168.5 | -72.8 | 161.6 | 0 | 0 | 0 | 111.5 | N103 K106 S182 T183 I184 R210 | N103-L180 HydrophobicContact CB-CD1 4.32Å; K106-L180 HydrophobicContact CB-CD1 4.16Å; L180-S182 VanDerWaalsContact C-N 3.33Å; L180-S182 PolarHBondContact O-N 3.49Å; L180-S182 VanDerWaalsContact O-N 3.11Å; L180-T183 PolarHBondContact O-N 2.93Å; L180-I184 HydrophobicContact CB-CD1 4.43Å; L180-R210 HydrophobicContact CD2-CG 4.33Å | ||
| 181 | K | 53.9 | Low | 65.4 | Low | 25 Ų | 25 | 41.3 Ų | 41.3 | 11% | 0.109 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -56.6 | -34.5 | -162.4 | -49.3 | -160.5 | -179.7 | -170.2 | 0 | 116.3 | R174 L179 | R174-K181 HydrophobicContact CG-CD 4.23Å; R174-K181 VanDerWaalsContact O-CE 3.27Å; R174-K181 WeakPolarHBondContact O-CE 3.28Å; R174-K181 PolarHBondContact O-NZ 3.26Å; L179-K181 HydrophobicContact CB-CG 4.33Å; L179-K181 WeakPolarHBondContact O-CG 3.42Å; L179-K181 PolarHBondContact O-N 3.22Å |
| 182 | S | 51.8 | Low | 63.8 | Low | 38 Ų | 38 | 45.8 Ų | 45.8 | 27% | 0.266 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -84.1 | -21.4 | -169.9 | 53.2 | 0 | 0 | 0 | 0 | 114.1 | L180 Y186 F208 | L180-S182 VanDerWaalsContact C-N 3.33Å; L180-S182 PolarHBondContact O-N 3.49Å; L180-S182 VanDerWaalsContact O-N 3.11Å; S182-Y186 WeakPolarHBondContact O-CD2 3.41Å; S182-F208 WeakPolarHBondContact O-CD1 3.35Å; S182-F208 WeakPolarHBondContact O-CE1 3.32Å |
| 183 | T | 57.5 | Low | 62 | Low | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -89.3 | -45.9 | -177.5 | -48.5 | 0 | 0 | 0 | 0 | 109.9 | N103 I104 L180 Y186 F187 | N103-T183 HydrophobicContact CB-CG2 4.27Å; I104-T183 HydrophobicContact CG1-CG2 4.26Å; L180-T183 PolarHBondContact O-N 2.93Å; T183-Y186 PolarHBondContact O-N 2.98Å; T183-F187 HydrophobicContact CG2-CD2 3.79Å; T183-F187 HydrophobicContact CG2-CE2 4.36Å; T183-F187 VanDerWaalsContact O-CB 3.28Å; T183-F187 WeakPolarHBondContact O-CB 3.49Å; T183-F187 PolarHBondContact O-N 2.98Å |
| 184 | I | 65.1 | Low | 60.3 | Low | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.2 | -56 | -168 | -60.2 | 171 | 0 | 0 | 0 | 113 | L111 W162 L179 L180 Y186 F187 L188 | L111-I184 HydrophobicContact CD1-CG2 4.18Å; W162-I184 HydrophobicContact CE3-CG2 4.29Å; W162-I184 HydrophobicContact CH2-CG2 4.18Å; W162-I184 HydrophobicContact CZ3-CG2 3.79Å; L179-I184 HydrophobicContact CD1-CD1 3.4Å; L179-I184 HydrophobicContact CD2-CD1 3.94Å; L179-I184 HydrophobicContact CG-CD1 3.6Å; L180-I184 HydrophobicContact CB-CD1 4.43Å; I184-Y186 PolarHBondContact O-N 3.49Å; I184-F187 PolarHBondContact O-N 3.33Å; I184-L188 HydrophobicContact CG2-CD1 3.41Å; I184-L188 VanDerWaalsContact CG2-CD1 3.41Å; I184-L188 HydrophobicContact CG2-CG 4.26Å; I184-L188 VanDerWaalsContact O-CB 3.3Å; I184-L188 WeakPolarHBondContact O-CB 3.41Å; I184-L188 VanDerWaalsContact O-CG 3.31Å; I184-L188 WeakPolarHBondContact O-CG 3.39Å; I184-L188 PolarHBondContact O-N 3.29Å |
| 185 | K | 65.8 | Low | 58.8 | Low | 78 Ų | 78 | 52.1 Ų | 52.1 | 34% | 0.339 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.8 | -40 | -179.7 | -178.9 | 179.9 | 177.9 | -174.6 | 0 | 112.3 | W162 Y171 F187 N189 | W162-K185 HydrophobicContact CZ2-CB 4.4Å; Y171-K185 HydrophobicContact CE1-CD 4.42Å; Y171-K185 WeakPolarHBondContact OH-CB 3.5Å; K185-F187 VanDerWaalsContact C-N 3.29Å; K185-F187 PolarHBondContact O-N 3.4Å; K185-N189 WeakPolarHBondContact O-CB 3.31Å; K185-N189 VanDerWaalsContact O-CG 3.25Å; K185-N189 PolarHBondContact O-N 2.91Å; K185-N189 PolarHBondContact O-OD1 2.95Å |
| 186 | Y | 60.7 | Low | 57.9 | Low | 111 Ų | 111 | 57.7 Ų | 57.7 | 44% | 0.435 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -70.5 | -24.3 | 178.6 | -81.8 | -85.8 | 0 | 0 | 0 | 113 | S182 T183 I184 P190 F208 | S182-Y186 WeakPolarHBondContact O-CD2 3.41Å; T183-Y186 PolarHBondContact O-N 2.98Å; I184-Y186 PolarHBondContact O-N 3.49Å; Y186-P190 WeakPolarHBondContact O-CD 3.2Å; Y186-P190 WeakPolarHBondContact O-CG 3.29Å; Y186-F208 HydrophobicContact CD1-CE2 4.32Å; Y186-F208 AromaticContact CD1-CZ 3.87Å; Y186-F208 HydrophobicContact CD1-CZ 3.87Å; Y186-F208 AromaticContact CD2-CE1 3.99Å; Y186-F208 HydrophobicContact CD2-CE1 3.99Å; Y186-F208 AromaticContact CD2-CZ 3.94Å; Y186-F208 HydrophobicContact CD2-CZ 3.94Å; Y186-F208 HydrophobicContact CE1-CZ 4.12Å; Y186-F208 HydrophobicContact CE2-CE1 4.22Å; Y186-F208 HydrophobicContact CE2-CZ 4.18Å; Y186-F208 HydrophobicContact CG-CE1 4.23Å; Y186-F208 HydrophobicContact CG-CE2 4.29Å; Y186-F208 AromaticContact CG-CZ 3.76Å; Y186-F208 HydrophobicContact CG-CZ 3.76Å |
| 187 | F | 63.9 | Low | 56.7 | Low | 2 Ų | 2 | 61.8 Ų | 61.8 | 1% | 0.009 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -90.1 | -44 | 176.7 | -116.9 | -79.6 | 0 | 0 | 0 | 113.7 | I100 I104 T183 I184 K185 P190 L191 I198 L205 | I100-F187 HydrophobicContact CB-CE2 4.35Å; I100-F187 HydrophobicContact CG1-CE2 4.44Å; I100-F187 HydrophobicContact CG2-CD2 4.14Å; I100-F187 HydrophobicContact CG2-CE1 4.16Å; I100-F187 HydrophobicContact CG2-CE2 3.08Å; I100-F187 HydrophobicContact CG2-CZ 3.11Å; I104-F187 HydrophobicContact CD1-CB 4.16Å; I104-F187 HydrophobicContact CD1-CD1 3.44Å; I104-F187 VanDerWaalsContact CD1-CD1 3.44Å; I104-F187 HydrophobicContact CD1-CD2 3.83Å; I104-F187 HydrophobicContact CD1-CE1 3.62Å; I104-F187 HydrophobicContact CD1-CE2 3.96Å; I104-F187 HydrophobicContact CD1-CG 3.53Å; I104-F187 HydrophobicContact CD1-CZ 3.86Å; I104-F187 HydrophobicContact CG1-CB 4.31Å; I104-F187 HydrophobicContact CG1-CD1 4.43Å; I104-F187 HydrophobicContact CG1-CD2 4.24Å; I104-F187 HydrophobicContact CG1-CG 4.08Å; T183-F187 HydrophobicContact CG2-CD2 3.79Å; T183-F187 HydrophobicContact CG2-CE2 4.36Å; T183-F187 VanDerWaalsContact O-CB 3.28Å; T183-F187 WeakPolarHBondContact O-CB 3.49Å; T183-F187 PolarHBondContact O-N 2.98Å; I184-F187 PolarHBondContact O-N 3.33Å; K185-F187 VanDerWaalsContact C-N 3.29Å; K185-F187 PolarHBondContact O-N 3.4Å; F187-P190 WeakPolarHBondContact O-CD 3.34Å; F187-L191 HydrophobicContact CD1-CD1 4.15Å; F187-L191 WeakPolarHBondContact O-CD1 3.4Å; F187-L191 WeakPolarHBondContact O-CG 3.18Å; F187-L191 PolarHBondContact O-N 3.42Å; F187-I198 HydrophobicContact CE1-CG1 4.38Å; F187-I198 HydrophobicContact CE1-CG2 4.3Å; F187-I198 HydrophobicContact CZ-CG2 4.38Å; F187-L205 HydrophobicContact CD2-CD1 4.43Å; F187-L205 HydrophobicContact CD2-CD2 3.33Å; F187-L205 HydrophobicContact CD2-CG 4.35Å; F187-L205 HydrophobicContact CE1-CD1 3.91Å; F187-L205 HydrophobicContact CE2-CB 3.99Å; F187-L205 HydrophobicContact CE2-CD1 3.42Å; F187-L205 VanDerWaalsContact CE2-CD1 3.42Å; F187-L205 HydrophobicContact CE2-CD2 2.99Å; F187-L205 HydrophobicContact CE2-CG 3.55Å; F187-L205 HydrophobicContact CG-CD2 4.25Å; F187-L205 HydrophobicContact CZ-CB 4.39Å; F187-L205 HydrophobicContact CZ-CD1 3.1Å; F187-L205 HydrophobicContact CZ-CD2 3.68Å; F187-L205 HydrophobicContact CZ-CG 3.81Å |
| 188 | L | 63.9 | Low | 55.6 | Low | 4 Ų | 4 | 61.4 Ų | 61.4 | 2% | 0.021 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -80.7 | -25.6 | -170.3 | -64.5 | 176.8 | 0 | 0 | 0 | 112.4 | I104 M108 L158 W162 I184 L191 H192 | I104-L188 HydrophobicContact CG2-CD2 4.43Å; M108-L188 HydrophobicContact CE-CD1 3.56Å; L158-L188 HydrophobicContact CB-CD2 4.29Å; W162-L188 HydrophobicContact CB-CB 4.31Å; W162-L188 HydrophobicContact CB-CD1 4.06Å; W162-L188 HydrophobicContact CD2-CB 3.7Å; W162-L188 HydrophobicContact CD2-CD1 3.52Å; W162-L188 HydrophobicContact CD2-CG 4.27Å; W162-L188 HydrophobicContact CE3-CB 4.44Å; W162-L188 HydrophobicContact CE3-CD1 3.44Å; W162-L188 VanDerWaalsContact CE3-CD1 3.44Å; W162-L188 HydrophobicContact CG-CB 3.61Å; W162-L188 HydrophobicContact CG-CD1 3.82Å; W162-L188 HydrophobicContact CG-CG 4.29Å; W162-L188 HydrophobicContact CZ3-CD1 4.12Å; I184-L188 HydrophobicContact CG2-CD1 3.41Å; I184-L188 VanDerWaalsContact CG2-CD1 3.41Å; I184-L188 HydrophobicContact CG2-CG 4.26Å; I184-L188 VanDerWaalsContact O-CB 3.3Å; I184-L188 WeakPolarHBondContact O-CB 3.41Å; I184-L188 VanDerWaalsContact O-CG 3.31Å; I184-L188 WeakPolarHBondContact O-CG 3.39Å; I184-L188 PolarHBondContact O-N 3.29Å; L188-L191 HydrophobicContact CD2-CD1 3.83Å; L188-H192 PolarHBondContact O-N 3.45Å |
| 189 | N | 63.2 | Low | 54.4 | Low | 62 Ų | 62 | 67.3 Ų | 67.3 | 33% | 0.332 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.8 | -48.1 | 173.8 | -72.3 | 12.1 | 0 | 0 | 0 | 112.2 | W162 K185 L191 H192 E193 | W162-N189 PolarHBondContact NE1-OD1 3.23Å; W162-N189 VanDerWaalsContact NE1-OD1 3.09Å; K185-N189 WeakPolarHBondContact O-CB 3.31Å; K185-N189 VanDerWaalsContact O-CG 3.25Å; K185-N189 PolarHBondContact O-N 2.91Å; K185-N189 PolarHBondContact O-OD1 2.95Å; N189-L191 PolarHBondContact O-N 3.42Å; N189-H192 WeakPolarHBondContact O-CB 3.5Å; N189-H192 PolarHBondContact O-N 3.06Å; N189-E193 PolarHBondContact O-N 2.88Å |
| 190 | P | 54 | Low | 53.1 | Low | 38 Ų | 38 | 74 Ų | 74 | 25% | 0.247 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -67.8 | -31.5 | 175 | -23 | 33.8 | 0 | 0 | 0 | 114.7 | Y186 F187 H192 E193 K194 L201 | Y186-P190 WeakPolarHBondContact O-CD 3.2Å; Y186-P190 WeakPolarHBondContact O-CG 3.29Å; F187-P190 WeakPolarHBondContact O-CD 3.34Å; P190-H192 PolarHBondContact O-N 3.09Å; P190-E193 PolarHBondContact O-N 3.07Å; P190-K194 PolarHBondContact O-N 3.26Å; P190-K194 VanDerWaalsContact O-N 3.14Å; P190-L201 HydrophobicContact CB-CD1 3.86Å; P190-L201 HydrophobicContact CG-CD1 4.13Å |
| 191 | L | 55.7 | Low | 52.4 | Low | 39 Ų | 39 | 75.4 Ų | 75.4 | 20% | 0.204 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60 | -31.6 | 175.1 | -85.2 | 163.6 | 0 | 0 | 0 | 112 | V155 F187 L188 N189 | V155-L191 HydrophobicContact CG1-CD2 4.31Å; F187-L191 HydrophobicContact CD1-CD1 4.15Å; F187-L191 WeakPolarHBondContact O-CD1 3.4Å; F187-L191 WeakPolarHBondContact O-CG 3.18Å; F187-L191 PolarHBondContact O-N 3.42Å; L188-L191 HydrophobicContact CD2-CD1 3.83Å; N189-L191 PolarHBondContact O-N 3.42Å |
| 192 | H | 50.4 | Low | 52.1 | Low | 110 Ų | 110 | 75.9 Ų | 75.9 | 51% | 0.509 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -77.7 | -41.9 | 174.7 | 175 | -92.6 | 0 | 0 | 0 | 112.8 | M163 L188 N189 P190 | M163-H192 PolarHBondContact SD-CD2 2.7Å; L188-H192 PolarHBondContact O-N 3.45Å; N189-H192 WeakPolarHBondContact O-CB 3.5Å; N189-H192 PolarHBondContact O-N 3.06Å; P190-H192 PolarHBondContact O-N 3.09Å |
| 193 | E | 45.1 | Very low | 51.9 | Low | 146 Ų | 146 | 77.6 Ų | 77.6 | 68% | 0.682 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -82.2 | -30.5 | -170.1 | -74.7 | 178.4 | -175.8 | 0 | 0 | 115.3 | N189 P190 | N189-E193 PolarHBondContact O-N 2.88Å; P190-E193 PolarHBondContact O-N 3.07Å |
| 194 | K | 40.8 | Very low | 51.6 | Low | 149 Ų | 149 | 83.5 Ų | 83.5 | 65% | 0.648 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.5 | -16.5 | -167.4 | -66.7 | -171.1 | 177.9 | -174.1 | 0 | 116 | P190 E196 | P190-K194 PolarHBondContact O-N 3.26Å; P190-K194 VanDerWaalsContact O-N 3.14Å; K194-E196 PolarHBondContact O-N 2.88Å |
| 195 | G | 43.2 | Very low | 51.1 | Low | 70 Ų | 70 | 83.6 Ų | 83.6 | 72% | 0.722 | 42% | 0.422 | S | S | * | . | trans | 57.4 | 1.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 196 | E | 42.5 | Very low | 50.7 | Low | 135 Ų | 135 | 79.9 Ų | 79.9 | 63% | 0.631 | 41% | 0.406 | S | S | * | . | trans | -84.5 | 140 | -174.9 | -79.2 | -176.7 | 158.4 | 0 | 0 | 111.4 | K194 I198 | K194-E196 PolarHBondContact O-N 2.88Å; E196-I198 PolarHBondContact O-N 3.2Å | ||
| 197 | L | 43.6 | Very low | 50.3 | Low | 147 Ų | 147 | 74.8 Ų | 74.8 | 77% | 0.77 | 39% | 0.386 | S | S | * | . | trans | -50.5 | 135.8 | 177.3 | -104.7 | 87.6 | 0 | 0 | 0 | 111.2 | Y199 | L197-Y199 PolarHBondContact O-N 3.31Š| ||
| 198 | I | 50.6 | Low | 49.9 | Very low | 27 Ų | 27 | 75.3 Ų | 75.3 | 14% | 0.138 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -41.3 | -2.7 | 177.9 | -67 | 146.6 | 0 | 0 | 0 | 116.8 | Y101 F151 F187 E196 | Y101-I198 HydrophobicContact CE1-CD1 4.04Å; Y101-I198 HydrophobicContact CE1-CG2 4.18Å; F151-I198 HydrophobicContact CD1-CD1 4.14Å; F151-I198 HydrophobicContact CE1-CD1 3.9Å; F187-I198 HydrophobicContact CE1-CG1 4.38Å; F187-I198 HydrophobicContact CE1-CG2 4.3Å; F187-I198 HydrophobicContact CZ-CG2 4.38Å; E196-I198 PolarHBondContact O-N 3.2Å |
| 199 | Y | 41.6 | Very low | 49.5 | Very low | 204 Ų | 204 | 75.3 Ų | 75.3 | 80% | 0.8 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -38.5 | -172.2 | -148.1 | -92.5 | 0 | 0 | 0 | 114.2 | L197 F202 | L197-Y199 PolarHBondContact O-N 3.31Å; Y199-F202 WeakPolarHBondContact O-CB 3.41Å |
| 200 | I | 39.4 | Very low | 49 | Very low | 143 Ų | 143 | 76.5 Ų | 76.5 | 73% | 0.733 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -27.5 | -173.4 | -62.1 | 175.2 | 0 | 0 | 0 | 112.4 | F202 | I200-F202 VanDerWaalsContact C-N 3.27Å; I200-F202 PolarHBondContact O-N 3.11Å |
| 201 | L | 47.2 | Very low | 49.1 | Very low | 54 Ų | 54 | 79.2 Ų | 79.2 | 28% | 0.283 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -9.7 | 179.1 | -70.8 | 167.7 | 0 | 0 | 0 | 113.2 | P190 A203 Q204 L205 | P190-L201 HydrophobicContact CB-CD1 3.86Å; P190-L201 HydrophobicContact CG-CD1 4.13Å; L201-A203 VanDerWaalsContact C-N 3.29Å; L201-A203 PolarHBondContact O-N 3.32Å; L201-A203 VanDerWaalsContact O-N 3.07Å; L201-Q204 PolarHBondContact O-N 3.49Å; L201-L205 HydrophobicContact CB-CD1 3.4Å; L201-L205 VanDerWaalsContact CB-CD1 3.4Å; L201-L205 HydrophobicContact CB-CD2 4.46Å; L201-L205 HydrophobicContact CB-CG 3.8Å; L201-L205 WeakPolarHBondContact O-CG 3.37Å; L201-L205 PolarHBondContact O-N 2.87Å |
| 202 | F | 48.5 | Very low | 48.5 | Very low | 36 Ų | 36 | 78.6 Ų | 78.6 | 16% | 0.158 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -52.1 | -41.7 | -165 | -153 | -92.6 | 0 | 0 | 0 | 114.5 | L93 F96 R97 Y199 I200 Q204 L205 V206 | L93-F202 HydrophobicContact CB-CD1 4.49Å; L93-F202 HydrophobicContact CB-CE1 3.65Å; L93-F202 HydrophobicContact CB-CZ 4.3Å; L93-F202 HydrophobicContact CD2-CD1 3.78Å; L93-F202 HydrophobicContact CD2-CE1 3.54Å; L93-F202 HydrophobicContact CG-CE1 4.16Å; L93-F202 WeakPolarHBondContact O-CE1 3.43Å; L93-F202 WeakPolarHBondContact O-CZ 3.33Å; F96-F202 HydrophobicContact CB-CZ 4.42Å; R97-F202 HydrophobicContact CB-CE2 3.59Å; R97-F202 HydrophobicContact CB-CZ 3.7Å; R97-F202 HydrophobicContact CG-CE2 4Å; Y199-F202 WeakPolarHBondContact O-CB 3.41Å; I200-F202 VanDerWaalsContact C-N 3.27Å; I200-F202 PolarHBondContact O-N 3.11Å; F202-Q204 PolarHBondContact O-N 3.11Å; F202-L205 PolarHBondContact O-N 3.4Å; F202-V206 HydrophobicContact CD1-CG2 4.02Å; F202-V206 HydrophobicContact CE1-CG2 3.92Å; F202-V206 VanDerWaalsContact O-CG2 3.29Å; F202-V206 WeakPolarHBondContact O-CG2 3.37Å; F202-V206 PolarHBondContact O-N 3.35Å |
| 203 | A | 47.9 | Very low | 48.2 | Very low | 74 Ų | 74 | 74.4 Ų | 74.4 | 61% | 0.612 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -62.7 | -41.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L201 | L201-A203 VanDerWaalsContact C-N 3.29Å; L201-A203 PolarHBondContact O-N 3.32Å; L201-A203 VanDerWaalsContact O-N 3.07Å |
| 204 | Q | 50.5 | Low | 47.8 | Very low | 123 Ų | 123 | 72 Ų | 72 | 58% | 0.575 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -72.9 | -35.4 | 174.8 | -72.3 | -179.7 | -14 | 0 | 0 | 111.1 | L201 F202 V206 L207 F208 | L201-Q204 PolarHBondContact O-N 3.49Å; F202-Q204 PolarHBondContact O-N 3.11Å; Q204-V206 PolarHBondContact O-N 2.83Å; Q204-L207 VanDerWaalsContact O-CB 3.28Å; Q204-L207 WeakPolarHBondContact O-CB 3.36Å; Q204-L207 PolarHBondContact O-N 2.64Å; Q204-L207 VanDerWaalsContact O-N 3.15Å; Q204-F208 WeakPolarHBondContact O-CD2 3.44Å |
| 205 | L | 53.6 | Low | 47.5 | Very low | 3 Ų | 3 | 69 Ų | 69 | 2% | 0.016 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -70.1 | -30.3 | -178 | -61.6 | 169.7 | 0 | 0 | 0 | 113.5 | I100 F187 L201 F202 L207 F208 S209 | I100-L205 HydrophobicContact CD1-CB 3.55Å; I100-L205 HydrophobicContact CG1-CB 4.38Å; F187-L205 HydrophobicContact CD2-CD1 4.43Å; F187-L205 HydrophobicContact CD2-CD2 3.33Å; F187-L205 HydrophobicContact CD2-CG 4.35Å; F187-L205 HydrophobicContact CE1-CD1 3.91Å; F187-L205 HydrophobicContact CE2-CB 3.99Å; F187-L205 HydrophobicContact CE2-CD1 3.42Å; F187-L205 VanDerWaalsContact CE2-CD1 3.42Å; F187-L205 HydrophobicContact CE2-CD2 2.99Å; F187-L205 HydrophobicContact CE2-CG 3.55Å; F187-L205 HydrophobicContact CG-CD2 4.25Å; F187-L205 HydrophobicContact CZ-CB 4.39Å; F187-L205 HydrophobicContact CZ-CD1 3.1Å; F187-L205 HydrophobicContact CZ-CD2 3.68Å; F187-L205 HydrophobicContact CZ-CG 3.81Å; L201-L205 HydrophobicContact CB-CD1 3.4Å; L201-L205 VanDerWaalsContact CB-CD1 3.4Å; L201-L205 HydrophobicContact CB-CD2 4.46Å; L201-L205 HydrophobicContact CB-CG 3.8Å; L201-L205 WeakPolarHBondContact O-CG 3.37Å; L201-L205 PolarHBondContact O-N 2.87Å; F202-L205 PolarHBondContact O-N 3.4Å; L205-L207 PolarHBondContact O-N 2.8Å; L205-F208 HydrophobicContact CD2-CD2 4.42Å; L205-F208 PolarHBondContact O-N 2.72Å; L205-S209 PolarHBondContact O-N 2.92Å |
| 206 | V | 58.2 | Low | 46.9 | Very low | 1 Ų | 1 | 73.3 Ų | 73.3 | 1% | 0.006 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -54.4 | -38.9 | 170.4 | 167.8 | 0 | 0 | 0 | 0 | 110.8 | K78 F88 L93 F96 F202 Q204 F208 S209 | K78-V206 HydrophobicContact CD-CG1 4.19Å; K78-V206 VanDerWaalsContact CD-O 3.23Å; K78-V206 WeakPolarHBondContact CD-O 3.2Å; K78-V206 WeakPolarHBondContact CE-O 3.48Å; K78-V206 PolarHBondContact NZ-O 3.25Å; F88-V206 HydrophobicContact CD2-CG1 4.38Å; F88-V206 HydrophobicContact CE1-CG1 4.42Å; F88-V206 HydrophobicContact CE2-CG1 3.9Å; F88-V206 HydrophobicContact CZ-CG1 3.92Å; L93-V206 HydrophobicContact CD2-CG2 4.29Å; F96-V206 HydrophobicContact CB-CG2 3.97Å; F96-V206 HydrophobicContact CD1-CG1 4.37Å; F96-V206 HydrophobicContact CD2-CB 4.25Å; F96-V206 HydrophobicContact CD2-CG1 3.68Å; F96-V206 HydrophobicContact CD2-CG2 3.62Å; F96-V206 HydrophobicContact CE1-CG1 4.33Å; F96-V206 HydrophobicContact CE2-CG1 3.61Å; F96-V206 HydrophobicContact CE2-CG2 4.35Å; F96-V206 HydrophobicContact CG-CB 4.43Å; F96-V206 HydrophobicContact CG-CG1 4.08Å; F96-V206 HydrophobicContact CG-CG2 3.93Å; F96-V206 HydrophobicContact CZ-CG1 3.96Å; F202-V206 HydrophobicContact CD1-CG2 4.02Å; F202-V206 HydrophobicContact CE1-CG2 3.92Å; F202-V206 VanDerWaalsContact O-CG2 3.29Å; F202-V206 WeakPolarHBondContact O-CG2 3.37Å; F202-V206 PolarHBondContact O-N 3.35Å; Q204-V206 PolarHBondContact O-N 2.83Å; V206-F208 VanDerWaalsContact C-N 3.3Å; V206-F208 PolarHBondContact O-N 3.12Å; V206-S209 PolarHBondContact O-N 3.34Å |
| 207 | L | 53.3 | Low | 46.5 | Very low | 4 Ų | 4 | 72 Ų | 72 | 2% | 0.021 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65.5 | -32.4 | 178.3 | -62.2 | 171.5 | 0 | 0 | 0 | 112.9 | T75 K78 Q79 I82 Q204 L205 | T75-L207 HydrophobicContact CG2-CB 4.17Å; T75-L207 HydrophobicContact CG2-CD2 4.45Å; T75-L207 WeakPolarHBondContact CG2-O 3.31Å; T75-L207 PolarHBondContact OG1-O 3.42Å; K78-L207 HydrophobicContact CB-CD2 3.82Å; Q79-L207 HydrophobicContact CG-CD2 3.71Å; I82-L207 HydrophobicContact CD1-CD2 3.8Å; I82-L207 HydrophobicContact CD1-CG 4.31Å; Q204-L207 VanDerWaalsContact O-CB 3.28Å; Q204-L207 WeakPolarHBondContact O-CB 3.36Å; Q204-L207 PolarHBondContact O-N 2.64Å; Q204-L207 VanDerWaalsContact O-N 3.15Å; L205-L207 PolarHBondContact O-N 2.8Å |
| 208 | F | 55.3 | Low | 46.1 | Very low | 13 Ų | 13 | 66 Ų | 66 | 6% | 0.057 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -84.2 | -19.9 | 179.8 | -66.2 | -70.4 | 0 | 0 | 0 | 113.7 | S182 Y186 Q204 L205 V206 R210 V360 | S182-F208 WeakPolarHBondContact O-CD1 3.35Å; S182-F208 WeakPolarHBondContact O-CE1 3.32Å; Y186-F208 HydrophobicContact CD1-CE2 4.32Å; Y186-F208 AromaticContact CD1-CZ 3.87Å; Y186-F208 HydrophobicContact CD1-CZ 3.87Å; Y186-F208 AromaticContact CD2-CE1 3.99Å; Y186-F208 HydrophobicContact CD2-CE1 3.99Å; Y186-F208 AromaticContact CD2-CZ 3.94Å; Y186-F208 HydrophobicContact CD2-CZ 3.94Å; Y186-F208 HydrophobicContact CE1-CZ 4.12Å; Y186-F208 HydrophobicContact CE2-CE1 4.22Å; Y186-F208 HydrophobicContact CE2-CZ 4.18Å; Y186-F208 HydrophobicContact CG-CE1 4.23Å; Y186-F208 HydrophobicContact CG-CE2 4.29Å; Y186-F208 AromaticContact CG-CZ 3.76Å; Y186-F208 HydrophobicContact CG-CZ 3.76Å; Q204-F208 WeakPolarHBondContact O-CD2 3.44Å; L205-F208 HydrophobicContact CD2-CD2 4.42Å; L205-F208 PolarHBondContact O-N 2.72Å; V206-F208 VanDerWaalsContact C-N 3.3Å; V206-F208 PolarHBondContact O-N 3.12Å; F208-R210 PolarHBondContact O-N 3.31Å; F208-V360 HydrophobicContact CE1-CG1 4.16Å; F208-V360 HydrophobicContact CE1-CG2 3.6Å; F208-V360 HydrophobicContact CE2-CG1 4.13Å; F208-V360 HydrophobicContact CZ-CB 4.3Å; F208-V360 HydrophobicContact CZ-CG1 3.44Å; F208-V360 VanDerWaalsContact CZ-CG1 3.44Å; F208-V360 HydrophobicContact CZ-CG2 3.8Å |
| 209 | S | 53.9 | Low | 45.2 | Very low | 3 Ų | 3 | 69.8 Ų | 69.8 | 2% | 0.021 | 34% | 0.343 | C | S | . | . | trans | -60.2 | 126.4 | 176.5 | 167.1 | 0 | 0 | 0 | 0 | 111.4 | K78 T99 L205 V206 R211 | K78-S209 PolarHBondContact NZ-O 3.49Å; T99-S209 WeakPolarHBondContact CB-OG 3.32Å; T99-S209 WeakPolarHBondContact CG2-OG 3.42Å; L205-S209 PolarHBondContact O-N 2.92Å; V206-S209 PolarHBondContact O-N 3.34Å; S209-R211 VanDerWaalsContact C-N 3.26Å; S209-R211 PolarHBondContact O-N 2.87Å; S209-R211 PolarHBondContact OG-N 3.43Å | ||
| 210 | R | 53.8 | Low | 44.6 | Very low | 87 Ų | 87 | 67.4 Ų | 67.4 | 33% | 0.328 | 34% | 0.337 | S | S | . | . | trans | -81.1 | 5.7 | 179.7 | -79.9 | -160.6 | -179 | -168.7 | 3.7 | 115.1 | E70 L180 F208 S212 | E70-R210 IonicContact OE1-CZ 2.77Å; E70-R210 VanDerWaalsContact OE1-CZ 3.26Å; E70-R210 IonicContact OE1-NH1 3.57Å; E70-R210 PolarHBondContact OE1-NH1 3.1Å; E70-R210 IonicContact OE1-NH2 3.07Å; E70-R210 PolarHBondContact OE1-NH2 2.74Å; E70-R210 VanDerWaalsContact OE1-NH2 3.14Å; E70-R210 IonicContact OE2-NH2 3.88Å; L180-R210 HydrophobicContact CD2-CG 4.33Å; F208-R210 PolarHBondContact O-N 3.31Å; R210-S212 PolarHBondContact O-N 3.48Å | ||
| 211 | R | 54.9 | Low | 44.5 | Very low | 95 Ų | 95 | 66.6 Ų | 66.6 | 36% | 0.358 | 33% | 0.33 | S | S | . | . | trans | -56.6 | 120.4 | 171.9 | -169.6 | 161.6 | 178.6 | 178.7 | -7.1 | 108.2 | D95 T99 S209 I213 D214 | D95-R211 VanDerWaalsContact CB-NH1 3.25Å; D95-R211 IonicContact OD2-CZ 3.62Å; D95-R211 IonicContact OD2-NH1 3.76Å; D95-R211 PolarHBondContact OD2-NH1 2.93Å; D95-R211 IonicContact OD2-NH2 3.68Å; T99-R211 HydrophobicContact CG2-CB 4.13Å; S209-R211 VanDerWaalsContact C-N 3.26Å; S209-R211 PolarHBondContact O-N 2.87Å; S209-R211 PolarHBondContact OG-N 3.43Å; R211-I213 PolarHBondContact O-N 2.87Å; R211-D214 IonicContact NH2-OD2 3.86Å | ||
| 212 | S | 44.1 | Very low | 43.7 | Very low | 27 Ų | 27 | 66.9 Ų | 66.9 | 19% | 0.189 | 33% | 0.331 | C | S | . | . | trans | -61.2 | 122.8 | 167 | -56 | 0 | 0 | 0 | 0 | 103.9 | R210 D214 K232 | R210-S212 PolarHBondContact O-N 3.48Å; S212-D214 PolarHBondContact O-N 2.74Å; S212-K232 PolarHBondContact OG-NZ 2.91Å | ||
| 213 | I | 44.9 | Very low | 43 | Very low | 22 Ų | 22 | 71 Ų | 71 | 11% | 0.113 | 36% | 0.362 | C | S | . | . | trans | -57.6 | 108.7 | 162.8 | -63 | 168.6 | 0 | 0 | 0 | 102.3 | L77 K78 R211 S215 N230 | L77-I213 HydrophobicContact CB-CD1 3.93Å; K78-I213 HydrophobicContact CG-CD1 3.81Å; R211-I213 PolarHBondContact O-N 2.87Å; I213-S215 PolarHBondContact O-N 3.49Å; I213-N230 PolarHBondContact O-ND2 3.17Å | ||
| 214 | D | 35.6 | Very low | 42.5 | Very low | 95 Ų | 95 | 70.6 Ų | 70.6 | 51% | 0.508 | 37% | 0.365 | S | S | . | . | trans | -49.9 | 144.7 | 176 | -75.4 | -45.8 | 0 | 0 | 0 | 106.4 | R211 S212 E216 | R211-D214 IonicContact NH2-OD2 3.86Å; S212-D214 PolarHBondContact O-N 2.74Å; D214-E216 PolarHBondContact O-N 2.84Å | ||
| 215 | S | 35.2 | Very low | 42.1 | Very low | 87 Ų | 87 | 68.1 Ų | 68.1 | 61% | 0.608 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -62.7 | 31.7 | -174.1 | -38 | 0 | 0 | 0 | 0 | 113.3 | I213 F217 | I213-S215 PolarHBondContact O-N 3.49Å; S215-F217 PolarHBondContact O-N 3.46Å |
| 216 | E | 30.5 | Very low | 41.4 | Very low | 160 Ų | 160 | 69.2 Ų | 69.2 | 75% | 0.748 | 36% | 0.359 | S | S | * | . | trans | -62.6 | 93.1 | 154.9 | -71.2 | -175.9 | 172.6 | 0 | 0 | 106.4 | D214 L218 | D214-E216 PolarHBondContact O-N 2.84Å; E216-L218 PolarHBondContact O-N 3.04Å; E216-L218 VanDerWaalsContact O-N 3.09Å | ||
| 217 | F | 34.9 | Very low | 40.8 | Very low | 108 Ų | 108 | 70.2 Ų | 70.2 | 47% | 0.474 | 37% | 0.365 | S | S | . | . | trans | -4.8 | 108.7 | 148.3 | -96.3 | -109 | 0 | 0 | 0 | 110.6 | S215 Q219 | S215-F217 PolarHBondContact O-N 3.46Å; F217-Q219 HydrophobicContact CB-CB 4.04Å; F217-Q219 HydrophobicContact CD1-CB 4.31Å; F217-Q219 PolarHBondContact O-N 3.31Å | ||
| 218 | L | 34.7 | Very low | 40.6 | Very low | 21 Ų | 21 | 70.7 Ų | 70.7 | 11% | 0.11 | 37% | 0.367 | C | S | . | . | B | Isolated β-bridge | trans | -69.1 | 66.2 | 165 | -108.8 | 155.3 | 0 | 0 | 0 | 107.2 | L77 R81 E216 Y228 | L77-L218 HydrophobicContact CD2-CD1 4.16Å; R81-L218 HydrophobicContact CG-CD2 4.25Å; E216-L218 PolarHBondContact O-N 3.04Å; E216-L218 VanDerWaalsContact O-N 3.09Å; L218-Y228 HydrophobicContact CB-CD2 4.2Å; L218-Y228 HydrophobicContact CD1-CD2 3.93Å; L218-Y228 HydrophobicContact CD1-CG 4.32Å; L218-Y228 HydrophobicContact CD2-CD2 4.44Å; L218-Y228 HydrophobicContact CG-CD2 4.42Å |
| 219 | Q | 30.9 | Very low | 40 | Very low | 106 Ų | 106 | 71.9 Ų | 71.9 | 50% | 0.495 | 37% | 0.374 | S | S | . | . | trans | -108.3 | 62.8 | 178.1 | -166.2 | 175.2 | 1.4 | 0 | 0 | 106.6 | F217 E221 | F217-Q219 HydrophobicContact CB-CB 4.04Å; F217-Q219 HydrophobicContact CD1-CB 4.31Å; F217-Q219 PolarHBondContact O-N 3.31Å; Q219-E221 HydrophobicContact CG-CG 3.89Å; Q219-E221 PolarHBondContact NE2-OE1 3.23Å | ||
| 220 | K | 29.1 | Very low | 39.4 | Very low | 154 Ų | 154 | 73.2 Ų | 73.2 | 67% | 0.67 | 38% | 0.381 | S | S | * | . | trans | -88.6 | 94.7 | 146.2 | -92.4 | -172.5 | 174.3 | -179.3 | 0 | 105 | I222 | K220-I222 VanDerWaalsContact C-N 3.26Å; K220-I222 PolarHBondContact O-N 3.24Å | ||
| 221 | E | 36.7 | Very low | 38.9 | Very low | 125 Ų | 125 | 69.9 Ų | 69.9 | 58% | 0.584 | 37% | 0.373 | S | S | * | . | trans | -58.8 | 91.4 | 171.4 | -74.7 | 177.8 | -178.9 | 0 | 0 | 108.6 | Q219 | Q219-E221 HydrophobicContact CG-CG 3.89Å; Q219-E221 PolarHBondContact NE2-OE1 3.23Å | ||
| 222 | I | 31.3 | Very low | 38 | Very low | 60 Ų | 60 | 72.1 Ų | 72.1 | 31% | 0.308 | 39% | 0.386 | S | S | . | . | trans | -108.7 | 121 | 164.7 | -60.4 | 172.9 | 0 | 0 | 0 | 104.9 | K220 G224 K225 | K220-I222 VanDerWaalsContact C-N 3.26Å; K220-I222 PolarHBondContact O-N 3.24Å; I222-G224 PolarHBondContact O-N 3.44Å; I222-G224 VanDerWaalsContact O-N 3.09Å; I222-K225 HydrophobicContact CB-CB 4.14Å; I222-K225 HydrophobicContact CB-CD 3.79Å; I222-K225 HydrophobicContact CB-CG 3.84Å; I222-K225 HydrophobicContact CD1-CD 3.72Å; I222-K225 HydrophobicContact CG1-CD 4.29Å; I222-K225 HydrophobicContact CG2-CD 3.95Å; I222-K225 HydrophobicContact CG2-CG 3.91Å; I222-K225 PolarHBondContact O-N 2.84Å | ||
| 223 | P | 33.5 | Very low | 37.6 | Very low | 124 Ų | 124 | 75.3 Ų | 75.3 | 81% | 0.805 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.1 | 120.8 | 176.4 | -25 | 32.6 | 0 | 0 | 0 | 110.1 | ||
| 224 | G | 37.9 | Very low | 36.9 | Very low | 65 Ų | 65 | 80 Ų | 80 | 67% | 0.67 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.2 | 4.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | I222 | I222-G224 PolarHBondContact O-N 3.44Å; I222-G224 VanDerWaalsContact O-N 3.09Å |
| 225 | K | 40.9 | Very low | 37.1 | Very low | 70 Ų | 70 | 77.7 Ų | 77.7 | 30% | 0.304 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -100.2 | 140.4 | 171.5 | -66 | -163.5 | -174.5 | 179.2 | 0 | 112 | I222 | I222-K225 HydrophobicContact CB-CB 4.14Å; I222-K225 HydrophobicContact CB-CD 3.79Å; I222-K225 HydrophobicContact CB-CG 3.84Å; I222-K225 HydrophobicContact CD1-CD 3.72Å; I222-K225 HydrophobicContact CG1-CD 4.29Å; I222-K225 HydrophobicContact CG2-CD 3.95Å; I222-K225 HydrophobicContact CG2-CG 3.91Å; I222-K225 PolarHBondContact O-N 2.84Å |
| 226 | P | 41 | Very low | 37.6 | Very low | 26 Ų | 26 | 81.7 Ų | 81.7 | 17% | 0.169 | 44% | 0.435 | C | S | . | . | P | Polyproline II helix | trans | -73 | 141.5 | -177.8 | 27.3 | -33 | 0 | 0 | 0 | 112.6 | V61 I63 Y228 F369 | V61-P226 WeakPolarHBondContact O-CA 3.47Å; V61-P226 WeakPolarHBondContact O-CB 3.37Å; I63-P226 HydrophobicContact CD1-CB 3.58Å; I63-P226 HydrophobicContact CD1-CG 4.01Å; I63-P226 HydrophobicContact CG1-CB 3.9Å; P226-Y228 HydrophobicContact CG-CE1 4.17Å; P226-Y228 HydrophobicContact CG-CE2 4.28Å; P226-Y228 WeakPolarHBondContact CG-OH 3.35Å; P226-Y228 WeakPolarHBondContact O-CD2 3.45Å; P226-Y228 WeakPolarHBondContact O-CE2 3.33Å; P226-F369 HydrophobicContact CG-CZ 4.11Å |
| 227 | V | 44.2 | Very low | 38 | Very low | 22 Ų | 22 | 83.2 Ų | 83.2 | 13% | 0.133 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 125.7 | 173.8 | 178.6 | 0 | 0 | 0 | 0 | 108.8 | L60 V61 I63 | L60-V227 HydrophobicContact CD1-CG2 4.26Å; V61-V227 PolarHBondContact O-N 3.39Å; V61-V227 VanDerWaalsContact O-N 3.12Å; I63-V227 PolarHBondContact N-O 3.32Å |
| 228 | Y | 49.1 | Very low | 38.3 | Very low | 15 Ų | 15 | 79.1 Ų | 79.1 | 6% | 0.059 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 125 | -177.3 | -52.5 | -85.4 | 0 | 0 | 0 | 112 | I63 L77 M80 N84 L218 P226 | I63-Y228 HydrophobicContact CB-CD1 4.38Å; I63-Y228 HydrophobicContact CD1-CE1 4.43Å; I63-Y228 WeakPolarHBondContact O-CA 3.28Å; L77-Y228 VanDerWaalsContact CD2-CB 3.41Å; L77-Y228 HydrophobicContact CD2-CD1 4.01Å; L77-Y228 HydrophobicContact CD2-CG 3.78Å; M80-Y228 HydrophobicContact CB-CE1 4.17Å; M80-Y228 HydrophobicContact CB-CE2 4.29Å; M80-Y228 HydrophobicContact CG-CE1 3.81Å; M80-Y228 HydrophobicContact SD-CE1 4.23Å; N84-Y228 PolarHBondContact ND2-OH 2.76Å; L218-Y228 HydrophobicContact CB-CD2 4.2Å; L218-Y228 HydrophobicContact CD1-CD2 3.93Å; L218-Y228 HydrophobicContact CD1-CG 4.32Å; L218-Y228 HydrophobicContact CD2-CD2 4.44Å; L218-Y228 HydrophobicContact CG-CD2 4.42Å; P226-Y228 HydrophobicContact CG-CE1 4.17Å; P226-Y228 HydrophobicContact CG-CE2 4.28Å; P226-Y228 WeakPolarHBondContact CG-OH 3.35Å; P226-Y228 WeakPolarHBondContact O-CD2 3.45Å; P226-Y228 WeakPolarHBondContact O-CE2 3.33Å |
| 229 | L | 43.3 | Very low | 38.9 | Very low | 38 Ų | 38 | 80.4 Ų | 80.4 | 20% | 0.199 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 124.9 | 176 | -67.3 | 171 | 0 | 0 | 0 | 110.3 | I63 L64 L65 | I63-L229 PolarHBondContact O-N 2.82Å; L64-L229 HydrophobicContact CD1-CB 3.41Å; L64-L229 VanDerWaalsContact CD1-CB 3.41Å; L64-L229 HydrophobicContact CD1-CD1 4.31Å; L65-L229 PolarHBondContact N-O 3.38Å |
| 230 | N | 41 | Very low | 39.5 | Very low | 30 Ų | 30 | 79.5 Ų | 79.5 | 16% | 0.16 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 110.7 | 176 | -165.6 | 7.8 | 0 | 0 | 0 | 109.7 | L77 I213 K232 | L77-N230 HydrophobicContact CD1-CB 3.92Å; I213-N230 PolarHBondContact O-ND2 3.17Å; N230-K232 PolarHBondContact O-N 3.18Å |
| 231 | G | 42.5 | Very low | 40.2 | Very low | 17 Ų | 17 | 80.7 Ų | 80.7 | 18% | 0.175 | 43% | 0.434 | C | S | . | . | trans | -77.4 | 50.6 | -176 | 0 | 0 | 0 | 0 | 0 | 115 | L233 | G231-L233 VanDerWaalsContact C-N 3.25Å; G231-L233 PolarHBondContact O-N 3.3Å | ||
| 232 | K | 36 | Very low | 40.5 | Very low | 142 Ų | 142 | 83.3 Ų | 83.3 | 62% | 0.617 | 44% | 0.439 | S | S | * | . | trans | -94.2 | 52.9 | 169.8 | -146.5 | -172.9 | -175.2 | -168.4 | 0 | 110.1 | S212 N230 | S212-K232 PolarHBondContact OG-NZ 2.91Å; N230-K232 PolarHBondContact O-N 3.18Å | ||
| 233 | L | 35.4 | Very low | 41.3 | Very low | 94 Ų | 94 | 82.3 Ų | 82.3 | 49% | 0.492 | 43% | 0.432 | S | S | . | . | trans | -87.3 | 130.7 | 171.3 | -85.5 | 140.4 | 0 | 0 | 0 | 108.5 | G231 G235 | G231-L233 VanDerWaalsContact C-N 3.25Å; G231-L233 PolarHBondContact O-N 3.3Å; L233-G235 PolarHBondContact O-N 3.2Å | ||
| 234 | S | 31.8 | Very low | 41.5 | Very low | 121 Ų | 121 | 83 Ų | 83 | 85% | 0.846 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -47.7 | 93.7 | 167.3 | 35.1 | 0 | 0 | 0 | 0 | 110.6 | ||
| 235 | G | 38.5 | Very low | 41.4 | Very low | 46 Ų | 46 | 89.3 Ų | 89.3 | 47% | 0.474 | 44% | 0.438 | S | S | . | . | S | Bend | trans | 87.1 | 146.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | L233 K237 G238 | L233-G235 PolarHBondContact O-N 3.2Å; G235-K237 PolarHBondContact O-N 2.97Å; G235-G238 PolarHBondContact O-N 3.3Å; G235-G238 VanDerWaalsContact O-N 3.16Å |
| 236 | R | 46.1 | Very low | 41.2 | Very low | 172 Ų | 172 | 86.5 Ų | 86.5 | 65% | 0.649 | 43% | 0.426 | S | S | * | . | G | 310 helix | trans | -56.6 | -23 | -179.3 | -60 | 178.6 | -167.3 | 168.9 | 4.6 | 113.5 | F240 | R236-F240 WeakPolarHBondContact O-CD2 3.38Å; R236-F240 VanDerWaalsContact O-CE2 3.24Å; R236-F240 WeakPolarHBondContact O-CE2 3.24Å |
| 237 | K | 39.6 | Very low | 41 | Very low | 191 Ų | 191 | 86 Ų | 86 | 83% | 0.83 | 42% | 0.423 | S | S | * | . | G | 310 helix | trans | -70.7 | -30 | -179.9 | -68.6 | -175.7 | 177.4 | -179.2 | 0 | 113.1 | G235 W239 | G235-K237 PolarHBondContact O-N 2.97Å; K237-W239 VanDerWaalsContact C-N 3.34Å; K237-W239 PolarHBondContact O-N 2.89Å |
| 238 | G | 41 | Very low | 40.5 | Very low | 23 Ų | 23 | 85 Ų | 85 | 24% | 0.237 | 42% | 0.417 | C | S | . | . | G | 310 helix | trans | -78 | -14.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | G235 F240 | G235-G238 PolarHBondContact O-N 3.3Å; G235-G238 VanDerWaalsContact O-N 3.16Å; G238-F240 VanDerWaalsContact C-N 3.34Å; G238-F240 PolarHBondContact O-N 3.15Å |
| 239 | W | 45.9 | Very low | 40 | Very low | 47 Ų | 47 | 84.3 Ų | 84.3 | 18% | 0.178 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -64.2 | -44.2 | 179.8 | -63.4 | -1.8 | 0 | 0 | 0 | 110 | L66 K237 Q241 R242 F243 I286 | L66-W239 HydrophobicContact CD2-CD2 4.4Å; L66-W239 HydrophobicContact CD2-CE3 4.23Å; L66-W239 HydrophobicContact CD2-CZ3 4.34Å; K237-W239 VanDerWaalsContact C-N 3.34Å; K237-W239 PolarHBondContact O-N 2.89Å; W239-Q241 VanDerWaalsContact C-N 3.3Å; W239-Q241 PolarHBondContact O-N 3.45Å; W239-R242 PolarHBondContact O-N 3.04Å; W239-F243 HydrophobicContact CB-CE2 3.86Å; W239-F243 HydrophobicContact CB-CZ 4.36Å; W239-F243 WeakPolarHBondContact O-CD2 3.02Å; W239-F243 WeakPolarHBondContact O-CE2 3.41Å; W239-I286 HydrophobicContact CZ3-CD1 4.23Å |
| 240 | F | 45.2 | Very low | 39.8 | Very low | 87 Ų | 87 | 82.7 Ų | 82.7 | 38% | 0.382 | 41% | 0.406 | S | S | . | . | G | 310 helix | trans | -64.5 | -24.8 | -167.1 | -63 | -69.7 | 0 | 0 | 0 | 115.3 | R236 G238 R242 N289 L291 | R236-F240 WeakPolarHBondContact O-CD2 3.38Å; R236-F240 VanDerWaalsContact O-CE2 3.24Å; R236-F240 WeakPolarHBondContact O-CE2 3.24Å; G238-F240 VanDerWaalsContact C-N 3.34Å; G238-F240 PolarHBondContact O-N 3.15Å; F240-R242 VanDerWaalsContact C-N 3.34Å; F240-R242 PolarHBondContact O-N 3.41Å; F240-N289 VanDerWaalsContact CE1-ND2 3.35Å; F240-N289 WeakPolarHBondContact CE1-ND2 3.49Å; F240-L291 HydrophobicContact CD1-CD1 3.67Å; F240-L291 HydrophobicContact CE1-CD1 4.32Å |
| 241 | Q | 43.6 | Very low | 39.5 | Very low | 179 Ų | 179 | 81.3 Ų | 81.3 | 84% | 0.836 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -78.5 | -7.9 | -174 | -70 | -177.6 | -8.5 | 0 | 0 | 114.8 | W239 | W239-Q241 VanDerWaalsContact C-N 3.3Å; W239-Q241 PolarHBondContact O-N 3.45Å |
| 242 | R | 43 | Very low | 39.2 | Very low | 181 Ų | 181 | 80.6 Ų | 80.6 | 68% | 0.683 | 39% | 0.391 | S | S | * | . | G | 310 helix | trans | -111.4 | 5.7 | -176.4 | -145.7 | 75.4 | -178.7 | 160.5 | 0.6 | 114.7 | W239 F240 N244 | W239-R242 PolarHBondContact O-N 3.04Å; F240-R242 VanDerWaalsContact C-N 3.34Å; F240-R242 PolarHBondContact O-N 3.41Å; R242-N244 PolarHBondContact O-N 3.26Å |
| 243 | F | 47.9 | Very low | 39.2 | Very low | 38 Ų | 38 | 74.1 Ų | 74.1 | 17% | 0.167 | 36% | 0.362 | C | S | . | . | trans | -96 | 82.6 | -169.1 | -71.7 | -75.6 | 0 | 0 | 0 | 114.5 | L64 W239 F292 | L64-F243 HydrophobicContact CD2-CD1 4.29Å; L64-F243 HydrophobicContact CD2-CE1 3.13Å; L64-F243 HydrophobicContact CD2-CZ 3.39Å; W239-F243 HydrophobicContact CB-CE2 3.86Å; W239-F243 HydrophobicContact CB-CZ 4.36Å; W239-F243 WeakPolarHBondContact O-CD2 3.02Å; W239-F243 WeakPolarHBondContact O-CE2 3.41Å; F243-F292 AromaticContact CD1-CE1 3.53Å; F243-F292 HydrophobicContact CD1-CE1 3.53Å; F243-F292 AromaticContact CD1-CZ 3.98Å; F243-F292 HydrophobicContact CD1-CZ 3.98Å; F243-F292 HydrophobicContact CD2-CE1 4.44Å; F243-F292 HydrophobicContact CD2-CZ 4.24Å; F243-F292 AromaticContact CE1-CE1 3.44Å; F243-F292 HydrophobicContact CE1-CE1 3.44Å; F243-F292 VanDerWaalsContact CE1-CE1 3.44Å; F243-F292 AromaticContact CE1-CZ 3.55Å; F243-F292 HydrophobicContact CE1-CZ 3.55Å; F243-F292 HydrophobicContact CE2-CE1 4.37Å; F243-F292 AromaticContact CE2-CZ 3.85Å; F243-F292 HydrophobicContact CE2-CZ 3.85Å; F243-F292 HydrophobicContact CG-CE1 4.03Å; F243-F292 HydrophobicContact CG-CZ 4.29Å; F243-F292 AromaticContact CZ-CE1 3.93Å; F243-F292 HydrophobicContact CZ-CE1 3.93Å; F243-F292 AromaticContact CZ-CZ 3.52Å; F243-F292 HydrophobicContact CZ-CZ 3.52Å | ||
| 244 | N | 36.8 | Very low | 39 | Very low | 138 Ų | 138 | 69.8 Ų | 69.8 | 74% | 0.738 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -121.4 | 117.1 | 156.5 | -98.9 | -39.3 | 0 | 0 | 0 | 109.7 | R242 | R242-N244 PolarHBondContact O-N 3.26Š|
| 245 | K | 36 | Very low | 38.9 | Very low | 199 Ų | 199 | 64.7 Ų | 64.7 | 87% | 0.865 | 30% | 0.304 | S | S | * | . | S | Bend | trans | 55.5 | 68.3 | 176.5 | -57.1 | -172.1 | 177.7 | -167.8 | 0 | 114.3 | ||
| 246 | V | 37.1 | Very low | 38.7 | Very low | 10 Ų | 10 | 63 Ų | 63 | 6% | 0.061 | 28% | 0.283 | C | S | . | . | trans | -124.8 | 132 | 177 | -176.1 | 0 | 0 | 0 | 0 | 109.6 | K62 L64 V295 | K62-V246 HydrophobicContact CB-CB 4.27Å; K62-V246 HydrophobicContact CB-CG1 3.92Å; K62-V246 HydrophobicContact CB-CG2 4.07Å; K62-V246 HydrophobicContact CD-CG2 4.04Å; L64-V246 HydrophobicContact CB-CG1 3.67Å; V246-V295 WeakPolarHBondContact O-CG1 3.48Å; V246-V295 VanDerWaalsContact O-CG2 3.25Å; V246-V295 WeakPolarHBondContact O-CG2 3.27Å | ||
| 247 | T | 36 | Very low | 38 | Very low | 16 Ų | 16 | 56.5 Ų | 56.5 | 10% | 0.098 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 125.1 | 169.5 | -49 | 0 | 0 | 0 | 0 | 108.5 | K62 I63 L64 I376 | K62-T247 WeakPolarHBondContact O-CA 3.26Å; K62-T247 WeakPolarHBondContact O-CB 2.82Å; K62-T247 PolarHBondContact O-N 3.35Å; I63-T247 VanDerWaalsContact CA-O 3.32Å; I63-T247 WeakPolarHBondContact CA-O 2.93Å; L64-T247 PolarHBondContact N-O 2.74Å; T247-I376 HydrophobicContact CG2-CD1 3.79Å; T247-I376 HydrophobicContact CG2-CG1 3.9Å; T247-I376 HydrophobicContact CG2-CG2 4.33Å |
| 248 | N | 34.5 | Very low | 37.4 | Very low | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 122.8 | -172.7 | -74.9 | -22 | 0 | 0 | 0 | 111.1 | L64 F292 V295 S296 I297 I298 | L64-N248 VanDerWaalsContact CB-OD1 3.28Å; L64-N248 WeakPolarHBondContact CB-OD1 3.13Å; L64-N248 WeakPolarHBondContact CD2-OD1 3.5Å; N248-F292 WeakPolarHBondContact ND2-CD1 3.1Å; N248-F292 WeakPolarHBondContact ND2-CE1 3.05Å; N248-V295 HydrophobicContact CB-CG1 3.76Å; N248-V295 VanDerWaalsContact N-CG1 3.33Å; N248-S296 PolarHBondContact N-O 3.35Å; N248-I297 WeakPolarHBondContact O-CA 2.95Å; N248-I298 PolarHBondContact O-N 2.92Å |
| 249 | V | 38.8 | Very low | 37.2 | Very low | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.012 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 110.4 | 172.9 | 173.7 | 0 | 0 | 0 | 0 | 107.6 | I63 L64 L65 L66 F300 | I63-V249 HydrophobicContact CG2-CB 3.89Å; I63-V249 HydrophobicContact CG2-CG2 3.51Å; L64-V249 CarbonylContact O-C 3.56Å; L64-V249 WeakPolarHBondContact O-CA 3.4Å; L64-V249 PolarHBondContact O-N 3.04Å; L65-V249 WeakPolarHBondContact CA-O 3.47Å; L65-V249 HydrophobicContact CD2-CB 3.96Å; L65-V249 HydrophobicContact CD2-CG1 3.64Å; L66-V249 PolarHBondContact N-O 2.74Å; L66-V249 VanDerWaalsContact N-O 3.1Å; V249-F300 HydrophobicContact CG1-CD2 3.46Å; V249-F300 VanDerWaalsContact CG1-CD2 3.46Å; V249-F300 HydrophobicContact CG1-CE2 3.08Å; V249-F300 HydrophobicContact CG1-CZ 3.92Å |
| 250 | L | 39.4 | Very low | 36.5 | Very low | 3 Ų | 3 | 57.7 Ų | 57.7 | 2% | 0.016 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 112.7 | -174 | -162 | 147.2 | 0 | 0 | 0 | 109.4 | L66 V252 F283 I286 I297 I298 L299 F300 | L66-L250 HydrophobicContact CB-CD1 4.34Å; L66-L250 HydrophobicContact CB-CG 4.17Å; L250-V252 HydrophobicContact CD2-CG2 3.61Å; L250-F283 HydrophobicContact CD1-CD2 4.03Å; L250-F283 HydrophobicContact CD2-CB 4.41Å; L250-F283 HydrophobicContact CD2-CD2 3.64Å; L250-F283 HydrophobicContact CD2-CE2 4.46Å; L250-F283 HydrophobicContact CG-CD2 4.35Å; L250-I286 HydrophobicContact CD1-CB 3.78Å; L250-I286 HydrophobicContact CD1-CD1 3.41Å; L250-I286 VanDerWaalsContact CD1-CD1 3.41Å; L250-I286 HydrophobicContact CD1-CG1 4.18Å; L250-I286 HydrophobicContact CD1-CG2 3.56Å; L250-I297 HydrophobicContact CB-CG2 4.26Å; L250-I298 CarbonylContact C-O 3.4Å; L250-I298 PolarHBondContact N-O 3.45Å; L250-L299 HydrophobicContact CD2-CD1 4.48Å; L250-L299 WeakPolarHBondContact O-CA 3.06Å; L250-F300 PolarHBondContact O-N 2.78Å |
| 251 | R | 35.3 | Very low | 35.6 | Very low | 1 Ų | 1 | 55.3 Ų | 55.3 | 0% | 0.004 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 109.7 | -178.4 | -170.1 | 159.1 | -167.6 | 103.3 | -2.1 | 110.2 | L66 F300 N302 T357 | L66-R251 PolarHBondContact O-N 2.65Å; R251-F300 HydrophobicContact CB-CB 4.05Å; R251-F300 HydrophobicContact CB-CD2 4.32Å; R251-F300 HydrophobicContact CG-CB 3.7Å; R251-F300 HydrophobicContact CG-CD2 4.43Å; R251-F300 VanDerWaalsContact NH1-CD2 3.26Å; R251-F300 VanDerWaalsContact NH1-CG 3.31Å; R251-N302 HydrophobicContact CG-CB 4.2Å; R251-N302 VanDerWaalsContact NE-CG 3.31Å; R251-N302 PolarHBondContact NE-ND2 3.07Å; R251-N302 PolarHBondContact NH2-OD1 3Å; R251-T357 PolarHBondContact NH1-OG1 3.42Å; R251-T357 VanDerWaalsContact NH2-CB 3.28Å; R251-T357 PolarHBondContact NH2-OG1 3.44Å |
| 252 | V | 36.1 | Very low | 34.8 | Very low | 3 Ų | 3 | 47.7 Ų | 47.7 | 2% | 0.018 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 141.8 | 171.9 | 167.2 | 0 | 0 | 0 | 0 | 109.8 | L250 L299 F300 N302 F341 | L250-V252 HydrophobicContact CD2-CG2 3.61Å; V252-L299 HydrophobicContact CB-CD1 3.53Å; V252-L299 HydrophobicContact CG1-CD1 4.46Å; V252-L299 HydrophobicContact CG2-CD1 3.19Å; V252-F300 CarbonylContact C-O 3.48Å; V252-F300 WeakPolarHBondContact CA-O 3.39Å; V252-F300 PolarHBondContact N-O 3.42Å; V252-N302 PolarHBondContact O-N 3.45Å; V252-F341 HydrophobicContact CB-CE1 4.23Å; V252-F341 HydrophobicContact CB-CZ 4.13Å; V252-F341 HydrophobicContact CG1-CE1 3.69Å; V252-F341 HydrophobicContact CG1-CE2 3.6Å; V252-F341 HydrophobicContact CG1-CZ 3.13Å; V252-F341 HydrophobicContact CG2-CD1 4.16Å; V252-F341 HydrophobicContact CG2-CE1 3.55Å; V252-F341 HydrophobicContact CG2-CZ 3.95Å |
| 253 | R | 36.3 | Very low | 34 | Very low | 5 Ų | 5 | 39.4 Ų | 39.4 | 2% | 0.019 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 129 | 178.7 | 177.6 | -175.7 | -178.7 | 112 | -15.4 | 109.5 | E70 Q265 | E70-R253 PolarHBondContact O-NH1 3.21Å; E70-R253 IonicContact OE2-NH1 3.05Å; E70-R253 IonicContact OE2-NH2 3.09Å; R253-Q265 VanDerWaalsContact CZ-OE1 3.22Å; R253-Q265 VanDerWaalsContact NE-OE1 3.08Å; R253-Q265 VanDerWaalsContact NH2-NE2 3.18Å |
| 254 | S | 30.1 | Very low | 32.9 | Very low | 4 Ų | 4 | 39.2 Ų | 39.2 | 3% | 0.028 | 20% | 0.2 | C | C | . | . | P | Polyproline II helix | trans | -80.2 | 121.1 | 153.4 | -164.4 | 0 | 0 | 0 | 0 | 109.4 | N302 | S254-N302 WeakPolarHBondContact CA-O 3.34Å; S254-N302 WeakPolarHBondContact CB-O 3.28Å; S254-N302 PolarHBondContact N-O 3.22Å |
| 255 | T | 30.3 | Very low | 32.4 | Very low | 13 Ų | 13 | 33.1 Ų | 33.1 | 8% | 0.08 | 17% | 0.167 | C | C | . | . | trans | 13.1 | 134.4 | 165.2 | 73.2 | 0 | 0 | 0 | 0 | 121.1 | C263 K310 | T255-C263 WeakPolarHBondContact CG2-SG 3.35Å; T255-K310 VanDerWaalsContact CB-NZ 3.31Å; T255-K310 PolarHBondContact O-NZ 3.19Å; T255-K310 PolarHBondContact OG1-NZ 2.99Å | ||
| 256 | R | 33.4 | Very low | 31.9 | Very low | 12 Ų | 12 | 23.9 Ų | 23.9 | 5% | 0.045 | 13% | 0.127 | C | C | . | . | trans | -117.5 | 157 | 149.6 | -77.8 | -168 | -171.3 | 144.2 | 8.1 | 109.8 | E70 Q265 | E70-R256 IonicContact OE2-CZ 3.67Å; E70-R256 IonicContact OE2-NH1 3.69Å; E70-R256 PolarHBondContact OE2-NH1 3.3Å; E70-R256 IonicContact OE2-NH2 2.88Å; R256-Q265 HydrophobicContact CB-CG 4.29Å; R256-Q265 WeakPolarHBondContact O-CB 3.44Å | ||
| 257 | P | 32.5 | Very low | 31.4 | Very low | 34 Ų | 34 | 25.3 Ų | 25.3 | 22% | 0.221 | 13% | 0.134 | C | C | . | . | P | Polyproline II helix | trans | -90 | 137.2 | -170.5 | 32.9 | -30.8 | 0 | 0 | 0 | 112.3 | S175 | S175-P257 CarbonylContact C-O 3.6Å; S175-P257 WeakPolarHBondContact CA-O 3.39Å; S175-P257 WeakPolarHBondContact CB-O 3.43Å; S175-P257 VanDerWaalsContact O-O 3.12Å |
| 258 | Y | 26.9 | Very low | 31 | Very low | 82 Ų | 82 | 31.7 Ų | 31.7 | 32% | 0.322 | 17% | 0.165 | S | C | . | . | P | Polyproline II helix | trans | -87.9 | 159.3 | 137.3 | -118.5 | -113.1 | 0 | 0 | 0 | 107.5 | E260 V264 V266 | Y258-E260 PolarHBondContact O-N 3.07Å; Y258-V264 WeakPolarHBondContact CB-O 3.45Å; Y258-V264 HydrophobicContact CD1-CG1 4.49Å; Y258-V264 HydrophobicContact CD2-CG1 4.49Å; Y258-V264 HydrophobicContact CG-CG1 4.07Å; Y258-V264 PolarHBondContact N-O 3.47Å; Y258-V266 HydrophobicContact CD2-CB 4.38Å; Y258-V266 HydrophobicContact CD2-CG2 4.08Å; Y258-V266 HydrophobicContact CE2-CB 3.9Å; Y258-V266 HydrophobicContact CE2-CG2 3.79Å |
| 259 | P | 36 | Very low | 30.9 | Very low | 57 Ų | 57 | 40.4 Ų | 40.4 | 37% | 0.37 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -63.7 | 138.8 | 167.9 | 33.4 | -35.4 | 0 | 0 | 0 | 107.3 | E176 | E176-P259 HydrophobicContact CG-CB 4.38Å; E176-P259 HydrophobicContact CG-CG 3.71Å |
| 260 | E | 31.7 | Very low | 30.6 | Very low | 148 Ų | 148 | 43.3 Ų | 43.3 | 69% | 0.692 | 22% | 0.221 | S | C | * | . | S | Bend | trans | 69.8 | 122.5 | -178.3 | -52.8 | -179.5 | 166.2 | 0 | 0 | 113.5 | Y258 | Y258-E260 PolarHBondContact O-N 3.07Š|
| 261 | C | 26.1 | Very low | 30.6 | Very low | 36 Ų | 36 | 53.3 Ų | 53.3 | 24% | 0.243 | 26% | 0.259 | C | S | . | . | S | Bend | trans | 87.9 | 114.6 | 167.1 | -40.8 | 0 | 0 | 0 | 0 | 113.2 | C263 V264 K318 N319 | C261-C263 PolarHBondContact O-N 3.39Å; C261-V264 HydrophobicContact CB-CG2 4.26Å; C261-V264 PolarHBondContact O-N 2.95Å; C261-K318 HydrophobicContact CB-CB 3.55Å; C261-K318 HydrophobicContact CB-CD 4.23Å; C261-N319 WeakPolarHBondContact CA-OD1 3.09Å; C261-N319 VanDerWaalsContact CB-CG 3.46Å; C261-N319 WeakPolarHBondContact CB-ND2 3.41Å; C261-N319 WeakPolarHBondContact CB-OD1 3.49Å; C261-N319 PolarHBondContact O-OD1 3.28Å |
| 262 | V | 26.4 | Very low | 31.2 | Very low | 20 Ų | 20 | 64 Ų | 64 | 12% | 0.121 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | 102.8 | 169.1 | 163.4 | 0 | 0 | 0 | 0 | 108.3 | V314 D315 I316 N319 | V262-V314 HydrophobicContact CB-CG1 4.25Å; V262-V314 HydrophobicContact CG2-CB 3.45Å; V262-V314 VanDerWaalsContact CG2-CB 3.45Å; V262-V314 HydrophobicContact CG2-CG1 3.47Å; V262-V314 VanDerWaalsContact CG2-CG1 3.47Å; V262-V314 WeakPolarHBondContact CG2-O 3.41Å; V262-D315 WeakPolarHBondContact CB-O 3.39Å; V262-D315 WeakPolarHBondContact CG2-O 3.3Å; V262-D315 PolarHBondContact N-O 2.82Å; V262-I316 VanDerWaalsContact CB-CA 3.42Å; V262-I316 HydrophobicContact CB-CB 4.13Å; V262-I316 HydrophobicContact CB-CG1 4.42Å; V262-I316 HydrophobicContact CG1-CB 3.67Å; V262-I316 HydrophobicContact CG1-CD1 4.03Å; V262-I316 HydrophobicContact CG1-CG1 3.61Å; V262-I316 HydrophobicContact CG2-CB 4.44Å; V262-N319 WeakPolarHBondContact CA-OD1 3.36Å; V262-N319 PolarHBondContact N-OD1 3.07Å; V262-N319 WeakPolarHBondContact O-CB 3.38Å; V262-N319 PolarHBondContact O-OD1 3Å |
| 263 | C | 26.9 | Very low | 32 | Very low | 6 Ų | 6 | 66.7 Ų | 66.7 | 4% | 0.041 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 99.1 | 53.9 | -178.9 | -49.8 | 0 | 0 | 0 | 0 | 114 | T255 C261 N274 L276 N319 F320 | T255-C263 WeakPolarHBondContact CG2-SG 3.35Å; C261-C263 PolarHBondContact O-N 3.39Å; C263-N274 WeakPolarHBondContact CB-ND2 2.84Å; C263-N274 WeakPolarHBondContact CB-OD1 3.05Å; C263-N274 VanDerWaalsContact O-CB 3.26Å; C263-N274 WeakPolarHBondContact O-CB 3.24Å; C263-N274 PolarHBondContact O-ND2 2.72Å; C263-N274 PolarHBondContact O-OD1 2.87Å; C263-L276 HydrophobicContact CB-CB 4.27Å; C263-L276 HydrophobicContact CB-CD2 4.42Å; C263-L276 WeakPolarHBondContact SG-CD2 3.21Å; C263-N319 HydrophobicContact CB-CB 3.99Å; C263-N319 PolarHBondContact O-ND2 2.94Å; C263-F320 HydrophobicContact CB-CD2 4.37Å; C263-F320 HydrophobicContact CB-CE2 3.45Å; C263-F320 VanDerWaalsContact CB-CE2 3.45Å; C263-F320 HydrophobicContact CB-CZ 4.16Å; C263-F320 VanDerWaalsContact SG-CE2 3.52Å |
| 264 | V | 23.9 | Very low | 33.3 | Very low | 35 Ų | 35 | 67.5 Ų | 67.5 | 21% | 0.212 | 32% | 0.32 | C | S | . | . | trans | -113.4 | 112.5 | 142 | -173.4 | 0 | 0 | 0 | 0 | 106.7 | Y258 C261 V266 N319 | Y258-V264 WeakPolarHBondContact CB-O 3.45Å; Y258-V264 HydrophobicContact CD1-CG1 4.49Å; Y258-V264 HydrophobicContact CD2-CG1 4.49Å; Y258-V264 HydrophobicContact CG-CG1 4.07Å; Y258-V264 PolarHBondContact N-O 3.47Å; C261-V264 HydrophobicContact CB-CG2 4.26Å; C261-V264 PolarHBondContact O-N 2.95Å; V264-V266 HydrophobicContact CG1-CG2 3.81Å; V264-N319 WeakPolarHBondContact CG2-ND2 3.45Å | ||
| 265 | Q | 27.1 | Very low | 34.8 | Very low | 10 Ų | 10 | 68.2 Ų | 68.2 | 5% | 0.047 | 32% | 0.322 | C | S | . | . | trans | -134.5 | 126 | 151.3 | -167 | -163.3 | -3.9 | 0 | 0 | 106.7 | R253 R256 T273 N274 R275 | R253-Q265 VanDerWaalsContact CZ-OE1 3.22Å; R253-Q265 VanDerWaalsContact NE-OE1 3.08Å; R253-Q265 VanDerWaalsContact NH2-NE2 3.18Å; R256-Q265 HydrophobicContact CB-CG 4.29Å; R256-Q265 WeakPolarHBondContact O-CB 3.44Å; Q265-T273 CarbonylContact C-O 3.39Å; Q265-N274 CarbonylContact O-C 3.22Å; Q265-R275 HydrophobicContact CB-CB 4.06Å; Q265-R275 HydrophobicContact CB-CG 4.23Å; Q265-R275 WeakPolarHBondContact O-CA 3.46Å; Q265-R275 WeakPolarHBondContact O-CB 3.22Å; Q265-R275 WeakPolarHBondContact O-CG 3.26Å; Q265-R275 PolarHBondContact O-N 3.31Å | ||
| 266 | V | 26 | Very low | 36.8 | Very low | 4 Ų | 4 | 67.9 Ų | 67.9 | 2% | 0.024 | 32% | 0.32 | C | S | . | . | trans | -88.3 | 145.1 | -170.2 | 163.5 | 0 | 0 | 0 | 0 | 111 | Y258 V264 D270 R271 T273 R275 | Y258-V266 HydrophobicContact CD2-CB 4.38Å; Y258-V266 HydrophobicContact CD2-CG2 4.08Å; Y258-V266 HydrophobicContact CE2-CB 3.9Å; Y258-V266 HydrophobicContact CE2-CG2 3.79Å; V264-V266 HydrophobicContact CG1-CG2 3.81Å; V266-D270 WeakPolarHBondContact CG1-O 3.37Å; V266-R271 HydrophobicContact CG1-CB 4.03Å; V266-R271 HydrophobicContact CG1-CG 4.16Å; V266-R271 WeakPolarHBondContact CG1-O 3.42Å; V266-R271 WeakPolarHBondContact CG2-O 3.39Å; V266-T273 WeakPolarHBondContact CA-O 3.47Å; V266-R275 PolarHBondContact O-NE 2.86Å; V266-R275 PolarHBondContact O-NH2 2.9Å | ||
| 267 | L | 24.7 | Very low | 38.7 | Very low | 40 Ų | 40 | 70 Ų | 70 | 21% | 0.209 | 33% | 0.334 | C | S | . | . | trans | -66.2 | 160.6 | 179.9 | -93.3 | 160.2 | 0 | 0 | 0 | 112.2 | E269 D270 E278 | L267-E269 PolarHBondContact O-N 2.9Å; L267-D270 WeakPolarHBondContact CA-O 3.17Å; L267-D270 HydrophobicContact CB-CB 4.11Å; L267-D270 WeakPolarHBondContact CB-O 3.06Å; L267-D270 HydrophobicContact CD1-CB 4.29Å; L267-D270 PolarHBondContact N-O 3.14Å; L267-E278 HydrophobicContact CD1-CG 4.48Å; L267-E278 WeakPolarHBondContact CD2-OE1 3.47Å; L267-E278 WeakPolarHBondContact CD2-OE2 3.2Å; L267-E278 WeakPolarHBondContact CG-OE2 3.32Å | ||
| 268 | M | 29.1 | Very low | 40.6 | Very low | 150 Ų | 150 | 69.8 Ų | 69.8 | 74% | 0.739 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -67.9 | -23 | 165.9 | -83 | -87.3 | -167.9 | 0 | 0 | 111.2 | ||
| 269 | E | 32.5 | Very low | 42.8 | Very low | 183 Ų | 183 | 66.2 Ų | 66.2 | 86% | 0.855 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -102.5 | -22.2 | -176 | -65.3 | 169.7 | -176.2 | 0 | 0 | 112.9 | L267 | L267-E269 PolarHBondContact O-N 2.9Š|
| 270 | D | 31.5 | Very low | 44.8 | Very low | 64 Ų | 64 | 64 Ų | 64 | 34% | 0.342 | 30% | 0.302 | S | S | . | . | trans | -142.1 | 124.1 | -175.7 | 174.9 | 11.4 | 0 | 0 | 0 | 110.5 | V266 L267 R272 T273 | V266-D270 WeakPolarHBondContact CG1-O 3.37Å; L267-D270 WeakPolarHBondContact CA-O 3.17Å; L267-D270 HydrophobicContact CB-CB 4.11Å; L267-D270 WeakPolarHBondContact CB-O 3.06Å; L267-D270 HydrophobicContact CD1-CB 4.29Å; L267-D270 PolarHBondContact N-O 3.14Å; D270-R272 VanDerWaalsContact C-N 3.31Å; D270-R272 PolarHBondContact O-N 3.37Å; D270-R272 PolarHBondContact OD1-N 3.48Å; D270-R272 VanDerWaalsContact OD1-N 3.17Å; D270-T273 PolarHBondContact OD2-OG1 2.93Å | ||
| 271 | R | 39.8 | Very low | 47.1 | Very low | 212 Ų | 212 | 60.5 Ų | 60.5 | 80% | 0.8 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -78.9 | 0.1 | -172.5 | -79 | -169.5 | -171.9 | 176.9 | 4.7 | 115.8 | V266 | V266-R271 HydrophobicContact CG1-CB 4.03Å; V266-R271 HydrophobicContact CG1-CG 4.16Å; V266-R271 WeakPolarHBondContact CG1-O 3.42Å; V266-R271 WeakPolarHBondContact CG2-O 3.39Å |
| 272 | R | 48.1 | Very low | 49.5 | Very low | 227 Ų | 227 | 60 Ų | 60 | 86% | 0.857 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -122.5 | -18.7 | -166.2 | -65.6 | -178.6 | 174.5 | 179.4 | -1.9 | 116 | D270 | D270-R272 VanDerWaalsContact C-N 3.31Å; D270-R272 PolarHBondContact O-N 3.37Å; D270-R272 PolarHBondContact OD1-N 3.48Å; D270-R272 VanDerWaalsContact OD1-N 3.17Å |
| 273 | T | 53.4 | Low | 52.1 | Low | 58 Ų | 58 | 59 Ų | 59 | 36% | 0.356 | 28% | 0.277 | S | S | . | . | trans | -89.9 | 137.1 | -169.3 | 21.6 | 0 | 0 | 0 | 0 | 113.7 | Q265 V266 D270 R275 | Q265-T273 CarbonylContact C-O 3.39Å; V266-T273 WeakPolarHBondContact CA-O 3.47Å; D270-T273 PolarHBondContact OD2-OG1 2.93Å; T273-R275 PolarHBondContact O-N 2.75Å | ||
| 274 | N | 62.5 | Low | 54.8 | Low | 23 Ų | 23 | 61.9 Ų | 61.9 | 12% | 0.123 | 29% | 0.289 | C | S | . | . | trans | -71.2 | 119.4 | 173.3 | 169.8 | -7.7 | 0 | 0 | 0 | 111.4 | C263 Q265 L276 V277 E278 | C263-N274 WeakPolarHBondContact CB-ND2 2.84Å; C263-N274 WeakPolarHBondContact CB-OD1 3.05Å; C263-N274 VanDerWaalsContact O-CB 3.26Å; C263-N274 WeakPolarHBondContact O-CB 3.24Å; C263-N274 PolarHBondContact O-ND2 2.72Å; C263-N274 PolarHBondContact O-OD1 2.87Å; Q265-N274 CarbonylContact O-C 3.22Å; N274-L276 VanDerWaalsContact C-N 3.31Å; N274-L276 PolarHBondContact O-N 2.86Å; N274-L276 WeakPolarHBondContact OD1-CA 3.49Å; N274-L276 WeakPolarHBondContact OD1-CB 3.35Å; N274-L276 PolarHBondContact OD1-N 3.16Å; N274-V277 HydrophobicContact CB-CB 4.13Å; N274-V277 HydrophobicContact CB-CG2 4.04Å; N274-V277 WeakPolarHBondContact ND2-CG2 3.24Å; N274-V277 WeakPolarHBondContact O-CB 3.48Å; N274-V277 PolarHBondContact O-N 3.39Å; N274-V277 VanDerWaalsContact O-N 3.12Å; N274-V277 PolarHBondContact OD1-N 3.07Å; N274-E278 PolarHBondContact O-N 2.97Å | ||
| 275 | R | 62.4 | Low | 57.5 | Low | 18 Ų | 18 | 64.6 Ų | 64.6 | 7% | 0.068 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65 | -25.2 | -179.9 | -90.7 | 174.7 | -152.1 | -116.8 | 8.5 | 115.5 | Q265 V266 T273 S279 | Q265-R275 HydrophobicContact CB-CB 4.06Å; Q265-R275 HydrophobicContact CB-CG 4.23Å; Q265-R275 WeakPolarHBondContact O-CA 3.46Å; Q265-R275 WeakPolarHBondContact O-CB 3.22Å; Q265-R275 WeakPolarHBondContact O-CG 3.26Å; Q265-R275 PolarHBondContact O-N 3.31Å; V266-R275 PolarHBondContact O-NE 2.86Å; V266-R275 PolarHBondContact O-NH2 2.9Å; T273-R275 PolarHBondContact O-N 2.75Å; R275-S279 WeakPolarHBondContact O-CB 3.46Å; R275-S279 PolarHBondContact O-N 3.11Å; R275-S279 PolarHBondContact O-OG 2.7Å |
| 276 | L | 71.1 | Confident | 59.8 | Low | 7 Ų | 7 | 64.5 Ų | 64.5 | 4% | 0.037 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -69.8 | -43.6 | 173 | -177.4 | 64 | 0 | 0 | 0 | 109.3 | C263 N274 E278 S279 M280 F320 L337 F341 | C263-L276 HydrophobicContact CB-CB 4.27Å; C263-L276 HydrophobicContact CB-CD2 4.42Å; C263-L276 WeakPolarHBondContact SG-CD2 3.21Å; N274-L276 VanDerWaalsContact C-N 3.31Å; N274-L276 PolarHBondContact O-N 2.86Å; N274-L276 WeakPolarHBondContact OD1-CA 3.49Å; N274-L276 WeakPolarHBondContact OD1-CB 3.35Å; N274-L276 PolarHBondContact OD1-N 3.16Å; L276-E278 VanDerWaalsContact C-N 3.33Å; L276-E278 PolarHBondContact O-N 2.83Å; L276-S279 WeakPolarHBondContact O-CB 3.49Å; L276-S279 PolarHBondContact O-N 3.14Å; L276-M280 HydrophobicContact CD1-CE 4.37Å; L276-M280 HydrophobicContact CD2-CE 4.1Å; L276-M280 HydrophobicContact CG-CE 3.91Å; L276-M280 WeakPolarHBondContact O-CG 3.29Å; L276-M280 PolarHBondContact O-N 2.68Å; L276-F320 HydrophobicContact CD2-CE2 3.79Å; L276-F320 HydrophobicContact CD2-CZ 3.67Å; L276-F320 HydrophobicContact CG-CZ 4.27Å; L276-L337 HydrophobicContact CD1-CD2 4.34Å; L276-L337 HydrophobicContact CD2-CD2 3.49Å; L276-L337 VanDerWaalsContact CD2-CD2 3.49Å; L276-F341 HydrophobicContact CD1-CE2 3.98Å; L276-F341 HydrophobicContact CD1-CZ 4Å |
| 277 | V | 74.4 | Confident | 62.4 | Low | 55 Ų | 55 | 65.6 Ų | 65.6 | 33% | 0.333 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.7 | -42.4 | 172.2 | 172.5 | 0 | 0 | 0 | 0 | 110.8 | N274 S279 M280 N281 F320 | N274-V277 HydrophobicContact CB-CB 4.13Å; N274-V277 HydrophobicContact CB-CG2 4.04Å; N274-V277 WeakPolarHBondContact ND2-CG2 3.24Å; N274-V277 WeakPolarHBondContact O-CB 3.48Å; N274-V277 PolarHBondContact O-N 3.39Å; N274-V277 VanDerWaalsContact O-N 3.12Å; N274-V277 PolarHBondContact OD1-N 3.07Å; V277-S279 VanDerWaalsContact C-N 3.33Å; V277-S279 PolarHBondContact O-N 3.32Å; V277-M280 WeakPolarHBondContact O-CB 3.32Å; V277-M280 PolarHBondContact O-N 3.01Å; V277-N281 VanDerWaalsContact O-CG 3.28Å; V277-N281 PolarHBondContact O-N 3.28Å; V277-F320 HydrophobicContact CG2-CE1 4.24Å; V277-F320 HydrophobicContact CG2-CZ 4.16Å |
| 278 | E | 70.9 | Confident | 65.2 | Low | 30 Ų | 30 | 65.5 Ų | 65.5 | 14% | 0.14 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.4 | -44.5 | 173.3 | -166 | -159.9 | 163.6 | 0 | 0 | 111.8 | L267 N274 L276 M280 N281 I282 | L267-E278 HydrophobicContact CD1-CG 4.48Å; L267-E278 WeakPolarHBondContact CD2-OE1 3.47Å; L267-E278 WeakPolarHBondContact CD2-OE2 3.2Å; L267-E278 WeakPolarHBondContact CG-OE2 3.32Å; N274-E278 PolarHBondContact O-N 2.97Å; L276-E278 VanDerWaalsContact C-N 3.33Å; L276-E278 PolarHBondContact O-N 2.83Å; E278-M280 VanDerWaalsContact C-N 3.29Å; E278-M280 PolarHBondContact O-N 3.48Å; E278-N281 PolarHBondContact O-N 3.33Å; E278-N281 VanDerWaalsContact O-N 3.17Å; E278-I282 HydrophobicContact CG-CD1 4.23Å; E278-I282 WeakPolarHBondContact O-CG1 3.45Å; E278-I282 PolarHBondContact O-N 3.45Å |
| 279 | S | 74 | Confident | 67.6 | Low | 7 Ų | 7 | 60.1 Ų | 60.1 | 5% | 0.049 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.7 | -37.1 | 176.8 | -60.4 | 0 | 0 | 0 | 0 | 111.6 | R275 L276 V277 F283 | R275-S279 WeakPolarHBondContact O-CB 3.46Å; R275-S279 PolarHBondContact O-N 3.11Å; R275-S279 PolarHBondContact O-OG 2.7Å; L276-S279 WeakPolarHBondContact O-CB 3.49Å; L276-S279 PolarHBondContact O-N 3.14Å; V277-S279 VanDerWaalsContact C-N 3.33Å; V277-S279 PolarHBondContact O-N 3.32Å; S279-F283 VanDerWaalsContact O-CB 3.32Å; S279-F283 WeakPolarHBondContact O-CB 3.47Å; S279-F283 PolarHBondContact O-N 3.22Å |
| 280 | M | 79.1 | Confident | 69.8 | Low | 12 Ų | 12 | 59.9 Ų | 59.9 | 6% | 0.059 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.1 | -41.5 | 173 | -69.4 | 173.9 | -178 | 0 | 0 | 111.9 | L276 V277 E278 F283 E284 F320 F341 K344 | L276-M280 HydrophobicContact CD1-CE 4.37Å; L276-M280 HydrophobicContact CD2-CE 4.1Å; L276-M280 HydrophobicContact CG-CE 3.91Å; L276-M280 WeakPolarHBondContact O-CG 3.29Å; L276-M280 PolarHBondContact O-N 2.68Å; V277-M280 WeakPolarHBondContact O-CB 3.32Å; V277-M280 PolarHBondContact O-N 3.01Å; E278-M280 VanDerWaalsContact C-N 3.29Å; E278-M280 PolarHBondContact O-N 3.48Å; M280-F283 PolarHBondContact O-N 3.45Å; M280-E284 WeakPolarHBondContact O-CB 3.23Å; M280-E284 PolarHBondContact O-N 3.09Å; M280-F320 HydrophobicContact CE-CE1 4.35Å; M280-F341 HydrophobicContact CB-CE1 4.16Å; M280-F341 HydrophobicContact CB-CZ 4.4Å; M280-F341 HydrophobicContact CE-CD2 4.44Å; M280-F341 HydrophobicContact CE-CE2 3.97Å; M280-F341 HydrophobicContact CE-CZ 4.31Å; M280-F341 HydrophobicContact CG-CD1 4.14Å; M280-F341 HydrophobicContact CG-CE1 3.59Å; M280-F341 HydrophobicContact CG-CE2 3.98Å; M280-F341 HydrophobicContact CG-CZ 3.43Å; M280-F341 VanDerWaalsContact CG-CZ 3.43Å; M280-K344 HydrophobicContact CB-CG 4.4Å |
| 281 | N | 79.6 | Confident | 71.7 | Confident | 74 Ų | 74 | 61.7 Ų | 61.7 | 40% | 0.396 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67.6 | -40.6 | 178.2 | -67.1 | -16.8 | 0 | 0 | 0 | 111.9 | V277 E278 F283 E284 T285 | V277-N281 VanDerWaalsContact O-CG 3.28Å; V277-N281 PolarHBondContact O-N 3.28Å; E278-N281 PolarHBondContact O-N 3.33Å; E278-N281 VanDerWaalsContact O-N 3.17Å; N281-F283 VanDerWaalsContact C-N 3.35Å; N281-E284 PolarHBondContact O-N 3.21Å; N281-T285 PolarHBondContact O-N 2.82Å; N281-T285 PolarHBondContact O-OG1 3.26Å |
| 282 | I | 75.1 | Confident | 73 | Confident | 25 Ų | 25 | 52.1 Ų | 52.1 | 13% | 0.128 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.2 | -46.3 | 172.5 | -68.4 | 166.8 | 0 | 0 | 0 | 110.2 | A68 E278 T285 I286 | A68-I282 HydrophobicContact CB-CD1 4.29Å; E278-I282 HydrophobicContact CG-CD1 4.23Å; E278-I282 WeakPolarHBondContact O-CG1 3.45Å; E278-I282 PolarHBondContact O-N 3.45Å; I282-T285 PolarHBondContact O-N 3.26Å; I282-I286 HydrophobicContact CG2-CD1 3.7Å; I282-I286 WeakPolarHBondContact O-CD1 3.28Å; I282-I286 WeakPolarHBondContact O-CG1 3.13Å; I282-I286 PolarHBondContact O-N 2.83Å; I282-I286 VanDerWaalsContact O-N 3.15Å |
| 283 | F | 81.2 | Confident | 74 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.8 | -45.5 | 176.8 | 178.5 | -103.9 | 0 | 0 | 0 | 111.9 | L250 S279 M280 N281 T285 I286 V287 I297 F341 K344 R345 L352 | L250-F283 HydrophobicContact CD1-CD2 4.03Å; L250-F283 HydrophobicContact CD2-CB 4.41Å; L250-F283 HydrophobicContact CD2-CD2 3.64Å; L250-F283 HydrophobicContact CD2-CE2 4.46Å; L250-F283 HydrophobicContact CG-CD2 4.35Å; S279-F283 VanDerWaalsContact O-CB 3.32Å; S279-F283 WeakPolarHBondContact O-CB 3.47Å; S279-F283 PolarHBondContact O-N 3.22Å; M280-F283 PolarHBondContact O-N 3.45Å; N281-F283 VanDerWaalsContact C-N 3.35Å; F283-T285 VanDerWaalsContact C-N 3.26Å; F283-T285 PolarHBondContact O-N 2.9Å; F283-I286 PolarHBondContact O-N 3.43Å; F283-I286 VanDerWaalsContact O-N 3.11Å; F283-V287 HydrophobicContact CD1-CB 4.5Å; F283-V287 HydrophobicContact CD1-CG1 4.12Å; F283-V287 HydrophobicContact CE1-CB 4.1Å; F283-V287 HydrophobicContact CE1-CG1 3.88Å; F283-V287 HydrophobicContact CE1-CG2 4.31Å; F283-V287 HydrophobicContact CE2-CB 4.24Å; F283-V287 HydrophobicContact CE2-CG2 4.44Å; F283-V287 HydrophobicContact CZ-CB 3.98Å; F283-V287 HydrophobicContact CZ-CG1 4.29Å; F283-V287 HydrophobicContact CZ-CG2 3.93Å; F283-V287 WeakPolarHBondContact O-CB 3.37Å; F283-V287 VanDerWaalsContact O-CG1 3.29Å; F283-V287 WeakPolarHBondContact O-CG1 3.4Å; F283-V287 PolarHBondContact O-N 3.41Å; F283-I297 HydrophobicContact CE2-CG2 4.06Å; F283-F341 HydrophobicContact CB-CD1 3.88Å; F283-F341 HydrophobicContact CB-CE1 3.98Å; F283-F341 HydrophobicContact CD1-CB 4.32Å; F283-F341 AromaticContact CD1-CD1 3.69Å; F283-F341 HydrophobicContact CD1-CD1 3.69Å; F283-F341 HydrophobicContact CD2-CD1 4.46Å; F283-F341 HydrophobicContact CE1-CB 4.19Å; F283-F341 HydrophobicContact CE1-CD1 4.33Å; F283-F341 VanDerWaalsContact CE1-O 3.28Å; F283-F341 WeakPolarHBondContact CE1-O 3.2Å; F283-F341 AromaticContact CG-CD1 3.74Å; F283-F341 HydrophobicContact CG-CD1 3.74Å; F283-F341 HydrophobicContact CG-CE1 4.33Å; F283-K344 HydrophobicContact CD1-CB 4.22Å; F283-R345 HydrophobicContact CE1-CG 3.94Å; F283-R345 HydrophobicContact CZ-CG 4.29Å; F283-L352 HydrophobicContact CZ-CD1 3.96Å |
| 284 | E | 85.1 | Confident | 74.7 | Confident | 65 Ų | 65 | 50.8 Ų | 50.8 | 30% | 0.304 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -56.3 | -41.2 | 176.9 | -175.9 | 171.2 | -173.2 | 0 | 0 | 111.8 | M280 N281 I286 N288 K344 | M280-E284 WeakPolarHBondContact O-CB 3.23Å; M280-E284 PolarHBondContact O-N 3.09Å; N281-E284 PolarHBondContact O-N 3.21Å; E284-I286 VanDerWaalsContact C-N 3.34Å; E284-I286 PolarHBondContact O-N 3.45Å; E284-N288 WeakPolarHBondContact CG-ND2 3.44Å; E284-N288 VanDerWaalsContact O-CB 3.31Å; E284-N288 WeakPolarHBondContact O-CB 3.45Å; E284-N288 PolarHBondContact O-N 3.37Å; E284-N288 PolarHBondContact O-ND2 3.31Å; E284-K344 HydrophobicContact CB-CB 4.01Å; E284-K344 HydrophobicContact CB-CD 4.37Å; E284-K344 HydrophobicContact CB-CG 4.36Å; E284-K344 HydrophobicContact CG-CB 4.28Å; E284-K344 HydrophobicContact CG-CD 4.42Å; E284-K344 WeakPolarHBondContact OE2-CD 3.08Å; E284-K344 WeakPolarHBondContact OE2-CE 3.44Å; E284-K344 IonicContact OE2-NZ 4Å; E284-K344 PolarHBondContact OE2-NZ 3.43Å |
| 285 | T | 78.9 | Confident | 75 | Confident | 92 Ų | 92 | 50.9 Ų | 50.9 | 56% | 0.564 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -68 | -36.4 | 179.3 | -55.1 | 0 | 0 | 0 | 0 | 111.4 | N281 I282 F283 | N281-T285 PolarHBondContact O-N 2.82Å; N281-T285 PolarHBondContact O-OG1 3.26Å; I282-T285 PolarHBondContact O-N 3.26Å; F283-T285 VanDerWaalsContact C-N 3.26Å; F283-T285 PolarHBondContact O-N 2.9Å |
| 286 | I | 76.6 | Confident | 75.3 | Confident | 9 Ų | 9 | 50.9 Ų | 50.9 | 5% | 0.046 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -80.1 | -50.5 | -177.4 | -66.3 | 162.2 | 0 | 0 | 0 | 110.5 | L66 W239 L250 I282 F283 E284 N288 N289 F292 | L66-I286 HydrophobicContact CB-CD1 4.41Å; L66-I286 HydrophobicContact CD1-CD1 3.98Å; L66-I286 HydrophobicContact CD1-CG2 4.25Å; W239-I286 HydrophobicContact CZ3-CD1 4.23Å; L250-I286 HydrophobicContact CD1-CB 3.78Å; L250-I286 HydrophobicContact CD1-CD1 3.41Å; L250-I286 VanDerWaalsContact CD1-CD1 3.41Å; L250-I286 HydrophobicContact CD1-CG1 4.18Å; L250-I286 HydrophobicContact CD1-CG2 3.56Å; I282-I286 HydrophobicContact CG2-CD1 3.7Å; I282-I286 WeakPolarHBondContact O-CD1 3.28Å; I282-I286 WeakPolarHBondContact O-CG1 3.13Å; I282-I286 PolarHBondContact O-N 2.83Å; I282-I286 VanDerWaalsContact O-N 3.15Å; F283-I286 PolarHBondContact O-N 3.43Å; F283-I286 VanDerWaalsContact O-N 3.11Å; E284-I286 VanDerWaalsContact C-N 3.34Å; E284-I286 PolarHBondContact O-N 3.45Å; I286-N288 PolarHBondContact O-N 3.32Å; I286-N289 WeakPolarHBondContact O-CB 3.19Å; I286-N289 PolarHBondContact O-N 3.49Å; I286-N289 VanDerWaalsContact O-N 3.12Å; I286-F292 HydrophobicContact CG2-CD2 3.85Å; I286-F292 HydrophobicContact CG2-CE2 3.95Å; I286-F292 WeakPolarHBondContact O-CD2 3.29Å |
| 287 | V | 80 | Confident | 75.5 | Confident | 26 Ų | 26 | 51.6 Ų | 51.6 | 16% | 0.158 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.4 | -24.9 | -174.5 | 76.5 | 0 | 0 | 0 | 0 | 113.3 | F283 I297 R345 | F283-V287 HydrophobicContact CD1-CB 4.5Å; F283-V287 HydrophobicContact CD1-CG1 4.12Å; F283-V287 HydrophobicContact CE1-CB 4.1Å; F283-V287 HydrophobicContact CE1-CG1 3.88Å; F283-V287 HydrophobicContact CE1-CG2 4.31Å; F283-V287 HydrophobicContact CE2-CB 4.24Å; F283-V287 HydrophobicContact CE2-CG2 4.44Å; F283-V287 HydrophobicContact CZ-CB 3.98Å; F283-V287 HydrophobicContact CZ-CG1 4.29Å; F283-V287 HydrophobicContact CZ-CG2 3.93Å; F283-V287 WeakPolarHBondContact O-CB 3.37Å; F283-V287 VanDerWaalsContact O-CG1 3.29Å; F283-V287 WeakPolarHBondContact O-CG1 3.4Å; F283-V287 PolarHBondContact O-N 3.41Å; V287-I297 HydrophobicContact CB-CD1 4.29Å; V287-I297 HydrophobicContact CG2-CD1 3.96Å; V287-R345 HydrophobicContact CB-CG 4.48Å; V287-R345 HydrophobicContact CG1-CG 3.98Å; V287-R345 HydrophobicContact CG2-CG 3.75Å |
| 288 | N | 84.1 | Confident | 75.6 | Confident | 39 Ų | 39 | 49 Ų | 49 | 21% | 0.209 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 5.4 | 178.8 | -60.1 | -48 | 0 | 0 | 0 | 113.2 | E284 I286 K344 R346 | E284-N288 WeakPolarHBondContact CG-ND2 3.44Å; E284-N288 VanDerWaalsContact O-CB 3.31Å; E284-N288 WeakPolarHBondContact O-CB 3.45Å; E284-N288 PolarHBondContact O-N 3.37Å; E284-N288 PolarHBondContact O-ND2 3.31Å; I286-N288 PolarHBondContact O-N 3.32Å; N288-K344 PolarHBondContact ND2-O 2.57Å; N288-R346 WeakPolarHBondContact OD1-CB 3.33Å; N288-R346 WeakPolarHBondContact OD1-CG 3.38Å; N288-R346 PolarHBondContact OD1-N 3.15Å |
| 289 | N | 79 | Confident | 76.1 | Confident | 37 Ų | 37 | 47.6 Ų | 47.6 | 20% | 0.198 | 25% | 0.249 | C | C | . | . | trans | -78.1 | 132.2 | 179.1 | -164.1 | -50 | 0 | 0 | 0 | 111.1 | F240 I286 L291 F292 | F240-N289 VanDerWaalsContact CE1-ND2 3.35Å; F240-N289 WeakPolarHBondContact CE1-ND2 3.49Å; I286-N289 WeakPolarHBondContact O-CB 3.19Å; I286-N289 PolarHBondContact O-N 3.49Å; I286-N289 VanDerWaalsContact O-N 3.12Å; N289-L291 PolarHBondContact O-N 3.02Å; N289-L291 WeakPolarHBondContact OD1-CB 3.37Å; N289-L291 WeakPolarHBondContact OD1-CG 3.21Å; N289-L291 PolarHBondContact OD1-N 2.89Å; N289-F292 HydrophobicContact CB-CD2 3.74Å; N289-F292 HydrophobicContact CB-CE2 4.2Å; N289-F292 PolarHBondContact O-N 3.35Å | ||
| 290 | K | 79.1 | Confident | 76.3 | Confident | 177 Ų | 177 | 47.2 Ų | 47.2 | 77% | 0.77 | 25% | 0.246 | S | C | * | . | G | 310 helix | trans | -57.4 | -30.7 | 178 | -67.1 | -175.3 | 179.4 | -177.8 | 0 | 113.1 | F292 L293 | K290-F292 PolarHBondContact O-N 3.14Å; K290-L293 HydrophobicContact CB-CD1 4.28Å; K290-L293 WeakPolarHBondContact O-CD1 3.38Å; K290-L293 WeakPolarHBondContact O-CG 3.42Å; K290-L293 PolarHBondContact O-N 3.14Å |
| 291 | L | 70.9 | Confident | 76.2 | Confident | 102 Ų | 102 | 46.8 Ų | 46.8 | 53% | 0.534 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -65.8 | -16.9 | 178 | -63.1 | 173.6 | 0 | 0 | 0 | 113.4 | F240 N289 | F240-L291 HydrophobicContact CD1-CD1 3.67Å; F240-L291 HydrophobicContact CE1-CD1 4.32Å; N289-L291 PolarHBondContact O-N 3.02Å; N289-L291 WeakPolarHBondContact OD1-CB 3.37Å; N289-L291 WeakPolarHBondContact OD1-CG 3.21Å; N289-L291 PolarHBondContact OD1-N 2.89Å |
| 292 | F | 67.7 | Low | 75.8 | Confident | 11 Ų | 11 | 43.3 Ų | 43.3 | 5% | 0.048 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -112.4 | 13.5 | -177.6 | -56.5 | -48.9 | 0 | 0 | 0 | 113.9 | F243 N248 I286 N289 K290 N294 V295 I297 | F243-F292 AromaticContact CD1-CE1 3.53Å; F243-F292 HydrophobicContact CD1-CE1 3.53Å; F243-F292 AromaticContact CD1-CZ 3.98Å; F243-F292 HydrophobicContact CD1-CZ 3.98Å; F243-F292 HydrophobicContact CD2-CE1 4.44Å; F243-F292 HydrophobicContact CD2-CZ 4.24Å; F243-F292 AromaticContact CE1-CE1 3.44Å; F243-F292 HydrophobicContact CE1-CE1 3.44Å; F243-F292 VanDerWaalsContact CE1-CE1 3.44Å; F243-F292 AromaticContact CE1-CZ 3.55Å; F243-F292 HydrophobicContact CE1-CZ 3.55Å; F243-F292 HydrophobicContact CE2-CE1 4.37Å; F243-F292 AromaticContact CE2-CZ 3.85Å; F243-F292 HydrophobicContact CE2-CZ 3.85Å; F243-F292 HydrophobicContact CG-CE1 4.03Å; F243-F292 HydrophobicContact CG-CZ 4.29Å; F243-F292 AromaticContact CZ-CE1 3.93Å; F243-F292 HydrophobicContact CZ-CE1 3.93Å; F243-F292 AromaticContact CZ-CZ 3.52Å; F243-F292 HydrophobicContact CZ-CZ 3.52Å; N248-F292 WeakPolarHBondContact ND2-CD1 3.1Å; N248-F292 WeakPolarHBondContact ND2-CE1 3.05Å; I286-F292 HydrophobicContact CG2-CD2 3.85Å; I286-F292 HydrophobicContact CG2-CE2 3.95Å; I286-F292 WeakPolarHBondContact O-CD2 3.29Å; N289-F292 HydrophobicContact CB-CD2 3.74Å; N289-F292 HydrophobicContact CB-CE2 4.2Å; N289-F292 PolarHBondContact O-N 3.35Å; K290-F292 PolarHBondContact O-N 3.14Å; F292-N294 VanDerWaalsContact C-N 3.27Å; F292-N294 PolarHBondContact O-N 3.33Å; F292-V295 HydrophobicContact CB-CB 4.16Å; F292-V295 HydrophobicContact CD1-CB 4.33Å; F292-V295 HydrophobicContact CD1-CG1 4.5Å; F292-V295 HydrophobicContact CD1-CG2 4.12Å; F292-V295 PolarHBondContact O-N 3.48Å; F292-V295 VanDerWaalsContact O-N 3.1Å; F292-I297 HydrophobicContact CB-CD1 4.35Å |
| 293 | L | 69.9 | Low | 75.5 | Confident | 104 Ų | 104 | 43.3 Ų | 43.3 | 55% | 0.545 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -38.8 | 179.8 | -72.8 | 169.2 | 0 | 0 | 0 | 113.2 | K290 V295 K350 | K290-L293 HydrophobicContact CB-CD1 4.28Å; K290-L293 WeakPolarHBondContact O-CD1 3.38Å; K290-L293 WeakPolarHBondContact O-CG 3.42Å; K290-L293 PolarHBondContact O-N 3.14Å; L293-V295 VanDerWaalsContact C-N 3.35Å; L293-K350 PolarHBondContact O-NZ 3.33Å; L293-K350 VanDerWaalsContact O-NZ 3.14Å |
| 294 | N | 67.1 | Low | 75.3 | Confident | 153 Ų | 153 | 44.2 Ų | 44.2 | 82% | 0.818 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | 18 | -179.9 | -61.8 | -10.4 | 0 | 0 | 0 | 112.2 | F292 | F292-N294 VanDerWaalsContact C-N 3.27Å; F292-N294 PolarHBondContact O-N 3.33Å |
| 295 | V | 68.8 | Low | 74.8 | Confident | 25 Ų | 25 | 43.4 Ų | 43.4 | 15% | 0.152 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -111.3 | 128 | -179.3 | 173.1 | 0 | 0 | 0 | 0 | 109.1 | V246 N248 F292 L293 I297 | V246-V295 WeakPolarHBondContact O-CG1 3.48Å; V246-V295 VanDerWaalsContact O-CG2 3.25Å; V246-V295 WeakPolarHBondContact O-CG2 3.27Å; N248-V295 HydrophobicContact CB-CG1 3.76Å; N248-V295 VanDerWaalsContact N-CG1 3.33Å; F292-V295 HydrophobicContact CB-CB 4.16Å; F292-V295 HydrophobicContact CD1-CB 4.33Å; F292-V295 HydrophobicContact CD1-CG1 4.5Å; F292-V295 HydrophobicContact CD1-CG2 4.12Å; F292-V295 PolarHBondContact O-N 3.48Å; F292-V295 VanDerWaalsContact O-N 3.1Å; L293-V295 VanDerWaalsContact C-N 3.35Å; V295-I297 PolarHBondContact O-N 3.01Å |
| 296 | S | 68.6 | Low | 74.4 | Confident | 19 Ų | 19 | 41.4 Ų | 41.4 | 13% | 0.133 | 21% | 0.213 | C | C | . | . | trans | -65 | 127.9 | 169.3 | -26.3 | 0 | 0 | 0 | 0 | 109.2 | N248 E379 | N248-S296 PolarHBondContact N-O 3.35Å; S296-E379 WeakPolarHBondContact CB-OE2 3.38Å; S296-E379 PolarHBondContact OG-OE2 2.92Å | ||
| 297 | I | 74.6 | Confident | 74.4 | Confident | 22 Ų | 22 | 41.2 Ų | 41.2 | 11% | 0.113 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 118 | 177.9 | -62.1 | 171 | 0 | 0 | 0 | 108.2 | N248 L250 F283 V287 F292 V295 | N248-I297 WeakPolarHBondContact O-CA 2.95Å; L250-I297 HydrophobicContact CB-CG2 4.26Å; F283-I297 HydrophobicContact CE2-CG2 4.06Å; V287-I297 HydrophobicContact CB-CD1 4.29Å; V287-I297 HydrophobicContact CG2-CD1 3.96Å; F292-I297 HydrophobicContact CB-CD1 4.35Å; V295-I297 PolarHBondContact O-N 3.01Å |
| 298 | I | 77.5 | Confident | 74.3 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 126.3 | 177.2 | -55.3 | 172.3 | 0 | 0 | 0 | 109 | N248 L250 F300 F353 V372 I376 | N248-I298 PolarHBondContact O-N 2.92Å; L250-I298 CarbonylContact C-O 3.4Å; L250-I298 PolarHBondContact N-O 3.45Å; I298-F300 HydrophobicContact CG2-CE1 4.12Å; I298-F353 WeakPolarHBondContact CA-O 3.42Å; I298-F353 HydrophobicContact CB-CB 4.46Å; I298-F353 HydrophobicContact CG1-CB 4.05Å; I298-F353 HydrophobicContact CG2-CB 4.27Å; I298-V372 HydrophobicContact CD1-CB 4.11Å; I298-V372 HydrophobicContact CD1-CG1 3.59Å; I298-V372 HydrophobicContact CD1-CG2 3.93Å; I298-V372 HydrophobicContact CG2-CG2 4.2Å; I298-I376 HydrophobicContact CD1-CD1 4.24Å; I298-I376 HydrophobicContact CD1-CG1 4.22Å |
| 299 | L | 80.6 | Confident | 73.9 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 112.4 | -178.7 | 176.1 | 63.6 | 0 | 0 | 0 | 111.2 | L250 V252 L301 F341 L352 F353 H354 H355 | L250-L299 HydrophobicContact CD2-CD1 4.48Å; L250-L299 WeakPolarHBondContact O-CA 3.06Å; V252-L299 HydrophobicContact CB-CD1 3.53Å; V252-L299 HydrophobicContact CG1-CD1 4.46Å; V252-L299 HydrophobicContact CG2-CD1 3.19Å; L299-L301 HydrophobicContact CD2-CD1 4.18Å; L299-L301 HydrophobicContact CG-CD1 4.31Å; L299-L301 HydrophobicContact CG-CG 4.44Å; L299-F341 HydrophobicContact CD1-CD1 4.38Å; L299-F341 HydrophobicContact CD2-CB 3.64Å; L299-F341 HydrophobicContact CD2-CD1 4.37Å; L299-F341 HydrophobicContact CD2-CD2 4.16Å; L299-F341 HydrophobicContact CD2-CG 3.79Å; L299-L352 HydrophobicContact CB-CD1 4.19Å; L299-L352 HydrophobicContact CD2-CD2 4.03Å; L299-F353 PolarHBondContact N-O 3.35Å; L299-H354 HydrophobicContact CB-CB 3.92Å; L299-H354 HydrophobicContact CD2-CB 4.35Å; L299-H354 HydrophobicContact CG-CB 4.32Å; L299-H354 CarbonylContact O-C 3.47Å; L299-H354 WeakPolarHBondContact O-CA 3.48Å; L299-H354 WeakPolarHBondContact O-CB 3.33Å; L299-H355 PolarHBondContact O-N 3.17Å |
| 300 | F | 78.3 | Confident | 73.4 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 123 | 169.2 | -68.4 | -43 | 0 | 0 | 0 | 111.5 | F76 V249 L250 R251 V252 I298 H355 T357 V368 V372 | F76-F300 HydrophobicContact CD2-CE2 4.46Å; F76-F300 HydrophobicContact CE1-CE2 4.39Å; F76-F300 HydrophobicContact CE2-CD2 4.34Å; F76-F300 AromaticContact CE2-CE2 3.67Å; F76-F300 HydrophobicContact CE2-CE2 3.67Å; F76-F300 HydrophobicContact CE2-CZ 4.08Å; F76-F300 AromaticContact CZ-CE2 3.62Å; F76-F300 HydrophobicContact CZ-CE2 3.62Å; F76-F300 HydrophobicContact CZ-CZ 4.03Å; V249-F300 HydrophobicContact CG1-CD2 3.46Å; V249-F300 VanDerWaalsContact CG1-CD2 3.46Å; V249-F300 HydrophobicContact CG1-CE2 3.08Å; V249-F300 HydrophobicContact CG1-CZ 3.92Å; L250-F300 PolarHBondContact O-N 2.78Å; R251-F300 HydrophobicContact CB-CB 4.05Å; R251-F300 HydrophobicContact CB-CD2 4.32Å; R251-F300 HydrophobicContact CG-CB 3.7Å; R251-F300 HydrophobicContact CG-CD2 4.43Å; R251-F300 VanDerWaalsContact NH1-CD2 3.26Å; R251-F300 VanDerWaalsContact NH1-CG 3.31Å; V252-F300 CarbonylContact C-O 3.48Å; V252-F300 WeakPolarHBondContact CA-O 3.39Å; V252-F300 PolarHBondContact N-O 3.42Å; I298-F300 HydrophobicContact CG2-CE1 4.12Å; F300-H355 WeakPolarHBondContact CA-O 3.36Å; F300-H355 HydrophobicContact CD1-CB 3.91Å; F300-H355 HydrophobicContact CE1-CB 4.06Å; F300-H355 AromaticContact CE1-CD2 3.71Å; F300-T357 HydrophobicContact CD1-CG2 4.08Å; F300-V368 HydrophobicContact CD1-CG1 3.99Å; F300-V368 HydrophobicContact CE1-CG1 3.17Å; F300-V368 HydrophobicContact CZ-CG1 3.75Å; F300-V372 HydrophobicContact CE1-CG2 3.91Å; F300-V372 HydrophobicContact CZ-CG2 3.7Å |
| 301 | L | 77.8 | Confident | 73.5 | Confident | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 95 | 169.5 | -69.9 | 128 | 0 | 0 | 0 | 108 | L299 L337 V338 F341 H354 H355 F356 T357 | L299-L301 HydrophobicContact CD2-CD1 4.18Å; L299-L301 HydrophobicContact CG-CD1 4.31Å; L299-L301 HydrophobicContact CG-CG 4.44Å; L301-L337 HydrophobicContact CD2-CB 4Å; L301-L337 HydrophobicContact CD2-CD1 4.32Å; L301-V338 HydrophobicContact CD1-CG2 3.78Å; L301-F341 HydrophobicContact CD2-CE2 4.45Å; L301-H354 HydrophobicContact CD1-CB 4.42Å; L301-H355 PolarHBondContact N-O 3.45Å; L301-F356 HydrophobicContact CB-CD1 3.64Å; L301-F356 HydrophobicContact CB-CE1 3.84Å; L301-F356 HydrophobicContact CD1-CD1 4.12Å; L301-F356 HydrophobicContact CD1-CE1 3.62Å; L301-F356 HydrophobicContact CD1-CZ 3.91Å; L301-F356 HydrophobicContact CD2-CE1 4.33Å; L301-F356 HydrophobicContact CG-CD1 4.4Å; L301-F356 HydrophobicContact CG-CE1 4.12Å; L301-F356 WeakPolarHBondContact O-CA 3.48Å; L301-T357 PolarHBondContact O-N 2.68Å; L301-T357 PolarHBondContact O-OG1 2.99Å |
| 302 | N | 70.6 | Confident | 73.9 | Confident | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.011 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 156.3 | -173.5 | -168.4 | 23 | 0 | 0 | 0 | 112.7 | S71 R251 V252 S254 T357 A359 | S71-N302 PolarHBondContact O-ND2 3.35Å; R251-N302 HydrophobicContact CG-CB 4.2Å; R251-N302 VanDerWaalsContact NE-CG 3.31Å; R251-N302 PolarHBondContact NE-ND2 3.07Å; R251-N302 PolarHBondContact NH2-OD1 3Å; V252-N302 PolarHBondContact O-N 3.45Å; S254-N302 WeakPolarHBondContact CA-O 3.34Å; S254-N302 WeakPolarHBondContact CB-O 3.28Å; S254-N302 PolarHBondContact N-O 3.22Å; N302-T357 CarbonylContact C-O 3.56Å; N302-T357 VanDerWaalsContact CA-O 3.26Å; N302-T357 WeakPolarHBondContact CA-O 3.22Å; N302-T357 PolarHBondContact OD1-O 3.2Å; N302-A359 WeakPolarHBondContact OD1-CB 3.17Å; N302-A359 PolarHBondContact OD1-N 2.69Å |
| 303 | K | 70.3 | Confident | 74.3 | Confident | 24 Ų | 24 | 45.4 Ų | 45.4 | 10% | 0.104 | 23% | 0.231 | C | C | . | . | trans | 73.3 | 43.2 | 177.9 | -53.4 | 172.7 | -179.5 | 174.6 | 0 | 112.8 | E70 D305 L306 L307 T357 | E70-K303 PolarHBondContact O-NZ 2.95Å; K303-D305 WeakPolarHBondContact CA-OD1 3.31Å; K303-D305 PolarHBondContact O-N 3.17Å; K303-L306 HydrophobicContact CB-CB 4.31Å; K303-L306 HydrophobicContact CB-CD1 4.16Å; K303-L306 HydrophobicContact CB-CG 4.36Å; K303-L306 HydrophobicContact CD-CD1 4.06Å; K303-L306 HydrophobicContact CG-CD1 4.41Å; K303-L306 PolarHBondContact O-N 3.36Å; K303-L307 PolarHBondContact O-N 3.5Å; K303-L307 VanDerWaalsContact O-N 3.15Å; K303-T357 PolarHBondContact N-O 3.38Å | ||
| 304 | T | 76.4 | Confident | 74.4 | Confident | 20 Ų | 20 | 42.2 Ų | 42.2 | 12% | 0.123 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.1 | -35.3 | 177.3 | -47.7 | 0 | 0 | 0 | 0 | 111.6 | L306 L307 V308 F356 T357 | T304-L306 VanDerWaalsContact C-N 3.35Å; T304-L306 PolarHBondContact O-N 3.33Å; T304-L307 WeakPolarHBondContact O-CB 3.33Å; T304-L307 PolarHBondContact O-N 2.78Å; T304-L307 VanDerWaalsContact O-N 3.09Å; T304-V308 WeakPolarHBondContact O-CG2 3.44Å; T304-V308 PolarHBondContact O-N 2.89Å; T304-F356 HydrophobicContact CG2-CB 4.38Å; T304-T357 PolarHBondContact N-O 3.19Å; T304-T357 PolarHBondContact OG1-N 3.46Å; T304-T357 PolarHBondContact OG1-O 2.93Å |
| 305 | D | 74.1 | Confident | 75 | Confident | 47 Ų | 47 | 36.6 Ų | 36.6 | 25% | 0.251 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -49.8 | -51.5 | 170.5 | 59.7 | -44.3 | 0 | 0 | 0 | 112.3 | K303 L307 V308 E309 T358 | K303-D305 WeakPolarHBondContact CA-OD1 3.31Å; K303-D305 PolarHBondContact O-N 3.17Å; D305-L307 VanDerWaalsContact C-N 3.31Å; D305-L307 PolarHBondContact O-N 2.97Å; D305-V308 PolarHBondContact O-N 3.3Å; D305-E309 PolarHBondContact O-N 2.93Å; D305-T358 HydrophobicContact CB-CG2 3.97Å |
| 306 | L | 71.1 | Confident | 75.5 | Confident | 50 Ų | 50 | 35.6 Ų | 35.6 | 26% | 0.262 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -72.1 | -26 | 179.3 | -61.1 | -178.6 | 0 | 0 | 0 | 112.9 | K303 T304 K310 | K303-L306 HydrophobicContact CB-CB 4.31Å; K303-L306 HydrophobicContact CB-CD1 4.16Å; K303-L306 HydrophobicContact CB-CG 4.36Å; K303-L306 HydrophobicContact CD-CD1 4.06Å; K303-L306 HydrophobicContact CG-CD1 4.41Å; K303-L306 PolarHBondContact O-N 3.36Å; T304-L306 VanDerWaalsContact C-N 3.35Å; T304-L306 PolarHBondContact O-N 3.33Å; L306-K310 WeakPolarHBondContact O-CB 3.48Å; L306-K310 WeakPolarHBondContact O-CD 3.14Å; L306-K310 VanDerWaalsContact O-CG 3.24Å; L306-K310 WeakPolarHBondContact O-CG 3.3Å; L306-K310 PolarHBondContact O-N 3.15Å |
| 307 | L | 75.3 | Confident | 76.2 | Confident | 5 Ų | 5 | 40.5 Ų | 40.5 | 3% | 0.026 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.1 | -43.5 | 174.7 | 179.6 | 62.7 | 0 | 0 | 0 | 110.5 | K303 T304 D305 E309 K310 I311 L330 V333 Q334 L337 | K303-L307 PolarHBondContact O-N 3.5Å; K303-L307 VanDerWaalsContact O-N 3.15Å; T304-L307 WeakPolarHBondContact O-CB 3.33Å; T304-L307 PolarHBondContact O-N 2.78Å; T304-L307 VanDerWaalsContact O-N 3.09Å; D305-L307 VanDerWaalsContact C-N 3.31Å; D305-L307 PolarHBondContact O-N 2.97Å; L307-E309 PolarHBondContact O-N 3Å; L307-K310 PolarHBondContact O-N 2.76Å; L307-K310 VanDerWaalsContact O-N 3.11Å; L307-I311 HydrophobicContact CD1-CD1 4Å; L307-I311 HydrophobicContact CD1-CG1 4.09Å; L307-I311 HydrophobicContact CD2-CD1 4.47Å; L307-I311 HydrophobicContact CG-CD1 3.82Å; L307-I311 HydrophobicContact CG-CG1 4.34Å; L307-I311 WeakPolarHBondContact O-CG1 3.41Å; L307-I311 PolarHBondContact O-N 3.49Å; L307-L330 HydrophobicContact CD2-CD1 3.98Å; L307-L330 HydrophobicContact CG-CD1 4.12Å; L307-V333 HydrophobicContact CD1-CG1 4.19Å; L307-Q334 HydrophobicContact CD2-CG 4.24Å; L307-L337 HydrophobicContact CD2-CD1 4.15Å |
| 308 | V | 78.8 | Confident | 76.4 | Confident | 52 Ų | 52 | 45.7 Ų | 45.7 | 32% | 0.315 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -58.9 | -45.7 | 177.6 | 173.1 | 0 | 0 | 0 | 0 | 111.3 | T304 D305 K310 L330 | T304-V308 WeakPolarHBondContact O-CG2 3.44Å; T304-V308 PolarHBondContact O-N 2.89Å; D305-V308 PolarHBondContact O-N 3.3Å; V308-K310 VanDerWaalsContact C-N 3.26Å; V308-K310 PolarHBondContact O-N 3.22Å; V308-L330 HydrophobicContact CG2-CD1 3.93Å; V308-L330 HydrophobicContact CG2-CD2 3.79Å; V308-L330 HydrophobicContact CG2-CG 4.47Å |
| 309 | E | 76.3 | Confident | 76.1 | Confident | 90 Ų | 90 | 47.3 Ų | 47.3 | 42% | 0.421 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60.9 | -36.8 | 176.5 | -67.2 | -174.6 | 165.1 | 0 | 0 | 112.3 | D305 L307 | D305-E309 PolarHBondContact O-N 2.93Å; L307-E309 PolarHBondContact O-N 3Å |
| 310 | K | 68.6 | Low | 76 | Confident | 30 Ų | 30 | 47.7 Ų | 47.7 | 13% | 0.13 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -79.4 | -36.3 | -173.7 | -81 | 173 | 157.2 | -161.5 | 0 | 114.7 | T255 L306 L307 V308 R312 T313 V314 | T255-K310 VanDerWaalsContact CB-NZ 3.31Å; T255-K310 PolarHBondContact O-NZ 3.19Å; T255-K310 PolarHBondContact OG1-NZ 2.99Å; L306-K310 WeakPolarHBondContact O-CB 3.48Å; L306-K310 WeakPolarHBondContact O-CD 3.14Å; L306-K310 VanDerWaalsContact O-CG 3.24Å; L306-K310 WeakPolarHBondContact O-CG 3.3Å; L306-K310 PolarHBondContact O-N 3.15Å; L307-K310 PolarHBondContact O-N 2.76Å; L307-K310 VanDerWaalsContact O-N 3.11Å; V308-K310 VanDerWaalsContact C-N 3.26Å; V308-K310 PolarHBondContact O-N 3.22Å; K310-R312 PolarHBondContact O-N 2.82Å; K310-R312 VanDerWaalsContact O-N 3.11Å; K310-T313 PolarHBondContact O-N 3.49Å; K310-T313 PolarHBondContact O-OG1 3.46Å; K310-V314 PolarHBondContact O-N 3.49Å |
| 311 | I | 80.3 | Confident | 76.4 | Confident | 12 Ų | 12 | 52.1 Ų | 52.1 | 6% | 0.062 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -56.9 | -27.4 | 176.9 | -75.5 | 175.4 | 0 | 0 | 0 | 110.7 | L307 P327 R328 L330 V333 | L307-I311 HydrophobicContact CD1-CD1 4Å; L307-I311 HydrophobicContact CD1-CG1 4.09Å; L307-I311 HydrophobicContact CD2-CD1 4.47Å; L307-I311 HydrophobicContact CG-CD1 3.82Å; L307-I311 HydrophobicContact CG-CG1 4.34Å; L307-I311 WeakPolarHBondContact O-CG1 3.41Å; L307-I311 PolarHBondContact O-N 3.49Å; I311-P327 WeakPolarHBondContact CG2-O 3.44Å; I311-R328 WeakPolarHBondContact CG2-O 3.46Å; I311-R328 WeakPolarHBondContact O-CD 3.49Å; I311-R328 PolarHBondContact O-NH1 3.5Å; I311-L330 HydrophobicContact CD1-CB 4.42Å; I311-L330 HydrophobicContact CD1-CD1 3.59Å; I311-V333 HydrophobicContact CD1-CB 3.83Å; I311-V333 HydrophobicContact CD1-CG1 3.94Å; I311-V333 HydrophobicContact CD1-CG2 3.95Å; I311-V333 HydrophobicContact CG1-CG1 4.45Å; I311-V333 HydrophobicContact CG1-CG2 4.29Å |
| 312 | R | 80.2 | Confident | 76.9 | Confident | 191 Ų | 191 | 56.1 Ų | 56.1 | 72% | 0.721 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -19.5 | 174.6 | -60.8 | 179.7 | 179.4 | -179.9 | -1.3 | 114.8 | K310 R328 | K310-R312 PolarHBondContact O-N 2.82Å; K310-R312 VanDerWaalsContact O-N 3.11Å; R312-R328 PolarHBondContact O-NH1 3.37Å |
| 313 | T | 75.8 | Confident | 77.8 | Confident | 106 Ų | 106 | 56.4 Ų | 56.4 | 65% | 0.65 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.5 | -25.5 | -172.4 | 48.5 | 0 | 0 | 0 | 0 | 113.9 | K310 | K310-T313 PolarHBondContact O-N 3.49Å; K310-T313 PolarHBondContact O-OG1 3.46Å |
| 314 | V | 71.4 | Confident | 78.6 | Confident | 36 Ų | 36 | 65.1 Ų | 65.1 | 22% | 0.218 | 31% | 0.308 | C | S | . | . | trans | -133.6 | 139.7 | -171.3 | -158.5 | 0 | 0 | 0 | 0 | 110.7 | V262 K310 | V262-V314 HydrophobicContact CB-CG1 4.25Å; V262-V314 HydrophobicContact CG2-CB 3.45Å; V262-V314 VanDerWaalsContact CG2-CB 3.45Å; V262-V314 HydrophobicContact CG2-CG1 3.47Å; V262-V314 VanDerWaalsContact CG2-CG1 3.47Å; V262-V314 WeakPolarHBondContact CG2-O 3.41Å; K310-V314 PolarHBondContact O-N 3.49Å | ||
| 315 | D | 79.2 | Confident | 79.2 | Confident | 35 Ų | 35 | 65.5 Ų | 65.5 | 19% | 0.187 | 32% | 0.315 | C | S | . | . | trans | -92.6 | 127.5 | 179.6 | -168.3 | -29.4 | 0 | 0 | 0 | 112.8 | V262 R317 K318 P327 | V262-D315 WeakPolarHBondContact CB-O 3.39Å; V262-D315 WeakPolarHBondContact CG2-O 3.3Å; V262-D315 PolarHBondContact N-O 2.82Å; D315-R317 VanDerWaalsContact C-N 3.29Å; D315-R317 PolarHBondContact O-N 2.94Å; D315-R317 VanDerWaalsContact OD1-CB 3.31Å; D315-R317 WeakPolarHBondContact OD1-CB 3.41Å; D315-R317 WeakPolarHBondContact OD1-CG 2.94Å; D315-R317 IonicContact OD1-CZ 3.64Å; D315-R317 PolarHBondContact OD1-N 3.36Å; D315-R317 IonicContact OD1-NE 3.28Å; D315-R317 PolarHBondContact OD1-NE 3.38Å; D315-R317 VanDerWaalsContact OD1-NE 3.09Å; D315-R317 IonicContact OD2-CZ 3.39Å; D315-R317 VanDerWaalsContact OD2-CZ 3.28Å; D315-R317 IonicContact OD2-NE 2.89Å; D315-R317 PolarHBondContact OD2-NE 2.85Å; D315-R317 IonicContact OD2-NH2 3.46Å; D315-R317 PolarHBondContact OD2-NH2 3.41Å; D315-K318 HydrophobicContact CB-CG 4.48Å; D315-P327 WeakPolarHBondContact OD1-CB 3.19Å | ||
| 316 | I | 79.3 | Confident | 80 | Confident | 4 Ų | 4 | 66.6 Ų | 66.6 | 2% | 0.021 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -60.6 | -30.8 | 177.4 | -165.3 | 156.6 | 0 | 0 | 0 | 114.7 | V262 K318 N319 F320 F323 P327 V333 F336 | V262-I316 VanDerWaalsContact CB-CA 3.42Å; V262-I316 HydrophobicContact CB-CB 4.13Å; V262-I316 HydrophobicContact CB-CG1 4.42Å; V262-I316 HydrophobicContact CG1-CB 3.67Å; V262-I316 HydrophobicContact CG1-CD1 4.03Å; V262-I316 HydrophobicContact CG1-CG1 3.61Å; V262-I316 HydrophobicContact CG2-CB 4.44Å; I316-K318 PolarHBondContact O-N 2.73Å; I316-K318 VanDerWaalsContact O-N 3.16Å; I316-N319 PolarHBondContact O-N 3.3Å; I316-F320 HydrophobicContact CG1-CB 4.43Å; I316-F320 HydrophobicContact CG1-CD2 3.94Å; I316-F320 PolarHBondContact O-N 3.17Å; I316-F323 HydrophobicContact CG2-CB 4.22Å; I316-F323 HydrophobicContact CG2-CD1 3.33Å; I316-F323 HydrophobicContact CG2-CD2 4.01Å; I316-F323 HydrophobicContact CG2-CE1 3.48Å; I316-F323 VanDerWaalsContact CG2-CE1 3.48Å; I316-F323 HydrophobicContact CG2-CE2 4.17Å; I316-F323 HydrophobicContact CG2-CG 3.59Å; I316-F323 HydrophobicContact CG2-CZ 3.91Å; I316-P327 HydrophobicContact CG2-CB 3.95Å; I316-V333 HydrophobicContact CD1-CG1 3.79Å; I316-V333 HydrophobicContact CG2-CG2 4.42Å; I316-F336 HydrophobicContact CD1-CD1 3.82Å; I316-F336 HydrophobicContact CD1-CE1 4.1Å |
| 317 | R | 83 | Confident | 80.7 | Confident | 123 Ų | 123 | 64.7 Ų | 64.7 | 46% | 0.464 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -65.5 | -23.2 | -175.2 | -65.4 | 175 | -69.6 | -174.5 | 4.4 | 113 | D315 N319 F320 P321 F323 | D315-R317 VanDerWaalsContact C-N 3.29Å; D315-R317 PolarHBondContact O-N 2.94Å; D315-R317 VanDerWaalsContact OD1-CB 3.31Å; D315-R317 WeakPolarHBondContact OD1-CB 3.41Å; D315-R317 WeakPolarHBondContact OD1-CG 2.94Å; D315-R317 IonicContact OD1-CZ 3.64Å; D315-R317 PolarHBondContact OD1-N 3.36Å; D315-R317 IonicContact OD1-NE 3.28Å; D315-R317 PolarHBondContact OD1-NE 3.38Å; D315-R317 VanDerWaalsContact OD1-NE 3.09Å; D315-R317 IonicContact OD2-CZ 3.39Å; D315-R317 VanDerWaalsContact OD2-CZ 3.28Å; D315-R317 IonicContact OD2-NE 2.89Å; D315-R317 PolarHBondContact OD2-NE 2.85Å; D315-R317 IonicContact OD2-NH2 3.46Å; D315-R317 PolarHBondContact OD2-NH2 3.41Å; R317-N319 PolarHBondContact O-N 2.81Å; R317-F320 WeakPolarHBondContact CA-O 3.13Å; R317-F320 CarbonylContact O-C 3.42Å; R317-P321 WeakPolarHBondContact O-CA 3.21Å; R317-F323 HydrophobicContact CG-CB 4.24Å; R317-F323 HydrophobicContact CG-CD1 3.71Å; R317-F323 HydrophobicContact CG-CG 4.46Å |
| 318 | K | 79.7 | Confident | 81.3 | Confident | 130 Ų | 130 | 70.8 Ų | 70.8 | 57% | 0.565 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -62.2 | -26.4 | 178 | -67.4 | -170.6 | 173.8 | -167.1 | 0 | 113.4 | C261 D315 I316 | C261-K318 HydrophobicContact CB-CB 3.55Å; C261-K318 HydrophobicContact CB-CD 4.23Å; D315-K318 HydrophobicContact CB-CG 4.48Å; I316-K318 PolarHBondContact O-N 2.73Å; I316-K318 VanDerWaalsContact O-N 3.16Å |
| 319 | N | 70.4 | Confident | 81.8 | Confident | 35 Ų | 35 | 72.5 Ų | 72.5 | 19% | 0.187 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.1 | -21 | 178.8 | -54.7 | 74.2 | 0 | 0 | 0 | 113.1 | C261 V262 C263 V264 I316 R317 | C261-N319 WeakPolarHBondContact CA-OD1 3.09Å; C261-N319 VanDerWaalsContact CB-CG 3.46Å; C261-N319 WeakPolarHBondContact CB-ND2 3.41Å; C261-N319 WeakPolarHBondContact CB-OD1 3.49Å; C261-N319 PolarHBondContact O-OD1 3.28Å; V262-N319 WeakPolarHBondContact CA-OD1 3.36Å; V262-N319 PolarHBondContact N-OD1 3.07Å; V262-N319 WeakPolarHBondContact O-CB 3.38Å; V262-N319 PolarHBondContact O-OD1 3Å; C263-N319 HydrophobicContact CB-CB 3.99Å; C263-N319 PolarHBondContact O-ND2 2.94Å; V264-N319 WeakPolarHBondContact CG2-ND2 3.45Å; I316-N319 PolarHBondContact O-N 3.3Å; R317-N319 PolarHBondContact O-N 2.81Å |
| 320 | F | 80.4 | Confident | 82.2 | Confident | 8 Ų | 8 | 70.7 Ų | 70.7 | 4% | 0.035 | 33% | 0.334 | C | S | . | . | trans | -124.9 | 76.5 | 176.6 | -62.6 | -81.1 | 0 | 0 | 0 | 108.3 | C263 L276 V277 M280 I316 R317 E322 F323 F336 | C263-F320 HydrophobicContact CB-CD2 4.37Å; C263-F320 HydrophobicContact CB-CE2 3.45Å; C263-F320 VanDerWaalsContact CB-CE2 3.45Å; C263-F320 HydrophobicContact CB-CZ 4.16Å; C263-F320 VanDerWaalsContact SG-CE2 3.52Å; L276-F320 HydrophobicContact CD2-CE2 3.79Å; L276-F320 HydrophobicContact CD2-CZ 3.67Å; L276-F320 HydrophobicContact CG-CZ 4.27Å; V277-F320 HydrophobicContact CG2-CE1 4.24Å; V277-F320 HydrophobicContact CG2-CZ 4.16Å; M280-F320 HydrophobicContact CE-CE1 4.35Å; I316-F320 HydrophobicContact CG1-CB 4.43Å; I316-F320 HydrophobicContact CG1-CD2 3.94Å; I316-F320 PolarHBondContact O-N 3.17Å; R317-F320 WeakPolarHBondContact CA-O 3.13Å; R317-F320 CarbonylContact O-C 3.42Å; F320-E322 WeakPolarHBondContact CA-OE2 3.46Å; F320-E322 WeakPolarHBondContact CD1-OE1 3.12Å; F320-E322 PolarHBondContact O-N 3.47Å; F320-E322 VanDerWaalsContact O-N 3.09Å; F320-F323 HydrophobicContact CB-CB 4.46Å; F320-F323 VanDerWaalsContact O-CB 3.26Å; F320-F323 WeakPolarHBondContact O-CB 3.33Å; F320-F323 PolarHBondContact O-N 3.11Å; F320-F336 HydrophobicContact CB-CE1 3.77Å; F320-F336 HydrophobicContact CB-CZ 3.61Å; F320-F336 AromaticContact CD1-CE1 3.98Å; F320-F336 HydrophobicContact CD1-CE1 3.98Å; F320-F336 AromaticContact CD1-CZ 3.84Å; F320-F336 HydrophobicContact CD1-CZ 3.84Å; F320-F336 HydrophobicContact CD2-CE1 4.2Å; F320-F336 AromaticContact CG-CE1 3.69Å; F320-F336 HydrophobicContact CG-CE1 3.69Å; F320-F336 AromaticContact CG-CZ 3.8Å; F320-F336 HydrophobicContact CG-CZ 3.8Å | ||
| 321 | P | 86.1 | Confident | 83.2 | Confident | 92 Ų | 92 | 74.8 Ų | 74.8 | 60% | 0.597 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -16.6 | 178 | 26.3 | -35.2 | 0 | 0 | 0 | 112.7 | R317 F323 R324 | R317-P321 WeakPolarHBondContact O-CA 3.21Å; P321-F323 VanDerWaalsContact C-N 3.28Å; P321-R324 PolarHBondContact O-NH1 2.78Å |
| 322 | E | 88.4 | Confident | 83.6 | Confident | 87 Ų | 87 | 76.7 Ų | 76.7 | 41% | 0.407 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -8.3 | 172.4 | 72.1 | -89.3 | -147.5 | 0 | 0 | 114.4 | F320 R324 F336 | F320-E322 WeakPolarHBondContact CA-OE2 3.46Å; F320-E322 WeakPolarHBondContact CD1-OE1 3.12Å; F320-E322 PolarHBondContact O-N 3.47Å; F320-E322 VanDerWaalsContact O-N 3.09Å; E322-R324 PolarHBondContact O-N 3.38Å; E322-F336 HydrophobicContact CG-CE2 3.99Å; E322-F336 HydrophobicContact CG-CZ 4.11Å |
| 323 | F | 88.7 | Confident | 83.9 | Confident | 8 Ų | 8 | 67.8 Ų | 67.8 | 4% | 0.035 | 34% | 0.335 | C | S | . | . | trans | -65.5 | 132.6 | 175.2 | 179.8 | -103.8 | 0 | 0 | 0 | 110.3 | I316 R317 F320 P321 G325 P327 N332 V333 F336 | I316-F323 HydrophobicContact CG2-CB 4.22Å; I316-F323 HydrophobicContact CG2-CD1 3.33Å; I316-F323 HydrophobicContact CG2-CD2 4.01Å; I316-F323 HydrophobicContact CG2-CE1 3.48Å; I316-F323 VanDerWaalsContact CG2-CE1 3.48Å; I316-F323 HydrophobicContact CG2-CE2 4.17Å; I316-F323 HydrophobicContact CG2-CG 3.59Å; I316-F323 HydrophobicContact CG2-CZ 3.91Å; R317-F323 HydrophobicContact CG-CB 4.24Å; R317-F323 HydrophobicContact CG-CD1 3.71Å; R317-F323 HydrophobicContact CG-CG 4.46Å; F320-F323 HydrophobicContact CB-CB 4.46Å; F320-F323 VanDerWaalsContact O-CB 3.26Å; F320-F323 WeakPolarHBondContact O-CB 3.33Å; F320-F323 PolarHBondContact O-N 3.11Å; P321-F323 VanDerWaalsContact C-N 3.28Å; F323-G325 WeakPolarHBondContact CE1-O 3.46Å; F323-P327 HydrophobicContact CE1-CB 4.04Å; F323-N332 HydrophobicContact CZ-CB 4.21Å; F323-V333 HydrophobicContact CZ-CG2 4.14Å; F323-F336 HydrophobicContact CB-CD2 4.48Å; F323-F336 HydrophobicContact CB-CE2 4.33Å; F323-F336 HydrophobicContact CB-CZ 4.47Å; F323-F336 HydrophobicContact CD2-CB 3.61Å; F323-F336 AromaticContact CD2-CD1 3.89Å; F323-F336 HydrophobicContact CD2-CD1 3.89Å; F323-F336 AromaticContact CD2-CD2 3.72Å; F323-F336 HydrophobicContact CD2-CD2 3.72Å; F323-F336 HydrophobicContact CD2-CE2 4.37Å; F323-F336 AromaticContact CD2-CG 3.45Å; F323-F336 HydrophobicContact CD2-CG 3.45Å; F323-F336 VanDerWaalsContact CD2-CG 3.45Å; F323-F336 HydrophobicContact CE2-CB 3.63Å; F323-F336 HydrophobicContact CE2-CG 4.01Å | ||
| 324 | R | 87.8 | Confident | 84.4 | Confident | 207 Ų | 207 | 63.9 Ų | 63.9 | 78% | 0.781 | 31% | 0.309 | S | S | * | . | trans | -122.2 | 0.5 | -175 | -65 | -70.6 | 179.2 | -94.4 | 2.7 | 114 | P321 E322 | P321-R324 PolarHBondContact O-NH1 2.78Å; E322-R324 PolarHBondContact O-N 3.38Å | ||
| 325 | G | 89.4 | Confident | 85.3 | Confident | 28 Ų | 28 | 67.6 Ų | 67.6 | 29% | 0.289 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -92.4 | -170.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | F323 N332 | F323-G325 WeakPolarHBondContact CE1-O 3.46Å; G325-N332 WeakPolarHBondContact CA-OD1 3.44Å |
| 326 | D | 89.7 | Confident | 85.7 | Confident | 69 Ų | 69 | 66.5 Ų | 66.5 | 37% | 0.369 | 32% | 0.318 | S | S | . | . | trans | -78.7 | 119.6 | 170.1 | -174.5 | -18.1 | 0 | 0 | 0 | 110.2 | R328 L329 N332 | D326-R328 PolarHBondContact O-N 2.84Å; D326-R328 WeakPolarHBondContact OD1-CB 3.34Å; D326-R328 PolarHBondContact OD1-N 3.39Å; D326-L329 HydrophobicContact CB-CB 4.12Å; D326-L329 HydrophobicContact CB-CD1 3.8Å; D326-L329 HydrophobicContact CB-CG 3.9Å; D326-L329 PolarHBondContact O-N 3.01Å; D326-N332 PolarHBondContact N-OD1 3.13Å; D326-N332 WeakPolarHBondContact O-CB 3.05Å | ||
| 327 | P | 86.1 | Confident | 86 | Confident | 10 Ų | 10 | 66.4 Ų | 66.4 | 7% | 0.065 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -9.8 | -178.9 | 32.2 | -39.7 | 0 | 0 | 0 | 113.6 | I311 D315 I316 F323 | I311-P327 WeakPolarHBondContact CG2-O 3.44Å; D315-P327 WeakPolarHBondContact OD1-CB 3.19Å; I316-P327 HydrophobicContact CG2-CB 3.95Å; F323-P327 HydrophobicContact CE1-CB 4.04Å |
| 328 | R | 87.3 | Confident | 86.2 | Confident | 133 Ų | 133 | 61.6 Ų | 61.6 | 50% | 0.502 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | -14 | 179.3 | -57.2 | -55.7 | -166.8 | 157.2 | 10.3 | 113.4 | I311 R312 D326 | I311-R328 WeakPolarHBondContact CG2-O 3.46Å; I311-R328 WeakPolarHBondContact O-CD 3.49Å; I311-R328 PolarHBondContact O-NH1 3.5Å; R312-R328 PolarHBondContact O-NH1 3.37Å; D326-R328 PolarHBondContact O-N 2.84Å; D326-R328 WeakPolarHBondContact OD1-CB 3.34Å; D326-R328 PolarHBondContact OD1-N 3.39Å |
| 329 | L | 88.9 | Confident | 86.7 | Confident | 89 Ų | 89 | 59 Ų | 59 | 47% | 0.466 | 29% | 0.291 | S | S | . | . | trans | -90.2 | 124.4 | 176.2 | -68.7 | 177.4 | 0 | 0 | 0 | 110.7 | D326 D331 N332 V333 | D326-L329 HydrophobicContact CB-CB 4.12Å; D326-L329 HydrophobicContact CB-CD1 3.8Å; D326-L329 HydrophobicContact CB-CG 3.9Å; D326-L329 PolarHBondContact O-N 3.01Å; L329-D331 VanDerWaalsContact C-N 3.31Å; L329-D331 PolarHBondContact O-N 3Å; L329-N332 HydrophobicContact CB-CB 4.19Å; L329-N332 PolarHBondContact O-N 3.34Å; L329-V333 WeakPolarHBondContact O-CG2 3.21Å; L329-V333 PolarHBondContact O-N 2.73Å | ||
| 330 | L | 85.9 | Confident | 87.5 | Confident | 52 Ų | 52 | 57.8 Ų | 57.8 | 27% | 0.272 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -57.1 | -45.7 | -179.2 | -179.5 | 65.4 | 0 | 0 | 0 | 111.7 | L307 V308 I311 N332 V333 Q334 | L307-L330 HydrophobicContact CD2-CD1 3.98Å; L307-L330 HydrophobicContact CG-CD1 4.12Å; V308-L330 HydrophobicContact CG2-CD1 3.93Å; V308-L330 HydrophobicContact CG2-CD2 3.79Å; V308-L330 HydrophobicContact CG2-CG 4.47Å; I311-L330 HydrophobicContact CD1-CB 4.42Å; I311-L330 HydrophobicContact CD1-CD1 3.59Å; L330-N332 PolarHBondContact O-N 3.39Å; L330-V333 PolarHBondContact O-N 2.88Å; L330-Q334 HydrophobicContact CD1-CG 3.99Å; L330-Q334 HydrophobicContact CG-CG 4.08Å; L330-Q334 VanDerWaalsContact O-CB 3.31Å; L330-Q334 WeakPolarHBondContact O-CB 3.19Å; L330-Q334 VanDerWaalsContact O-CG 3.3Å; L330-Q334 WeakPolarHBondContact O-CG 3.36Å; L330-Q334 PolarHBondContact O-N 2.95Å |
| 331 | D | 89.6 | Confident | 87.8 | Confident | 115 Ų | 115 | 57.4 Ų | 57.4 | 62% | 0.615 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -64.1 | -41.5 | -174.9 | -60 | -23.9 | 0 | 0 | 0 | 111.9 | L329 V333 Q334 E335 | L329-D331 VanDerWaalsContact C-N 3.31Å; L329-D331 PolarHBondContact O-N 3Å; D331-V333 PolarHBondContact O-N 2.78Å; D331-Q334 PolarHBondContact O-N 3.23Å; D331-E335 VanDerWaalsContact O-CB 3.28Å; D331-E335 WeakPolarHBondContact O-CB 3.36Å; D331-E335 PolarHBondContact O-N 3.02Å |
| 332 | N | 89.3 | Confident | 87.9 | Confident | 53 Ų | 53 | 54.9 Ų | 54.9 | 28% | 0.283 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.6 | -44 | 177.5 | -80.7 | -138.5 | 0 | 0 | 0 | 111.1 | F323 G325 D326 L329 L330 F336 | F323-N332 HydrophobicContact CZ-CB 4.21Å; G325-N332 WeakPolarHBondContact CA-OD1 3.44Å; D326-N332 PolarHBondContact N-OD1 3.13Å; D326-N332 WeakPolarHBondContact O-CB 3.05Å; L329-N332 HydrophobicContact CB-CB 4.19Å; L329-N332 PolarHBondContact O-N 3.34Å; L330-N332 PolarHBondContact O-N 3.39Å; N332-F336 WeakPolarHBondContact O-CB 3.38Å; N332-F336 PolarHBondContact O-N 3.26Å |
| 333 | V | 86 | Confident | 88 | Confident | 3 Ų | 3 | 57.2 Ų | 57.2 | 2% | 0.018 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.2 | -43.6 | 177.5 | 174.2 | 0 | 0 | 0 | 0 | 110.9 | L307 I311 I316 F323 L329 L330 D331 F336 L337 | L307-V333 HydrophobicContact CD1-CG1 4.19Å; I311-V333 HydrophobicContact CD1-CB 3.83Å; I311-V333 HydrophobicContact CD1-CG1 3.94Å; I311-V333 HydrophobicContact CD1-CG2 3.95Å; I311-V333 HydrophobicContact CG1-CG1 4.45Å; I311-V333 HydrophobicContact CG1-CG2 4.29Å; I316-V333 HydrophobicContact CD1-CG1 3.79Å; I316-V333 HydrophobicContact CG2-CG2 4.42Å; F323-V333 HydrophobicContact CZ-CG2 4.14Å; L329-V333 WeakPolarHBondContact O-CG2 3.21Å; L329-V333 PolarHBondContact O-N 2.73Å; L330-V333 PolarHBondContact O-N 2.88Å; D331-V333 PolarHBondContact O-N 2.78Å; V333-F336 PolarHBondContact O-N 2.91Å; V333-L337 HydrophobicContact CG1-CD1 4.42Å; V333-L337 VanDerWaalsContact O-CG 3.29Å; V333-L337 WeakPolarHBondContact O-CG 3.35Å; V333-L337 PolarHBondContact O-N 2.92Å |
| 334 | Q | 85.8 | Confident | 87.9 | Confident | 25 Ų | 25 | 59.6 Ų | 59.6 | 12% | 0.117 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.6 | -46.4 | 178 | -81.6 | -171.9 | -9.5 | 0 | 0 | 112 | L307 L330 D331 L337 V338 F356 | L307-Q334 HydrophobicContact CD2-CG 4.24Å; L330-Q334 HydrophobicContact CD1-CG 3.99Å; L330-Q334 HydrophobicContact CG-CG 4.08Å; L330-Q334 VanDerWaalsContact O-CB 3.31Å; L330-Q334 WeakPolarHBondContact O-CB 3.19Å; L330-Q334 VanDerWaalsContact O-CG 3.3Å; L330-Q334 WeakPolarHBondContact O-CG 3.36Å; L330-Q334 PolarHBondContact O-N 2.95Å; D331-Q334 PolarHBondContact O-N 3.23Å; Q334-L337 WeakPolarHBondContact O-CB 3.45Å; Q334-L337 PolarHBondContact O-N 3.43Å; Q334-V338 WeakPolarHBondContact O-CG2 3.33Å; Q334-V338 PolarHBondContact O-N 2.96Å; Q334-F356 HydrophobicContact CB-CE1 3.73Å; Q334-F356 HydrophobicContact CB-CE2 4.06Å; Q334-F356 HydrophobicContact CB-CZ 3.42Å; Q334-F356 VanDerWaalsContact CB-CZ 3.42Å; Q334-F356 HydrophobicContact CG-CD1 3.96Å; Q334-F356 HydrophobicContact CG-CE1 3.5Å; Q334-F356 VanDerWaalsContact CG-CE1 3.5Å; Q334-F356 HydrophobicContact CG-CE2 4.29Å; Q334-F356 HydrophobicContact CG-CZ 3.7Å |
| 335 | E | 89.8 | Confident | 87.9 | Confident | 113 Ų | 113 | 50.9 Ų | 50.9 | 53% | 0.528 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.4 | -46 | 177.1 | -170.3 | -175.8 | 174.3 | 0 | 0 | 110.8 | D331 L337 V338 Q339 | D331-E335 VanDerWaalsContact O-CB 3.28Å; D331-E335 WeakPolarHBondContact O-CB 3.36Å; D331-E335 PolarHBondContact O-N 3.02Å; E335-L337 VanDerWaalsContact C-N 3.29Å; E335-L337 PolarHBondContact O-N 3.11Å; E335-V338 PolarHBondContact O-N 3.01Å; E335-Q339 HydrophobicContact CG-CG 4.34Å; E335-Q339 WeakPolarHBondContact O-CB 3.4Å; E335-Q339 VanDerWaalsContact O-CG 3.32Å; E335-Q339 WeakPolarHBondContact O-CG 3.41Å; E335-Q339 PolarHBondContact O-N 3.24Å; E335-Q339 PolarHBondContact OE1-NE2 3.47Å |
| 336 | F | 88.3 | Confident | 87.8 | Confident | 12 Ų | 12 | 59.7 Ų | 59.7 | 5% | 0.053 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.4 | -41.9 | 175.7 | 172.1 | -103.3 | 0 | 0 | 0 | 112.6 | I316 F320 E322 F323 N332 V333 Q339 S340 | I316-F336 HydrophobicContact CD1-CD1 3.82Å; I316-F336 HydrophobicContact CD1-CE1 4.1Å; F320-F336 HydrophobicContact CB-CE1 3.77Å; F320-F336 HydrophobicContact CB-CZ 3.61Å; F320-F336 AromaticContact CD1-CE1 3.98Å; F320-F336 HydrophobicContact CD1-CE1 3.98Å; F320-F336 AromaticContact CD1-CZ 3.84Å; F320-F336 HydrophobicContact CD1-CZ 3.84Å; F320-F336 HydrophobicContact CD2-CE1 4.2Å; F320-F336 AromaticContact CG-CE1 3.69Å; F320-F336 HydrophobicContact CG-CE1 3.69Å; F320-F336 AromaticContact CG-CZ 3.8Å; F320-F336 HydrophobicContact CG-CZ 3.8Å; E322-F336 HydrophobicContact CG-CE2 3.99Å; E322-F336 HydrophobicContact CG-CZ 4.11Å; F323-F336 HydrophobicContact CB-CD2 4.48Å; F323-F336 HydrophobicContact CB-CE2 4.33Å; F323-F336 HydrophobicContact CB-CZ 4.47Å; F323-F336 HydrophobicContact CD2-CB 3.61Å; F323-F336 AromaticContact CD2-CD1 3.89Å; F323-F336 HydrophobicContact CD2-CD1 3.89Å; F323-F336 AromaticContact CD2-CD2 3.72Å; F323-F336 HydrophobicContact CD2-CD2 3.72Å; F323-F336 HydrophobicContact CD2-CE2 4.37Å; F323-F336 AromaticContact CD2-CG 3.45Å; F323-F336 HydrophobicContact CD2-CG 3.45Å; F323-F336 VanDerWaalsContact CD2-CG 3.45Å; F323-F336 HydrophobicContact CE2-CB 3.63Å; F323-F336 HydrophobicContact CE2-CG 4.01Å; N332-F336 WeakPolarHBondContact O-CB 3.38Å; N332-F336 PolarHBondContact O-N 3.26Å; V333-F336 PolarHBondContact O-N 2.91Å; F336-Q339 PolarHBondContact O-N 3.4Å; F336-S340 WeakPolarHBondContact CZ-OG 3.47Å; F336-S340 WeakPolarHBondContact O-CB 3.48Å; F336-S340 PolarHBondContact O-N 3.42Å; F336-S340 PolarHBondContact O-OG 3.38Å |
| 337 | L | 85.6 | Confident | 87.3 | Confident | 3 Ų | 3 | 60.8 Ų | 60.8 | 2% | 0.016 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.1 | -50.2 | 176.7 | -69.4 | 174.2 | 0 | 0 | 0 | 110.7 | L276 L301 L307 V333 Q334 E335 Q339 S340 F341 | L276-L337 HydrophobicContact CD1-CD2 4.34Å; L276-L337 HydrophobicContact CD2-CD2 3.49Å; L276-L337 VanDerWaalsContact CD2-CD2 3.49Å; L301-L337 HydrophobicContact CD2-CB 4Å; L301-L337 HydrophobicContact CD2-CD1 4.32Å; L307-L337 HydrophobicContact CD2-CD1 4.15Å; V333-L337 HydrophobicContact CG1-CD1 4.42Å; V333-L337 VanDerWaalsContact O-CG 3.29Å; V333-L337 WeakPolarHBondContact O-CG 3.35Å; V333-L337 PolarHBondContact O-N 2.92Å; Q334-L337 WeakPolarHBondContact O-CB 3.45Å; Q334-L337 PolarHBondContact O-N 3.43Å; E335-L337 VanDerWaalsContact C-N 3.29Å; E335-L337 PolarHBondContact O-N 3.11Å; L337-Q339 VanDerWaalsContact C-N 3.34Å; L337-Q339 PolarHBondContact O-N 3.1Å; L337-S340 WeakPolarHBondContact O-CB 3.45Å; L337-S340 PolarHBondContact O-N 3.49Å; L337-S340 VanDerWaalsContact O-N 3.16Å; L337-F341 VanDerWaalsContact O-CD2 3.23Å; L337-F341 WeakPolarHBondContact O-CD2 3.3Å; L337-F341 PolarHBondContact O-N 2.94Å; L337-F341 VanDerWaalsContact O-N 3.09Å |
| 338 | V | 87.4 | Confident | 86.9 | Confident | 22 Ų | 22 | 67.9 Ų | 67.9 | 13% | 0.133 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.4 | -45.7 | 178.9 | 173.1 | 0 | 0 | 0 | 0 | 111 | L301 Q334 E335 S340 F341 S342 H354 F356 | L301-V338 HydrophobicContact CD1-CG2 3.78Å; Q334-V338 WeakPolarHBondContact O-CG2 3.33Å; Q334-V338 PolarHBondContact O-N 2.96Å; E335-V338 PolarHBondContact O-N 3.01Å; V338-S340 VanDerWaalsContact C-N 3.31Å; V338-S340 PolarHBondContact O-N 3.21Å; V338-F341 PolarHBondContact O-N 2.88Å; V338-S342 WeakPolarHBondContact O-CB 3.28Å; V338-S342 PolarHBondContact O-N 3.3Å; V338-H354 WeakPolarHBondContact CG2-CD2 3.4Å; V338-F356 HydrophobicContact CG2-CE1 4.49Å; V338-F356 HydrophobicContact CG2-CE2 4.21Å; V338-F356 HydrophobicContact CG2-CZ 3.61Å |
| 339 | Q | 89.7 | Confident | 86.3 | Confident | 74 Ų | 74 | 65 Ų | 65 | 35% | 0.346 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.1 | -41.9 | 176.5 | -72.2 | -174.6 | 13.4 | 0 | 0 | 111.6 | E335 F336 L337 F341 S342 R343 | E335-Q339 HydrophobicContact CG-CG 4.34Å; E335-Q339 WeakPolarHBondContact O-CB 3.4Å; E335-Q339 VanDerWaalsContact O-CG 3.32Å; E335-Q339 WeakPolarHBondContact O-CG 3.41Å; E335-Q339 PolarHBondContact O-N 3.24Å; E335-Q339 PolarHBondContact OE1-NE2 3.47Å; F336-Q339 PolarHBondContact O-N 3.4Å; L337-Q339 VanDerWaalsContact C-N 3.34Å; L337-Q339 PolarHBondContact O-N 3.1Å; Q339-F341 PolarHBondContact O-N 3.15Å; Q339-S342 WeakPolarHBondContact O-CB 3.45Å; Q339-S342 PolarHBondContact O-N 3.27Å; Q339-R343 WeakPolarHBondContact O-CB 3.24Å; Q339-R343 VanDerWaalsContact O-CG 3.25Å; Q339-R343 WeakPolarHBondContact O-CG 3.15Å; Q339-R343 PolarHBondContact O-N 3.27Å |
| 340 | S | 87.4 | Confident | 85.6 | Confident | 11 Ų | 11 | 65.4 Ų | 65.4 | 8% | 0.077 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.3 | -41.2 | 179.1 | -62.1 | 0 | 0 | 0 | 0 | 112.3 | F336 L337 V338 | F336-S340 WeakPolarHBondContact CZ-OG 3.47Å; F336-S340 WeakPolarHBondContact O-CB 3.48Å; F336-S340 PolarHBondContact O-N 3.42Å; F336-S340 PolarHBondContact O-OG 3.38Å; L337-S340 WeakPolarHBondContact O-CB 3.45Å; L337-S340 PolarHBondContact O-N 3.49Å; L337-S340 VanDerWaalsContact O-N 3.16Å; V338-S340 VanDerWaalsContact C-N 3.31Å; V338-S340 PolarHBondContact O-N 3.21Å |
| 341 | F | 85.8 | Confident | 85.3 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -69.2 | -41.2 | 172.2 | -77.9 | -82.6 | 0 | 0 | 0 | 112.1 | V252 L276 M280 F283 L299 L301 L337 V338 Q339 R343 K344 L352 | V252-F341 HydrophobicContact CB-CE1 4.23Å; V252-F341 HydrophobicContact CB-CZ 4.13Å; V252-F341 HydrophobicContact CG1-CE1 3.69Å; V252-F341 HydrophobicContact CG1-CE2 3.6Å; V252-F341 HydrophobicContact CG1-CZ 3.13Å; V252-F341 HydrophobicContact CG2-CD1 4.16Å; V252-F341 HydrophobicContact CG2-CE1 3.55Å; V252-F341 HydrophobicContact CG2-CZ 3.95Å; L276-F341 HydrophobicContact CD1-CE2 3.98Å; L276-F341 HydrophobicContact CD1-CZ 4Å; M280-F341 HydrophobicContact CB-CE1 4.16Å; M280-F341 HydrophobicContact CB-CZ 4.4Å; M280-F341 HydrophobicContact CE-CD2 4.44Å; M280-F341 HydrophobicContact CE-CE2 3.97Å; M280-F341 HydrophobicContact CE-CZ 4.31Å; M280-F341 HydrophobicContact CG-CD1 4.14Å; M280-F341 HydrophobicContact CG-CE1 3.59Å; M280-F341 HydrophobicContact CG-CE2 3.98Å; M280-F341 HydrophobicContact CG-CZ 3.43Å; M280-F341 VanDerWaalsContact CG-CZ 3.43Å; F283-F341 HydrophobicContact CB-CD1 3.88Å; F283-F341 HydrophobicContact CB-CE1 3.98Å; F283-F341 HydrophobicContact CD1-CB 4.32Å; F283-F341 AromaticContact CD1-CD1 3.69Å; F283-F341 HydrophobicContact CD1-CD1 3.69Å; F283-F341 HydrophobicContact CD2-CD1 4.46Å; F283-F341 HydrophobicContact CE1-CB 4.19Å; F283-F341 HydrophobicContact CE1-CD1 4.33Å; F283-F341 VanDerWaalsContact CE1-O 3.28Å; F283-F341 WeakPolarHBondContact CE1-O 3.2Å; F283-F341 AromaticContact CG-CD1 3.74Å; F283-F341 HydrophobicContact CG-CD1 3.74Å; F283-F341 HydrophobicContact CG-CE1 4.33Å; L299-F341 HydrophobicContact CD1-CD1 4.38Å; L299-F341 HydrophobicContact CD2-CB 3.64Å; L299-F341 HydrophobicContact CD2-CD1 4.37Å; L299-F341 HydrophobicContact CD2-CD2 4.16Å; L299-F341 HydrophobicContact CD2-CG 3.79Å; L301-F341 HydrophobicContact CD2-CE2 4.45Å; L337-F341 VanDerWaalsContact O-CD2 3.23Å; L337-F341 WeakPolarHBondContact O-CD2 3.3Å; L337-F341 PolarHBondContact O-N 2.94Å; L337-F341 VanDerWaalsContact O-N 3.09Å; V338-F341 PolarHBondContact O-N 2.88Å; Q339-F341 PolarHBondContact O-N 3.15Å; F341-R343 VanDerWaalsContact C-N 3.27Å; F341-R343 PolarHBondContact O-N 3.33Å; F341-K344 WeakPolarHBondContact O-CB 3.32Å; F341-K344 PolarHBondContact O-N 2.92Å; F341-K344 VanDerWaalsContact O-N 3.14Å; F341-L352 HydrophobicContact CB-CD2 4.38Å |
| 342 | S | 88.4 | Confident | 84.9 | Confident | 39 Ų | 39 | 62.9 Ų | 62.9 | 27% | 0.273 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.5 | -38.8 | 177.1 | -170.2 | 0 | 0 | 0 | 0 | 112 | V338 Q339 K344 R345 | V338-S342 WeakPolarHBondContact O-CB 3.28Å; V338-S342 PolarHBondContact O-N 3.3Å; Q339-S342 WeakPolarHBondContact O-CB 3.45Å; Q339-S342 PolarHBondContact O-N 3.27Å; S342-K344 PolarHBondContact O-N 2.86Å; S342-R345 WeakPolarHBondContact O-CB 3.18Å; S342-R345 PolarHBondContact O-N 3.28Å |
| 343 | R | 90.2 | Very high | 84.6 | Confident | 135 Ų | 135 | 63.2 Ų | 63.2 | 51% | 0.509 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.9 | -28.1 | 178 | -75.5 | 172 | -169.5 | -169.8 | 5.5 | 113.4 | Q339 F341 R345 R348 | Q339-R343 WeakPolarHBondContact O-CB 3.24Å; Q339-R343 VanDerWaalsContact O-CG 3.25Å; Q339-R343 WeakPolarHBondContact O-CG 3.15Å; Q339-R343 PolarHBondContact O-N 3.27Å; F341-R343 VanDerWaalsContact C-N 3.27Å; F341-R343 PolarHBondContact O-N 3.33Å; R343-R345 PolarHBondContact O-N 3.16Å; R343-R348 PolarHBondContact O-NH2 3.39Å |
| 344 | K | 87.8 | Confident | 84.4 | Confident | 59 Ų | 59 | 66.2 Ų | 66.2 | 26% | 0.257 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -8.8 | 177.1 | -64.2 | -54.8 | -158.3 | 155.1 | 0 | 114.3 | M280 F283 E284 N288 F341 S342 | M280-K344 HydrophobicContact CB-CG 4.4Å; F283-K344 HydrophobicContact CD1-CB 4.22Å; E284-K344 HydrophobicContact CB-CB 4.01Å; E284-K344 HydrophobicContact CB-CD 4.37Å; E284-K344 HydrophobicContact CB-CG 4.36Å; E284-K344 HydrophobicContact CG-CB 4.28Å; E284-K344 HydrophobicContact CG-CD 4.42Å; E284-K344 WeakPolarHBondContact OE2-CD 3.08Å; E284-K344 WeakPolarHBondContact OE2-CE 3.44Å; E284-K344 IonicContact OE2-NZ 4Å; E284-K344 PolarHBondContact OE2-NZ 3.43Å; N288-K344 PolarHBondContact ND2-O 2.57Å; F341-K344 WeakPolarHBondContact O-CB 3.32Å; F341-K344 PolarHBondContact O-N 2.92Å; F341-K344 VanDerWaalsContact O-N 3.14Å; S342-K344 PolarHBondContact O-N 2.86Å |
| 345 | R | 87.7 | Confident | 84.2 | Confident | 24 Ų | 24 | 66.8 Ų | 66.8 | 9% | 0.091 | 32% | 0.323 | C | S | . | . | trans | -86.7 | 126.9 | 179.7 | -58.5 | -178.4 | 51.2 | -163.6 | -13.8 | 111 | F283 V287 S342 R343 N347 K350 P351 L352 | F283-R345 HydrophobicContact CE1-CG 3.94Å; F283-R345 HydrophobicContact CZ-CG 4.29Å; V287-R345 HydrophobicContact CB-CG 4.48Å; V287-R345 HydrophobicContact CG1-CG 3.98Å; V287-R345 HydrophobicContact CG2-CG 3.75Å; S342-R345 WeakPolarHBondContact O-CB 3.18Å; S342-R345 PolarHBondContact O-N 3.28Å; R343-R345 PolarHBondContact O-N 3.16Å; R345-N347 PolarHBondContact NE-O 2.99Å; R345-N347 PolarHBondContact NH2-O 3.46Å; R345-K350 VanDerWaalsContact CZ-O 3.25Å; R345-K350 PolarHBondContact NH1-O 3.05Å; R345-K350 PolarHBondContact NH2-O 2.95Å; R345-P351 PolarHBondContact NH1-O 2.89Å; R345-L352 VanDerWaalsContact NH1-CA 3.28Å; R345-L352 VanDerWaalsContact NH1-CB 3.32Å | ||
| 346 | R | 86.9 | Confident | 83.8 | Confident | 213 Ų | 213 | 63.7 Ų | 63.7 | 80% | 0.804 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -71.5 | -44.2 | 170.2 | -68.2 | 179.1 | -175.9 | -176.7 | -0.5 | 111.6 | N288 | N288-R346 WeakPolarHBondContact OD1-CB 3.33Å; N288-R346 WeakPolarHBondContact OD1-CG 3.38Å; N288-R346 PolarHBondContact OD1-N 3.15Å |
| 347 | N | 79.1 | Confident | 83.1 | Confident | 91 Ų | 91 | 63.1 Ų | 63.1 | 49% | 0.487 | 31% | 0.306 | S | S | . | . | trans | -94.1 | 108.8 | 175.2 | -175.4 | -1.5 | 0 | 0 | 0 | 110.5 | R345 G349 | R345-N347 PolarHBondContact NE-O 2.99Å; R345-N347 PolarHBondContact NH2-O 3.46Å; N347-G349 PolarHBondContact OD1-N 3.38Å | ||
| 348 | R | 78.6 | Confident | 82.5 | Confident | 160 Ų | 160 | 64.3 Ų | 64.3 | 60% | 0.604 | 31% | 0.313 | S | S | * | . | trans | -100.7 | 3 | 177.5 | -61.2 | -174.1 | -176 | 176.6 | 4.6 | 114 | R343 K350 | R343-R348 PolarHBondContact O-NH2 3.39Å; R348-K350 VanDerWaalsContact C-N 3.32Å; R348-K350 PolarHBondContact O-N 3Å | ||
| 349 | G | 75.1 | Confident | 81.3 | Confident | 72 Ų | 72 | 63.6 Ų | 63.6 | 74% | 0.742 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -70.5 | -24.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | N347 | N347-G349 PolarHBondContact OD1-N 3.38Š|
| 350 | K | 73 | Confident | 80.2 | Confident | 98 Ų | 98 | 62.3 Ų | 62.3 | 43% | 0.426 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -92.5 | 135.7 | 171 | -66.3 | -175.8 | 178.1 | -177.8 | 0 | 110.3 | L293 R345 R348 | L293-K350 PolarHBondContact O-NZ 3.33Å; L293-K350 VanDerWaalsContact O-NZ 3.14Å; R345-K350 VanDerWaalsContact CZ-O 3.25Å; R345-K350 PolarHBondContact NH1-O 3.05Å; R345-K350 PolarHBondContact NH2-O 2.95Å; R348-K350 VanDerWaalsContact C-N 3.32Å; R348-K350 PolarHBondContact O-N 3Å |
| 351 | P | 79.4 | Confident | 79.5 | Confident | 91 Ų | 91 | 65.3 Ų | 65.3 | 59% | 0.591 | 32% | 0.322 | S | S | * | . | trans | -59.9 | 150.3 | 174.9 | 25.8 | -33.7 | 0 | 0 | 0 | 111.6 | R345 F353 | R345-P351 PolarHBondContact NH1-O 2.89Å; P351-F353 HydrophobicContact CG-CE1 4.4Å; P351-F353 HydrophobicContact CG-CE2 4.15Å; P351-F353 HydrophobicContact CG-CZ 3.89Å; P351-F353 PolarHBondContact O-N 2.81Å | ||
| 352 | L | 82 | Confident | 79 | Confident | 23 Ų | 23 | 67.5 Ų | 67.5 | 12% | 0.12 | 34% | 0.335 | C | S | . | . | trans | -89.9 | 97 | 172.6 | -178 | 55.5 | 0 | 0 | 0 | 108.7 | F283 L299 F341 R345 H354 | F283-L352 HydrophobicContact CZ-CD1 3.96Å; L299-L352 HydrophobicContact CB-CD1 4.19Å; L299-L352 HydrophobicContact CD2-CD2 4.03Å; F341-L352 HydrophobicContact CB-CD2 4.38Å; R345-L352 VanDerWaalsContact NH1-CA 3.28Å; R345-L352 VanDerWaalsContact NH1-CB 3.32Å; L352-H354 PolarHBondContact O-N 2.97Å; L352-H354 PolarHBondContact O-ND1 3.44Å | ||
| 353 | F | 82.3 | Confident | 78.5 | Confident | 59 Ų | 59 | 71.1 Ų | 71.1 | 26% | 0.259 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 125 | 171.1 | -62.3 | -70.7 | 0 | 0 | 0 | 109.3 | I298 L299 P351 T375 | I298-F353 WeakPolarHBondContact CA-O 3.42Å; I298-F353 HydrophobicContact CB-CB 4.46Å; I298-F353 HydrophobicContact CG1-CB 4.05Å; I298-F353 HydrophobicContact CG2-CB 4.27Å; L299-F353 PolarHBondContact N-O 3.35Å; P351-F353 HydrophobicContact CG-CE1 4.4Å; P351-F353 HydrophobicContact CG-CE2 4.15Å; P351-F353 HydrophobicContact CG-CZ 3.89Å; P351-F353 PolarHBondContact O-N 2.81Å; F353-T375 HydrophobicContact CD1-CG2 3.76Å; F353-T375 HydrophobicContact CD2-CG2 3.88Å; F353-T375 HydrophobicContact CE1-CG2 3.59Å; F353-T375 HydrophobicContact CE2-CG2 3.7Å; F353-T375 HydrophobicContact CG-CG2 3.9Å; F353-T375 HydrophobicContact CZ-CG2 3.55Å |
| 354 | H | 83.3 | Confident | 77.9 | Confident | 67 Ų | 67 | 66.6 Ų | 66.6 | 31% | 0.31 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 150 | -179.3 | 66.7 | -79.7 | 0 | 0 | 0 | 111.5 | L299 L301 V338 L352 | L299-H354 HydrophobicContact CB-CB 3.92Å; L299-H354 HydrophobicContact CD2-CB 4.35Å; L299-H354 HydrophobicContact CG-CB 4.32Å; L299-H354 CarbonylContact O-C 3.47Å; L299-H354 WeakPolarHBondContact O-CA 3.48Å; L299-H354 WeakPolarHBondContact O-CB 3.33Å; L301-H354 HydrophobicContact CD1-CB 4.42Å; V338-H354 WeakPolarHBondContact CG2-CD2 3.4Å; L352-H354 PolarHBondContact O-N 2.97Å; L352-H354 PolarHBondContact O-ND1 3.44Å |
| 355 | H | 81.1 | Confident | 77.3 | Confident | 36 Ų | 36 | 63.8 Ų | 63.8 | 17% | 0.167 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 137.2 | 173.4 | -54.7 | -89 | 0 | 0 | 0 | 111.2 | L299 F300 L301 T357 V368 | L299-H355 PolarHBondContact O-N 3.17Å; F300-H355 WeakPolarHBondContact CA-O 3.36Å; F300-H355 HydrophobicContact CD1-CB 3.91Å; F300-H355 HydrophobicContact CE1-CB 4.06Å; F300-H355 AromaticContact CE1-CD2 3.71Å; L301-H355 PolarHBondContact N-O 3.45Å; H355-T357 HydrophobicContact CB-CG2 4.27Å; H355-V368 HydrophobicContact CB-CB 4.49Å; H355-V368 HydrophobicContact CB-CG1 3.73Å; H355-V368 HydrophobicContact CB-CG2 3.91Å |
| 356 | F | 79.9 | Confident | 76.8 | Confident | 49 Ų | 49 | 66.9 Ų | 66.9 | 22% | 0.215 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 128.1 | 166.1 | -63.6 | -77.4 | 0 | 0 | 0 | 108.7 | L301 T304 Q334 V338 | L301-F356 HydrophobicContact CB-CD1 3.64Å; L301-F356 HydrophobicContact CB-CE1 3.84Å; L301-F356 HydrophobicContact CD1-CD1 4.12Å; L301-F356 HydrophobicContact CD1-CE1 3.62Å; L301-F356 HydrophobicContact CD1-CZ 3.91Å; L301-F356 HydrophobicContact CD2-CE1 4.33Å; L301-F356 HydrophobicContact CG-CD1 4.4Å; L301-F356 HydrophobicContact CG-CE1 4.12Å; L301-F356 WeakPolarHBondContact O-CA 3.48Å; T304-F356 HydrophobicContact CG2-CB 4.38Å; Q334-F356 HydrophobicContact CB-CE1 3.73Å; Q334-F356 HydrophobicContact CB-CE2 4.06Å; Q334-F356 HydrophobicContact CB-CZ 3.42Å; Q334-F356 VanDerWaalsContact CB-CZ 3.42Å; Q334-F356 HydrophobicContact CG-CD1 3.96Å; Q334-F356 HydrophobicContact CG-CE1 3.5Å; Q334-F356 VanDerWaalsContact CG-CE1 3.5Å; Q334-F356 HydrophobicContact CG-CE2 4.29Å; Q334-F356 HydrophobicContact CG-CZ 3.7Å; V338-F356 HydrophobicContact CG2-CE1 4.49Å; V338-F356 HydrophobicContact CG2-CE2 4.21Å; V338-F356 HydrophobicContact CG2-CZ 3.61Å |
| 357 | T | 74.6 | Confident | 76.5 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 143.1 | -171.9 | 47.2 | 0 | 0 | 0 | 0 | 112.8 | R251 F300 L301 N302 K303 T304 H355 N364 I365 V368 | R251-T357 PolarHBondContact NH1-OG1 3.42Å; R251-T357 VanDerWaalsContact NH2-CB 3.28Å; R251-T357 PolarHBondContact NH2-OG1 3.44Å; F300-T357 HydrophobicContact CD1-CG2 4.08Å; L301-T357 PolarHBondContact O-N 2.68Å; L301-T357 PolarHBondContact O-OG1 2.99Å; N302-T357 CarbonylContact C-O 3.56Å; N302-T357 VanDerWaalsContact CA-O 3.26Å; N302-T357 WeakPolarHBondContact CA-O 3.22Å; N302-T357 PolarHBondContact OD1-O 3.2Å; K303-T357 PolarHBondContact N-O 3.38Å; T304-T357 PolarHBondContact N-O 3.19Å; T304-T357 PolarHBondContact OG1-N 3.46Å; T304-T357 PolarHBondContact OG1-O 2.93Å; H355-T357 HydrophobicContact CB-CG2 4.27Å; T357-N364 WeakPolarHBondContact CA-OD1 3.34Å; T357-I365 HydrophobicContact CG2-CD1 4Å; T357-V368 HydrophobicContact CG2-CB 4.11Å; T357-V368 HydrophobicContact CG2-CG1 3.77Å; T357-V368 HydrophobicContact CG2-CG2 3.79Å |
| 358 | T | 72.9 | Confident | 76.4 | Confident | 28 Ų | 28 | 59.6 Ų | 59.6 | 17% | 0.172 | 30% | 0.304 | C | S | . | . | trans | -114.3 | 100.4 | 168.6 | -60.9 | 0 | 0 | 0 | 0 | 106.9 | D305 V360 D361 N364 | D305-T358 HydrophobicContact CB-CG2 3.97Å; T358-V360 HydrophobicContact CG2-CB 4.35Å; T358-V360 PolarHBondContact O-N 3.15Å; T358-D361 HydrophobicContact CG2-CB 4.15Å; T358-D361 WeakPolarHBondContact O-CB 3.14Å; T358-D361 PolarHBondContact O-N 3.43Å; T358-N364 PolarHBondContact N-OD1 3.35Å | ||
| 359 | A | 61.5 | Low | 76.2 | Confident | 7 Ų | 7 | 52.8 Ų | 52.8 | 6% | 0.058 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -15.6 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | T75 Q79 N302 | T75-A359 HydrophobicContact CG2-CB 3.81Å; Q79-A359 WeakPolarHBondContact CG-O 3.3Å; Q79-A359 PolarHBondContact NE2-O 3.07Å; N302-A359 WeakPolarHBondContact OD1-CB 3.17Å; N302-A359 PolarHBondContact OD1-N 2.69Å |
| 360 | V | 66.7 | Low | 76.2 | Confident | 46 Ų | 46 | 53.7 Ų | 53.7 | 28% | 0.279 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -28.7 | 174.6 | -177.1 | 0 | 0 | 0 | 0 | 111.3 | Q79 F208 T358 T362 | Q79-V360 PolarHBondContact NE2-O 3.21Å; F208-V360 HydrophobicContact CE1-CG1 4.16Å; F208-V360 HydrophobicContact CE1-CG2 3.6Å; F208-V360 HydrophobicContact CE2-CG1 4.13Å; F208-V360 HydrophobicContact CZ-CB 4.3Å; F208-V360 HydrophobicContact CZ-CG1 3.44Å; F208-V360 VanDerWaalsContact CZ-CG1 3.44Å; F208-V360 HydrophobicContact CZ-CG2 3.8Å; T358-V360 HydrophobicContact CG2-CB 4.35Å; T358-V360 PolarHBondContact O-N 3.15Å; V360-T362 PolarHBondContact O-N 3.04Å |
| 361 | D | 73.9 | Confident | 76.3 | Confident | 75 Ų | 75 | 50.3 Ų | 50.3 | 40% | 0.401 | 25% | 0.253 | S | S | . | . | trans | -86 | 108.9 | -178.5 | -179.9 | -9.9 | 0 | 0 | 0 | 110.3 | T358 E363 N364 I365 | T358-D361 HydrophobicContact CG2-CB 4.15Å; T358-D361 WeakPolarHBondContact O-CB 3.14Å; T358-D361 PolarHBondContact O-N 3.43Å; D361-E363 VanDerWaalsContact C-N 3.34Å; D361-E363 PolarHBondContact O-N 3.46Å; D361-E363 PolarHBondContact OD1-N 3.25Å; D361-N364 HydrophobicContact CB-CB 3.86Å; D361-N364 VanDerWaalsContact CG-CB 3.49Å; D361-N364 PolarHBondContact OD1-N 3.17Å; D361-N364 VanDerWaalsContact OD1-N 3.11Å; D361-N364 WeakPolarHBondContact OD2-CB 3.44Å; D361-I365 WeakPolarHBondContact O-CG1 3.46Å; D361-I365 PolarHBondContact O-N 2.92Å; D361-I365 VanDerWaalsContact O-N 3.11Å | ||
| 362 | T | 75.3 | Confident | 76 | Confident | 46 Ų | 46 | 46.1 Ų | 46.1 | 28% | 0.282 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.4 | -38.1 | -178.8 | -51 | 0 | 0 | 0 | 0 | 112.2 | Q79 I83 V360 I365 R366 | Q79-T362 PolarHBondContact NE2-OG1 3.02Å; Q79-T362 PolarHBondContact OE1-OG1 3.09Å; I83-T362 HydrophobicContact CD1-CG2 4.48Å; I83-T362 HydrophobicContact CG1-CG2 4.08Å; V360-T362 PolarHBondContact O-N 3.04Å; T362-I365 PolarHBondContact O-N 3.49Å; T362-R366 WeakPolarHBondContact O-CB 3.26Å; T362-R366 PolarHBondContact O-N 3.08Å |
| 363 | E | 77.1 | Confident | 75.5 | Confident | 114 Ų | 114 | 50 Ų | 50 | 53% | 0.533 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -74.6 | -39.6 | -177.4 | -71.5 | -55.4 | 117.2 | 0 | 0 | 111.1 | D361 I365 R366 F367 | D361-E363 VanDerWaalsContact C-N 3.34Å; D361-E363 PolarHBondContact O-N 3.46Å; D361-E363 PolarHBondContact OD1-N 3.25Å; E363-I365 VanDerWaalsContact C-N 3.33Å; E363-I365 PolarHBondContact O-N 3.36Å; E363-R366 WeakPolarHBondContact O-CB 3.37Å; E363-R366 PolarHBondContact O-N 3.42Å; E363-R366 IonicContact OE1-CZ 3.69Å; E363-R366 IonicContact OE1-NE 3.85Å; E363-R366 PolarHBondContact OE1-NE 3.37Å; E363-R366 VanDerWaalsContact OE1-NE 3.09Å; E363-R366 IonicContact OE1-NH2 3.92Å; E363-R366 IonicContact OE2-NE 3.71Å; E363-F367 PolarHBondContact O-N 2.71Å |
| 364 | N | 76.9 | Confident | 75.2 | Confident | 41 Ų | 41 | 51 Ų | 51 | 22% | 0.219 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -59.2 | -44.4 | 171.2 | 177.6 | -112.4 | 0 | 0 | 0 | 111.7 | T357 T358 D361 V368 | T357-N364 WeakPolarHBondContact CA-OD1 3.34Å; T358-N364 PolarHBondContact N-OD1 3.35Å; D361-N364 HydrophobicContact CB-CB 3.86Å; D361-N364 VanDerWaalsContact CG-CB 3.49Å; D361-N364 PolarHBondContact OD1-N 3.17Å; D361-N364 VanDerWaalsContact OD1-N 3.11Å; D361-N364 WeakPolarHBondContact OD2-CB 3.44Å; N364-V368 WeakPolarHBondContact O-CB 3.11Å; N364-V368 VanDerWaalsContact O-CG2 3.26Å; N364-V368 WeakPolarHBondContact O-CG2 3.27Å; N364-V368 PolarHBondContact O-N 3.41Å |
| 365 | I | 77 | Confident | 74.6 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.1 | -36.5 | 177 | -64.8 | -55.8 | 0 | 0 | 0 | 111.9 | F76 Q79 M80 I83 T357 D361 T362 E363 F369 | F76-I365 HydrophobicContact CD2-CD1 4.05Å; F76-I365 HydrophobicContact CD2-CG2 4.3Å; F76-I365 HydrophobicContact CE2-CD1 4.15Å; F76-I365 HydrophobicContact CE2-CG2 4.04Å; Q79-I365 HydrophobicContact CB-CB 4.46Å; Q79-I365 HydrophobicContact CB-CG2 3.85Å; Q79-I365 HydrophobicContact CG-CG1 4.34Å; Q79-I365 HydrophobicContact CG-CG2 4.43Å; M80-I365 HydrophobicContact CE-CG2 3.37Å; I83-I365 HydrophobicContact CD1-CB 4.2Å; I83-I365 HydrophobicContact CD1-CG2 3.73Å; T357-I365 HydrophobicContact CG2-CD1 4Å; D361-I365 WeakPolarHBondContact O-CG1 3.46Å; D361-I365 PolarHBondContact O-N 2.92Å; D361-I365 VanDerWaalsContact O-N 3.11Å; T362-I365 PolarHBondContact O-N 3.49Å; E363-I365 VanDerWaalsContact C-N 3.33Å; E363-I365 PolarHBondContact O-N 3.36Å; I365-F369 WeakPolarHBondContact O-CB 3.27Å; I365-F369 PolarHBondContact O-N 3.2Å |
| 366 | R | 76.6 | Confident | 74.1 | Confident | 88 Ų | 88 | 47.2 Ų | 47.2 | 33% | 0.332 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59.6 | -52.8 | 174.5 | -177.9 | -170.6 | -64.3 | -79.9 | 1.7 | 110.8 | I83 T362 E363 V368 F369 H370 | I83-R366 HydrophobicContact CD1-CB 4.18Å; I83-R366 HydrophobicContact CG2-CG 4.4Å; T362-R366 WeakPolarHBondContact O-CB 3.26Å; T362-R366 PolarHBondContact O-N 3.08Å; E363-R366 WeakPolarHBondContact O-CB 3.37Å; E363-R366 PolarHBondContact O-N 3.42Å; E363-R366 IonicContact OE1-CZ 3.69Å; E363-R366 IonicContact OE1-NE 3.85Å; E363-R366 PolarHBondContact OE1-NE 3.37Å; E363-R366 VanDerWaalsContact OE1-NE 3.09Å; E363-R366 IonicContact OE1-NH2 3.92Å; E363-R366 IonicContact OE2-NE 3.71Å; R366-V368 PolarHBondContact O-N 2.95Å; R366-F369 PolarHBondContact O-N 3.08Å; R366-H370 PolarHBondContact O-CD2 3.25Å; R366-H370 PolarHBondContact O-N 3.39Å |
| 367 | F | 80.1 | Confident | 73.5 | Confident | 148 Ų | 148 | 48.4 Ų | 48.4 | 65% | 0.649 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -58.2 | -49.6 | 178.5 | 177.6 | -95.9 | 0 | 0 | 0 | 111.9 | E363 F369 H370 A371 | E363-F367 PolarHBondContact O-N 2.71Å; F367-F369 VanDerWaalsContact C-N 3.27Å; F367-F369 PolarHBondContact O-N 2.93Å; F367-H370 PolarHBondContact O-N 3.02Å; F367-A371 PolarHBondContact O-N 2.92Å |
| 368 | V | 76.5 | Confident | 73.3 | Confident | 3 Ų | 3 | 54.2 Ų | 54.2 | 2% | 0.018 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.8 | -37.1 | -179.8 | 168.3 | 0 | 0 | 0 | 0 | 111.5 | F300 H355 T357 N364 R366 A371 V372 | F300-V368 HydrophobicContact CD1-CG1 3.99Å; F300-V368 HydrophobicContact CE1-CG1 3.17Å; F300-V368 HydrophobicContact CZ-CG1 3.75Å; H355-V368 HydrophobicContact CB-CB 4.49Å; H355-V368 HydrophobicContact CB-CG1 3.73Å; H355-V368 HydrophobicContact CB-CG2 3.91Å; T357-V368 HydrophobicContact CG2-CB 4.11Å; T357-V368 HydrophobicContact CG2-CG1 3.77Å; T357-V368 HydrophobicContact CG2-CG2 3.79Å; N364-V368 WeakPolarHBondContact O-CB 3.11Å; N364-V368 VanDerWaalsContact O-CG2 3.26Å; N364-V368 WeakPolarHBondContact O-CG2 3.27Å; N364-V368 PolarHBondContact O-N 3.41Å; R366-V368 PolarHBondContact O-N 2.95Å; V368-A371 PolarHBondContact O-N 2.66Å; V368-V372 HydrophobicContact CG1-CG2 4.32Å; V368-V372 WeakPolarHBondContact O-CB 3.44Å; V368-V372 WeakPolarHBondContact O-CG2 3.45Å; V368-V372 PolarHBondContact O-N 2.8Å |
| 369 | F | 74.9 | Confident | 73 | Confident | 18 Ų | 18 | 55.4 Ų | 55.4 | 8% | 0.079 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -68.1 | -39.4 | 176.6 | -177.7 | -109.2 | 0 | 0 | 0 | 112.8 | I63 M80 P226 I365 R366 F367 V372 K373 | I63-F369 HydrophobicContact CD1-CE2 4.5Å; M80-F369 HydrophobicContact CE-CB 3.73Å; M80-F369 HydrophobicContact CE-CD1 4.44Å; M80-F369 HydrophobicContact CE-CD2 3.76Å; M80-F369 HydrophobicContact CE-CE2 4.48Å; M80-F369 HydrophobicContact CE-CG 3.72Å; M80-F369 HydrophobicContact SD-CB 4.35Å; M80-F369 HydrophobicContact SD-CD1 4.19Å; M80-F369 HydrophobicContact SD-CD2 3.25Å; M80-F369 WeakPolarHBondContact SD-CD2 3.47Å; M80-F369 HydrophobicContact SD-CE1 4.31Å; M80-F369 HydrophobicContact SD-CE2 3.4Å; M80-F369 WeakPolarHBondContact SD-CE2 3.12Å; M80-F369 HydrophobicContact SD-CG 3.67Å; M80-F369 HydrophobicContact SD-CZ 3.93Å; P226-F369 HydrophobicContact CG-CZ 4.11Å; I365-F369 WeakPolarHBondContact O-CB 3.27Å; I365-F369 PolarHBondContact O-N 3.2Å; R366-F369 PolarHBondContact O-N 3.08Å; F367-F369 VanDerWaalsContact C-N 3.27Å; F367-F369 PolarHBondContact O-N 2.93Å; F369-V372 PolarHBondContact O-N 3.33Å; F369-K373 WeakPolarHBondContact O-CB 3.43Å; F369-K373 PolarHBondContact O-N 3.45Å |
| 370 | H | 76.2 | Confident | 73.1 | Confident | 91 Ų | 91 | 57.7 Ų | 57.7 | 42% | 0.421 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.3 | -48.5 | 172.8 | -83.3 | -75.4 | 0 | 0 | 0 | 111.3 | R366 F367 V372 K373 D374 | R366-H370 PolarHBondContact O-CD2 3.25Å; R366-H370 PolarHBondContact O-N 3.39Å; F367-H370 PolarHBondContact O-N 3.02Å; H370-V372 VanDerWaalsContact C-N 3.3Å; H370-V372 PolarHBondContact O-N 3.36Å; H370-K373 WeakPolarHBondContact O-CB 3.18Å; H370-K373 PolarHBondContact O-N 3Å; H370-K373 VanDerWaalsContact O-N 3.13Å; H370-D374 VanDerWaalsContact O-CG 3.27Å; H370-D374 PolarHBondContact O-N 2.85Å |
| 371 | A | 74.8 | Confident | 72.9 | Confident | 26 Ų | 26 | 59.8 Ų | 59.8 | 22% | 0.215 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.3 | -39.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | F367 V368 D374 T375 | F367-A371 PolarHBondContact O-N 2.92Å; V368-A371 PolarHBondContact O-N 2.66Å; A371-D374 PolarHBondContact O-N 3.36Å; A371-T375 WeakPolarHBondContact O-CB 3.44Å; A371-T375 PolarHBondContact O-N 3.48Å; A371-T375 PolarHBondContact O-OG1 3.24Å |
| 372 | V | 72.8 | Confident | 72.3 | Confident | 4 Ų | 4 | 62.4 Ų | 62.4 | 2% | 0.024 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.3 | -46 | 175 | 164.9 | 0 | 0 | 0 | 0 | 111.3 | I298 F300 V368 F369 H370 D374 T375 I376 | I298-V372 HydrophobicContact CD1-CB 4.11Å; I298-V372 HydrophobicContact CD1-CG1 3.59Å; I298-V372 HydrophobicContact CD1-CG2 3.93Å; I298-V372 HydrophobicContact CG2-CG2 4.2Å; F300-V372 HydrophobicContact CE1-CG2 3.91Å; F300-V372 HydrophobicContact CZ-CG2 3.7Å; V368-V372 HydrophobicContact CG1-CG2 4.32Å; V368-V372 WeakPolarHBondContact O-CB 3.44Å; V368-V372 WeakPolarHBondContact O-CG2 3.45Å; V368-V372 PolarHBondContact O-N 2.8Å; F369-V372 PolarHBondContact O-N 3.33Å; H370-V372 VanDerWaalsContact C-N 3.3Å; H370-V372 PolarHBondContact O-N 3.36Å; V372-D374 VanDerWaalsContact C-N 3.3Å; V372-D374 PolarHBondContact O-N 3.05Å; V372-T375 PolarHBondContact O-N 3.46Å; V372-I376 HydrophobicContact CG1-CD1 3.6Å; V372-I376 HydrophobicContact CG1-CG1 4.41Å; V372-I376 WeakPolarHBondContact O-CB 3.42Å; V372-I376 VanDerWaalsContact O-CG1 3.22Å; V372-I376 WeakPolarHBondContact O-CG1 3.36Å; V372-I376 PolarHBondContact O-N 3.22Å |
| 373 | K | 72.2 | Confident | 71.6 | Confident | 103 Ų | 103 | 65 Ų | 65 | 45% | 0.448 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58.9 | -45.4 | 177.9 | -177.5 | -174.7 | 169.5 | -173 | 0 | 110.2 | F369 H370 I376 L377 | F369-K373 WeakPolarHBondContact O-CB 3.43Å; F369-K373 PolarHBondContact O-N 3.45Å; H370-K373 WeakPolarHBondContact O-CB 3.18Å; H370-K373 PolarHBondContact O-N 3Å; H370-K373 VanDerWaalsContact O-N 3.13Å; K373-I376 PolarHBondContact O-N 2.96Å; K373-L377 HydrophobicContact CD-CD1 4.43Å; K373-L377 HydrophobicContact CG-CD1 3.82Å; K373-L377 HydrophobicContact CG-CG 4.35Å; K373-L377 WeakPolarHBondContact O-CB 3.28Å; K373-L377 WeakPolarHBondContact O-CG 3.49Å; K373-L377 PolarHBondContact O-N 3.36Å |
| 374 | D | 74.3 | Confident | 70.5 | Confident | 81 Ų | 81 | 64.8 Ų | 64.8 | 43% | 0.433 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65.7 | -42.9 | -179.7 | -63.9 | -18.5 | 0 | 0 | 0 | 111.6 | H370 A371 V372 I376 L377 Q378 | H370-D374 VanDerWaalsContact O-CG 3.27Å; H370-D374 PolarHBondContact O-N 2.85Å; A371-D374 PolarHBondContact O-N 3.36Å; V372-D374 VanDerWaalsContact C-N 3.3Å; V372-D374 PolarHBondContact O-N 3.05Å; D374-I376 PolarHBondContact O-N 3.43Å; D374-L377 PolarHBondContact O-N 3.26Å; D374-Q378 WeakPolarHBondContact O-CB 3.33Å; D374-Q378 VanDerWaalsContact O-CG 3.24Å; D374-Q378 WeakPolarHBondContact O-CG 3.35Å; D374-Q378 PolarHBondContact O-N 3.34Å |
| 375 | T | 72.3 | Confident | 68.9 | Low | 19 Ų | 19 | 70.5 Ų | 70.5 | 12% | 0.117 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.4 | -47 | 175.8 | -55.7 | 0 | 0 | 0 | 0 | 111.4 | F353 A371 V372 Q378 E379 | F353-T375 HydrophobicContact CD1-CG2 3.76Å; F353-T375 HydrophobicContact CD2-CG2 3.88Å; F353-T375 HydrophobicContact CE1-CG2 3.59Å; F353-T375 HydrophobicContact CE2-CG2 3.7Å; F353-T375 HydrophobicContact CG-CG2 3.9Å; F353-T375 HydrophobicContact CZ-CG2 3.55Å; A371-T375 WeakPolarHBondContact O-CB 3.44Å; A371-T375 PolarHBondContact O-N 3.48Å; A371-T375 PolarHBondContact O-OG1 3.24Å; V372-T375 PolarHBondContact O-N 3.46Å; T375-Q378 PolarHBondContact O-N 2.68Å; T375-E379 PolarHBondContact O-N 3.21Å; T375-E379 VanDerWaalsContact O-N 3.1Å |
| 376 | I | 69.4 | Low | 67.4 | Low | 5 Ų | 5 | 77.6 Ų | 77.6 | 3% | 0.026 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -68.4 | -39.6 | -179.5 | -65.4 | 169.5 | 0 | 0 | 0 | 111 | V61 I63 T247 I298 V372 K373 D374 N380 | V61-I376 HydrophobicContact CG1-CG2 3.8Å; I63-I376 HydrophobicContact CD1-CD1 4.45Å; T247-I376 HydrophobicContact CG2-CD1 3.79Å; T247-I376 HydrophobicContact CG2-CG1 3.9Å; T247-I376 HydrophobicContact CG2-CG2 4.33Å; I298-I376 HydrophobicContact CD1-CD1 4.24Å; I298-I376 HydrophobicContact CD1-CG1 4.22Å; V372-I376 HydrophobicContact CG1-CD1 3.6Å; V372-I376 HydrophobicContact CG1-CG1 4.41Å; V372-I376 WeakPolarHBondContact O-CB 3.42Å; V372-I376 VanDerWaalsContact O-CG1 3.22Å; V372-I376 WeakPolarHBondContact O-CG1 3.36Å; V372-I376 PolarHBondContact O-N 3.22Å; K373-I376 PolarHBondContact O-N 2.96Å; D374-I376 PolarHBondContact O-N 3.43Å; I376-N380 VanDerWaalsContact CG2-ND2 3.33Å; I376-N380 WeakPolarHBondContact CG2-ND2 3.45Å; I376-N380 WeakPolarHBondContact O-CB 3.24Å; I376-N380 PolarHBondContact O-N 3.48Å; I376-N380 PolarHBondContact O-ND2 3.28Å |
| 377 | L | 68.4 | Low | 65.5 | Low | 74 Ų | 74 | 84 Ų | 84 | 39% | 0.387 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.8 | -43.1 | 176.2 | -75 | 172.5 | 0 | 0 | 0 | 111.3 | K373 D374 E379 N380 L381 | K373-L377 HydrophobicContact CD-CD1 4.43Å; K373-L377 HydrophobicContact CG-CD1 3.82Å; K373-L377 HydrophobicContact CG-CG 4.35Å; K373-L377 WeakPolarHBondContact O-CB 3.28Å; K373-L377 WeakPolarHBondContact O-CG 3.49Å; K373-L377 PolarHBondContact O-N 3.36Å; D374-L377 PolarHBondContact O-N 3.26Å; L377-E379 PolarHBondContact O-N 2.94Å; L377-N380 PolarHBondContact O-N 3.28Å; L377-L381 VanDerWaalsContact O-CB 3.27Å; L377-L381 WeakPolarHBondContact O-CB 3.18Å; L377-L381 WeakPolarHBondContact O-CG 3.11Å; L377-L381 PolarHBondContact O-N 2.71Å |
| 378 | Q | 69.4 | Low | 64.8 | Low | 122 Ų | 122 | 80.8 Ų | 80.8 | 57% | 0.57 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -62.3 | -42.1 | 177.6 | -75.6 | 176.7 | 1.8 | 0 | 0 | 112.4 | D374 T375 K382 | D374-Q378 WeakPolarHBondContact O-CB 3.33Å; D374-Q378 VanDerWaalsContact O-CG 3.24Å; D374-Q378 WeakPolarHBondContact O-CG 3.35Å; D374-Q378 PolarHBondContact O-N 3.34Å; T375-Q378 PolarHBondContact O-N 2.68Å; Q378-K382 WeakPolarHBondContact O-CG 3.43Å; Q378-K382 PolarHBondContact O-N 3.3Å |
| 379 | E | 67.3 | Low | 64.2 | Low | 53 Ų | 53 | 84.8 Ų | 84.8 | 25% | 0.248 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -68 | -43.4 | 176.3 | -73.1 | -170.9 | 161.6 | 0 | 0 | 112.1 | S296 T375 L377 L381 K382 D383 | S296-E379 WeakPolarHBondContact CB-OE2 3.38Å; S296-E379 PolarHBondContact OG-OE2 2.92Å; T375-E379 PolarHBondContact O-N 3.21Å; T375-E379 VanDerWaalsContact O-N 3.1Å; L377-E379 PolarHBondContact O-N 2.94Å; E379-L381 VanDerWaalsContact C-N 3.33Å; E379-L381 PolarHBondContact O-N 3.46Å; E379-K382 PolarHBondContact O-N 3.24Å; E379-D383 PolarHBondContact O-N 2.87Å |
| 380 | N | 64 | Low | 63.6 | Low | 54 Ų | 54 | 88.6 Ų | 88.6 | 29% | 0.289 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -64.7 | -36.3 | 175.7 | -74.7 | -44.7 | 0 | 0 | 0 | 112.4 | I376 L377 D383 I384 | I376-N380 VanDerWaalsContact CG2-ND2 3.33Å; I376-N380 WeakPolarHBondContact CG2-ND2 3.45Å; I376-N380 WeakPolarHBondContact O-CB 3.24Å; I376-N380 PolarHBondContact O-N 3.48Å; I376-N380 PolarHBondContact O-ND2 3.28Å; L377-N380 PolarHBondContact O-N 3.28Å; N380-D383 PolarHBondContact O-N 3.18Å; N380-I384 WeakPolarHBondContact O-CD1 3.23Å; N380-I384 WeakPolarHBondContact O-CG1 3.28Å; N380-I384 PolarHBondContact O-N 2.91Å |
| 381 | L | 61.8 | Low | 62.9 | Low | 90 Ų | 90 | 88.4 Ų | 88.4 | 47% | 0.471 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -66.3 | -39.2 | 176 | -77.6 | 169 | 0 | 0 | 0 | 111.5 | L377 E379 D383 I384 M385 | L377-L381 VanDerWaalsContact O-CB 3.27Å; L377-L381 WeakPolarHBondContact O-CB 3.18Å; L377-L381 WeakPolarHBondContact O-CG 3.11Å; L377-L381 PolarHBondContact O-N 2.71Å; E379-L381 VanDerWaalsContact C-N 3.33Å; E379-L381 PolarHBondContact O-N 3.46Å; L381-D383 VanDerWaalsContact C-N 3.34Å; L381-I384 PolarHBondContact O-N 3.35Å; L381-M385 WeakPolarHBondContact O-CB 3.47Å; L381-M385 VanDerWaalsContact O-CG 3.32Å; L381-M385 WeakPolarHBondContact O-CG 3.28Å; L381-M385 PolarHBondContact O-N 3.4Å |
| 382 | K | 60.9 | Low | 62.1 | Low | 131 Ų | 131 | 92.3 Ų | 92.3 | 57% | 0.57 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -60.7 | -44.8 | 172.5 | -74.4 | 174.9 | -178.1 | -179.9 | 0 | 111.2 | Q378 E379 I384 M385 L386 | Q378-K382 WeakPolarHBondContact O-CG 3.43Å; Q378-K382 PolarHBondContact O-N 3.3Å; E379-K382 PolarHBondContact O-N 3.24Å; K382-I384 VanDerWaalsContact C-N 3.3Å; K382-I384 PolarHBondContact O-N 3.24Å; K382-M385 PolarHBondContact O-N 3.4Å; K382-L386 VanDerWaalsContact O-CB 3.29Å; K382-L386 WeakPolarHBondContact O-CB 3.44Å; K382-L386 WeakPolarHBondContact O-CD1 3.25Å; K382-L386 WeakPolarHBondContact O-CG 3.47Å; K382-L386 PolarHBondContact O-N 3.01Å |
| 383 | D | 60.2 | Low | 61.4 | Low | 100 Ų | 100 | 98.2 Ų | 98.2 | 54% | 0.535 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.6 | -33.2 | 177.2 | -77.6 | -4.7 | 0 | 0 | 0 | 112.7 | E379 N380 L381 Q387 | E379-D383 PolarHBondContact O-N 2.87Å; N380-D383 PolarHBondContact O-N 3.18Å; L381-D383 VanDerWaalsContact C-N 3.34Å; D383-Q387 WeakPolarHBondContact O-CG 3.43Å; D383-Q387 PolarHBondContact O-N 2.95Å |
| 384 | I | 54.2 | Low | 60.7 | Low | 110 Ų | 110 | 97.9 Ų | 97.9 | 56% | 0.564 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -77.3 | -35.7 | 176.7 | -67.8 | 163.4 | 0 | 0 | 0 | 111.9 | N380 L381 K382 L386 | N380-I384 WeakPolarHBondContact O-CD1 3.23Å; N380-I384 WeakPolarHBondContact O-CG1 3.28Å; N380-I384 PolarHBondContact O-N 2.91Å; L381-I384 PolarHBondContact O-N 3.35Å; K382-I384 VanDerWaalsContact C-N 3.3Å; K382-I384 PolarHBondContact O-N 3.24Å; I384-L386 VanDerWaalsContact C-N 3.29Å |
| 385 | M | 44 | Very low | 59.6 | Low | 160 Ų | 160 | 99.2 Ų | 99.2 | 79% | 0.788 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -76 | -18.1 | 177.1 | -73.8 | -177.9 | 168.2 | 0 | 0 | 112.9 | L381 K382 | L381-M385 WeakPolarHBondContact O-CB 3.47Å; L381-M385 VanDerWaalsContact O-CG 3.32Å; L381-M385 WeakPolarHBondContact O-CG 3.28Å; L381-M385 PolarHBondContact O-N 3.4Å; K382-M385 PolarHBondContact O-N 3.4Å |
| 386 | L | 45.6 | Very low | 58.6 | Low | 149 Ų | 149 | 105.8 Ų | 105.8 | 78% | 0.78 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | -1.6 | 176.4 | -71 | 166.5 | 0 | 0 | 0 | 113.4 | K382 I384 | K382-L386 VanDerWaalsContact O-CB 3.29Å; K382-L386 WeakPolarHBondContact O-CB 3.44Å; K382-L386 WeakPolarHBondContact O-CD1 3.25Å; K382-L386 WeakPolarHBondContact O-CG 3.47Å; K382-L386 PolarHBondContact O-N 3.01Å; I384-L386 VanDerWaalsContact C-N 3.29Å |
| 387 | Q | 37.4 | Very low | 57.6 | Low | 222 Ų | 222 | 115 Ų | 115 | 100% | 1.037 | 57% | 0.567 | S | S | * | * | trans | -103.5 | 0 | 169.9 | -79.3 | -174.9 | -9.4 | 0 | 0 | 110.2 | D383 | D383-Q387 WeakPolarHBondContact O-CG 3.43Å; D383-Q387 PolarHBondContact O-N 2.95Å |
Retrieved 387 of 387 residues in 813.4 ms
(Link to these results)