| 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 | 36.6 | Very low | 44.1 | Very low | 242 Ų | 242 | 170.9 Ų | 170.9 | 100% | 1.192 | 84% | 0.838 | S | S | * | * | 0 | 121 | 0 | -122.7 | 177.9 | 175.9 | 0 | 0 | 108.7 | |||||
| 2 | K | 35.9 | Very low | 44.7 | Very low | 196 Ų | 196 | 168.3 Ų | 168.3 | 85% | 0.852 | 83% | 0.83 | S | S | * | * | trans | -163.2 | 100.2 | 155.6 | -109 | 175.2 | -173.1 | -179.5 | 0 | 107.9 | ||||
| 3 | V | 39.6 | Very low | 45.1 | Very low | 135 Ų | 135 | 164.5 Ų | 164.5 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | -94.2 | 122.2 | 163.1 | 175 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 4 | L | 40.9 | Very low | 45.7 | Very low | 143 Ų | 143 | 158.9 Ų | 158.9 | 75% | 0.749 | 80% | 0.798 | S | S | * | * | trans | -127.2 | 127.4 | 169.8 | -79.1 | 171.7 | 0 | 0 | 0 | 108.8 | ||||
| 5 | V | 42.2 | Very low | 46 | Very low | 131 Ų | 131 | 162.6 Ų | 162.6 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | trans | -82 | 129.4 | -174 | 174.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 6 | F | 44.6 | Very low | 46.5 | Very low | 202 Ų | 202 | 155.6 Ų | 155.6 | 89% | 0.886 | 78% | 0.775 | S | S | * | * | trans | -89.7 | 126.3 | 174.9 | -81.7 | -91.1 | 0 | 0 | 0 | 110.9 | ||||
| 7 | P | 48.5 | Very low | 46.7 | Very low | 109 Ų | 109 | 150.7 Ų | 150.7 | 71% | 0.708 | 76% | 0.759 | S | S | * | * | trans | -99.1 | 111.3 | 172.4 | 33.1 | -22.8 | 0 | 0 | 0 | 110.2 | ||||
| 8 | D | 49.1 | Very low | 47 | Very low | 142 Ų | 142 | 150 Ų | 150 | 76% | 0.759 | 76% | 0.757 | S | S | * | * | trans | -171.2 | 32.3 | 158.6 | -100.6 | -20.2 | 0 | 0 | 0 | 115.7 | Q10 | D8-Q10 PolarHBondContact O-N 3.5Š| ||
| 9 | F | 48.1 | Very low | 47.3 | Very low | 178 Ų | 178 | 149.7 Ų | 149.7 | 78% | 0.781 | 75% | 0.753 | S | S | * | * | trans | -81.7 | -12.5 | -175.2 | -128.5 | -90.8 | 0 | 0 | 0 | 115.4 | ||||
| 10 | Q | 50.5 | Low | 47.7 | Very low | 184 Ų | 184 | 147.7 Ų | 147.7 | 86% | 0.86 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -21.2 | -169.7 | -102.6 | -179.4 | -15.1 | 0 | 0 | 115.3 | D8 | D8-Q10 PolarHBondContact O-N 3.5Š|
| 11 | R | 49.1 | Very low | 47.9 | Very low | 218 Ų | 218 | 145.1 Ų | 145.1 | 82% | 0.823 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -15.5 | -175.3 | -69.8 | -174.7 | 177.3 | -171.4 | 0.6 | 114.6 | ||
| 12 | L | 51.6 | Low | 48.9 | Very low | 140 Ų | 140 | 137.2 Ų | 137.2 | 73% | 0.733 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -85.7 | -22 | -176.2 | -97.3 | 141 | 0 | 0 | 0 | 114.4 | ||
| 13 | L | 50.2 | Low | 49.9 | Very low | 119 Ų | 119 | 132 Ų | 132 | 62% | 0.623 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -80.6 | -21.2 | -169.9 | -69.7 | 172.3 | 0 | 0 | 0 | 115 | ||
| 14 | S | 52.4 | Low | 50.7 | Low | 86 Ų | 86 | 134.2 Ų | 134.2 | 60% | 0.601 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -74.9 | -32.3 | -174.2 | 67.6 | 0 | 0 | 0 | 0 | 113.8 | ||
| 15 | R | 51 | Low | 51.5 | Low | 214 Ų | 214 | 134 Ų | 134 | 81% | 0.808 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -75.3 | -29.8 | -179.7 | -79.8 | -174.7 | 168.9 | -173.6 | -2.6 | 113.6 | ||
| 16 | A | 53.9 | Low | 52.2 | Low | 51 Ų | 51 | 131.1 Ų | 131.1 | 42% | 0.421 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -71.3 | -31.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | L20 | A16-L20 PolarHBondContact O-N 3.44Å |
| 17 | S | 50.5 | Low | 52.9 | Low | 72 Ų | 72 | 129 Ų | 129 | 50% | 0.503 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -68.4 | -39.9 | -174.5 | -177.5 | 0 | 0 | 0 | 0 | 113.5 | Q19 L20 L21 | S17-Q19 PolarHBondContact O-N 3.47Å; S17-L20 PolarHBondContact O-N 3.4Å; S17-L21 PolarHBondContact O-N 3.47Å |
| 18 | L | 51.3 | Low | 53.8 | Low | 138 Ų | 138 | 133.4 Ų | 133.4 | 72% | 0.723 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -67.9 | -35.5 | -178.4 | -87.6 | 156 | 0 | 0 | 0 | 113 | ||
| 19 | Q | 52.9 | Low | 54.5 | Low | 145 Ų | 145 | 136.9 Ų | 136.9 | 68% | 0.678 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -72.2 | -33.1 | 178.1 | -70.8 | -176.4 | -15.5 | 0 | 0 | 112.5 | S17 L21 S22 V23 | S17-Q19 PolarHBondContact O-N 3.47Å; Q19-L21 PolarHBondContact O-N 3.24Å; Q19-S22 PolarHBondContact O-OG 3.45Å; Q19-S22 VanDerWaalsContact O-OG 3.11Å; Q19-V23 VanDerWaalsContact O-CG2 3.32Å; Q19-V23 WeakPolarHBondContact O-CG2 3.32Å; Q19-V23 PolarHBondContact O-N 3.11Å |
| 20 | L | 54.3 | Low | 55.8 | Low | 108 Ų | 108 | 130.4 Ų | 130.4 | 57% | 0.565 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -68.3 | -33.2 | 179.5 | -93 | 154.5 | 0 | 0 | 0 | 113.2 | A16 S17 R24 | A16-L20 PolarHBondContact O-N 3.44Å; S17-L20 PolarHBondContact O-N 3.4Å; L20-R24 PolarHBondContact O-N 3.36Å |
| 21 | L | 53.3 | Low | 57.2 | Low | 95 Ų | 95 | 126.7 Ų | 126.7 | 50% | 0.497 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -69.2 | -46.4 | 178.5 | -85.8 | 154 | 0 | 0 | 0 | 112 | S17 Q19 V23 R24 F25 | S17-L21 PolarHBondContact O-N 3.47Å; Q19-L21 PolarHBondContact O-N 3.24Å; L21-V23 VanDerWaalsContact C-N 3.32Å; L21-V23 PolarHBondContact O-N 3.37Å; L21-R24 PolarHBondContact O-N 3.48Å; L21-F25 HydrophobicContact CD2-CE2 4.47Å; L21-F25 VanDerWaalsContact O-CD2 3.3Å; L21-F25 WeakPolarHBondContact O-CD2 3.3Å; L21-F25 PolarHBondContact O-N 3.42Å |
| 22 | S | 56.8 | Low | 58.7 | Low | 76 Ų | 76 | 123.8 Ų | 123.8 | 53% | 0.531 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -63.2 | -37.5 | -178.7 | 64.2 | 0 | 0 | 0 | 0 | 112.5 | Q19 R24 F25 A26 | Q19-S22 PolarHBondContact O-OG 3.45Å; Q19-S22 VanDerWaalsContact O-OG 3.11Å; S22-R24 PolarHBondContact O-N 3.5Å; S22-F25 PolarHBondContact O-N 3.49Å; S22-A26 PolarHBondContact O-N 3.32Å |
| 23 | V | 58 | Low | 60.1 | Low | 85 Ų | 85 | 120.1 Ų | 120.1 | 52% | 0.515 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -65.3 | -37.4 | 177.4 | 176.5 | 0 | 0 | 0 | 0 | 112.3 | Q19 L21 A26 K27 | Q19-V23 VanDerWaalsContact O-CG2 3.32Å; Q19-V23 WeakPolarHBondContact O-CG2 3.32Å; Q19-V23 PolarHBondContact O-N 3.11Å; L21-V23 VanDerWaalsContact C-N 3.32Å; L21-V23 PolarHBondContact O-N 3.37Å; V23-A26 PolarHBondContact O-N 3.43Å; V23-K27 PolarHBondContact O-N 3.3Å |
| 24 | R | 56.3 | Low | 61.7 | Low | 182 Ų | 182 | 120.6 Ų | 120.6 | 69% | 0.687 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -67.5 | -38.2 | 178.7 | -76.6 | -176.1 | -178.6 | -174.1 | 1.6 | 112.7 | L20 L21 S22 K27 R28 | L20-R24 PolarHBondContact O-N 3.36Å; L21-R24 PolarHBondContact O-N 3.48Å; S22-R24 PolarHBondContact O-N 3.5Å; R24-K27 PolarHBondContact O-N 3.47Å; R24-R28 PolarHBondContact O-N 3.24Å |
| 25 | F | 56.5 | Low | 63.2 | Low | 139 Ų | 139 | 124.5 Ų | 124.5 | 61% | 0.61 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -67.1 | -39.6 | 177.4 | -81 | -78.4 | 0 | 0 | 0 | 112.2 | L21 S22 R28 R29 | L21-F25 HydrophobicContact CD2-CE2 4.47Å; L21-F25 VanDerWaalsContact O-CD2 3.3Å; L21-F25 WeakPolarHBondContact O-CD2 3.3Å; L21-F25 PolarHBondContact O-N 3.42Å; S22-F25 PolarHBondContact O-N 3.49Å; F25-R28 PolarHBondContact O-N 3.3Å; F25-R29 PolarHBondContact O-N 3.29Å |
| 26 | A | 58.3 | Low | 64.8 | Low | 70 Ų | 70 | 119.4 Ų | 119.4 | 58% | 0.579 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -61.3 | -44.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | S22 V23 R28 R29 G30 | S22-A26 PolarHBondContact O-N 3.32Å; V23-A26 PolarHBondContact O-N 3.43Å; A26-R28 VanDerWaalsContact C-N 3.33Å; A26-R28 PolarHBondContact O-N 3.31Å; A26-R29 PolarHBondContact O-N 3.49Å; A26-G30 PolarHBondContact O-N 3.34Å |
| 27 | K | 57.9 | Low | 66.2 | Low | 159 Ų | 159 | 119.5 Ų | 119.5 | 69% | 0.691 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -59.6 | -38.8 | 176.6 | -89.8 | -175.7 | 175 | 179.8 | 0 | 113 | V23 R24 G30 V31 | V23-K27 PolarHBondContact O-N 3.3Å; R24-K27 PolarHBondContact O-N 3.47Å; K27-G30 PolarHBondContact O-N 3.34Å; K27-V31 WeakPolarHBondContact O-CG2 3.42Å; K27-V31 PolarHBondContact O-N 3.34Å |
| 28 | R | 66.9 | Low | 67.9 | Low | 200 Ų | 200 | 124.8 Ų | 124.8 | 76% | 0.755 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -67.4 | -39 | 179.7 | -85.6 | -174.6 | 172.8 | -177.6 | -1.3 | 113.3 | R24 F25 A26 K32 | R24-R28 PolarHBondContact O-N 3.24Å; F25-R28 PolarHBondContact O-N 3.3Å; A26-R28 VanDerWaalsContact C-N 3.33Å; A26-R28 PolarHBondContact O-N 3.31Å; R28-K32 PolarHBondContact O-N 3.36Å |
| 29 | R | 63.9 | Low | 69.5 | Low | 216 Ų | 216 | 123 Ų | 123 | 82% | 0.815 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -63.4 | -41.2 | 177.3 | -85 | -173.3 | 159 | 178.6 | -4.8 | 111.8 | F25 A26 A33 | F25-R29 PolarHBondContact O-N 3.29Å; A26-R29 PolarHBondContact O-N 3.49Å; R29-A33 PolarHBondContact O-N 2.89Å |
| 30 | G | 77.2 | Confident | 70.9 | Confident | 42 Ų | 42 | 118.3 Ų | 118.3 | 43% | 0.433 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -63.6 | -47 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | A26 K27 K32 A33 L34 | A26-G30 PolarHBondContact O-N 3.34Å; K27-G30 PolarHBondContact O-N 3.34Å; G30-K32 PolarHBondContact O-N 3.28Å; G30-A33 PolarHBondContact O-N 3.44Å; G30-L34 PolarHBondContact O-N 3.42Å; G30-L34 VanDerWaalsContact O-N 3.1Å |
| 31 | V | 80 | Confident | 72.2 | Confident | 105 Ų | 105 | 120.9 Ų | 120.9 | 64% | 0.636 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -66 | -41.3 | -176.5 | 176.9 | 0 | 0 | 0 | 0 | 112.2 | K27 L34 R35 | K27-V31 WeakPolarHBondContact O-CG2 3.42Å; K27-V31 PolarHBondContact O-N 3.34Å; V31-L34 PolarHBondContact O-N 3.49Å; V31-R35 PolarHBondContact O-N 3Å |
| 32 | K | 79.3 | Confident | 73.2 | Confident | 157 Ų | 157 | 120.7 Ų | 120.7 | 68% | 0.683 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -64.5 | -42.4 | 179.2 | -170.1 | 178.6 | 179.1 | -178.1 | 0 | 111.5 | R28 G30 L34 R35 L36 | R28-K32 PolarHBondContact O-N 3.36Å; G30-K32 PolarHBondContact O-N 3.28Å; K32-L34 VanDerWaalsContact C-N 3.31Å; K32-L34 PolarHBondContact O-N 3.1Å; K32-R35 PolarHBondContact O-N 3.36Å; K32-L36 PolarHBondContact O-N 2.89Å; K32-L36 VanDerWaalsContact O-N 3.1Å |
| 33 | A | 81.6 | Confident | 73.7 | Confident | 64 Ų | 64 | 118.8 Ų | 118.8 | 53% | 0.529 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -61.7 | -40.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | R29 G30 L36 A37 | R29-A33 PolarHBondContact O-N 2.89Å; G30-A33 PolarHBondContact O-N 3.44Å; A33-L36 PolarHBondContact O-N 2.85Å; A33-A37 WeakPolarHBondContact O-CB 3.37Å; A33-A37 PolarHBondContact O-N 3.1Å |
| 34 | L | 83.2 | Confident | 74 | Confident | 129 Ų | 129 | 122.2 Ų | 122.2 | 68% | 0.675 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -67.3 | -39.1 | 178.9 | -136.3 | 139.3 | 0 | 0 | 0 | 112.4 | G30 V31 K32 R38 | G30-L34 PolarHBondContact O-N 3.42Å; G30-L34 VanDerWaalsContact O-N 3.1Å; V31-L34 PolarHBondContact O-N 3.49Å; K32-L34 VanDerWaalsContact C-N 3.31Å; K32-L34 PolarHBondContact O-N 3.1Å; L34-R38 WeakPolarHBondContact O-CB 3.31Å; L34-R38 PolarHBondContact O-N 2.96Å |
| 35 | R | 84.5 | Confident | 74.3 | Confident | 168 Ų | 168 | 121.1 Ų | 121.1 | 63% | 0.634 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -63.9 | -46.1 | 174.6 | -163 | -177.4 | 100.8 | -174.7 | -0.1 | 111.7 | V31 K32 A37 R38 E39 | V31-R35 PolarHBondContact O-N 3Å; K32-R35 PolarHBondContact O-N 3.36Å; R35-A37 PolarHBondContact O-N 3.37Å; R35-R38 WeakPolarHBondContact O-CB 3.39Å; R35-R38 PolarHBondContact O-N 3.46Å; R35-R38 VanDerWaalsContact O-N 3.15Å; R35-E39 IonicContact CZ-OE1 3.62Å; R35-E39 IonicContact NE-OE1 2.89Å; R35-E39 PolarHBondContact NE-OE1 2.99Å; R35-E39 IonicContact NH2-OE1 3.61Å; R35-E39 WeakPolarHBondContact O-CG 3.44Å; R35-E39 PolarHBondContact O-N 3.49Å |
| 36 | L | 83.9 | Confident | 74.3 | Confident | 106 Ų | 106 | 120.9 Ų | 120.9 | 56% | 0.555 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -66.9 | -37.7 | -179.1 | -147.6 | 153.8 | 0 | 0 | 0 | 111.4 | K32 A33 E39 A40 | K32-L36 PolarHBondContact O-N 2.89Å; K32-L36 VanDerWaalsContact O-N 3.1Å; A33-L36 PolarHBondContact O-N 2.85Å; L36-E39 PolarHBondContact O-N 2.96Å; L36-A40 VanDerWaalsContact O-CB 3.31Å; L36-A40 WeakPolarHBondContact O-CB 3.5Å; L36-A40 PolarHBondContact O-N 3.24Å |
| 37 | A | 84.1 | Confident | 74.1 | Confident | 53 Ų | 53 | 120.3 Ų | 120.3 | 44% | 0.438 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -65.3 | -36.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A33 R35 K41 | A33-A37 WeakPolarHBondContact O-CB 3.37Å; A33-A37 PolarHBondContact O-N 3.1Å; R35-A37 PolarHBondContact O-N 3.37Å; A37-K41 WeakPolarHBondContact O-CB 3.48Å; A37-K41 WeakPolarHBondContact O-CG 3.41Å; A37-K41 PolarHBondContact O-N 3.48Å |
| 38 | R | 86.4 | Confident | 73.9 | Confident | 184 Ų | 184 | 116 Ų | 116 | 69% | 0.694 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -68.9 | -44.7 | 175.4 | -171.7 | 176.4 | 179.3 | 161.7 | -0.6 | 111.6 | L34 R35 K41 L42 | L34-R38 WeakPolarHBondContact O-CB 3.31Å; L34-R38 PolarHBondContact O-N 2.96Å; R35-R38 WeakPolarHBondContact O-CB 3.39Å; R35-R38 PolarHBondContact O-N 3.46Å; R35-R38 VanDerWaalsContact O-N 3.15Å; R38-K41 PolarHBondContact O-N 3.15Å; R38-L42 WeakPolarHBondContact O-CB 3.33Å; R38-L42 PolarHBondContact O-N 2.87Å |
| 39 | E | 84.4 | Confident | 73.3 | Confident | 99 Ų | 99 | 112.8 Ų | 112.8 | 46% | 0.463 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -61.2 | -43.6 | 174.7 | -75.9 | 169.6 | -166.7 | 0 | 0 | 111 | R35 L36 L42 G43 | R35-E39 IonicContact CZ-OE1 3.62Å; R35-E39 IonicContact NE-OE1 2.89Å; R35-E39 PolarHBondContact NE-OE1 2.99Å; R35-E39 IonicContact NH2-OE1 3.61Å; R35-E39 WeakPolarHBondContact O-CG 3.44Å; R35-E39 PolarHBondContact O-N 3.49Å; L36-E39 PolarHBondContact O-N 2.96Å; E39-L42 PolarHBondContact O-N 2.79Å; E39-G43 PolarHBondContact O-N 3.31Å |
| 40 | A | 82.1 | Confident | 72.6 | Confident | 47 Ų | 47 | 108.6 Ų | 108.6 | 39% | 0.388 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.9 | -38.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L36 K44 | L36-A40 VanDerWaalsContact O-CB 3.31Å; L36-A40 WeakPolarHBondContact O-CB 3.5Å; L36-A40 PolarHBondContact O-N 3.24Å; A40-K44 WeakPolarHBondContact O-CB 3.43Å; A40-K44 VanDerWaalsContact O-CG 3.26Å; A40-K44 WeakPolarHBondContact O-CG 3.26Å; A40-K44 PolarHBondContact O-N 2.9Å |
| 41 | K | 81.5 | Confident | 71.1 | Confident | 162 Ų | 162 | 114.9 Ų | 114.9 | 70% | 0.704 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -65 | -40.5 | 172.3 | -80.3 | -175.3 | 179.1 | -175.6 | 0 | 111.8 | A37 R38 K45 | A37-K41 WeakPolarHBondContact O-CB 3.48Å; A37-K41 WeakPolarHBondContact O-CG 3.41Å; A37-K41 PolarHBondContact O-N 3.48Å; R38-K41 PolarHBondContact O-N 3.15Å; K41-K45 WeakPolarHBondContact O-CB 3.46Å; K41-K45 PolarHBondContact O-N 3.33Å |
| 42 | L | 75.5 | Confident | 69.5 | Low | 91 Ų | 91 | 113.5 Ų | 113.5 | 48% | 0.476 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -67.6 | -42.5 | 177.3 | -117.1 | 149.9 | 0 | 0 | 0 | 111.6 | R38 E39 K45 K46 | R38-L42 WeakPolarHBondContact O-CB 3.33Å; R38-L42 PolarHBondContact O-N 2.87Å; E39-L42 PolarHBondContact O-N 2.79Å; L42-K45 PolarHBondContact O-N 3.5Å; L42-K46 WeakPolarHBondContact O-CB 3.32Å; L42-K46 WeakPolarHBondContact O-CG 3.19Å; L42-K46 PolarHBondContact O-N 2.81Å |
| 43 | G | 66.4 | Low | 67.8 | Low | 37 Ų | 37 | 114.5 Ų | 114.5 | 38% | 0.381 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -63.8 | -44.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | E39 K45 K46 A47 | E39-G43 PolarHBondContact O-N 3.31Å; G43-K45 VanDerWaalsContact C-N 3.35Å; G43-K45 PolarHBondContact O-N 2.8Å; G43-K46 PolarHBondContact O-N 3.5Å; G43-A47 VanDerWaalsContact O-CB 3.32Å; G43-A47 WeakPolarHBondContact O-CB 3.07Å; G43-A47 PolarHBondContact O-N 3.3Å |
| 44 | K | 64.6 | Low | 65.9 | Low | 156 Ų | 156 | 119.5 Ų | 119.5 | 68% | 0.678 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -64.5 | -37.3 | 172.3 | -73.5 | 178.8 | -178 | -172.6 | 0 | 112.3 | A40 A47 A48 | A40-K44 WeakPolarHBondContact O-CB 3.43Å; A40-K44 VanDerWaalsContact O-CG 3.26Å; A40-K44 WeakPolarHBondContact O-CG 3.26Å; A40-K44 PolarHBondContact O-N 2.9Å; K44-A47 PolarHBondContact O-N 2.83Å; K44-A48 WeakPolarHBondContact O-CB 3.4Å; K44-A48 PolarHBondContact O-N 3.47Å |
| 45 | K | 61.7 | Low | 64 | Low | 160 Ų | 160 | 120.8 Ų | 120.8 | 70% | 0.696 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -69.7 | -35.9 | 176.4 | -163.8 | 175.6 | -176 | -177.8 | 0 | 111.4 | K41 L42 G43 L49 | K41-K45 WeakPolarHBondContact O-CB 3.46Å; K41-K45 PolarHBondContact O-N 3.33Å; L42-K45 PolarHBondContact O-N 3.5Å; G43-K45 VanDerWaalsContact C-N 3.35Å; G43-K45 PolarHBondContact O-N 2.8Å; K45-L49 WeakPolarHBondContact O-CB 3.49Å; K45-L49 PolarHBondContact O-N 3.06Å |
| 46 | K | 56.2 | Low | 62.4 | Low | 134 Ų | 134 | 119.2 Ų | 119.2 | 58% | 0.583 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -67.4 | -48.1 | 170.6 | -75.9 | -175.2 | 175.2 | -169.3 | 0 | 111.3 | L42 G43 A48 L49 D50 | L42-K46 WeakPolarHBondContact O-CB 3.32Å; L42-K46 WeakPolarHBondContact O-CG 3.19Å; L42-K46 PolarHBondContact O-N 2.81Å; G43-K46 PolarHBondContact O-N 3.5Å; K46-A48 VanDerWaalsContact C-N 3.34Å; K46-A48 PolarHBondContact O-N 3.34Å; K46-L49 CarbonylContact O-C 3.55Å; K46-L49 WeakPolarHBondContact O-CA 3.36Å; K46-L49 WeakPolarHBondContact O-CB 3.3Å; K46-L49 PolarHBondContact O-N 3.42Å; K46-L49 VanDerWaalsContact O-N 3.12Å; K46-D50 WeakPolarHBondContact O-CB 3.4Å; K46-D50 VanDerWaalsContact O-CG 3.28Å; K46-D50 PolarHBondContact O-N 3.47Å |
| 47 | A | 54.7 | Low | 61.1 | Low | 57 Ų | 57 | 120.7 Ų | 120.7 | 47% | 0.471 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -67.6 | -29.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | G43 K44 | G43-A47 VanDerWaalsContact O-CB 3.32Å; G43-A47 WeakPolarHBondContact O-CB 3.07Å; G43-A47 PolarHBondContact O-N 3.3Å; K44-A47 PolarHBondContact O-N 2.83Å |
| 48 | A | 54.7 | Low | 60.2 | Low | 70 Ų | 70 | 122.5 Ų | 122.5 | 58% | 0.579 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -79.4 | -29.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112 | K44 K46 K51 | K44-A48 WeakPolarHBondContact O-CB 3.4Å; K44-A48 PolarHBondContact O-N 3.47Å; K46-A48 VanDerWaalsContact C-N 3.34Å; K46-A48 PolarHBondContact O-N 3.34Å; A48-K51 PolarHBondContact O-N 3.43Å |
| 49 | L | 54.2 | Low | 59.5 | Low | 131 Ų | 131 | 113.9 Ų | 113.9 | 69% | 0.686 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -73.7 | -28.7 | 169.8 | -170.8 | 69.6 | 0 | 0 | 0 | 111.7 | K45 K46 K51 P52 | K45-L49 WeakPolarHBondContact O-CB 3.49Å; K45-L49 PolarHBondContact O-N 3.06Å; K46-L49 CarbonylContact O-C 3.55Å; K46-L49 WeakPolarHBondContact O-CA 3.36Å; K46-L49 WeakPolarHBondContact O-CB 3.3Å; K46-L49 PolarHBondContact O-N 3.42Å; K46-L49 VanDerWaalsContact O-N 3.12Å; L49-K51 PolarHBondContact O-N 3.28Å; L49-P52 WeakPolarHBondContact O-CD 3.09Å |
| 50 | D | 49.5 | Very low | 59.3 | Low | 128 Ų | 128 | 109.9 Ų | 109.9 | 68% | 0.684 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | 1 | 173.4 | -74.4 | -19.7 | 0 | 0 | 0 | 113.1 | K46 P52 | K46-D50 WeakPolarHBondContact O-CB 3.4Å; K46-D50 VanDerWaalsContact O-CG 3.28Å; K46-D50 PolarHBondContact O-N 3.47Å; D50-P52 VanDerWaalsContact O-CD 3.29Å; D50-P52 WeakPolarHBondContact O-CD 3.48Å |
| 51 | K | 45 | Very low | 58.9 | Low | 175 Ų | 175 | 107.6 Ų | 107.6 | 76% | 0.761 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -110 | 60.2 | 161.4 | -63.6 | -173.9 | -176.8 | -172.6 | 0 | 110.9 | A48 L49 | A48-K51 PolarHBondContact O-N 3.43Å; L49-K51 PolarHBondContact O-N 3.28Å |
| 52 | P | 45.5 | Very low | 58.6 | Low | 76 Ų | 76 | 104.4 Ų | 104.4 | 49% | 0.494 | 52% | 0.523 | S | S | . | . | trans | -75.7 | 128.1 | 157.1 | 33.7 | -21.2 | 0 | 0 | 0 | 104.5 | L49 D50 F54 | L49-P52 WeakPolarHBondContact O-CD 3.09Å; D50-P52 VanDerWaalsContact O-CD 3.29Å; D50-P52 WeakPolarHBondContact O-CD 3.48Å; P52-F54 PolarHBondContact O-N 2.76Å | ||
| 53 | F | 44.1 | Very low | 58.9 | Low | 177 Ų | 177 | 105.7 Ų | 105.7 | 78% | 0.776 | 52% | 0.522 | S | S | * | . | 29.6 | 33.3 | 73.7 | -82.1 | -114.8 | 0 | 0 | 0 | 113.5 | F55 | F53-F55 HydrophobicContact CB-CD2 4.48Å; F53-F55 AromaticContact CD1-CD2 3.27Å; F53-F55 HydrophobicContact CD1-CD2 3.27Å; F53-F55 AromaticContact CD1-CE2 3.11Å; F53-F55 HydrophobicContact CD1-CE2 3.11Å; F53-F55 HydrophobicContact CD1-CG 4.43Å; F53-F55 HydrophobicContact CD1-CZ 4.11Å; F53-F55 AromaticContact CE1-CD2 3.77Å; F53-F55 HydrophobicContact CE1-CD2 3.77Å; F53-F55 AromaticContact CE1-CE2 3.04Å; F53-F55 HydrophobicContact CE1-CE2 3.04Å; F53-F55 AromaticContact CE1-CZ 3.74Å; F53-F55 HydrophobicContact CE1-CZ 3.74Å; F53-F55 HydrophobicContact CG-CD2 4.13Å; F53-F55 HydrophobicContact CG-CE2 4.21Å; F53-F55 HydrophobicContact CZ-CE2 4.07Å; F53-F55 HydrophobicContact CZ-CZ 4.4Å; F53-F55 PolarHBondContact O-N 3.39Å | |||
| 54 | F | 41.7 | Very low | 59.4 | Low | 169 Ų | 169 | 109.9 Ų | 109.9 | 74% | 0.741 | 53% | 0.531 | S | S | * | . | trans | -64.8 | 51.5 | 147.4 | -144 | -84.4 | 0 | 0 | 0 | 106.8 | P52 L56 | P52-F54 PolarHBondContact O-N 2.76Å; F54-L56 PolarHBondContact O-N 2.75Å | ||
| 55 | F | 44.4 | Very low | 60.2 | Low | 156 Ų | 156 | 102.7 Ų | 102.7 | 68% | 0.684 | 50% | 0.5 | S | S | * | . | trans | -53.2 | 115 | 165.1 | -95.7 | -58.8 | 0 | 0 | 0 | 104.3 | F53 R57 | F53-F55 HydrophobicContact CB-CD2 4.48Å; F53-F55 AromaticContact CD1-CD2 3.27Å; F53-F55 HydrophobicContact CD1-CD2 3.27Å; F53-F55 AromaticContact CD1-CE2 3.11Å; F53-F55 HydrophobicContact CD1-CE2 3.11Å; F53-F55 HydrophobicContact CD1-CG 4.43Å; F53-F55 HydrophobicContact CD1-CZ 4.11Å; F53-F55 AromaticContact CE1-CD2 3.77Å; F53-F55 HydrophobicContact CE1-CD2 3.77Å; F53-F55 AromaticContact CE1-CE2 3.04Å; F53-F55 HydrophobicContact CE1-CE2 3.04Å; F53-F55 AromaticContact CE1-CZ 3.74Å; F53-F55 HydrophobicContact CE1-CZ 3.74Å; F53-F55 HydrophobicContact CG-CD2 4.13Å; F53-F55 HydrophobicContact CG-CE2 4.21Å; F53-F55 HydrophobicContact CZ-CE2 4.07Å; F53-F55 HydrophobicContact CZ-CZ 4.4Å; F53-F55 PolarHBondContact O-N 3.39Å; F55-R57 VanDerWaalsContact C-N 3.31Å; F55-R57 PolarHBondContact O-N 3.12Å | ||
| 56 | L | 50 | Low | 61.3 | Low | 135 Ų | 135 | 97.2 Ų | 97.2 | 71% | 0.707 | 49% | 0.485 | S | S | * | . | trans | -24.2 | 94.6 | 177.7 | -77.4 | 76.3 | 0 | 0 | 0 | 109.5 | F54 L58 | F54-L56 PolarHBondContact O-N 2.75Å; L56-L58 HydrophobicContact CB-CD1 4.12Å; L56-L58 PolarHBondContact O-N 2.89Å | ||
| 57 | R | 57.6 | Low | 62.5 | Low | 138 Ų | 138 | 92.1 Ų | 92.1 | 52% | 0.521 | 46% | 0.462 | S | S | . | . | trans | -68.2 | 90.6 | 153.3 | -171.5 | 170.2 | 175.2 | -165.3 | -12.8 | 101.9 | F55 S59 E247 | F55-R57 VanDerWaalsContact C-N 3.31Å; F55-R57 PolarHBondContact O-N 3.12Å; R57-S59 PolarHBondContact O-N 3.46Å; R57-E247 WeakPolarHBondContact CD-OE2 3.31Å; R57-E247 IonicContact CZ-OE1 2.85Å; R57-E247 IonicContact CZ-OE2 3.82Å; R57-E247 IonicContact NE-OE1 3.56Å; R57-E247 IonicContact NE-OE2 2.67Å; R57-E247 PolarHBondContact NE-OE2 3.5Å; R57-E247 IonicContact NH1-OE1 2.7Å; R57-E247 PolarHBondContact NH1-OE1 3.38Å; R57-E247 IonicContact NH1-OE2 2.93Å; R57-E247 PolarHBondContact NH1-OE2 3.37Å; R57-E247 IonicContact NH2-OE1 2.59Å; R57-E247 PolarHBondContact NH2-OE1 3.23Å; R57-E247 IonicContact NH2-OE2 3.87Å | ||
| 58 | L | 63.4 | Low | 63.9 | Low | 90 Ų | 90 | 92.5 Ų | 92.5 | 47% | 0.471 | 45% | 0.453 | S | S | . | . | trans | -48.1 | 134.5 | 175.4 | -89 | 94.4 | 0 | 0 | 0 | 105.9 | L56 I60 L62 | L56-L58 HydrophobicContact CB-CD1 4.12Å; L56-L58 PolarHBondContact O-N 2.89Å; L58-I60 PolarHBondContact O-N 3.25Å; L58-L62 HydrophobicContact CD2-CB 4.24Å | ||
| 59 | S | 73.4 | Confident | 65 | Low | 4 Ų | 4 | 95 Ų | 95 | 3% | 0.028 | 45% | 0.453 | C | S | . | . | trans | -48.1 | 143.9 | 173.3 | 38 | 0 | 0 | 0 | 0 | 108.9 | R57 A61 L62 R63 D246 | R57-S59 PolarHBondContact O-N 3.46Å; S59-A61 PolarHBondContact O-N 3.45Å; S59-L62 PolarHBondContact O-N 3.49Å; S59-L62 WeakPolarHBondContact OG-CB 3.5Å; S59-L62 WeakPolarHBondContact OG-CD1 3.33Å; S59-L62 WeakPolarHBondContact OG-CG 3.48Å; S59-R63 PolarHBondContact O-N 2.93Å; S59-D246 WeakPolarHBondContact CA-OD1 3.44Å; S59-D246 WeakPolarHBondContact CB-OD1 2.83Å; S59-D246 WeakPolarHBondContact CB-OD2 3.42Å | ||
| 60 | I | 78.9 | Confident | 66 | Low | 14 Ų | 14 | 93.8 Ų | 93.8 | 7% | 0.072 | 45% | 0.453 | C | S | . | . | G | 310 helix | trans | -55.7 | -36 | 176 | -59.9 | 175.4 | 0 | 0 | 0 | 108.7 | L58 L62 R63 K244 D246 V254 | L58-I60 PolarHBondContact O-N 3.25Å; I60-L62 PolarHBondContact O-N 2.89Å; I60-R63 WeakPolarHBondContact O-CB 3.46Å; I60-R63 PolarHBondContact O-N 3.33Å; I60-K244 HydrophobicContact CD1-CB 3.85Å; I60-K244 HydrophobicContact CD1-CD 4.35Å; I60-D246 PolarHBondContact N-OD1 2.78Å; I60-V254 HydrophobicContact CG2-CB 3.85Å; I60-V254 HydrophobicContact CG2-CG1 4.27Å; I60-V254 HydrophobicContact CG2-CG2 3.91Å |
| 61 | A | 74 | Confident | 67.5 | Low | 0 Ų | 0 | 91 Ų | 91 | 0% | 0 | 44% | 0.438 | C | S | . | . | G | 310 helix | trans | -60.7 | -37.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114 | S59 R63 R67 R121 W252 | S59-A61 PolarHBondContact O-N 3.45Å; A61-R63 VanDerWaalsContact C-N 3.33Å; A61-R67 HydrophobicContact CB-CB 4.22Å; A61-R67 PolarHBondContact O-N 3.18Å; A61-R121 PolarHBondContact O-NH2 3.21Å; A61-W252 HydrophobicContact CB-CE3 3.66Å; A61-W252 HydrophobicContact CB-CZ3 4.2Å |
| 62 | L | 75.6 | Confident | 69.3 | Low | 94 Ų | 94 | 88.9 Ų | 88.9 | 49% | 0.492 | 44% | 0.442 | S | S | . | . | G | 310 helix | trans | -84 | -2.5 | 179.3 | -68.9 | 175.8 | 0 | 0 | 0 | 114.1 | L58 S59 I60 | L58-L62 HydrophobicContact CD2-CB 4.24Å; S59-L62 PolarHBondContact O-N 3.49Å; S59-L62 WeakPolarHBondContact OG-CB 3.5Å; S59-L62 WeakPolarHBondContact OG-CD1 3.33Å; S59-L62 WeakPolarHBondContact OG-CG 3.48Å; I60-L62 PolarHBondContact O-N 2.89Å |
| 63 | R | 81.3 | Confident | 71.2 | Confident | 119 Ų | 119 | 92.9 Ų | 92.9 | 45% | 0.449 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -67.8 | 145 | 172.3 | -64.8 | 178.7 | -178.8 | -170.7 | -5.4 | 109.8 | S59 I60 A61 P65 A66 R121 | S59-R63 PolarHBondContact O-N 2.93Å; I60-R63 WeakPolarHBondContact O-CB 3.46Å; I60-R63 PolarHBondContact O-N 3.33Å; A61-R63 VanDerWaalsContact C-N 3.33Å; R63-P65 CarbonylContact O-C 3.54Å; R63-A66 WeakPolarHBondContact O-CA 3.3Å; R63-A66 PolarHBondContact O-N 3.23Å; R63-R121 PolarHBondContact O-NH1 2.98Å |
| 64 | H | 76.6 | Confident | 73.2 | Confident | 124 Ų | 124 | 86 Ų | 86 | 57% | 0.574 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -59.3 | 131.4 | 176.6 | -174.5 | -78.8 | 0 | 0 | 0 | 111.7 | A303 Y305 | H64-A303 PolarHBondContact CE1-O 2.89Å; H64-Y305 AromaticContact CE1-CD1 3.48Å; H64-Y305 VanDerWaalsContact CE1-CD1 3.48Å; H64-Y305 WeakPolarHBondContact CE1-CD1 3.43Å; H64-Y305 AromaticContact CE1-CE1 3.8Å; H64-Y305 AromaticContact NE2-CD1 3.73Å; H64-Y305 AromaticContact NE2-CE1 3.55Å |
| 65 | P | 81.3 | Confident | 75.3 | Confident | 6 Ų | 6 | 82.6 Ų | 82.6 | 4% | 0.039 | 41% | 0.414 | C | S | . | . | S | Bend | cis | -74.2 | 126.9 | -6.6 | 28.3 | -30.6 | 0 | 0 | 0 | 111 | R63 R121 V296 Y305 | R63-P65 CarbonylContact O-C 3.54Å; P65-R121 PolarHBondContact O-NH1 3.3Å; P65-R121 PolarHBondContact O-NH2 2.96Å; P65-V296 HydrophobicContact CB-CG1 4.4Å; P65-V296 HydrophobicContact CG-CB 4.26Å; P65-V296 HydrophobicContact CG-CG1 3.63Å; P65-Y305 HydrophobicContact CB-CD1 3.67Å; P65-Y305 HydrophobicContact CB-CD2 3.62Å; P65-Y305 HydrophobicContact CB-CE1 3.71Å; P65-Y305 HydrophobicContact CB-CE2 3.65Å; P65-Y305 HydrophobicContact CB-CG 3.6Å; P65-Y305 HydrophobicContact CG-CD1 4.45Å; P65-Y305 HydrophobicContact CG-CD2 4.12Å; P65-Y305 HydrophobicContact CG-CG 4.03Å |
| 66 | A | 84.6 | Confident | 77.2 | Confident | 45 Ų | 45 | 78.7 Ų | 78.7 | 37% | 0.372 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 143.2 | -177 | 0 | 0 | 0 | 0 | 0 | 110.4 | R63 F68 R294 | R63-A66 WeakPolarHBondContact O-CA 3.3Å; R63-A66 PolarHBondContact O-N 3.23Å; A66-F68 PolarHBondContact O-N 3.12Å; A66-R294 PolarHBondContact O-NH1 3.42Å; A66-R294 PolarHBondContact O-NH2 3.43Å |
| 67 | R | 83 | Confident | 78.8 | Confident | 26 Ų | 26 | 80 Ų | 80 | 10% | 0.098 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -52.9 | 133.1 | 173.1 | -170.8 | 179 | -171.9 | 122.8 | -13.6 | 108.9 | A61 D123 L124 D293 R294 | A61-R67 HydrophobicContact CB-CB 4.22Å; A61-R67 PolarHBondContact O-N 3.18Å; R67-D123 HydrophobicContact CG-CB 4.34Å; R67-L124 PolarHBondContact NH1-O 3.2Å; R67-L124 PolarHBondContact NH2-O 2.84Å; R67-D293 IonicContact CZ-OD2 3.97Å; R67-D293 IonicContact NE-OD2 2.69Å; R67-D293 IonicContact NH2-OD2 3.92Å; R67-D293 PolarHBondContact NH2-OD2 3.05Å; R67-R294 VanDerWaalsContact CA-NH2 3.32Å |
| 68 | F | 82.6 | Confident | 80.3 | Confident | 66 Ų | 66 | 75.9 Ų | 75.9 | 29% | 0.289 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -88.9 | 124.5 | 174.9 | 173 | -102 | 0 | 0 | 0 | 108.7 | A66 P70 L74 L89 P90 | A66-F68 PolarHBondContact O-N 3.12Å; F68-P70 HydrophobicContact CE1-CB 4.13Å; F68-L74 HydrophobicContact CE2-CD1 3.61Å; F68-L74 HydrophobicContact CZ-CD1 3.4Å; F68-L89 HydrophobicContact CE1-CD2 4.11Å; F68-L89 HydrophobicContact CZ-CD2 3.75Å; F68-P90 HydrophobicContact CB-CG 4.46Å; F68-P90 HydrophobicContact CD1-CG 4.02Å; F68-P90 HydrophobicContact CD2-CG 3.56Å; F68-P90 HydrophobicContact CE1-CG 4.09Å; F68-P90 HydrophobicContact CE2-CG 3.65Å; F68-P90 HydrophobicContact CG-CG 3.75Å; F68-P90 HydrophobicContact CZ-CG 3.92Å |
| 69 | E | 77.4 | Confident | 81.3 | Confident | 123 Ų | 123 | 80.4 Ų | 80.4 | 58% | 0.575 | 42% | 0.42 | S | S | * | . | P | Polyproline II helix | trans | -97.5 | 122.1 | 169.2 | -71.5 | -180 | -173.1 | 0 | 0 | 108.1 | N71 W252 | E69-N71 PolarHBondContact O-N 3.39Å; E69-N71 VanDerWaalsContact O-N 3.11Å; E69-W252 WeakPolarHBondContact OE1-CH2 3.37Å; E69-W252 VanDerWaalsContact OE1-CZ2 3.3Å; E69-W252 WeakPolarHBondContact OE1-CZ2 3.4Å |
| 70 | P | 75.3 | Confident | 82 | Confident | 104 Ų | 104 | 85.1 Ų | 85.1 | 68% | 0.675 | 45% | 0.445 | S | S | * | . | trans | -67.8 | 111 | 177.2 | 27 | -32 | 0 | 0 | 0 | 109.7 | F68 | F68-P70 HydrophobicContact CE1-CB 4.13Š| ||
| 71 | N | 82 | Confident | 82.6 | Confident | 71 Ų | 71 | 92 Ų | 92 | 38% | 0.38 | 48% | 0.482 | S | S | . | . | trans | -91 | 129 | 168.8 | 176.3 | 3.4 | 0 | 0 | 0 | 108.8 | E69 E73 L74 | E69-N71 PolarHBondContact O-N 3.39Å; E69-N71 VanDerWaalsContact O-N 3.11Å; N71-E73 PolarHBondContact ND2-OE2 3.19Å; N71-E73 PolarHBondContact O-N 3.36Å; N71-E73 VanDerWaalsContact O-N 3.11Å; N71-E73 PolarHBondContact OD1-N 3.1Å; N71-E73 VanDerWaalsContact OD1-N 3.08Å; N71-L74 HydrophobicContact CB-CD1 4.05Å; N71-L74 HydrophobicContact CB-CG 3.99Å; N71-L74 WeakPolarHBondContact O-CB 3.2Å; N71-L74 WeakPolarHBondContact O-CG 3.32Å; N71-L74 PolarHBondContact O-N 3.28Å; N71-L74 VanDerWaalsContact O-N 3.09Å | ||
| 72 | P | 82 | Confident | 83.4 | Confident | 129 Ų | 129 | 98.3 Ų | 98.3 | 84% | 0.838 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -18.5 | 177.2 | 24 | -36.7 | 0 | 0 | 0 | 114.7 | L74 | P72-L74 VanDerWaalsContact C-N 3.26Å; P72-L74 PolarHBondContact O-N 3.38Å |
| 73 | E | 85.9 | Confident | 84.1 | Confident | 160 Ų | 160 | 99.7 Ų | 99.7 | 75% | 0.748 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -9.9 | 177.3 | -60.8 | 175.6 | 159.3 | 0 | 0 | 113.7 | N71 | N71-E73 PolarHBondContact ND2-OE2 3.19Å; N71-E73 PolarHBondContact O-N 3.36Å; N71-E73 VanDerWaalsContact O-N 3.11Å; N71-E73 PolarHBondContact OD1-N 3.1Å; N71-E73 VanDerWaalsContact OD1-N 3.08Å |
| 74 | L | 86.3 | Confident | 84.5 | Confident | 33 Ų | 33 | 101.7 Ų | 101.7 | 17% | 0.173 | 53% | 0.528 | C | S | . | . | trans | -74.5 | 134.4 | -177.3 | -63.4 | 172.6 | 0 | 0 | 0 | 111.6 | F68 N71 P72 P86 L89 | F68-L74 HydrophobicContact CE2-CD1 3.61Å; F68-L74 HydrophobicContact CZ-CD1 3.4Å; N71-L74 HydrophobicContact CB-CD1 4.05Å; N71-L74 HydrophobicContact CB-CG 3.99Å; N71-L74 WeakPolarHBondContact O-CB 3.2Å; N71-L74 WeakPolarHBondContact O-CG 3.32Å; N71-L74 PolarHBondContact O-N 3.28Å; N71-L74 VanDerWaalsContact O-N 3.09Å; P72-L74 VanDerWaalsContact C-N 3.26Å; P72-L74 PolarHBondContact O-N 3.38Å; L74-P86 WeakPolarHBondContact CD2-O 2.93Å; L74-L89 HydrophobicContact CB-CD2 3.99Å; L74-L89 HydrophobicContact CB-CG 4.33Å; L74-L89 HydrophobicContact CD1-CD2 4.08Å | ||
| 75 | L | 86.7 | Confident | 85 | Confident | 98 Ų | 98 | 102.4 Ų | 102.4 | 51% | 0.513 | 53% | 0.532 | S | S | . | . | B | Isolated β-bridge | trans | -79.9 | 145.7 | 176.9 | -61.8 | 175.8 | 0 | 0 | 0 | 110.6 | S87 Y88 L89 | L75-S87 PolarHBondContact N-O 3.48Å; L75-Y88 HydrophobicContact CB-CD1 3.47Å; L75-Y88 VanDerWaalsContact CB-CD1 3.47Å; L75-Y88 HydrophobicContact CB-CE1 3.48Å; L75-Y88 VanDerWaalsContact CB-CE1 3.48Å; L75-Y88 HydrophobicContact CB-CG 4.38Å; L75-Y88 HydrophobicContact CD1-CE1 3.75Å; L75-Y88 HydrophobicContact CG-CE1 4.25Å; L75-Y88 CarbonylContact O-C 3.52Å; L75-Y88 VanDerWaalsContact O-CA 3.24Å; L75-Y88 WeakPolarHBondContact O-CA 3.27Å; L75-L89 PolarHBondContact O-N 2.98Å |
| 76 | A | 84 | Confident | 85.2 | Confident | 73 Ų | 73 | 105.8 Ų | 105.8 | 60% | 0.603 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -70.8 | -50.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 77 | E | 83.7 | Confident | 85.4 | Confident | 162 Ų | 162 | 106.1 Ų | 106.1 | 76% | 0.757 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -134.3 | 143.4 | -177.1 | -66.5 | -176 | 173.6 | 0 | 0 | 110.5 | F79 Y88 | E77-F79 PolarHBondContact O-N 2.97Å; E77-Y88 VanDerWaalsContact O-CE1 3.3Å; E77-Y88 WeakPolarHBondContact O-CE1 3.45Å |
| 78 | P | 87.3 | Confident | 85.7 | Confident | 53 Ų | 53 | 106.8 Ų | 106.8 | 34% | 0.344 | 56% | 0.556 | S | S | . | * | trans | -65.1 | 133.1 | 175.3 | 28.5 | -34.1 | 0 | 0 | 0 | 111 | W83 Y88 | P78-W83 HydrophobicContact CB-CB 3.85Å; P78-W83 HydrophobicContact CB-CD2 3.43Å; P78-W83 VanDerWaalsContact CB-CD2 3.43Å; P78-W83 HydrophobicContact CB-CE3 3.75Å; P78-W83 HydrophobicContact CB-CG 3.48Å; P78-W83 VanDerWaalsContact CB-CG 3.48Å; P78-W83 HydrophobicContact CB-CZ3 4.43Å; P78-W83 HydrophobicContact CG-CD2 3.85Å; P78-W83 HydrophobicContact CG-CE3 4.09Å; P78-W83 HydrophobicContact CG-CG 4.3Å; P78-W83 HydrophobicContact CG-CH2 4.33Å; P78-W83 HydrophobicContact CG-CZ2 4.11Å; P78-W83 HydrophobicContact CG-CZ3 4.31Å; P78-Y88 HydrophobicContact CB-CD1 4.4Å; P78-Y88 HydrophobicContact CB-CE1 4.15Å | ||
| 79 | F | 85.7 | Confident | 86 | Confident | 184 Ų | 184 | 107.2 Ų | 107.2 | 81% | 0.807 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -79 | -37.6 | 178.3 | 177.4 | -101.2 | 0 | 0 | 0 | 112.6 | E77 | E77-F79 PolarHBondContact O-N 2.97Š|
| 80 | D | 88.6 | Confident | 86.6 | Confident | 104 Ų | 104 | 103.5 Ų | 103.5 | 56% | 0.556 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -107.7 | 165.2 | -177.4 | -70.9 | -47.1 | 0 | 0 | 0 | 111.9 | V82 | D80-V82 PolarHBondContact O-N 2.95Š|
| 81 | D | 90.5 | Very high | 87.3 | Confident | 158 Ų | 158 | 106.5 Ų | 106.5 | 85% | 0.845 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -67.7 | -20.6 | 174.1 | -66.7 | -36.8 | 0 | 0 | 0 | 113.6 | W83 | D81-W83 VanDerWaalsContact C-CE3 3.5Å; D81-W83 VanDerWaalsContact O-CE3 3.32Å; D81-W83 WeakPolarHBondContact O-CZ3 2.98Å |
| 82 | V | 90.9 | Very high | 87.8 | Confident | 132 Ų | 132 | 106.8 Ų | 106.8 | 80% | 0.8 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -121.6 | 114.2 | 176.8 | -178.5 | 0 | 0 | 0 | 0 | 107.9 | D80 | D80-V82 PolarHBondContact O-N 2.95Š|
| 83 | W | 90.1 | Very high | 88.4 | Confident | 123 Ų | 123 | 102.8 Ų | 102.8 | 47% | 0.466 | 52% | 0.518 | S | S | . | . | trans | -136.4 | 160.6 | -178.2 | 65.9 | 93.9 | 0 | 0 | 0 | 111.1 | P78 D81 Y88 | P78-W83 HydrophobicContact CB-CB 3.85Å; P78-W83 HydrophobicContact CB-CD2 3.43Å; P78-W83 VanDerWaalsContact CB-CD2 3.43Å; P78-W83 HydrophobicContact CB-CE3 3.75Å; P78-W83 HydrophobicContact CB-CG 3.48Å; P78-W83 VanDerWaalsContact CB-CG 3.48Å; P78-W83 HydrophobicContact CB-CZ3 4.43Å; P78-W83 HydrophobicContact CG-CD2 3.85Å; P78-W83 HydrophobicContact CG-CE3 4.09Å; P78-W83 HydrophobicContact CG-CG 4.3Å; P78-W83 HydrophobicContact CG-CH2 4.33Å; P78-W83 HydrophobicContact CG-CZ2 4.11Å; P78-W83 HydrophobicContact CG-CZ3 4.31Å; D81-W83 VanDerWaalsContact C-CE3 3.5Å; D81-W83 VanDerWaalsContact O-CE3 3.32Å; D81-W83 WeakPolarHBondContact O-CZ3 2.98Å; W83-Y88 HydrophobicContact CB-CD2 4.4Å; W83-Y88 HydrophobicContact CB-CE2 3.73Å; W83-Y88 AromaticContact CD1-CD2 3.76Å; W83-Y88 AromaticContact CD1-CE2 3.97Å; W83-Y88 HydrophobicContact CG-CD2 4.4Å; W83-Y88 HydrophobicContact CG-CE2 4.18Å | ||
| 84 | Y | 89.8 | Confident | 88.9 | Confident | 161 Ų | 161 | 98.3 Ų | 98.3 | 63% | 0.631 | 50% | 0.502 | S | S | * | . | trans | -89.3 | 107 | 173.4 | -177.6 | -122 | 0 | 0 | 0 | 109.7 | P86 S87 Y88 | Y84-P86 HydrophobicContact CD1-CB 4.43Å; Y84-P86 HydrophobicContact CD1-CG 4.43Å; Y84-P86 HydrophobicContact CE1-CB 3.82Å; Y84-P86 HydrophobicContact CE1-CG 3.82Å; Y84-P86 HydrophobicContact CE2-CG 3.94Å; Y84-S87 WeakPolarHBondContact CD1-OG 3.44Å; Y84-S87 PolarHBondContact O-N 3.32Å; Y84-S87 VanDerWaalsContact O-N 3.12Å; Y84-Y88 VanDerWaalsContact O-CD2 3.23Å; Y84-Y88 WeakPolarHBondContact O-CD2 3.4Å | ||
| 85 | E | 86.3 | Confident | 89.2 | Confident | 140 Ų | 140 | 97 Ų | 97 | 65% | 0.654 | 50% | 0.495 | S | S | * | . | G | 310 helix | trans | -48.1 | -47.3 | -173.6 | 179.9 | -166.9 | -175.2 | 0 | 0 | 114.5 | S87 Y88 | E85-S87 PolarHBondContact O-N 2.94Å; E85-S87 VanDerWaalsContact O-N 3.09Å; E85-Y88 PolarHBondContact O-N 3.16Å; E85-Y88 VanDerWaalsContact O-N 3.1Å |
| 86 | P | 86.9 | Confident | 89.7 | Confident | 76 Ų | 76 | 94.3 Ų | 94.3 | 49% | 0.494 | 49% | 0.487 | S | S | . | . | G | 310 helix | trans | -67.1 | -11.8 | -176.6 | -23.2 | 36.9 | 0 | 0 | 0 | 115.7 | L74 Y84 Y88 | L74-P86 WeakPolarHBondContact CD2-O 2.93Å; Y84-P86 HydrophobicContact CD1-CB 4.43Å; Y84-P86 HydrophobicContact CD1-CG 4.43Å; Y84-P86 HydrophobicContact CE1-CB 3.82Å; Y84-P86 HydrophobicContact CE1-CG 3.82Å; Y84-P86 HydrophobicContact CE2-CG 3.94Å; P86-Y88 VanDerWaalsContact C-N 3.27Å |
| 87 | S | 88.3 | Confident | 90.2 | Very high | 52 Ų | 52 | 94 Ų | 94 | 36% | 0.364 | 47% | 0.473 | S | S | . | . | G | 310 helix | trans | -81.4 | -6.1 | 174.9 | -71 | 0 | 0 | 0 | 0 | 113.6 | L75 Y84 E85 | L75-S87 PolarHBondContact N-O 3.48Å; Y84-S87 WeakPolarHBondContact CD1-OG 3.44Å; Y84-S87 PolarHBondContact O-N 3.32Å; Y84-S87 VanDerWaalsContact O-N 3.12Å; E85-S87 PolarHBondContact O-N 2.94Å; E85-S87 VanDerWaalsContact O-N 3.09Å |
| 88 | Y | 90 | Very high | 90.8 | Very high | 40 Ų | 40 | 86.3 Ų | 86.3 | 16% | 0.157 | 44% | 0.437 | C | S | . | . | B | Isolated β-bridge | trans | -120.1 | 159.2 | -174.7 | -63.1 | -91.3 | 0 | 0 | 0 | 111.8 | L75 E77 P78 W83 Y84 E85 P86 | L75-Y88 HydrophobicContact CB-CD1 3.47Å; L75-Y88 VanDerWaalsContact CB-CD1 3.47Å; L75-Y88 HydrophobicContact CB-CE1 3.48Å; L75-Y88 VanDerWaalsContact CB-CE1 3.48Å; L75-Y88 HydrophobicContact CB-CG 4.38Å; L75-Y88 HydrophobicContact CD1-CE1 3.75Å; L75-Y88 HydrophobicContact CG-CE1 4.25Å; L75-Y88 CarbonylContact O-C 3.52Å; L75-Y88 VanDerWaalsContact O-CA 3.24Å; L75-Y88 WeakPolarHBondContact O-CA 3.27Å; E77-Y88 VanDerWaalsContact O-CE1 3.3Å; E77-Y88 WeakPolarHBondContact O-CE1 3.45Å; P78-Y88 HydrophobicContact CB-CD1 4.4Å; P78-Y88 HydrophobicContact CB-CE1 4.15Å; W83-Y88 HydrophobicContact CB-CD2 4.4Å; W83-Y88 HydrophobicContact CB-CE2 3.73Å; W83-Y88 AromaticContact CD1-CD2 3.76Å; W83-Y88 AromaticContact CD1-CE2 3.97Å; W83-Y88 HydrophobicContact CG-CD2 4.4Å; W83-Y88 HydrophobicContact CG-CE2 4.18Å; Y84-Y88 VanDerWaalsContact O-CD2 3.23Å; Y84-Y88 WeakPolarHBondContact O-CD2 3.4Å; E85-Y88 PolarHBondContact O-N 3.16Å; E85-Y88 VanDerWaalsContact O-N 3.1Å; P86-Y88 VanDerWaalsContact C-N 3.27Å |
| 89 | L | 89.3 | Confident | 91.2 | Very high | 76 Ų | 76 | 83.8 Ų | 83.8 | 40% | 0.398 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -62 | 143.4 | 167.6 | -67.2 | 178.6 | 0 | 0 | 0 | 110.3 | F68 L74 L75 R91 | F68-L89 HydrophobicContact CE1-CD2 4.11Å; F68-L89 HydrophobicContact CZ-CD2 3.75Å; L74-L89 HydrophobicContact CB-CD2 3.99Å; L74-L89 HydrophobicContact CB-CG 4.33Å; L74-L89 HydrophobicContact CD1-CD2 4.08Å; L75-L89 PolarHBondContact O-N 2.98Å; L89-R91 PolarHBondContact O-N 3.25Å |
| 90 | P | 88.2 | Confident | 91.6 | Very high | 45 Ų | 45 | 81.9 Ų | 81.9 | 29% | 0.292 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 131.6 | 174.4 | -24.3 | 32.5 | 0 | 0 | 0 | 110.6 | F68 V92 V307 | F68-P90 HydrophobicContact CB-CG 4.46Å; F68-P90 HydrophobicContact CD1-CG 4.02Å; F68-P90 HydrophobicContact CD2-CG 3.56Å; F68-P90 HydrophobicContact CE1-CG 4.09Å; F68-P90 HydrophobicContact CE2-CG 3.65Å; F68-P90 HydrophobicContact CG-CG 3.75Å; F68-P90 HydrophobicContact CZ-CG 3.92Å; P90-V92 PolarHBondContact O-N 2.97Å; P90-V307 HydrophobicContact CB-CG2 4.03Å |
| 91 | R | 90.4 | Very high | 92 | Very high | 167 Ų | 167 | 78.8 Ų | 78.8 | 63% | 0.63 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 126.7 | 175.3 | -176.4 | 167.4 | 174.9 | 178 | 5.4 | 109.9 | L89 Y93 | L89-R91 PolarHBondContact O-N 3.25Å; R91-Y93 HydrophobicContact CB-CE2 3.91Å; R91-Y93 WeakPolarHBondContact CD-OH 3.27Å; R91-Y93 HydrophobicContact CG-CD2 4.42Å; R91-Y93 HydrophobicContact CG-CE1 4.2Å; R91-Y93 HydrophobicContact CG-CE2 3.84Å; R91-Y93 VanDerWaalsContact O-CD2 3.31Å; R91-Y93 WeakPolarHBondContact O-CD2 3.29Å; R91-Y93 WeakPolarHBondContact O-CE2 3.18Å |
| 92 | V | 92.6 | Very high | 92.2 | Very high | 77 Ų | 77 | 71.3 Ų | 71.3 | 47% | 0.467 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 132.1 | 176.5 | -174.3 | 0 | 0 | 0 | 0 | 108.9 | P90 V307 N309 | P90-V92 PolarHBondContact O-N 2.97Å; V92-V307 HydrophobicContact CG2-CG1 4.49Å; V92-N309 HydrophobicContact CG1-CB 3.55Å |
| 93 | Y | 94.9 | Very high | 92.3 | Very high | 44 Ų | 44 | 69.7 Ų | 69.7 | 17% | 0.173 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 152.9 | -178.5 | -64.4 | -89.6 | 0 | 0 | 0 | 111.2 | R91 E97 L101 Y306 V307 I308 N309 | R91-Y93 HydrophobicContact CB-CE2 3.91Å; R91-Y93 WeakPolarHBondContact CD-OH 3.27Å; R91-Y93 HydrophobicContact CG-CD2 4.42Å; R91-Y93 HydrophobicContact CG-CE1 4.2Å; R91-Y93 HydrophobicContact CG-CE2 3.84Å; R91-Y93 VanDerWaalsContact O-CD2 3.31Å; R91-Y93 WeakPolarHBondContact O-CD2 3.29Å; R91-Y93 WeakPolarHBondContact O-CE2 3.18Å; Y93-E97 HydrophobicContact CD1-CB 4.31Å; Y93-L101 HydrophobicContact CD1-CD1 4.08Å; Y93-L101 HydrophobicContact CE1-CD1 3.76Å; Y93-Y306 HydrophobicContact CD2-CD1 4.08Å; Y93-Y306 HydrophobicContact CD2-CG 4.39Å; Y93-Y306 AromaticContact CE2-CD1 3.79Å; Y93-Y306 HydrophobicContact CE2-CD1 3.79Å; Y93-V307 PolarHBondContact N-O 3.43Å; Y93-I308 WeakPolarHBondContact O-CA 3.14Å; Y93-N309 PolarHBondContact O-N 2.67Å |
| 94 | T | 95.6 | Very high | 92.5 | Very high | 67 Ų | 67 | 69.3 Ų | 69.3 | 41% | 0.411 | 33% | 0.334 | S | S | . | . | trans | -73.4 | 158.8 | 162.5 | 62.4 | 0 | 0 | 0 | 0 | 110.3 | A96 E97 A98 | T94-A96 VanDerWaalsContact C-N 3.3Å; T94-A96 PolarHBondContact O-N 3.06Å; T94-E97 PolarHBondContact N-OE2 3.48Å; T94-E97 PolarHBondContact O-N 3.39Å; T94-E97 WeakPolarHBondContact OG1-CB 3.5Å; T94-E97 WeakPolarHBondContact OG1-CG 3.41Å; T94-E97 PolarHBondContact OG1-N 3.19Å; T94-E97 PolarHBondContact OG1-OE2 3.26Å; T94-A98 WeakPolarHBondContact O-CB 3.12Å; T94-A98 PolarHBondContact O-N 2.74Å | ||
| 95 | V | 94.3 | Very high | 92.6 | Very high | 4 Ų | 4 | 63.3 Ų | 63.3 | 2% | 0.024 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.2 | -43.9 | 177.7 | -177.4 | 0 | 0 | 0 | 0 | 110.5 | E97 A98 V99 E270 L273 I308 F313 | V95-E97 PolarHBondContact O-N 3.21Å; V95-A98 PolarHBondContact O-N 2.96Å; V95-V99 HydrophobicContact CG1-CG2 4.21Å; V95-V99 WeakPolarHBondContact O-CB 3.46Å; V95-V99 VanDerWaalsContact O-CG2 3.25Å; V95-V99 WeakPolarHBondContact O-CG2 3.36Å; V95-V99 PolarHBondContact O-N 3.28Å; V95-E270 HydrophobicContact CB-CG 3.66Å; V95-E270 HydrophobicContact CG1-CG 3.57Å; V95-E270 HydrophobicContact CG2-CG 4.11Å; V95-L273 HydrophobicContact CG2-CD2 3.41Å; V95-L273 VanDerWaalsContact CG2-CD2 3.41Å; V95-I308 HydrophobicContact CG2-CG2 3.79Å; V95-F313 HydrophobicContact CG2-CE2 3.87Å; V95-F313 HydrophobicContact CG2-CZ 3.71Å |
| 96 | A | 95.4 | Very high | 92.9 | Very high | 43 Ų | 43 | 56.7 Ų | 56.7 | 36% | 0.355 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -56.9 | -45.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | T94 R100 V266 | T94-A96 VanDerWaalsContact C-N 3.3Å; T94-A96 PolarHBondContact O-N 3.06Å; A96-R100 WeakPolarHBondContact O-CB 3.11Å; A96-R100 PolarHBondContact O-N 3.49Å; A96-V266 HydrophobicContact CB-CG1 3.84Å |
| 97 | E | 96 | Very high | 93.1 | Very high | 67 Ų | 67 | 57.6 Ų | 57.6 | 31% | 0.313 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -66.1 | -45.9 | 178.2 | -72.7 | 166.6 | 147 | 0 | 0 | 112 | Y93 T94 V95 V99 R100 L101 | Y93-E97 HydrophobicContact CD1-CB 4.31Å; T94-E97 PolarHBondContact N-OE2 3.48Å; T94-E97 PolarHBondContact O-N 3.39Å; T94-E97 WeakPolarHBondContact OG1-CB 3.5Å; T94-E97 WeakPolarHBondContact OG1-CG 3.41Å; T94-E97 PolarHBondContact OG1-N 3.19Å; T94-E97 PolarHBondContact OG1-OE2 3.26Å; V95-E97 PolarHBondContact O-N 3.21Å; E97-V99 VanDerWaalsContact C-N 3.34Å; E97-V99 PolarHBondContact O-N 3.36Å; E97-R100 WeakPolarHBondContact O-CB 3.37Å; E97-R100 PolarHBondContact O-N 3.5Å; E97-L101 WeakPolarHBondContact O-CG 3.29Å; E97-L101 PolarHBondContact O-N 3.26Å |
| 98 | A | 95.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.6 | -38 | -179 | 0 | 0 | 0 | 0 | 0 | 111.7 | T94 V95 L101 H102 M297 Y306 I308 | T94-A98 WeakPolarHBondContact O-CB 3.12Å; T94-A98 PolarHBondContact O-N 2.74Å; V95-A98 PolarHBondContact O-N 2.96Å; A98-L101 PolarHBondContact O-N 3.34Å; A98-H102 PolarHBondContact O-CD2 3.47Å; A98-H102 VanDerWaalsContact O-CD2 3.27Å; A98-H102 PolarHBondContact O-N 3.17Å; A98-M297 VanDerWaalsContact C-CE 3.4Å; A98-M297 HydrophobicContact CB-CE 3.28Å; A98-Y306 HydrophobicContact CB-CD2 4.06Å; A98-Y306 HydrophobicContact CB-CG 4.17Å; A98-I308 HydrophobicContact CB-CD1 3.49Å; A98-I308 VanDerWaalsContact CB-CD1 3.49Å |
| 99 | V | 95.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.7 | -42.2 | 171.7 | 171.5 | 0 | 0 | 0 | 0 | 111.1 | V95 E97 H102 R103 L262 V266 L269 M297 | V95-V99 HydrophobicContact CG1-CG2 4.21Å; V95-V99 WeakPolarHBondContact O-CB 3.46Å; V95-V99 VanDerWaalsContact O-CG2 3.25Å; V95-V99 WeakPolarHBondContact O-CG2 3.36Å; V95-V99 PolarHBondContact O-N 3.28Å; E97-V99 VanDerWaalsContact C-N 3.34Å; E97-V99 PolarHBondContact O-N 3.36Å; V99-H102 PolarHBondContact O-N 2.94Å; V99-R103 HydrophobicContact CG1-CG 4.5Å; V99-R103 WeakPolarHBondContact O-CG 3.39Å; V99-R103 PolarHBondContact O-N 2.7Å; V99-L262 HydrophobicContact CG1-CD1 4.22Å; V99-V266 HydrophobicContact CG1-CG2 4.21Å; V99-L269 HydrophobicContact CG1-CD1 4.17Å; V99-L269 HydrophobicContact CG2-CD1 3.77Å; V99-M297 HydrophobicContact CG2-CE 3.74Å; V99-M297 HydrophobicContact CG2-SD 4.38Å |
| 100 | R | 95.5 | Very high | 93.4 | Very high | 143 Ų | 143 | 64.9 Ų | 64.9 | 54% | 0.54 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59.6 | -46.6 | 176.4 | -177.1 | -175 | 69.8 | 179.3 | -1.6 | 111.7 | A96 E97 R103 Q104 | A96-R100 WeakPolarHBondContact O-CB 3.11Å; A96-R100 PolarHBondContact O-N 3.49Å; E97-R100 WeakPolarHBondContact O-CB 3.37Å; E97-R100 PolarHBondContact O-N 3.5Å; R100-R103 WeakPolarHBondContact O-CB 3.16Å; R100-R103 PolarHBondContact O-N 3.48Å; R100-Q104 WeakPolarHBondContact O-CG 3.4Å; R100-Q104 PolarHBondContact O-N 2.81Å; R100-Q104 VanDerWaalsContact O-N 3.1Å |
| 101 | L | 95.2 | Very high | 93.5 | Very high | 39 Ų | 39 | 66.1 Ų | 66.1 | 20% | 0.204 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.1 | -43.6 | 178.7 | -68.6 | 172.2 | 0 | 0 | 0 | 111.6 | Y93 E97 A98 R103 Q104 L105 Y306 | Y93-L101 HydrophobicContact CD1-CD1 4.08Å; Y93-L101 HydrophobicContact CE1-CD1 3.76Å; E97-L101 WeakPolarHBondContact O-CG 3.29Å; E97-L101 PolarHBondContact O-N 3.26Å; A98-L101 PolarHBondContact O-N 3.34Å; L101-R103 VanDerWaalsContact C-N 3.32Å; L101-R103 PolarHBondContact O-N 2.83Å; L101-Q104 WeakPolarHBondContact O-CB 3.5Å; L101-Q104 PolarHBondContact O-N 3.27Å; L101-L105 PolarHBondContact O-N 3.08Å; L101-Y306 HydrophobicContact CB-CD2 4.38Å; L101-Y306 HydrophobicContact CB-CE1 4.35Å; L101-Y306 HydrophobicContact CB-CE2 3.56Å; L101-Y306 HydrophobicContact CD1-CD1 4.1Å; L101-Y306 HydrophobicContact CD1-CE1 3.71Å; L101-Y306 HydrophobicContact CD1-CE2 4.26Å |
| 102 | H | 95.2 | Very high | 93.5 | Very high | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.5 | -37.2 | 174.1 | -77.3 | -47.1 | 0 | 0 | 0 | 112.9 | A98 V99 Q104 L105 Q106 L262 V299 Y306 | A98-H102 PolarHBondContact O-CD2 3.47Å; A98-H102 VanDerWaalsContact O-CD2 3.27Å; A98-H102 PolarHBondContact O-N 3.17Å; V99-H102 PolarHBondContact O-N 2.94Å; H102-Q104 VanDerWaalsContact C-N 3.33Å; H102-Q104 PolarHBondContact O-N 2.96Å; H102-L105 PolarHBondContact O-N 3.15Å; H102-Q106 WeakPolarHBondContact O-CB 3.46Å; H102-Q106 WeakPolarHBondContact O-CG 3.21Å; H102-Q106 PolarHBondContact O-N 3.34Å; H102-L262 HydrophobicContact CB-CD1 3.9Å; H102-L262 HydrophobicContact CB-CD2 4.5Å; H102-V299 HydrophobicContact CB-CG2 3.91Å; H102-Y306 AromaticContact CD2-CD2 3.75Å; H102-Y306 AromaticContact CD2-CE2 3.97Å; H102-Y306 AromaticContact CE1-CD2 3.5Å; H102-Y306 VanDerWaalsContact CE1-CD2 3.5Å; H102-Y306 WeakPolarHBondContact CE1-CD2 3.21Å; H102-Y306 AromaticContact CE1-CE2 3.43Å; H102-Y306 VanDerWaalsContact CE1-CE2 3.43Å; H102-Y306 WeakPolarHBondContact CE1-CE2 3.46Å; H102-Y306 AromaticContact CG-CE2 3.87Å; H102-Y306 AromaticContact ND1-CD2 3.99Å; H102-Y306 AromaticContact ND1-CE2 3.54Å; H102-Y306 AromaticContact NE2-CD2 3.36Å; H102-Y306 WeakPolarHBondContact NE2-CD2 3.34Å; H102-Y306 AromaticContact NE2-CE2 3.74Å |
| 103 | R | 94.2 | Very high | 93.3 | Very high | 99 Ų | 99 | 62.1 Ų | 62.1 | 37% | 0.374 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.6 | -38.3 | 174.3 | -77 | 175.2 | 175.4 | 170.5 | 0.6 | 112.8 | V99 R100 L101 Q106 H107 L262 M264 | V99-R103 HydrophobicContact CG1-CG 4.5Å; V99-R103 WeakPolarHBondContact O-CG 3.39Å; V99-R103 PolarHBondContact O-N 2.7Å; R100-R103 WeakPolarHBondContact O-CB 3.16Å; R100-R103 PolarHBondContact O-N 3.48Å; L101-R103 VanDerWaalsContact C-N 3.32Å; L101-R103 PolarHBondContact O-N 2.83Å; R103-Q106 PolarHBondContact O-N 3.15Å; R103-H107 PolarHBondContact O-N 3.32Å; R103-L262 HydrophobicContact CG-CD1 3.82Å; R103-L262 HydrophobicContact CG-CD2 4.06Å; R103-L262 HydrophobicContact CG-CG 3.71Å; R103-L262 PolarHBondContact NE-O 2.98Å; R103-L262 VanDerWaalsContact NE-O 3.09Å; R103-L262 PolarHBondContact NH2-O 3.02Å; R103-M264 PolarHBondContact NH2-O 3.33Å |
| 104 | Q | 93.4 | Very high | 93 | Very high | 114 Ų | 114 | 64.1 Ų | 64.1 | 53% | 0.533 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.4 | -42 | 174.4 | -69.7 | 173.2 | -14.4 | 0 | 0 | 111.4 | R100 L101 H102 Q106 H107 | R100-Q104 WeakPolarHBondContact O-CG 3.4Å; R100-Q104 PolarHBondContact O-N 2.81Å; R100-Q104 VanDerWaalsContact O-N 3.1Å; L101-Q104 WeakPolarHBondContact O-CB 3.5Å; L101-Q104 PolarHBondContact O-N 3.27Å; H102-Q104 VanDerWaalsContact C-N 3.33Å; H102-Q104 PolarHBondContact O-N 2.96Å; Q104-Q106 VanDerWaalsContact C-N 3.35Å; Q104-Q106 PolarHBondContact O-N 3.24Å; Q104-H107 WeakPolarHBondContact O-CB 3.48Å; Q104-H107 PolarHBondContact O-N 3.06Å |
| 105 | L | 92.7 | Very high | 92.7 | Very high | 35 Ų | 35 | 63.5 Ų | 63.5 | 18% | 0.183 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.2 | -37.7 | 176.8 | -174 | 66.8 | 0 | 0 | 0 | 112.6 | L101 H102 H107 M110 L111 E304 | L101-L105 PolarHBondContact O-N 3.08Å; H102-L105 PolarHBondContact O-N 3.15Å; L105-H107 PolarHBondContact O-N 3.23Å; L105-M110 WeakPolarHBondContact O-CB 3.4Å; L105-L111 HydrophobicContact CD1-CD1 4.15Å; L105-L111 HydrophobicContact CD2-CD1 4.07Å; L105-L111 HydrophobicContact CG-CD1 3.72Å; L105-L111 HydrophobicContact CG-CG 4.45Å; L105-L111 PolarHBondContact O-N 3.13Å; L105-E304 HydrophobicContact CD2-CB 3.95Å; L105-E304 HydrophobicContact CD2-CG 3.85Å |
| 106 | Q | 91.7 | Very high | 92.6 | Very high | 2 Ų | 2 | 63.4 Ų | 63.4 | 1% | 0.009 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 6.6 | 177.6 | -63.8 | -49.3 | -35.5 | 0 | 0 | 114.4 | H102 R103 Q104 N113 A116 L262 V299 P301 | H102-Q106 WeakPolarHBondContact O-CB 3.46Å; H102-Q106 WeakPolarHBondContact O-CG 3.21Å; H102-Q106 PolarHBondContact O-N 3.34Å; R103-Q106 PolarHBondContact O-N 3.15Å; Q104-Q106 VanDerWaalsContact C-N 3.35Å; Q104-Q106 PolarHBondContact O-N 3.24Å; Q106-N113 WeakPolarHBondContact CB-O 3.42Å; Q106-N113 WeakPolarHBondContact CG-O 3.34Å; Q106-N113 PolarHBondContact O-N 3.27Å; Q106-A116 HydrophobicContact CG-CB 4.33Å; Q106-L262 HydrophobicContact CB-CD2 3.69Å; Q106-L262 HydrophobicContact CG-CD2 3.39Å; Q106-V299 HydrophobicContact CG-CG1 4.12Å; Q106-P301 PolarHBondContact NE2-O 3.4Å |
| 107 | H | 91.4 | Very high | 92.5 | Very high | 95 Ų | 95 | 64.5 Ų | 64.5 | 44% | 0.44 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -54.4 | 146.2 | 178.6 | -170 | -95.8 | 0 | 0 | 0 | 110.9 | R103 Q104 L105 T109 M110 L111 N112 | R103-H107 PolarHBondContact O-N 3.32Å; Q104-H107 WeakPolarHBondContact O-CB 3.48Å; Q104-H107 PolarHBondContact O-N 3.06Å; L105-H107 PolarHBondContact O-N 3.23Å; H107-T109 PolarHBondContact CE1-OG1 2.8Å; H107-T109 WeakPolarHBondContact ND1-CB 3.44Å; H107-T109 PolarHBondContact ND1-N 2.87Å; H107-T109 PolarHBondContact ND1-OG1 3.37Å; H107-T109 PolarHBondContact O-N 2.99Å; H107-T109 VanDerWaalsContact O-N 3.08Å; H107-M110 HydrophobicContact CB-CG 4.47Å; H107-M110 CarbonylContact O-C 3.5Å; H107-M110 WeakPolarHBondContact O-CA 3.39Å; H107-M110 PolarHBondContact O-N 2.82Å; H107-L111 PolarHBondContact O-N 3.18Å; H107-N112 PolarHBondContact O-N 3.1Å; H107-N112 VanDerWaalsContact O-N 3.1Å |
| 108 | P | 91 | Very high | 92.4 | Very high | 82 Ų | 82 | 61.4 Ų | 61.4 | 53% | 0.532 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -30 | 178.5 | -31.4 | 37.7 | 0 | 0 | 0 | 115.5 | M110 | P108-M110 VanDerWaalsContact C-N 3.29Š|
| 109 | T | 92.4 | Very high | 92.3 | Very high | 115 Ų | 115 | 66.5 Ų | 66.5 | 71% | 0.706 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -18.2 | 175.5 | -43.6 | 0 | 0 | 0 | 0 | 113.5 | H107 | H107-T109 PolarHBondContact CE1-OG1 2.8Å; H107-T109 WeakPolarHBondContact ND1-CB 3.44Å; H107-T109 PolarHBondContact ND1-N 2.87Å; H107-T109 PolarHBondContact ND1-OG1 3.37Å; H107-T109 PolarHBondContact O-N 2.99Å; H107-T109 VanDerWaalsContact O-N 3.08Å |
| 110 | M | 90.3 | Very high | 92.3 | Very high | 124 Ų | 124 | 66.6 Ų | 66.6 | 61% | 0.611 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.3 | -105.7 | -177.8 | -63.7 | -62.3 | -70.6 | 0 | 0 | 109.7 | L105 H107 P108 | L105-M110 WeakPolarHBondContact O-CB 3.4Å; H107-M110 HydrophobicContact CB-CG 4.47Å; H107-M110 CarbonylContact O-C 3.5Å; H107-M110 WeakPolarHBondContact O-CA 3.39Å; H107-M110 PolarHBondContact O-N 2.82Å; P108-M110 VanDerWaalsContact C-N 3.29Å |
| 111 | L | 89.7 | Confident | 92.2 | Very high | 70 Ų | 70 | 60.1 Ų | 60.1 | 37% | 0.366 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -9.9 | -176.6 | -60.2 | -179.6 | 0 | 0 | 0 | 114.1 | L105 H107 N113 P301 | L105-L111 HydrophobicContact CD1-CD1 4.15Å; L105-L111 HydrophobicContact CD2-CD1 4.07Å; L105-L111 HydrophobicContact CG-CD1 3.72Å; L105-L111 HydrophobicContact CG-CG 4.45Å; L105-L111 PolarHBondContact O-N 3.13Å; H107-L111 PolarHBondContact O-N 3.18Å; L111-N113 PolarHBondContact O-N 2.62Å; L111-P301 HydrophobicContact CB-CG 4.32Å; L111-P301 WeakPolarHBondContact CD1-O 3.35Å |
| 112 | N | 90.8 | Very high | 92 | Very high | 110 Ų | 110 | 58.2 Ų | 58.2 | 59% | 0.588 | 30% | 0.302 | S | S | * | . | trans | 52.3 | 49.9 | 173.8 | -166.2 | 21 | 0 | 0 | 0 | 114.8 | H107 | H107-N112 PolarHBondContact O-N 3.1Å; H107-N112 VanDerWaalsContact O-N 3.1Å | ||
| 113 | N | 89.9 | Confident | 91.8 | Very high | 50 Ų | 50 | 58.2 Ų | 58.2 | 27% | 0.267 | 30% | 0.302 | S | S | . | . | trans | -141.6 | 77.8 | 174.9 | -169.2 | -4.2 | 0 | 0 | 0 | 112.3 | Q106 L111 S115 A116 P301 | Q106-N113 WeakPolarHBondContact CB-O 3.42Å; Q106-N113 WeakPolarHBondContact CG-O 3.34Å; Q106-N113 PolarHBondContact O-N 3.27Å; L111-N113 PolarHBondContact O-N 2.62Å; N113-S115 PolarHBondContact O-N 2.81Å; N113-S115 PolarHBondContact OD1-N 2.83Å; N113-A116 HydrophobicContact CB-CB 4.34Å; N113-A116 WeakPolarHBondContact O-CB 3.04Å; N113-A116 PolarHBondContact O-N 2.93Å; N113-A116 PolarHBondContact OD1-N 3.1Å; N113-P301 HydrophobicContact CB-CG 4.48Å; N113-P301 WeakPolarHBondContact ND2-CD 3.49Å | ||
| 114 | S | 87.9 | Confident | 91.6 | Very high | 86 Ų | 86 | 53.5 Ų | 53.5 | 60% | 0.601 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -20 | -179.9 | 56.3 | 0 | 0 | 0 | 0 | 114.5 | ||
| 115 | S | 88.9 | Confident | 91.2 | Very high | 54 Ų | 54 | 49.5 Ų | 49.5 | 38% | 0.378 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | 22.9 | -178.8 | 65.5 | 0 | 0 | 0 | 0 | 113.3 | N113 | N113-S115 PolarHBondContact O-N 2.81Å; N113-S115 PolarHBondContact OD1-N 2.83Å |
| 116 | A | 92.5 | Very high | 90.5 | Very high | 2 Ų | 2 | 48.4 Ų | 48.4 | 2% | 0.017 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 150 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q106 N113 K261 L262 V299 | Q106-A116 HydrophobicContact CG-CB 4.33Å; N113-A116 HydrophobicContact CB-CB 4.34Å; N113-A116 WeakPolarHBondContact O-CB 3.04Å; N113-A116 PolarHBondContact O-N 2.93Å; N113-A116 PolarHBondContact OD1-N 3.1Å; A116-K261 WeakPolarHBondContact O-CA 3.48Å; A116-L262 PolarHBondContact O-N 3.07Å; A116-V299 HydrophobicContact CB-CG1 3.39Å |
| 117 | F | 93.1 | Very high | 89.5 | Confident | 67 Ų | 67 | 52.7 Ų | 52.7 | 29% | 0.294 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 127.6 | 177.5 | -68.3 | -66.5 | 0 | 0 | 0 | 110.9 | F144 A145 V258 K261 | F117-F144 HydrophobicContact CD1-CE2 4.38Å; F117-A145 WeakPolarHBondContact CE1-O 3.46Å; F117-V258 HydrophobicContact CB-CG1 3.88Å; F117-V258 HydrophobicContact CD1-CG1 3.89Å; F117-V258 HydrophobicContact CG-CG1 4.23Å; F117-K261 HydrophobicContact CD1-CG 4Å; F117-K261 HydrophobicContact CE1-CG 3.98Å |
| 118 | V | 94.2 | Very high | 88.1 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 117.9 | 173.5 | -174.1 | 0 | 0 | 0 | 0 | 108.3 | V258 I259 G260 L262 M297 V299 | V118-V258 CarbonylContact O-C 3.52Å; V118-V258 WeakPolarHBondContact O-CA 3.42Å; V118-V258 WeakPolarHBondContact O-CG1 3.12Å; V118-I259 HydrophobicContact CB-CD1 4.5Å; V118-I259 HydrophobicContact CB-CG1 3.98Å; V118-I259 HydrophobicContact CG1-CD1 3.75Å; V118-I259 HydrophobicContact CG1-CG1 3.72Å; V118-I259 PolarHBondContact O-N 3.08Å; V118-G260 PolarHBondContact N-O 3.11Å; V118-L262 HydrophobicContact CG2-CB 4.29Å; V118-L262 HydrophobicContact CG2-CD1 4.19Å; V118-M297 HydrophobicContact CG1-CG 3.57Å; V118-M297 HydrophobicContact CG1-SD 3.44Å; V118-M297 WeakPolarHBondContact CG1-SD 3.35Å; V118-V299 HydrophobicContact CG1-CG2 4.46Å; V118-V299 HydrophobicContact CG2-CG2 4.17Å |
| 119 | R | 93.7 | Very high | 86.5 | Confident | 108 Ų | 108 | 55.9 Ų | 55.9 | 41% | 0.408 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 141.2 | 177.1 | -63.3 | -178.1 | -177.3 | -120.9 | 0.7 | 109.7 | S257 V258 M297 T298 | R119-S257 CarbonylContact C-O 3.57Å; R119-S257 VanDerWaalsContact CA-O 3.28Å; R119-S257 WeakPolarHBondContact CA-O 3.29Å; R119-V258 HydrophobicContact CG-CG2 4.19Å; R119-M297 WeakPolarHBondContact O-CA 3.23Å; R119-T298 WeakPolarHBondContact CB-O 3.48Å; R119-T298 PolarHBondContact N-O 3.29Å; R119-T298 PolarHBondContact O-N 3.35Å |
| 120 | L | 94.3 | Very high | 85 | Confident | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 126.4 | 168.2 | -164 | 79.2 | 0 | 0 | 0 | 109.5 | L122 E256 S257 I259 L273 Y276 I277 A295 V296 M297 | L120-L122 HydrophobicContact CD2-CD2 3.59Å; L120-L122 HydrophobicContact CD2-CG 4.04Å; L120-L122 HydrophobicContact CG-CD2 4.19Å; L120-E256 WeakPolarHBondContact O-CA 3.43Å; L120-S257 PolarHBondContact N-O 3.46Å; L120-S257 PolarHBondContact O-N 3.42Å; L120-I259 HydrophobicContact CB-CG2 3.74Å; L120-L273 HydrophobicContact CB-CD1 4.46Å; L120-L273 HydrophobicContact CD1-CD1 3.54Å; L120-L273 HydrophobicContact CD2-CD1 3.3Å; L120-L273 HydrophobicContact CG-CD1 3.94Å; L120-Y276 HydrophobicContact CB-CD1 4.38Å; L120-Y276 HydrophobicContact CB-CE1 4.19Å; L120-Y276 HydrophobicContact CD2-CD1 3.44Å; L120-Y276 VanDerWaalsContact CD2-CD1 3.44Å; L120-Y276 HydrophobicContact CD2-CE1 3.64Å; L120-Y276 HydrophobicContact CG-CD1 4.48Å; L120-Y276 HydrophobicContact CG-CE1 4.35Å; L120-I277 HydrophobicContact CD2-CG1 4.46Å; L120-A295 HydrophobicContact CD1-CB 4.36Å; L120-V296 WeakPolarHBondContact CA-O 3.41Å; L120-M297 HydrophobicContact CD1-CB 4.34Å |
| 121 | R | 93.2 | Very high | 83.6 | Confident | 7 Ų | 7 | 60.4 Ų | 60.4 | 3% | 0.026 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 125.7 | 168.1 | 177.1 | 173.4 | 163.7 | 177.4 | -8.2 | 108.7 | A61 R63 P65 D123 V254 S255 E256 V296 | A61-R121 PolarHBondContact O-NH2 3.21Å; R63-R121 PolarHBondContact O-NH1 2.98Å; P65-R121 PolarHBondContact O-NH1 3.3Å; P65-R121 PolarHBondContact O-NH2 2.96Å; R121-D123 IonicContact CZ-OD1 3.56Å; R121-D123 IonicContact NE-OD1 3.06Å; R121-D123 PolarHBondContact NE-OD1 2.66Å; R121-D123 IonicContact NH2-OD1 3.16Å; R121-D123 PolarHBondContact NH2-OD1 2.8Å; R121-D123 VanDerWaalsContact NH2-OD1 3.16Å; R121-V254 HydrophobicContact CG-CG1 3.81Å; R121-S255 WeakPolarHBondContact CA-O 3.43Å; R121-E256 HydrophobicContact CB-CG 4.01Å; R121-E256 HydrophobicContact CG-CG 3.89Å; R121-V296 HydrophobicContact CB-CB 4.49Å; R121-V296 PolarHBondContact N-O 3.31Å; R121-V296 PolarHBondContact O-N 3.28Å |
| 122 | L | 92.6 | Very high | 82.6 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 123.9 | 170.7 | -60 | 177.6 | 0 | 0 | 0 | 108.4 | L120 L124 V254 S255 Y276 V280 I292 R294 A295 | L120-L122 HydrophobicContact CD2-CD2 3.59Å; L120-L122 HydrophobicContact CD2-CG 4.04Å; L120-L122 HydrophobicContact CG-CD2 4.19Å; L122-L124 HydrophobicContact CB-CD2 4.02Å; L122-L124 HydrophobicContact CB-CG 4.33Å; L122-V254 WeakPolarHBondContact O-CA 3.03Å; L122-S255 PolarHBondContact N-O 2.89Å; L122-S255 PolarHBondContact O-N 3.46Å; L122-Y276 HydrophobicContact CD1-CD1 4.04Å; L122-Y276 HydrophobicContact CD1-CE1 3.53Å; L122-Y276 HydrophobicContact CG-CE1 3.83Å; L122-V280 HydrophobicContact CD1-CB 3.93Å; L122-V280 HydrophobicContact CD1-CG1 3.83Å; L122-V280 HydrophobicContact CD1-CG2 3.91Å; L122-I292 HydrophobicContact CD2-CG2 4.17Å; L122-R294 WeakPolarHBondContact CA-O 3.4Å; L122-A295 HydrophobicContact CD2-CB 3.53Å |
| 123 | D | 90.9 | Very high | 81.6 | Confident | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 123.8 | 166.4 | -61 | -43.4 | 0 | 0 | 0 | 107.9 | R67 R121 D293 R294 | R67-D123 HydrophobicContact CG-CB 4.34Å; R121-D123 IonicContact CZ-OD1 3.56Å; R121-D123 IonicContact NE-OD1 3.06Å; R121-D123 PolarHBondContact NE-OD1 2.66Å; R121-D123 IonicContact NH2-OD1 3.16Å; R121-D123 PolarHBondContact NH2-OD1 2.8Å; R121-D123 VanDerWaalsContact NH2-OD1 3.16Å; D123-D293 PolarHBondContact O-N 3.02Å; D123-R294 HydrophobicContact CB-CB 4.26Å; D123-R294 PolarHBondContact N-O 2.67Å; D123-R294 PolarHBondContact O-N 2.85Å; D123-R294 IonicContact OD2-CZ 3.2Å; D123-R294 IonicContact OD2-NE 2.9Å; D123-R294 PolarHBondContact OD2-NE 2.97Å; D123-R294 IonicContact OD2-NH2 2.94Å; D123-R294 PolarHBondContact OD2-NH2 3.36Å |
| 124 | L | 88.6 | Confident | 81 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 146.2 | -170.4 | -56.7 | 171.3 | 0 | 0 | 0 | 110.2 | R67 L122 M126 L243 G253 V280 F291 I292 | R67-L124 PolarHBondContact NH1-O 3.2Å; R67-L124 PolarHBondContact NH2-O 2.84Å; L122-L124 HydrophobicContact CB-CD2 4.02Å; L122-L124 HydrophobicContact CB-CG 4.33Å; L124-M126 HydrophobicContact CB-SD 4.43Å; L124-L243 HydrophobicContact CD1-CD1 3.05Å; L124-L243 HydrophobicContact CG-CD1 4.46Å; L124-G253 PolarHBondContact N-O 3.2Å; L124-G253 PolarHBondContact O-N 3Å; L124-V280 HydrophobicContact CD1-CG1 3.98Å; L124-V280 HydrophobicContact CD2-CG1 3.85Å; L124-F291 VanDerWaalsContact CA-O 3.29Å; L124-F291 WeakPolarHBondContact CA-O 3.32Å; L124-F291 HydrophobicContact CD1-CE1 4.27Å; L124-F291 HydrophobicContact CD1-CZ 4.32Å; L124-F291 HydrophobicContact CD2-CD1 4.18Å; L124-F291 HydrophobicContact CD2-CE1 4.04Å; L124-I292 HydrophobicContact CD2-CB 4.09Å; L124-I292 HydrophobicContact CD2-CG1 3.65Å; L124-I292 HydrophobicContact CD2-CG2 4.13Å |
| 125 | N | 84.9 | Confident | 80.6 | Confident | 29 Ų | 29 | 56.9 Ų | 56.9 | 16% | 0.155 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 100.9 | 169.4 | -167.7 | 2.1 | 0 | 0 | 0 | 108.3 | Q127 T251 F291 | N125-Q127 VanDerWaalsContact OD1-CG 3.3Å; N125-Q127 WeakPolarHBondContact OD1-CG 3.38Å; N125-T251 WeakPolarHBondContact OD1-CG2 3.15Å; N125-T251 PolarHBondContact OD1-O 2.91Å; N125-F291 PolarHBondContact N-O 2.75Å |
| 126 | M | 77.6 | Confident | 80.2 | Confident | 12 Ų | 12 | 54.6 Ų | 54.6 | 6% | 0.059 | 26% | 0.255 | C | S | . | . | trans | -82 | -25.9 | -174.2 | -68.9 | -65 | -57.3 | 0 | 0 | 112 | L124 L128 L243 Q245 T251 F291 | L124-M126 HydrophobicContact CB-SD 4.43Å; M126-L128 HydrophobicContact CB-CB 4.39Å; M126-L128 HydrophobicContact CE-CD2 4.35Å; M126-L128 WeakPolarHBondContact O-CA 3.34Å; M126-L128 WeakPolarHBondContact O-CB 3.3Å; M126-L128 PolarHBondContact O-N 3.11Å; M126-L243 HydrophobicContact CE-CD2 3.66Å; M126-L243 HydrophobicContact SD-CD1 3.96Å; M126-L243 HydrophobicContact SD-CD2 3.92Å; M126-L243 HydrophobicContact SD-CG 4.33Å; M126-Q245 HydrophobicContact CG-CG 4.08Å; M126-T251 PolarHBondContact N-O 2.9Å; M126-F291 HydrophobicContact CE-CE2 4.27Å; M126-F291 HydrophobicContact SD-CE2 3.47Å; M126-F291 WeakPolarHBondContact SD-CE2 3.38Å; M126-F291 HydrophobicContact SD-CZ 3.67Å | ||
| 127 | Q | 71.3 | Confident | 79.9 | Confident | 92 Ų | 92 | 54.8 Ų | 54.8 | 43% | 0.43 | 26% | 0.255 | S | S | . | . | trans | 31.9 | 38.8 | -174.4 | -66 | -172.4 | -20.9 | 0 | 0 | 113.9 | N125 T251 K288 | N125-Q127 VanDerWaalsContact OD1-CG 3.3Å; N125-Q127 WeakPolarHBondContact OD1-CG 3.38Å; Q127-T251 HydrophobicContact CG-CG2 4.24Å; Q127-T251 PolarHBondContact N-O 3.33Å; Q127-K288 PolarHBondContact O-NZ 3.33Å | ||
| 128 | L | 63.4 | Low | 79.6 | Confident | 42 Ų | 42 | 52 Ų | 52 | 22% | 0.22 | 24% | 0.244 | C | C | . | . | trans | -117.1 | 127 | -168.1 | -176.7 | 60.7 | 0 | 0 | 0 | 108.3 | M126 R130 V132 | M126-L128 HydrophobicContact CB-CB 4.39Å; M126-L128 HydrophobicContact CE-CD2 4.35Å; M126-L128 WeakPolarHBondContact O-CA 3.34Å; M126-L128 WeakPolarHBondContact O-CB 3.3Å; M126-L128 PolarHBondContact O-N 3.11Å; L128-R130 HydrophobicContact CG-CB 4.47Å; L128-R130 WeakPolarHBondContact CG-O 3.47Å; L128-R130 PolarHBondContact O-N 3.38Å; L128-V132 HydrophobicContact CD2-CB 4.16Å; L128-V132 HydrophobicContact CD2-CG2 3.25Å; L128-V132 HydrophobicContact CG-CG2 4.47Å | ||
| 129 | E | 56.5 | Low | 79.3 | Confident | 202 Ų | 202 | 54 Ų | 54 | 94% | 0.944 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -63.8 | -30.5 | 177.9 | -60.3 | -174.5 | 161.5 | 0 | 0 | 112.1 | ||
| 130 | R | 59.9 | Low | 79.1 | Confident | 183 Ų | 183 | 49.3 Ų | 49.3 | 69% | 0.691 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -95.6 | 140.2 | -175.2 | -159 | 174.7 | 79.2 | -156.4 | -2.3 | 112.6 | L128 V132 Q245 | L128-R130 HydrophobicContact CG-CB 4.47Å; L128-R130 WeakPolarHBondContact CG-O 3.47Å; L128-R130 PolarHBondContact O-N 3.38Å; R130-V132 PolarHBondContact O-N 3.02Å; R130-V132 VanDerWaalsContact O-N 3.15Å; R130-Q245 PolarHBondContact O-NE2 3.28Å; R130-Q245 VanDerWaalsContact O-NE2 3.15Å; R130-Q245 PolarHBondContact O-OE1 3.18Å |
| 131 | K | 61.7 | Low | 78.9 | Confident | 151 Ų | 151 | 52.6 Ų | 52.6 | 66% | 0.657 | 26% | 0.264 | S | S | * | . | trans | -62.6 | 112.5 | 167 | -72 | -175.9 | -180 | -176.8 | 0 | 111.6 | ||||
| 132 | V | 68.7 | Low | 78.9 | Confident | 36 Ų | 36 | 56.8 Ų | 56.8 | 22% | 0.218 | 28% | 0.28 | C | S | . | . | trans | -119.4 | 101.1 | 175.4 | -170.4 | 0 | 0 | 0 | 0 | 109.1 | L128 R130 | L128-V132 HydrophobicContact CD2-CB 4.16Å; L128-V132 HydrophobicContact CD2-CG2 3.25Å; L128-V132 HydrophobicContact CG-CG2 4.47Å; R130-V132 PolarHBondContact O-N 3.02Å; R130-V132 VanDerWaalsContact O-N 3.15Å | ||
| 133 | L | 69.8 | Low | 78.8 | Confident | 107 Ų | 107 | 60.8 Ų | 60.8 | 56% | 0.56 | 31% | 0.307 | S | S | * | . | trans | -83.5 | 111.3 | 159.7 | -178.4 | 71.9 | 0 | 0 | 0 | 106.9 | K244 | L133-K244 HydrophobicContact CD1-CG 4.12Š| ||
| 134 | Y | 76.7 | Confident | 78.8 | Confident | 49 Ų | 49 | 61.9 Ų | 61.9 | 19% | 0.192 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 120.1 | 173.4 | -172 | -91.8 | 0 | 0 | 0 | 109 | F241 E242 L243 R279 L283 | Y134-F241 HydrophobicContact CD1-CE2 4.07Å; Y134-F241 HydrophobicContact CD1-CZ 4.01Å; Y134-F241 HydrophobicContact CE1-CE1 4.46Å; Y134-F241 HydrophobicContact CE1-CE2 4.21Å; Y134-F241 AromaticContact CE1-CZ 3.69Å; Y134-F241 HydrophobicContact CE1-CZ 3.69Å; Y134-E242 CarbonylContact O-C 3.54Å; Y134-E242 WeakPolarHBondContact O-CA 3.48Å; Y134-L243 PolarHBondContact N-O 3.13Å; Y134-L243 PolarHBondContact O-N 2.98Å; Y134-R279 PolarHBondContact OH-NH2 3.27Å; Y134-L283 HydrophobicContact CD1-CD1 3.39Å; Y134-L283 HydrophobicContact CD1-CD2 4.01Å; Y134-L283 HydrophobicContact CD1-CG 4.36Å; Y134-L283 HydrophobicContact CD2-CD2 4.41Å; Y134-L283 HydrophobicContact CE1-CD1 3.5Å; Y134-L283 VanDerWaalsContact CE1-CD1 3.5Å; Y134-L283 HydrophobicContact CE1-CD2 3.45Å; Y134-L283 VanDerWaalsContact CE1-CD2 3.45Å; Y134-L283 HydrophobicContact CE1-CG 4.12Å; Y134-L283 HydrophobicContact CE2-CD2 3.92Å; Y134-L283 HydrophobicContact CG-CD1 4.12Å; Y134-L283 HydrophobicContact CG-CD2 4.44Å |
| 135 | A | 79.5 | Confident | 78.6 | Confident | 50 Ų | 50 | 65.1 Ų | 65.1 | 41% | 0.413 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 125.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | F241 E242 | A135-F241 WeakPolarHBondContact CA-O 3.11Å; A135-E242 HydrophobicContact CB-CG 4.14Å |
| 136 | S | 80.8 | Confident | 78.5 | Confident | 7 Ų | 7 | 65.3 Ų | 65.3 | 5% | 0.049 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 165.1 | 177.4 | 177.2 | 0 | 0 | 0 | 0 | 109.7 | F241 | S136-F241 VanDerWaalsContact CB-CE1 3.42Å; S136-F241 PolarHBondContact N-O 2.98Å; S136-F241 VanDerWaalsContact N-O 3.16Å; S136-F241 WeakPolarHBondContact O-CD1 3.06Å; S136-F241 PolarHBondContact O-N 3.36Å |
| 137 | L | 86.7 | Confident | 78.7 | Confident | 6 Ų | 6 | 68.2 Ų | 68.2 | 3% | 0.031 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 147.4 | 170.7 | -154.1 | 77.6 | 0 | 0 | 0 | 110.3 | H234 F235 I239 A240 | L137-H234 WeakPolarHBondContact CD2-O 3.22Å; L137-F235 VanDerWaalsContact CD2-CA 3.49Å; L137-F235 HydrophobicContact CD2-CB 4.29Å; L137-F235 HydrophobicContact CD2-CD1 3.68Å; L137-F235 HydrophobicContact CD2-CE1 4.07Å; L137-F235 HydrophobicContact CD2-CG 4Å; L137-I239 WeakPolarHBondContact CA-O 3.33Å; L137-A240 HydrophobicContact CD1-CB 4.21Å |
| 138 | I | 87.2 | Confident | 79.3 | Confident | 9 Ų | 9 | 69.3 Ų | 69.3 | 5% | 0.046 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 129.2 | 175.1 | -55.4 | 179.4 | 0 | 0 | 0 | 108.2 | M140 G238 I239 F241 T275 Y276 R279 | I138-M140 HydrophobicContact CB-CE 4.35Å; I138-M140 HydrophobicContact CG2-CE 4.14Å; I138-M140 HydrophobicContact CG2-SD 4.13Å; I138-M140 PolarHBondContact O-N 3.21Å; I138-G238 CarbonylContact O-C 3.51Å; I138-G238 WeakPolarHBondContact O-CA 3.42Å; I138-I239 PolarHBondContact N-O 2.85Å; I138-I239 PolarHBondContact O-N 3.47Å; I138-F241 HydrophobicContact CD1-CB 4.48Å; I138-F241 HydrophobicContact CD1-CD1 3.23Å; I138-F241 HydrophobicContact CD1-CE1 3.31Å; I138-F241 HydrophobicContact CD1-CG 3.86Å; I138-F241 HydrophobicContact CD1-CZ 4.02Å; I138-F241 HydrophobicContact CG1-CD1 3.36Å; I138-F241 HydrophobicContact CG1-CE1 3.3Å; I138-F241 HydrophobicContact CG1-CG 4.41Å; I138-F241 HydrophobicContact CG1-CZ 4.36Å; I138-T275 HydrophobicContact CG2-CG2 4.15Å; I138-Y276 HydrophobicContact CD1-CD2 3.56Å; I138-Y276 HydrophobicContact CD1-CE2 4.03Å; I138-R279 HydrophobicContact CD1-CB 3.81Å; I138-R279 HydrophobicContact CD1-CG 3.5Å; I138-R279 HydrophobicContact CG1-CB 4.39Å; I138-R279 HydrophobicContact CG1-CG 3.73Å |
| 139 | A | 87.1 | Confident | 80.3 | Confident | 41 Ų | 41 | 77.2 Ų | 77.2 | 34% | 0.339 | 41% | 0.408 | S | S | . | . | trans | -76.6 | 120.5 | 163.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | H234 | A139-H234 WeakPolarHBondContact CB-CE1 3.2Å; A139-H234 WeakPolarHBondContact CB-ND1 3.28Å; A139-H234 PolarHBondContact N-CE1 3.35Å; A139-H234 VanDerWaalsContact N-CE1 3.27Å | ||
| 140 | M | 89.5 | Confident | 81.8 | Confident | 11 Ų | 11 | 69.4 Ų | 69.4 | 5% | 0.054 | 37% | 0.37 | C | S | . | . | trans | -80.5 | 139.6 | 166.3 | -63.1 | -53.9 | 176.3 | 0 | 0 | 109.3 | I138 Y142 I239 N272 Y276 | I138-M140 HydrophobicContact CB-CE 4.35Å; I138-M140 HydrophobicContact CG2-CE 4.14Å; I138-M140 HydrophobicContact CG2-SD 4.13Å; I138-M140 PolarHBondContact O-N 3.21Å; M140-Y142 PolarHBondContact O-N 3.05Å; M140-I239 HydrophobicContact CB-CD1 4.48Å; M140-I239 HydrophobicContact CE-CB 4.07Å; M140-I239 HydrophobicContact CE-CD1 3.77Å; M140-I239 HydrophobicContact CE-CG1 4.24Å; M140-I239 HydrophobicContact CE-CG2 4.46Å; M140-I239 HydrophobicContact CG-CD1 3.35Å; M140-I239 HydrophobicContact CG-CG1 3.85Å; M140-I239 HydrophobicContact SD-CD1 4.41Å; M140-N272 HydrophobicContact SD-CB 4.19Å; M140-Y276 HydrophobicContact CE-CD2 4.31Å | ||
| 141 | P | 90.5 | Very high | 83.3 | Confident | 70 Ų | 70 | 62.1 Ų | 62.1 | 46% | 0.455 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -56.2 | -39 | 174.6 | -25 | 33.1 | 0 | 0 | 0 | 112.4 | P143 N272 T275 | P141-P143 VanDerWaalsContact O-CD 3.29Å; P141-P143 WeakPolarHBondContact O-CD 3.49Å; P141-N272 WeakPolarHBondContact CD-OD1 3.36Å; P141-T275 VanDerWaalsContact CD-OG1 3.25Å; P141-T275 WeakPolarHBondContact CD-OG1 3.49Å; P141-T275 HydrophobicContact CG-CG2 4.48Å; P141-T275 WeakPolarHBondContact CG-OG1 3.44Å |
| 142 | Y | 93.3 | Very high | 84.7 | Confident | 94 Ų | 94 | 55 Ų | 55 | 37% | 0.369 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -110.3 | 93.2 | 177.1 | -59.5 | -75.1 | 0 | 0 | 0 | 109.7 | M140 Y268 A271 N272 | M140-Y142 PolarHBondContact O-N 3.05Å; Y142-Y268 AromaticContact CD1-CD1 3.7Å; Y142-Y268 HydrophobicContact CD1-CD1 3.7Å; Y142-Y268 HydrophobicContact CD1-CD2 4.19Å; Y142-Y268 AromaticContact CD1-CE1 3.96Å; Y142-Y268 HydrophobicContact CD1-CE1 3.96Å; Y142-Y268 HydrophobicContact CD1-CE2 4.41Å; Y142-Y268 AromaticContact CD1-CG 3.83Å; Y142-Y268 HydrophobicContact CD1-CG 3.83Å; Y142-Y268 AromaticContact CD2-CD1 3.9Å; Y142-Y268 HydrophobicContact CD2-CD1 3.9Å; Y142-Y268 HydrophobicContact CD2-CG 4.01Å; Y142-Y268 AromaticContact CE1-CD1 3.52Å; Y142-Y268 HydrophobicContact CE1-CD1 3.52Å; Y142-Y268 AromaticContact CE1-CE1 3.5Å; Y142-Y268 HydrophobicContact CE1-CE1 3.5Å; Y142-Y268 HydrophobicContact CE1-CG 4.15Å; Y142-Y268 AromaticContact CE2-CD1 3.72Å; Y142-Y268 HydrophobicContact CE2-CD1 3.72Å; Y142-Y268 HydrophobicContact CE2-CE1 4.42Å; Y142-Y268 HydrophobicContact CE2-CG 4.31Å; Y142-Y268 AromaticContact CG-CD1 3.88Å; Y142-Y268 HydrophobicContact CG-CD1 3.88Å; Y142-Y268 HydrophobicContact CG-CD2 4.35Å; Y142-Y268 AromaticContact CG-CG 3.75Å; Y142-Y268 HydrophobicContact CG-CG 3.75Å; Y142-Y268 AromaticContact CZ-CD1 3.52Å; Y142-Y268 AromaticContact CZ-CE1 3.76Å; Y142-A271 HydrophobicContact CD2-CB 3.83Å; Y142-A271 HydrophobicContact CE2-CB 3.51Å; Y142-N272 PolarHBondContact N-OD1 3.47Å; Y142-N272 VanDerWaalsContact N-OD1 3.07Å; Y142-N272 PolarHBondContact O-ND2 3.24Å |
| 143 | P | 89.5 | Confident | 85.9 | Confident | 85 Ų | 85 | 53.4 Ų | 53.4 | 55% | 0.552 | 31% | 0.306 | S | S | * | . | trans | -68.2 | 144.5 | -178.5 | 28.5 | -35 | 0 | 0 | 0 | 111 | P141 | P141-P143 VanDerWaalsContact O-CD 3.29Å; P141-P143 WeakPolarHBondContact O-CD 3.49Å | ||
| 144 | F | 90.8 | Very high | 87.1 | Confident | 24 Ų | 24 | 48.4 Ų | 48.4 | 11% | 0.105 | 28% | 0.279 | C | S | . | . | trans | -136.4 | 158.6 | 175.5 | 61.4 | -86.1 | 0 | 0 | 0 | 110.5 | F117 H146 I239 V258 I259 G260 K261 M264 | F117-F144 HydrophobicContact CD1-CE2 4.38Å; F144-H146 HydrophobicContact CD2-CB 4.49Å; F144-H146 HydrophobicContact CE2-CB 4.08Å; F144-H146 PolarHBondContact O-N 3.05Å; F144-H146 VanDerWaalsContact O-N 3.08Å; F144-I239 HydrophobicContact CD1-CD1 4.41Å; F144-I239 HydrophobicContact CE1-CD1 3.28Å; F144-I239 HydrophobicContact CE2-CD1 4.38Å; F144-I239 HydrophobicContact CZ-CD1 3.26Å; F144-I239 HydrophobicContact CZ-CG1 4.47Å; F144-V258 HydrophobicContact CE2-CG1 3.73Å; F144-V258 HydrophobicContact CZ-CB 4.37Å; F144-V258 HydrophobicContact CZ-CG1 3.79Å; F144-I259 WeakPolarHBondContact CE1-O 3.48Å; F144-I259 VanDerWaalsContact CZ-C 3.48Å; F144-G260 VanDerWaalsContact CZ-CA 3.42Å; F144-K261 HydrophobicContact CD2-CG 4.19Å; F144-M264 HydrophobicContact CB-CE 4.42Å; F144-M264 HydrophobicContact CB-SD 3.76Å; F144-M264 HydrophobicContact CD1-SD 4.06Å; F144-M264 HydrophobicContact CG-SD 4.04Å | ||
| 145 | A | 85.6 | Confident | 88 | Confident | 68 Ų | 68 | 46 Ų | 46 | 56% | 0.562 | 27% | 0.27 | S | S | * | . | trans | -73.1 | 102.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | F117 G147 K261 | F117-A145 WeakPolarHBondContact CE1-O 3.46Å; A145-G147 VanDerWaalsContact C-N 3.29Å; A145-G147 PolarHBondContact O-N 3.38Å; A145-K261 WeakPolarHBondContact O-CE 3.42Å | ||
| 146 | H | 83.2 | Confident | 88.6 | Confident | 33 Ų | 33 | 43.7 Ų | 43.7 | 15% | 0.153 | 25% | 0.251 | C | S | . | . | trans | -82.8 | -1.8 | 179 | 57.3 | -88.4 | 0 | 0 | 0 | 113.6 | F144 Q148 I236 | F144-H146 HydrophobicContact CD2-CB 4.49Å; F144-H146 HydrophobicContact CE2-CB 4.08Å; F144-H146 PolarHBondContact O-N 3.05Å; F144-H146 VanDerWaalsContact O-N 3.08Å; H146-Q148 VanDerWaalsContact C-N 3.26Å; H146-Q148 VanDerWaalsContact CD2-CB 3.46Å; H146-Q148 WeakPolarHBondContact CD2-CB 3.42Å; H146-Q148 PolarHBondContact CD2-N 3.44Å; H146-Q148 PolarHBondContact NE2-O 3.19Å; H146-Q148 PolarHBondContact O-N 2.76Å; H146-I236 PolarHBondContact CE1-O 3.16Å | ||
| 147 | G | 81.7 | Confident | 89.2 | Confident | 72 Ų | 72 | 49 Ų | 49 | 74% | 0.742 | 27% | 0.273 | S | S | * | . | trans | 75.3 | 1.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | A145 | A145-G147 VanDerWaalsContact C-N 3.29Å; A145-G147 PolarHBondContact O-N 3.38Å | ||
| 148 | Q | 82.4 | Confident | 89.4 | Confident | 116 Ų | 116 | 52.3 Ų | 52.3 | 54% | 0.542 | 29% | 0.291 | S | S | . | . | trans | -88 | 128 | 174.2 | -56.7 | 168.7 | -4.9 | 0 | 0 | 109 | H146 R150 | H146-Q148 VanDerWaalsContact C-N 3.26Å; H146-Q148 VanDerWaalsContact CD2-CB 3.46Å; H146-Q148 WeakPolarHBondContact CD2-CB 3.42Å; H146-Q148 PolarHBondContact CD2-N 3.44Å; H146-Q148 PolarHBondContact NE2-O 3.19Å; H146-Q148 PolarHBondContact O-N 2.76Å; Q148-R150 HydrophobicContact CB-CG 4.48Å | ||
| 149 | K | 84.2 | Confident | 89.6 | Confident | 207 Ų | 207 | 56 Ų | 56 | 90% | 0.9 | 32% | 0.315 | S | S | * | . | trans | -86.4 | 121.6 | 165.3 | -66.7 | -177.1 | 178.4 | -177.5 | 0 | 106.9 | ||||
| 150 | R | 88.2 | Confident | 89.9 | Confident | 39 Ų | 39 | 60 Ų | 60 | 15% | 0.147 | 33% | 0.331 | C | S | . | . | trans | -113.9 | 131.6 | -179.4 | -67.8 | 173.7 | 178.1 | 168.6 | 10.9 | 110.2 | Q148 D193 Y194 F235 G238 | Q148-R150 HydrophobicContact CB-CG 4.48Å; R150-D193 VanDerWaalsContact CA-OD2 3.26Å; R150-D193 WeakPolarHBondContact CA-OD2 3.39Å; R150-D193 HydrophobicContact CB-CB 4.47Å; R150-Y194 HydrophobicContact CG-CD2 4.49Å; R150-Y194 HydrophobicContact CG-CE2 4.3Å; R150-F235 PolarHBondContact NH1-O 3.43Å; R150-G238 VanDerWaalsContact CZ-O 3.32Å; R150-G238 PolarHBondContact NH1-O 3.24Å; R150-G238 PolarHBondContact NH2-O 3.49Å; R150-G238 VanDerWaalsContact NH2-O 3.09Å | ||
| 151 | T | 91.3 | Very high | 90 | Very high | 29 Ų | 29 | 60.1 Ų | 60.1 | 18% | 0.178 | 33% | 0.334 | C | S | . | . | trans | -87.9 | 115.8 | 172.5 | -69 | 0 | 0 | 0 | 0 | 109.3 | E171 D191 V192 D193 Y194 | T151-E171 VanDerWaalsContact CB-OE2 3.23Å; T151-E171 WeakPolarHBondContact CB-OE2 2.88Å; T151-E171 HydrophobicContact CG2-CB 4.29Å; T151-E171 WeakPolarHBondContact CG2-OE2 3.46Å; T151-E171 PolarHBondContact OG1-OE2 3.24Å; T151-D191 WeakPolarHBondContact CB-O 3.12Å; T151-V192 HydrophobicContact CG2-CB 4.44Å; T151-V192 HydrophobicContact CG2-CG2 4.19Å; T151-D193 PolarHBondContact N-OD2 2.92Å; T151-D193 PolarHBondContact O-N 3.11Å; T151-Y194 PolarHBondContact O-N 3.48Å | ||
| 152 | I | 92.7 | Very high | 90.1 | Very high | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.01 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 126.9 | -177.5 | -60.4 | 169.5 | 0 | 0 | 0 | 110 | E171 Y194 V196 F235 I236 | I152-E171 PolarHBondContact O-N 3Å; I152-E171 VanDerWaalsContact O-N 3.1Å; I152-Y194 WeakPolarHBondContact CA-O 3.26Å; I152-V196 HydrophobicContact CG2-CG2 4.03Å; I152-F235 HydrophobicContact CD1-CB 3.81Å; I152-I236 HydrophobicContact CD1-CB 4.37Å; I152-I236 HydrophobicContact CD1-CD1 4.31Å; I152-I236 HydrophobicContact CD1-CG1 3.33Å |
| 153 | L | 93.8 | Very high | 90.1 | Very high | 3 Ų | 3 | 59 Ų | 59 | 2% | 0.016 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 118.6 | 176 | -173.1 | 68.2 | 0 | 0 | 0 | 110 | F155 I172 L178 I182 V192 Y194 S195 V196 M212 | L153-F155 HydrophobicContact CD2-CE1 4.16Å; L153-F155 HydrophobicContact CD2-CE2 3.61Å; L153-F155 HydrophobicContact CD2-CZ 3.3Å; L153-F155 HydrophobicContact CG-CE1 4.39Å; L153-F155 HydrophobicContact CG-CE2 3.91Å; L153-F155 HydrophobicContact CG-CZ 3.82Å; L153-I172 HydrophobicContact CD1-CB 3.57Å; L153-I172 HydrophobicContact CD1-CD1 4.5Å; L153-I172 HydrophobicContact CD1-CG2 3.58Å; L153-L178 HydrophobicContact CD1-CD1 4.34Å; L153-L178 HydrophobicContact CD1-CD2 3.72Å; L153-L178 HydrophobicContact CD1-CG 4.39Å; L153-L178 HydrophobicContact CG-CD2 4.33Å; L153-I182 HydrophobicContact CD2-CD1 3.81Å; L153-V192 HydrophobicContact CB-CG1 3.81Å; L153-Y194 PolarHBondContact N-O 2.94Å; L153-S195 CarbonylContact O-C 2.98Å; L153-S195 WeakPolarHBondContact O-CA 3.33Å; L153-V196 PolarHBondContact O-N 2.59Å; L153-M212 HydrophobicContact CD2-SD 4.36Å |
| 154 | A | 94.5 | Very high | 90.3 | Very high | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.008 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 125 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A165 A170 I172 T173 G174 V196 I228 V232 | A154-A165 HydrophobicContact CB-CB 3.74Å; A154-A170 HydrophobicContact CB-CB 3.77Å; A154-I172 PolarHBondContact N-O 3.27Å; A154-T173 HydrophobicContact CB-CG2 4.18Å; A154-T173 WeakPolarHBondContact O-CA 3.28Å; A154-G174 PolarHBondContact O-N 3.44Å; A154-G174 VanDerWaalsContact O-N 3.1Å; A154-V196 WeakPolarHBondContact CA-O 3.19Å; A154-I228 HydrophobicContact CB-CD1 3.99Å; A154-I228 HydrophobicContact CB-CG1 4.43Å; A154-V232 HydrophobicContact CB-CG2 4.3Å |
| 155 | F | 94.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 117.5 | 179.4 | -64.5 | -75.7 | 0 | 0 | 0 | 111.1 | L153 G174 L178 V179 I182 V196 C197 H198 M201 L205 L208 M212 | L153-F155 HydrophobicContact CD2-CE1 4.16Å; L153-F155 HydrophobicContact CD2-CE2 3.61Å; L153-F155 HydrophobicContact CD2-CZ 3.3Å; L153-F155 HydrophobicContact CG-CE1 4.39Å; L153-F155 HydrophobicContact CG-CE2 3.91Å; L153-F155 HydrophobicContact CG-CZ 3.82Å; F155-G174 VanDerWaalsContact CA-O 3.29Å; F155-G174 WeakPolarHBondContact CA-O 3.04Å; F155-L178 HydrophobicContact CD1-CD2 3.83Å; F155-L178 HydrophobicContact CD1-CG 4.36Å; F155-L178 HydrophobicContact CE1-CB 4.44Å; F155-L178 HydrophobicContact CE1-CD2 3.68Å; F155-L178 HydrophobicContact CE1-CG 3.86Å; F155-V179 HydrophobicContact CD1-CG2 4.34Å; F155-V179 HydrophobicContact CE1-CG2 4.19Å; F155-I182 HydrophobicContact CE1-CD1 3.8Å; F155-I182 HydrophobicContact CZ-CD1 3.64Å; F155-V196 PolarHBondContact N-O 3.04Å; F155-C197 HydrophobicContact CB-CB 4.43Å; F155-H198 PolarHBondContact O-N 2.83Å; F155-M201 HydrophobicContact CB-CG 3.92Å; F155-L205 HydrophobicContact CB-CD1 4.18Å; F155-L205 HydrophobicContact CB-CD2 4.22Å; F155-L205 HydrophobicContact CD1-CD2 3.69Å; F155-L205 HydrophobicContact CD2-CD1 3.84Å; F155-L205 HydrophobicContact CD2-CD2 3.95Å; F155-L205 HydrophobicContact CE1-CD2 3.88Å; F155-L205 HydrophobicContact CE2-CD1 4.39Å; F155-L205 HydrophobicContact CE2-CD2 4.13Å; F155-L205 HydrophobicContact CG-CD1 4.08Å; F155-L205 HydrophobicContact CG-CD2 3.71Å; F155-L205 HydrophobicContact CZ-CD2 4.08Å; F155-L208 HydrophobicContact CE1-CD1 4.37Å; F155-L208 HydrophobicContact CZ-CD1 4.21Å; F155-M212 HydrophobicContact CE2-CE 3.93Å; F155-M212 HydrophobicContact CZ-CE 3.85Å |
| 156 | A | 93.4 | Very high | 90.8 | Very high | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.008 | 31% | 0.314 | C | S | . | . | trans | -145.6 | 143 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | A161 Q162 G174 G175 H198 I228 | A156-A161 HydrophobicContact CB-CB 3.77Å; A156-Q162 HydrophobicContact CB-CG 3.89Å; A156-Q162 PolarHBondContact O-NE2 3.32Å; A156-G174 PolarHBondContact N-O 3.44Å; A156-G174 VanDerWaalsContact N-O 3.13Å; A156-G174 CarbonylContact O-C 3.48Å; A156-G175 WeakPolarHBondContact O-CA 3.18Å; A156-G175 PolarHBondContact O-N 2.96Å; A156-H198 HydrophobicContact CB-CB 4.12Å; A156-I228 HydrophobicContact CB-CD1 3.79Å | ||
| 157 | K | 92.2 | Very high | 91.4 | Very high | 117 Ų | 117 | 63.3 Ų | 63.3 | 51% | 0.509 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -79.4 | -43.6 | 176.3 | -171.3 | 172.4 | -178.2 | 169.3 | 0 | 111.3 | Q162 M201 | K157-Q162 PolarHBondContact O-NE2 3.1Å; K157-M201 HydrophobicContact CB-SD 4.35Å |
| 158 | D | 92.3 | Very high | 91.8 | Very high | 76 Ų | 76 | 60.7 Ų | 60.7 | 41% | 0.406 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -73.4 | 130.2 | -178.9 | -60.7 | -53.2 | 0 | 0 | 0 | 111.7 | N160 A161 Q162 | D158-N160 PolarHBondContact O-N 2.88Å; D158-A161 HydrophobicContact CB-CB 4.2Å; D158-A161 PolarHBondContact O-N 3.34Å; D158-Q162 WeakPolarHBondContact O-CG 3.35Å; D158-Q162 PolarHBondContact O-N 2.77Å; D158-Q162 VanDerWaalsContact O-N 3.1Å |
| 159 | P | 90.6 | Very high | 92.3 | Very high | 86 Ų | 86 | 57.3 Ų | 57.3 | 56% | 0.558 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -57.4 | -36.1 | 175.6 | -26.6 | 35.2 | 0 | 0 | 0 | 113.1 | A161 Q162 I163 | P159-A161 PolarHBondContact O-N 3.36Å; P159-Q162 WeakPolarHBondContact O-CB 3.49Å; P159-Q162 PolarHBondContact O-N 3.37Å; P159-I163 WeakPolarHBondContact O-CG1 3.46Å; P159-I163 PolarHBondContact O-N 3Å |
| 160 | N | 92.8 | Very high | 92.6 | Very high | 125 Ų | 125 | 47.7 Ų | 47.7 | 67% | 0.668 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -62.6 | -44.4 | 177.7 | -66.9 | -25 | 0 | 0 | 0 | 111.7 | D158 Q162 I163 L164 | D158-N160 PolarHBondContact O-N 2.88Å; N160-Q162 VanDerWaalsContact C-N 3.29Å; N160-Q162 PolarHBondContact O-N 3.16Å; N160-I163 PolarHBondContact O-N 3.02Å; N160-L164 WeakPolarHBondContact O-CG 3.37Å; N160-L164 PolarHBondContact O-N 3.02Å |
| 161 | A | 92 | Very high | 92.8 | Very high | 14 Ų | 14 | 52 Ų | 52 | 12% | 0.116 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.7 | -34 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | A156 D158 P159 A165 I228 | A156-A161 HydrophobicContact CB-CB 3.77Å; D158-A161 HydrophobicContact CB-CB 4.2Å; D158-A161 PolarHBondContact O-N 3.34Å; P159-A161 PolarHBondContact O-N 3.36Å; A161-A165 WeakPolarHBondContact O-CB 3Å; A161-A165 PolarHBondContact O-N 3.45Å; A161-I228 HydrophobicContact CB-CG2 4.14Å; A161-I228 VanDerWaalsContact O-CG2 3.28Å; A161-I228 WeakPolarHBondContact O-CG2 3.38Å |
| 162 | Q | 92.9 | Very high | 92.9 | Very high | 48 Ų | 48 | 53 Ų | 53 | 22% | 0.224 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.4 | -40.9 | 173.9 | -64.9 | 171.9 | 26.4 | 0 | 0 | 112.2 | A156 K157 D158 P159 N160 A165 S166 | A156-Q162 HydrophobicContact CB-CG 3.89Å; A156-Q162 PolarHBondContact O-NE2 3.32Å; K157-Q162 PolarHBondContact O-NE2 3.1Å; D158-Q162 WeakPolarHBondContact O-CG 3.35Å; D158-Q162 PolarHBondContact O-N 2.77Å; D158-Q162 VanDerWaalsContact O-N 3.1Å; P159-Q162 WeakPolarHBondContact O-CB 3.49Å; P159-Q162 PolarHBondContact O-N 3.37Å; N160-Q162 VanDerWaalsContact C-N 3.29Å; N160-Q162 PolarHBondContact O-N 3.16Å; Q162-A165 PolarHBondContact O-N 2.95Å; Q162-S166 PolarHBondContact O-N 2.76Å |
| 163 | I | 94.1 | Very high | 92.9 | Very high | 93 Ų | 93 | 55 Ų | 55 | 48% | 0.477 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.4 | -50 | 175.9 | -65.8 | 164.2 | 0 | 0 | 0 | 109.8 | P159 N160 A165 S166 E167 | P159-I163 WeakPolarHBondContact O-CG1 3.46Å; P159-I163 PolarHBondContact O-N 3Å; N160-I163 PolarHBondContact O-N 3.02Å; I163-A165 VanDerWaalsContact C-N 3.29Å; I163-A165 PolarHBondContact O-N 2.89Å; I163-S166 WeakPolarHBondContact O-CA 3.36Å; I163-S166 WeakPolarHBondContact O-CB 3.17Å; I163-S166 PolarHBondContact O-N 2.82Å; I163-E167 HydrophobicContact CG2-CG 4.37Å; I163-E167 WeakPolarHBondContact O-CG 2.88Å; I163-E167 PolarHBondContact O-N 3.3Å |
| 164 | L | 93.9 | Very high | 92.8 | Very high | 88 Ų | 88 | 55.2 Ų | 55.2 | 46% | 0.461 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59.1 | -38.4 | 178.3 | -69 | 175.1 | 0 | 0 | 0 | 112.7 | N160 A168 A229 | N160-L164 WeakPolarHBondContact O-CG 3.37Å; N160-L164 PolarHBondContact O-N 3.02Å; L164-A168 VanDerWaalsContact O-CB 3.31Å; L164-A168 WeakPolarHBondContact O-CB 3.07Å; L164-A168 PolarHBondContact O-N 2.9Å; L164-A229 HydrophobicContact CB-CB 4.37Å |
| 165 | A | 92.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.5 | -40 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A154 A161 Q162 I163 A168 G169 A170 T173 I228 V232 | A154-A165 HydrophobicContact CB-CB 3.74Å; A161-A165 WeakPolarHBondContact O-CB 3Å; A161-A165 PolarHBondContact O-N 3.45Å; Q162-A165 PolarHBondContact O-N 2.95Å; I163-A165 VanDerWaalsContact C-N 3.29Å; I163-A165 PolarHBondContact O-N 2.89Å; A165-A168 PolarHBondContact O-N 2.97Å; A165-G169 PolarHBondContact O-N 3.2Å; A165-A170 HydrophobicContact CB-CB 4.33Å; A165-A170 WeakPolarHBondContact O-CB 2.99Å; A165-A170 PolarHBondContact O-N 2.99Å; A165-T173 HydrophobicContact CB-CG2 3.88Å; A165-I228 HydrophobicContact CB-CD1 4.07Å; A165-I228 HydrophobicContact CB-CG1 4.04Å; A165-I228 HydrophobicContact CB-CG2 3.98Å; A165-V232 HydrophobicContact CB-CG2 4.33Å |
| 166 | S | 93.7 | Very high | 92.6 | Very high | 66 Ų | 66 | 58.1 Ų | 58.1 | 46% | 0.462 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -66 | -42.8 | 177.5 | -168.3 | 0 | 0 | 0 | 0 | 111.3 | Q162 I163 A168 G169 | Q162-S166 PolarHBondContact O-N 2.76Å; I163-S166 WeakPolarHBondContact O-CA 3.36Å; I163-S166 WeakPolarHBondContact O-CB 3.17Å; I163-S166 PolarHBondContact O-N 2.82Å; S166-A168 VanDerWaalsContact C-N 3.3Å; S166-A168 PolarHBondContact O-N 3.43Å; S166-G169 PolarHBondContact O-N 2.7Å |
| 167 | E | 94.3 | Very high | 92.5 | Very high | 147 Ų | 147 | 64.9 Ų | 64.9 | 69% | 0.687 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -65.4 | -33.7 | 175.7 | -70.6 | 178.6 | 170.1 | 0 | 0 | 112.3 | I163 G169 | I163-E167 HydrophobicContact CG2-CG 4.37Å; I163-E167 WeakPolarHBondContact O-CG 2.88Å; I163-E167 PolarHBondContact O-N 3.3Å; E167-G169 PolarHBondContact O-N 3.1Å |
| 168 | A | 91.9 | Very high | 92.5 | Very high | 16 Ų | 16 | 59.8 Ų | 59.8 | 13% | 0.132 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -13.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L164 A165 S166 A229 V232 K233 I236 | L164-A168 VanDerWaalsContact O-CB 3.31Å; L164-A168 WeakPolarHBondContact O-CB 3.07Å; L164-A168 PolarHBondContact O-N 2.9Å; A165-A168 PolarHBondContact O-N 2.97Å; S166-A168 VanDerWaalsContact C-N 3.3Å; S166-A168 PolarHBondContact O-N 3.43Å; A168-A229 HydrophobicContact CB-CB 4.18Å; A168-V232 HydrophobicContact CB-CB 3.93Å; A168-V232 HydrophobicContact CB-CG1 3.79Å; A168-K233 HydrophobicContact CB-CG 4.42Å; A168-I236 VanDerWaalsContact O-CD1 3.23Å; A168-I236 WeakPolarHBondContact O-CD1 3.28Å |
| 169 | G | 91.3 | Very high | 92.4 | Very high | 45 Ų | 45 | 56.5 Ų | 56.5 | 46% | 0.464 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 108.8 | 17.8 | 178 | 0 | 0 | 0 | 0 | 0 | 115.3 | A165 S166 E167 | A165-G169 PolarHBondContact O-N 3.2Å; S166-G169 PolarHBondContact O-N 2.7Å; E167-G169 PolarHBondContact O-N 3.1Å |
| 170 | A | 91.8 | Very high | 92.5 | Very high | 6 Ų | 6 | 58.4 Ų | 58.4 | 5% | 0.05 | 32% | 0.318 | C | S | . | . | trans | -70.1 | 130.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | A154 A165 T173 V232 | A154-A170 HydrophobicContact CB-CB 3.77Å; A165-A170 HydrophobicContact CB-CB 4.33Å; A165-A170 WeakPolarHBondContact O-CB 2.99Å; A165-A170 PolarHBondContact O-N 2.99Å; A170-T173 HydrophobicContact CB-CG2 3.77Å; A170-V232 HydrophobicContact CB-CG1 4.19Å; A170-V232 HydrophobicContact CB-CG2 4.18Å | ||
| 171 | E | 92.2 | Very high | 92.5 | Very high | 128 Ų | 128 | 57.4 Ų | 57.4 | 60% | 0.598 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -72.9 | -39.2 | -176.8 | -173.7 | 176.2 | 160.6 | 0 | 0 | 111.7 | T151 I152 | T151-E171 VanDerWaalsContact CB-OE2 3.23Å; T151-E171 WeakPolarHBondContact CB-OE2 2.88Å; T151-E171 HydrophobicContact CG2-CB 4.29Å; T151-E171 WeakPolarHBondContact CG2-OE2 3.46Å; T151-E171 PolarHBondContact OG1-OE2 3.24Å; I152-E171 PolarHBondContact O-N 3Å; I152-E171 VanDerWaalsContact O-N 3.1Å |
| 172 | I | 92.5 | Very high | 92.5 | Very high | 51 Ų | 51 | 56.9 Ų | 56.9 | 26% | 0.262 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 123.8 | 179.6 | -56.7 | 173.6 | 0 | 0 | 0 | 108.1 | L153 A154 L178 I187 | L153-I172 HydrophobicContact CD1-CB 3.57Å; L153-I172 HydrophobicContact CD1-CD1 4.5Å; L153-I172 HydrophobicContact CD1-CG2 3.58Å; A154-I172 PolarHBondContact N-O 3.27Å; I172-L178 HydrophobicContact CG2-CD1 3.74Å; I172-L178 HydrophobicContact CG2-CD2 4.15Å; I172-I187 HydrophobicContact CD1-CG2 4.42Å |
| 173 | T | 93 | Very high | 92.4 | Very high | 43 Ų | 43 | 58.5 Ų | 58.5 | 26% | 0.264 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 145.6 | 175.9 | 62.6 | 0 | 0 | 0 | 0 | 110.3 | A154 A165 A170 | A154-T173 HydrophobicContact CB-CG2 4.18Å; A154-T173 WeakPolarHBondContact O-CA 3.28Å; A165-T173 HydrophobicContact CB-CG2 3.88Å; A170-T173 HydrophobicContact CB-CG2 3.77Å |
| 174 | G | 92.4 | Very high | 92.2 | Very high | 8 Ų | 8 | 62.2 Ų | 62.2 | 8% | 0.082 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 173.1 | 167.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | A154 F155 A156 | A154-G174 PolarHBondContact O-N 3.44Å; A154-G174 VanDerWaalsContact O-N 3.1Å; F155-G174 VanDerWaalsContact CA-O 3.29Å; F155-G174 WeakPolarHBondContact CA-O 3.04Å; A156-G174 PolarHBondContact N-O 3.44Å; A156-G174 VanDerWaalsContact N-O 3.13Å; A156-G174 CarbonylContact O-C 3.48Å |
| 175 | G | 91.5 | Very high | 91.9 | Very high | 8 Ų | 8 | 60.8 Ų | 60.8 | 8% | 0.082 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -102.3 | -131.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | A156 E177 L178 V179 | A156-G175 WeakPolarHBondContact O-CA 3.18Å; A156-G175 PolarHBondContact O-N 2.96Å; G175-E177 PolarHBondContact O-N 3.01Å; G175-L178 WeakPolarHBondContact O-CB 3.35Å; G175-L178 PolarHBondContact O-N 2.63Å; G175-L178 VanDerWaalsContact O-N 3.1Å; G175-V179 PolarHBondContact O-N 2.8Å |
| 176 | V | 91.9 | Very high | 91.6 | Very high | 55 Ų | 55 | 65.6 Ų | 65.6 | 33% | 0.333 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -58.1 | -32.9 | -177.8 | -159.2 | 0 | 0 | 0 | 0 | 113.3 | L178 V179 K180 M201 E204 | V176-L178 VanDerWaalsContact C-N 3.33Å; V176-V179 WeakPolarHBondContact O-CB 3.16Å; V176-V179 PolarHBondContact O-N 3.02Å; V176-K180 WeakPolarHBondContact O-CG 3.26Å; V176-K180 PolarHBondContact O-N 3.44Å; V176-K180 VanDerWaalsContact O-N 3.12Å; V176-M201 HydrophobicContact CG2-CE 4.21Å; V176-E204 VanDerWaalsContact CG1-OE2 3.32Å; V176-E204 WeakPolarHBondContact CG1-OE2 3.21Å; V176-E204 WeakPolarHBondContact CG2-OE2 3.46Å |
| 177 | E | 92.2 | Very high | 91.1 | Very high | 143 Ų | 143 | 64 Ų | 64 | 67% | 0.668 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -65.5 | -39.1 | 179 | -61.5 | -172.6 | 176.9 | 0 | 0 | 112.2 | G175 V179 K180 K181 | G175-E177 PolarHBondContact O-N 3.01Å; E177-V179 VanDerWaalsContact C-N 3.34Å; E177-K180 PolarHBondContact O-N 3.46Å; E177-K181 WeakPolarHBondContact O-CG 3.27Å; E177-K181 PolarHBondContact O-N 3.19Å |
| 178 | L | 91.6 | Very high | 90.7 | Very high | 10 Ų | 10 | 65.3 Ų | 65.3 | 5% | 0.052 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.5 | -41.8 | 177.8 | -177.8 | 61.3 | 0 | 0 | 0 | 110.3 | L153 F155 I172 G175 V176 K180 K181 I182 I187 | L153-L178 HydrophobicContact CD1-CD1 4.34Å; L153-L178 HydrophobicContact CD1-CD2 3.72Å; L153-L178 HydrophobicContact CD1-CG 4.39Å; L153-L178 HydrophobicContact CG-CD2 4.33Å; F155-L178 HydrophobicContact CD1-CD2 3.83Å; F155-L178 HydrophobicContact CD1-CG 4.36Å; F155-L178 HydrophobicContact CE1-CB 4.44Å; F155-L178 HydrophobicContact CE1-CD2 3.68Å; F155-L178 HydrophobicContact CE1-CG 3.86Å; I172-L178 HydrophobicContact CG2-CD1 3.74Å; I172-L178 HydrophobicContact CG2-CD2 4.15Å; G175-L178 WeakPolarHBondContact O-CB 3.35Å; G175-L178 PolarHBondContact O-N 2.63Å; G175-L178 VanDerWaalsContact O-N 3.1Å; V176-L178 VanDerWaalsContact C-N 3.33Å; L178-K180 VanDerWaalsContact C-N 3.33Å; L178-K180 PolarHBondContact O-N 3.44Å; L178-K181 PolarHBondContact O-N 3.36Å; L178-K181 VanDerWaalsContact O-N 3.16Å; L178-I182 HydrophobicContact CD1-CD1 4.43Å; L178-I182 HydrophobicContact CG-CD1 4.09Å; L178-I182 VanDerWaalsContact O-CG1 3.27Å; L178-I182 WeakPolarHBondContact O-CG1 3.27Å; L178-I182 PolarHBondContact O-N 3.31Å; L178-I187 HydrophobicContact CD1-CD1 3.2Å |
| 179 | V | 91.7 | Very high | 90.4 | Very high | 7 Ų | 7 | 65.9 Ų | 65.9 | 4% | 0.042 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -55.5 | -47.3 | 173 | 176.6 | 0 | 0 | 0 | 0 | 111.5 | F155 G175 V176 E177 K181 I182 L183 M201 L205 L208 | F155-V179 HydrophobicContact CD1-CG2 4.34Å; F155-V179 HydrophobicContact CE1-CG2 4.19Å; G175-V179 PolarHBondContact O-N 2.8Å; V176-V179 WeakPolarHBondContact O-CB 3.16Å; V176-V179 PolarHBondContact O-N 3.02Å; E177-V179 VanDerWaalsContact C-N 3.34Å; V179-K181 PolarHBondContact O-N 3.27Å; V179-I182 PolarHBondContact O-N 3.49Å; V179-L183 HydrophobicContact CG1-CD1 4.13Å; V179-L183 WeakPolarHBondContact O-CG 3.45Å; V179-L183 PolarHBondContact O-N 3.23Å; V179-M201 HydrophobicContact CG2-CE 4.47Å; V179-L205 HydrophobicContact CG2-CD2 3.61Å; V179-L208 HydrophobicContact CB-CD1 3.98Å; V179-L208 HydrophobicContact CG1-CD1 3.6Å; V179-L208 HydrophobicContact CG1-CD2 4.33Å; V179-L208 HydrophobicContact CG1-CG 3.9Å; V179-L208 HydrophobicContact CG2-CD1 3.73Å |
| 180 | K | 92.7 | Very high | 90.2 | Very high | 125 Ų | 125 | 69.8 Ų | 69.8 | 54% | 0.543 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.7 | -39.3 | 177.1 | -68.6 | 175 | -175.7 | 174.4 | 0 | 112.5 | V176 E177 L178 L183 K184 | V176-K180 WeakPolarHBondContact O-CG 3.26Å; V176-K180 PolarHBondContact O-N 3.44Å; V176-K180 VanDerWaalsContact O-N 3.12Å; E177-K180 PolarHBondContact O-N 3.46Å; L178-K180 VanDerWaalsContact C-N 3.33Å; L178-K180 PolarHBondContact O-N 3.44Å; K180-L183 PolarHBondContact O-N 3.11Å; K180-K184 VanDerWaalsContact O-CG 3.3Å; K180-K184 WeakPolarHBondContact O-CG 3.38Å; K180-K184 PolarHBondContact O-N 3.01Å |
| 181 | K | 92 | Very high | 89.9 | Confident | 104 Ų | 104 | 74 Ų | 74 | 45% | 0.452 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64.4 | -39.5 | 176.5 | -72.9 | 174.7 | -175.8 | 174.7 | 0 | 111.8 | E177 L178 V179 K184 G185 T186 I187 | E177-K181 WeakPolarHBondContact O-CG 3.27Å; E177-K181 PolarHBondContact O-N 3.19Å; L178-K181 PolarHBondContact O-N 3.36Å; L178-K181 VanDerWaalsContact O-N 3.16Å; V179-K181 PolarHBondContact O-N 3.27Å; K181-K184 PolarHBondContact O-N 3.11Å; K181-G185 PolarHBondContact O-N 3.42Å; K181-T186 WeakPolarHBondContact O-CB 3.23Å; K181-T186 PolarHBondContact O-N 2.78Å; K181-T186 PolarHBondContact O-OG1 3.13Å; K181-I187 HydrophobicContact CB-CD1 4.35Å |
| 182 | I | 91.6 | Very high | 89.8 | Confident | 3 Ų | 3 | 68.2 Ų | 68.2 | 2% | 0.015 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -68.7 | -43.6 | 177 | -62.7 | 163.6 | 0 | 0 | 0 | 110.8 | L153 F155 L178 V179 K184 G185 I187 I189 L208 | L153-I182 HydrophobicContact CD2-CD1 3.81Å; F155-I182 HydrophobicContact CE1-CD1 3.8Å; F155-I182 HydrophobicContact CZ-CD1 3.64Å; L178-I182 HydrophobicContact CD1-CD1 4.43Å; L178-I182 HydrophobicContact CG-CD1 4.09Å; L178-I182 VanDerWaalsContact O-CG1 3.27Å; L178-I182 WeakPolarHBondContact O-CG1 3.27Å; L178-I182 PolarHBondContact O-N 3.31Å; V179-I182 PolarHBondContact O-N 3.49Å; I182-K184 VanDerWaalsContact C-N 3.26Å; I182-K184 PolarHBondContact O-N 3Å; I182-G185 PolarHBondContact O-N 3.01Å; I182-I187 HydrophobicContact CG1-CB 4.19Å; I182-I187 HydrophobicContact CG1-CD1 4.1Å; I182-I189 HydrophobicContact CG2-CD1 3.58Å; I182-I189 HydrophobicContact CG2-CG1 3.84Å; I182-L208 HydrophobicContact CB-CD2 3.78Å; I182-L208 HydrophobicContact CG2-CD2 3.5Å |
| 183 | L | 90.3 | Very high | 89.7 | Confident | 82 Ų | 82 | 69 Ų | 69 | 43% | 0.429 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.8 | -36.2 | 175.5 | -75.1 | 171.1 | 0 | 0 | 0 | 112.7 | V179 K180 G185 P207 L208 I211 | V179-L183 HydrophobicContact CG1-CD1 4.13Å; V179-L183 WeakPolarHBondContact O-CG 3.45Å; V179-L183 PolarHBondContact O-N 3.23Å; K180-L183 PolarHBondContact O-N 3.11Å; L183-G185 PolarHBondContact O-N 3.27Å; L183-P207 HydrophobicContact CD1-CB 4.39Å; L183-P207 HydrophobicContact CD2-CB 4.26Å; L183-L208 HydrophobicContact CD2-CD2 4.12Å; L183-L208 HydrophobicContact CG-CD2 4.03Å; L183-I211 HydrophobicContact CD2-CD1 3.6Å |
| 184 | K | 91.4 | Very high | 89.6 | Confident | 171 Ų | 171 | 69.1 Ų | 69.1 | 74% | 0.743 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -9.9 | 174.6 | -71.9 | 176.6 | -178.4 | -174.6 | 0 | 113.5 | K180 K181 I182 T186 | K180-K184 VanDerWaalsContact O-CG 3.3Å; K180-K184 WeakPolarHBondContact O-CG 3.38Å; K180-K184 PolarHBondContact O-N 3.01Å; K181-K184 PolarHBondContact O-N 3.11Å; I182-K184 VanDerWaalsContact C-N 3.26Å; I182-K184 PolarHBondContact O-N 3Å; K184-T186 VanDerWaalsContact C-N 3.35Å |
| 185 | G | 86 | Confident | 89.5 | Confident | 58 Ų | 58 | 69 Ų | 69 | 60% | 0.598 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.3 | 19.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | K181 I182 L183 I187 | K181-G185 PolarHBondContact O-N 3.42Å; I182-G185 PolarHBondContact O-N 3.01Å; L183-G185 PolarHBondContact O-N 3.27Å; G185-I187 VanDerWaalsContact C-N 3.32Å |
| 186 | T | 86.6 | Confident | 89.6 | Confident | 102 Ų | 102 | 68.6 Ų | 68.6 | 63% | 0.626 | 35% | 0.346 | S | S | * | . | trans | -69.9 | -32.6 | 176.8 | -51.6 | 0 | 0 | 0 | 0 | 111.8 | K181 K184 | K181-T186 WeakPolarHBondContact O-CB 3.23Å; K181-T186 PolarHBondContact O-N 2.78Å; K181-T186 PolarHBondContact O-OG1 3.13Å; K184-T186 VanDerWaalsContact C-N 3.35Å | ||
| 187 | I | 84.7 | Confident | 89.7 | Confident | 32 Ų | 32 | 66 Ų | 66 | 16% | 0.164 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -102.9 | 130 | 178.5 | -61.1 | 178.5 | 0 | 0 | 0 | 108.5 | I172 L178 K181 I182 G185 I189 | I172-I187 HydrophobicContact CD1-CG2 4.42Å; L178-I187 HydrophobicContact CD1-CD1 3.2Å; K181-I187 HydrophobicContact CB-CD1 4.35Å; I182-I187 HydrophobicContact CG1-CB 4.19Å; I182-I187 HydrophobicContact CG1-CD1 4.1Å; G185-I187 VanDerWaalsContact C-N 3.32Å; I187-I189 PolarHBondContact O-N 2.95Å |
| 188 | R | 85.1 | Confident | 89.8 | Confident | 174 Ų | 174 | 60.2 Ų | 60.2 | 66% | 0.657 | 30% | 0.303 | S | S | * | . | trans | -76.4 | 108.4 | 176 | -60.4 | -177.1 | 78.8 | -177.6 | 2.4 | 108.9 | D190 D191 | R188-D190 PolarHBondContact O-N 2.91Å; R188-D191 WeakPolarHBondContact CB-OD2 3.25Å; R188-D191 IonicContact NE-OD2 2.96Å; R188-D191 PolarHBondContact O-N 3.27Å | ||
| 189 | I | 85.8 | Confident | 89.8 | Confident | 28 Ų | 28 | 64.7 Ų | 64.7 | 14% | 0.144 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -68.9 | -22.5 | 178.9 | -62.2 | 163.3 | 0 | 0 | 0 | 110.9 | I182 I187 D191 V192 I211 M212 K215 | I182-I189 HydrophobicContact CG2-CD1 3.58Å; I182-I189 HydrophobicContact CG2-CG1 3.84Å; I187-I189 PolarHBondContact O-N 2.95Å; I189-D191 VanDerWaalsContact C-N 3.26Å; I189-D191 PolarHBondContact O-N 3.46Å; I189-V192 PolarHBondContact O-N 3.25Å; I189-I211 HydrophobicContact CD1-CB 4.04Å; I189-I211 HydrophobicContact CD1-CG2 3.14Å; I189-M212 HydrophobicContact CD1-CG 4.15Å; I189-M212 HydrophobicContact CG1-CG 4.44Å; I189-M212 HydrophobicContact CG2-CG 3.96Å; I189-K215 HydrophobicContact CG2-CD 4.04Å; I189-K215 WeakPolarHBondContact O-CD 3.31Å; I189-K215 PolarHBondContact O-NZ 3.42Å |
| 190 | D | 86.5 | Confident | 89.7 | Confident | 128 Ų | 128 | 68.4 Ų | 68.4 | 68% | 0.684 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -64 | -31.5 | -179.5 | -63.5 | -32.4 | 0 | 0 | 0 | 112.7 | R188 K215 | R188-D190 PolarHBondContact O-N 2.91Å; D190-K215 VanDerWaalsContact C-NZ 3.26Å; D190-K215 PolarHBondContact O-NZ 3.18Å |
| 191 | D | 86.9 | Confident | 89.6 | Confident | 93 Ų | 93 | 62.4 Ų | 62.4 | 50% | 0.497 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -83.2 | -14.6 | -178.8 | -56.9 | -32 | 0 | 0 | 0 | 112.7 | T151 R188 I189 | T151-D191 WeakPolarHBondContact CB-O 3.12Å; R188-D191 WeakPolarHBondContact CB-OD2 3.25Å; R188-D191 IonicContact NE-OD2 2.96Å; R188-D191 PolarHBondContact O-N 3.27Å; I189-D191 VanDerWaalsContact C-N 3.26Å; I189-D191 PolarHBondContact O-N 3.46Å |
| 192 | V | 89.4 | Confident | 89.2 | Confident | 7 Ų | 7 | 58.6 Ų | 58.6 | 4% | 0.042 | 31% | 0.31 | C | S | . | . | trans | -86 | 128 | 179.4 | 178.9 | 0 | 0 | 0 | 0 | 110.3 | T151 L153 I189 Y194 K215 | T151-V192 HydrophobicContact CG2-CB 4.44Å; T151-V192 HydrophobicContact CG2-CG2 4.19Å; L153-V192 HydrophobicContact CB-CG1 3.81Å; I189-V192 PolarHBondContact O-N 3.25Å; V192-Y194 WeakPolarHBondContact CG1-O 3.19Å; V192-K215 WeakPolarHBondContact O-CD 3.3Å; V192-K215 WeakPolarHBondContact O-CE 3.12Å; V192-K215 PolarHBondContact O-NZ 3.26Å | ||
| 193 | D | 89.6 | Confident | 89 | Confident | 67 Ų | 67 | 63.3 Ų | 63.3 | 36% | 0.358 | 34% | 0.34 | S | S | . | . | trans | -87.9 | -50.3 | 178.2 | -64.2 | -55.5 | 0 | 0 | 0 | 111.9 | R150 T151 | R150-D193 VanDerWaalsContact CA-OD2 3.26Å; R150-D193 WeakPolarHBondContact CA-OD2 3.39Å; R150-D193 HydrophobicContact CB-CB 4.47Å; T151-D193 PolarHBondContact N-OD2 2.92Å; T151-D193 PolarHBondContact O-N 3.11Å | ||
| 194 | Y | 91.2 | Very high | 89 | Confident | 47 Ų | 47 | 62.1 Ų | 62.1 | 18% | 0.184 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 151.1 | -175.2 | -63.9 | -78 | 0 | 0 | 0 | 111.1 | R150 T151 I152 L153 V192 M221 F235 | R150-Y194 HydrophobicContact CG-CD2 4.49Å; R150-Y194 HydrophobicContact CG-CE2 4.3Å; T151-Y194 PolarHBondContact O-N 3.48Å; I152-Y194 WeakPolarHBondContact CA-O 3.26Å; L153-Y194 PolarHBondContact N-O 2.94Å; V192-Y194 WeakPolarHBondContact CG1-O 3.19Å; Y194-M221 HydrophobicContact CD1-CE 4.07Å; Y194-M221 HydrophobicContact CE1-CE 4.22Å; Y194-F235 AromaticContact CD1-CD1 3.8Å; Y194-F235 HydrophobicContact CD1-CD1 3.8Å; Y194-F235 AromaticContact CD1-CE1 3.87Å; Y194-F235 HydrophobicContact CD1-CE1 3.87Å; Y194-F235 AromaticContact CG-CD1 3.78Å; Y194-F235 HydrophobicContact CG-CD1 3.78Å; Y194-F235 HydrophobicContact CG-CE1 4.29Å |
| 195 | S | 91.9 | Very high | 88.8 | Confident | 4 Ų | 4 | 54 Ų | 54 | 3% | 0.028 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 143.5 | 169.7 | 67.1 | 0 | 0 | 0 | 0 | 111.2 | L153 K215 P217 | L153-S195 CarbonylContact O-C 2.98Å; L153-S195 WeakPolarHBondContact O-CA 3.33Å; S195-K215 PolarHBondContact OG-O 3.35Å; S195-P217 WeakPolarHBondContact OG-CD 3.41Å |
| 196 | V | 93.3 | Very high | 89 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 144.6 | -177.6 | 178.8 | 0 | 0 | 0 | 0 | 108.2 | I152 L153 A154 F155 A223 I228 L231 F235 | I152-V196 HydrophobicContact CG2-CG2 4.03Å; L153-V196 PolarHBondContact O-N 2.59Å; A154-V196 WeakPolarHBondContact CA-O 3.19Å; F155-V196 PolarHBondContact N-O 3.04Å; V196-A223 WeakPolarHBondContact CA-O 3.5Å; V196-I228 HydrophobicContact CG1-CG1 4.15Å; V196-L231 HydrophobicContact CG1-CB 3.52Å; V196-L231 HydrophobicContact CG1-CD1 3.8Å; V196-L231 HydrophobicContact CG1-CG 4.31Å; V196-F235 HydrophobicContact CG2-CB 4.37Å; V196-F235 HydrophobicContact CG2-CD2 3.52Å; V196-F235 HydrophobicContact CG2-CE2 4Å; V196-F235 HydrophobicContact CG2-CG 3.92Å |
| 197 | C | 93.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 134.5 | -175 | -178.2 | 0 | 0 | 0 | 0 | 111.9 | F155 L205 P217 A223 I224 G225 | F155-C197 HydrophobicContact CB-CB 4.43Å; C197-L205 HydrophobicContact CB-CD1 3.72Å; C197-L205 WeakPolarHBondContact SG-CD1 3.2Å; C197-P217 HydrophobicContact CB-CB 3.97Å; C197-P217 HydrophobicContact CB-CG 3.96Å; C197-A223 PolarHBondContact N-O 2.83Å; C197-I224 HydrophobicContact CB-CG1 4.24Å; C197-I224 WeakPolarHBondContact O-CA 3.07Å; C197-G225 PolarHBondContact O-N 2.91Å |
| 198 | H | 94.2 | Very high | 89.3 | Confident | 22 Ų | 22 | 52.5 Ų | 52.5 | 10% | 0.102 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 147 | 164.5 | -168.3 | -108 | 0 | 0 | 0 | 110.9 | F155 A156 D200 M201 G225 T226 | F155-H198 PolarHBondContact O-N 2.83Å; A156-H198 HydrophobicContact CB-CB 4.12Å; H198-D200 VanDerWaalsContact CE1-CG 3.5Å; H198-D200 IonicContact CE1-OD1 3.21Å; H198-D200 IonicContact CE1-OD2 2.96Å; H198-D200 PolarHBondContact CE1-OD2 3.11Å; H198-D200 PolarHBondContact ND1-N 2.94Å; H198-D200 IonicContact ND1-OD2 3.46Å; H198-D200 PolarHBondContact ND1-OD2 3.02Å; H198-D200 PolarHBondContact O-N 2.96Å; H198-M201 PolarHBondContact O-N 2.89Å; H198-G225 WeakPolarHBondContact CA-O 3.48Å; H198-G225 PolarHBondContact CD2-O 3.37Å; H198-T226 PolarHBondContact CD2-O 3.42Å; H198-T226 PolarHBondContact NE2-O 2.96Å |
| 199 | L | 91.3 | Very high | 89.4 | Confident | 105 Ų | 105 | 51.2 Ų | 51.2 | 55% | 0.55 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -53.5 | -40.2 | -176.5 | -172.1 | 63.7 | 0 | 0 | 0 | 113.2 | M201 G202 I224 G225 T226 | L199-M201 PolarHBondContact O-N 2.79Å; L199-G202 PolarHBondContact O-N 3.36Å; L199-I224 HydrophobicContact CD1-CG2 4.23Å; L199-G225 PolarHBondContact N-O 2.74Å; L199-G225 VanDerWaalsContact N-O 3.08Å; L199-T226 HydrophobicContact CD2-CG2 4.41Å |
| 200 | D | 90 | Very high | 89.5 | Confident | 84 Ų | 84 | 52.6 Ų | 52.6 | 45% | 0.449 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -65.6 | -23.7 | -177.2 | -55.8 | -28.4 | 0 | 0 | 0 | 113.9 | H198 | H198-D200 VanDerWaalsContact CE1-CG 3.5Å; H198-D200 IonicContact CE1-OD1 3.21Å; H198-D200 IonicContact CE1-OD2 2.96Å; H198-D200 PolarHBondContact CE1-OD2 3.11Å; H198-D200 PolarHBondContact ND1-N 2.94Å; H198-D200 IonicContact ND1-OD2 3.46Å; H198-D200 PolarHBondContact ND1-OD2 3.02Å; H198-D200 PolarHBondContact O-N 2.96Å |
| 201 | M | 89.3 | Confident | 89.6 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -92.5 | -8.9 | -174.1 | -164.9 | 74.4 | -109.2 | 0 | 0 | 111.8 | F155 K157 V176 V179 H198 L199 T203 E204 L205 | F155-M201 HydrophobicContact CB-CG 3.92Å; K157-M201 HydrophobicContact CB-SD 4.35Å; V176-M201 HydrophobicContact CG2-CE 4.21Å; V179-M201 HydrophobicContact CG2-CE 4.47Å; H198-M201 PolarHBondContact O-N 2.89Å; L199-M201 PolarHBondContact O-N 2.79Å; M201-T203 VanDerWaalsContact C-N 3.28Å; M201-T203 PolarHBondContact O-N 3.09Å; M201-E204 HydrophobicContact CE-CB 3.26Å; M201-E204 HydrophobicContact CE-CG 3.68Å; M201-E204 WeakPolarHBondContact CE-OE2 3.48Å; M201-E204 PolarHBondContact O-N 3.37Å; M201-L205 HydrophobicContact CG-CD2 4.47Å; M201-L205 HydrophobicContact CG-CG 4.37Å; M201-L205 WeakPolarHBondContact O-CG 3.33Å; M201-L205 PolarHBondContact O-N 3.03Å |
| 202 | G | 85.1 | Confident | 89.5 | Confident | 24 Ų | 24 | 46 Ų | 46 | 25% | 0.247 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -31.7 | -172 | 0 | 0 | 0 | 0 | 0 | 114.6 | L199 | L199-G202 PolarHBondContact O-N 3.36Š|
| 203 | T | 87.8 | Confident | 89.3 | Confident | 102 Ų | 102 | 53.6 Ų | 53.6 | 63% | 0.626 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -39.1 | -179.7 | 52.1 | 0 | 0 | 0 | 0 | 112.7 | M201 L205 N206 | M201-T203 VanDerWaalsContact C-N 3.28Å; M201-T203 PolarHBondContact O-N 3.09Å; T203-L205 VanDerWaalsContact C-N 3.34Å; T203-N206 WeakPolarHBondContact O-CB 3.38Å; T203-N206 PolarHBondContact O-ND2 3.09Å |
| 204 | E | 88.4 | Confident | 89 | Confident | 57 Ų | 57 | 58.9 Ų | 58.9 | 27% | 0.266 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -15.2 | -176 | -50.3 | -175.9 | -165.2 | 0 | 0 | 112.5 | V176 M201 N206 P207 | V176-E204 VanDerWaalsContact CG1-OE2 3.32Å; V176-E204 WeakPolarHBondContact CG1-OE2 3.21Å; V176-E204 WeakPolarHBondContact CG2-OE2 3.46Å; M201-E204 HydrophobicContact CE-CB 3.26Å; M201-E204 HydrophobicContact CE-CG 3.68Å; M201-E204 WeakPolarHBondContact CE-OE2 3.48Å; M201-E204 PolarHBondContact O-N 3.37Å; E204-N206 VanDerWaalsContact C-N 3.28Å; E204-N206 PolarHBondContact O-N 3.41Å; E204-P207 WeakPolarHBondContact O-CD 3.34Å |
| 205 | L | 88.5 | Confident | 88.8 | Confident | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -14 | 173.3 | -68.3 | -171.7 | 0 | 0 | 0 | 113.7 | F155 V179 C197 M201 T203 P207 L208 F216 P217 | F155-L205 HydrophobicContact CB-CD1 4.18Å; F155-L205 HydrophobicContact CB-CD2 4.22Å; F155-L205 HydrophobicContact CD1-CD2 3.69Å; F155-L205 HydrophobicContact CD2-CD1 3.84Å; F155-L205 HydrophobicContact CD2-CD2 3.95Å; F155-L205 HydrophobicContact CE1-CD2 3.88Å; F155-L205 HydrophobicContact CE2-CD1 4.39Å; F155-L205 HydrophobicContact CE2-CD2 4.13Å; F155-L205 HydrophobicContact CG-CD1 4.08Å; F155-L205 HydrophobicContact CG-CD2 3.71Å; F155-L205 HydrophobicContact CZ-CD2 4.08Å; V179-L205 HydrophobicContact CG2-CD2 3.61Å; C197-L205 HydrophobicContact CB-CD1 3.72Å; C197-L205 WeakPolarHBondContact SG-CD1 3.2Å; M201-L205 HydrophobicContact CG-CD2 4.47Å; M201-L205 HydrophobicContact CG-CG 4.37Å; M201-L205 WeakPolarHBondContact O-CG 3.33Å; M201-L205 PolarHBondContact O-N 3.03Å; T203-L205 VanDerWaalsContact C-N 3.34Å; L205-P207 VanDerWaalsContact C-N 3.34Å; L205-L208 HydrophobicContact CD2-CD1 3.58Å; L205-L208 VanDerWaalsContact O-CB 3.3Å; L205-L208 WeakPolarHBondContact O-CB 3.12Å; L205-L208 PolarHBondContact O-N 2.92Å; L205-F216 HydrophobicContact CB-CE2 4.08Å; L205-F216 HydrophobicContact CB-CZ 4.26Å; L205-F216 WeakPolarHBondContact O-CE2 3.46Å; L205-P217 HydrophobicContact CD1-CG 3.58Å |
| 206 | N | 89.8 | Confident | 88.7 | Confident | 81 Ų | 81 | 60 Ų | 60 | 43% | 0.433 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -50.5 | -41.6 | -176.1 | -76.6 | -35.6 | 0 | 0 | 0 | 114.9 | T203 E204 L208 R209 | T203-N206 WeakPolarHBondContact O-CB 3.38Å; T203-N206 PolarHBondContact O-ND2 3.09Å; E204-N206 VanDerWaalsContact C-N 3.28Å; E204-N206 PolarHBondContact O-N 3.41Å; N206-L208 PolarHBondContact O-N 2.98Å; N206-R209 WeakPolarHBondContact O-CB 3.49Å; N206-R209 PolarHBondContact O-N 3.47Å; N206-R209 PolarHBondContact OD1-NH2 2.72Å |
| 207 | P | 88.7 | Confident | 88.5 | Confident | 79 Ų | 79 | 60 Ų | 60 | 51% | 0.513 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -61.2 | -25.9 | 176.4 | -23.3 | 35.6 | 0 | 0 | 0 | 113.9 | L183 E204 L205 R209 | L183-P207 HydrophobicContact CD1-CB 4.39Å; L183-P207 HydrophobicContact CD2-CB 4.26Å; E204-P207 WeakPolarHBondContact O-CD 3.34Å; L205-P207 VanDerWaalsContact C-N 3.34Å; P207-R209 VanDerWaalsContact C-N 3.3Å; P207-R209 PolarHBondContact O-N 2.95Å |
| 208 | L | 89.2 | Confident | 88.1 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -78.2 | -14.2 | -179 | -65.2 | 164.5 | 0 | 0 | 0 | 113.4 | F155 V179 I182 L183 L205 N206 G210 I211 M212 | F155-L208 HydrophobicContact CE1-CD1 4.37Å; F155-L208 HydrophobicContact CZ-CD1 4.21Å; V179-L208 HydrophobicContact CB-CD1 3.98Å; V179-L208 HydrophobicContact CG1-CD1 3.6Å; V179-L208 HydrophobicContact CG1-CD2 4.33Å; V179-L208 HydrophobicContact CG1-CG 3.9Å; V179-L208 HydrophobicContact CG2-CD1 3.73Å; I182-L208 HydrophobicContact CB-CD2 3.78Å; I182-L208 HydrophobicContact CG2-CD2 3.5Å; L183-L208 HydrophobicContact CD2-CD2 4.12Å; L183-L208 HydrophobicContact CG-CD2 4.03Å; L205-L208 HydrophobicContact CD2-CD1 3.58Å; L205-L208 VanDerWaalsContact O-CB 3.3Å; L205-L208 WeakPolarHBondContact O-CB 3.12Å; L205-L208 PolarHBondContact O-N 2.92Å; N206-L208 PolarHBondContact O-N 2.98Å; L208-G210 PolarHBondContact O-N 3.44Å; L208-I211 PolarHBondContact O-N 3.32Å; L208-M212 HydrophobicContact CB-CE 3.52Å; L208-M212 HydrophobicContact CD1-CE 3.7Å; L208-M212 HydrophobicContact CD2-CE 4.41Å; L208-M212 HydrophobicContact CG-CE 4.07Å; L208-M212 PolarHBondContact O-N 3.19Å |
| 209 | R | 87.7 | Confident | 87.7 | Confident | 146 Ų | 146 | 71.5 Ų | 71.5 | 55% | 0.551 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -56.1 | -38.9 | -177.6 | -173.2 | 177 | -69.4 | 171.7 | 2.7 | 112.6 | N206 P207 K213 F216 | N206-R209 WeakPolarHBondContact O-CB 3.49Å; N206-R209 PolarHBondContact O-N 3.47Å; N206-R209 PolarHBondContact OD1-NH2 2.72Å; P207-R209 VanDerWaalsContact C-N 3.3Å; P207-R209 PolarHBondContact O-N 2.95Å; R209-K213 PolarHBondContact O-N 2.97Å; R209-F216 HydrophobicContact CB-CD2 4.09Å; R209-F216 HydrophobicContact CB-CE2 4.08Å |
| 210 | G | 86.5 | Confident | 87.2 | Confident | 57 Ų | 57 | 75.1 Ų | 75.1 | 59% | 0.588 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -68.7 | -33 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | L208 | L208-G210 PolarHBondContact O-N 3.44Å |
| 211 | I | 88.3 | Confident | 86.8 | Confident | 79 Ų | 79 | 73 Ų | 73 | 41% | 0.405 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -86.2 | -46.8 | -177 | -42.5 | -177.8 | 0 | 0 | 0 | 110.6 | L183 I189 L208 | L183-I211 HydrophobicContact CD2-CD1 3.6Å; I189-I211 HydrophobicContact CD1-CB 4.04Å; I189-I211 HydrophobicContact CD1-CG2 3.14Å; L208-I211 PolarHBondContact O-N 3.32Å |
| 212 | M | 85.5 | Confident | 86.6 | Confident | 4 Ų | 4 | 74.6 Ų | 74.6 | 2% | 0.02 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -84.7 | -7.2 | -174.7 | -70.4 | -158.9 | -76.6 | 0 | 0 | 114.9 | L153 F155 I189 L208 K214 K215 F216 | L153-M212 HydrophobicContact CD2-SD 4.36Å; F155-M212 HydrophobicContact CE2-CE 3.93Å; F155-M212 HydrophobicContact CZ-CE 3.85Å; I189-M212 HydrophobicContact CD1-CG 4.15Å; I189-M212 HydrophobicContact CG1-CG 4.44Å; I189-M212 HydrophobicContact CG2-CG 3.96Å; L208-M212 HydrophobicContact CB-CE 3.52Å; L208-M212 HydrophobicContact CD1-CE 3.7Å; L208-M212 HydrophobicContact CD2-CE 4.41Å; L208-M212 HydrophobicContact CG-CE 4.07Å; L208-M212 PolarHBondContact O-N 3.19Å; M212-K214 PolarHBondContact O-N 2.87Å; M212-K215 WeakPolarHBondContact O-CA 3.3Å; M212-K215 WeakPolarHBondContact O-CB 3.41Å; M212-K215 PolarHBondContact O-N 3.07Å; M212-F216 HydrophobicContact CB-CB 4.27Å; M212-F216 PolarHBondContact O-N 3.37Å |
| 213 | K | 85.7 | Confident | 86.8 | Confident | 167 Ų | 167 | 73.5 Ų | 73.5 | 73% | 0.726 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | 33 | -103.9 | 172.8 | -61.8 | -176.3 | -178.4 | 176.4 | 0 | 114.3 | R209 F216 | R209-K213 PolarHBondContact O-N 2.97Å; K213-F216 WeakPolarHBondContact O-CB 3.23Å; K213-F216 PolarHBondContact O-N 3.44Å |
| 214 | K | 83.8 | Confident | 86.9 | Confident | 177 Ų | 177 | 71 Ų | 71 | 77% | 0.77 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -72.3 | -24.7 | -177.7 | -63.2 | -173.2 | 179.1 | -174.3 | 0 | 114.1 | M212 F216 | M212-K214 PolarHBondContact O-N 2.87Å; K214-F216 VanDerWaalsContact C-N 3.34Å |
| 215 | K | 86.7 | Confident | 87.1 | Confident | 54 Ų | 54 | 69.2 Ų | 69.2 | 24% | 0.235 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -87.9 | -5 | -178.8 | -58 | 174.5 | 172.7 | -159.5 | 0 | 112.4 | I189 D190 V192 S195 M212 | I189-K215 HydrophobicContact CG2-CD 4.04Å; I189-K215 WeakPolarHBondContact O-CD 3.31Å; I189-K215 PolarHBondContact O-NZ 3.42Å; D190-K215 VanDerWaalsContact C-NZ 3.26Å; D190-K215 PolarHBondContact O-NZ 3.18Å; V192-K215 WeakPolarHBondContact O-CD 3.3Å; V192-K215 WeakPolarHBondContact O-CE 3.12Å; V192-K215 PolarHBondContact O-NZ 3.26Å; S195-K215 PolarHBondContact OG-O 3.35Å; M212-K215 WeakPolarHBondContact O-CA 3.3Å; M212-K215 WeakPolarHBondContact O-CB 3.41Å; M212-K215 PolarHBondContact O-N 3.07Å |
| 216 | F | 89.2 | Confident | 87.2 | Confident | 20 Ų | 20 | 74.2 Ų | 74.2 | 9% | 0.088 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -64.2 | 138.3 | 178.8 | -176.3 | -92.4 | 0 | 0 | 0 | 110.9 | L205 R209 M212 K213 K214 S218 | L205-F216 HydrophobicContact CB-CE2 4.08Å; L205-F216 HydrophobicContact CB-CZ 4.26Å; L205-F216 WeakPolarHBondContact O-CE2 3.46Å; R209-F216 HydrophobicContact CB-CD2 4.09Å; R209-F216 HydrophobicContact CB-CE2 4.08Å; M212-F216 HydrophobicContact CB-CB 4.27Å; M212-F216 PolarHBondContact O-N 3.37Å; K213-F216 WeakPolarHBondContact O-CB 3.23Å; K213-F216 PolarHBondContact O-N 3.44Å; K214-F216 VanDerWaalsContact C-N 3.34Å; F216-S218 PolarHBondContact O-N 2.94Å; F216-S218 PolarHBondContact O-OG 2.9Å |
| 217 | P | 88.5 | Confident | 87.3 | Confident | 2 Ų | 2 | 74.5 Ų | 74.5 | 1% | 0.013 | 38% | 0.378 | C | S | . | . | trans | -67.2 | 110.6 | -178.9 | 25.9 | -27 | 0 | 0 | 0 | 108.9 | S195 C197 L205 A223 I224 | S195-P217 WeakPolarHBondContact OG-CD 3.41Å; C197-P217 HydrophobicContact CB-CB 3.97Å; C197-P217 HydrophobicContact CB-CG 3.96Å; L205-P217 HydrophobicContact CD1-CG 3.58Å; P217-A223 HydrophobicContact CB-CB 3.94Å; P217-I224 HydrophobicContact CB-CG1 4.37Å | ||
| 218 | S | 86.5 | Confident | 87.5 | Confident | 43 Ų | 43 | 70.9 Ų | 70.9 | 30% | 0.301 | 36% | 0.355 | S | S | . | . | trans | -102.2 | 133 | -175.8 | -67.4 | 0 | 0 | 0 | 0 | 110.8 | F216 K220 M221 G222 A223 | F216-S218 PolarHBondContact O-N 2.94Å; F216-S218 PolarHBondContact O-OG 2.9Å; S218-K220 PolarHBondContact O-N 2.75Å; S218-M221 PolarHBondContact O-N 3.11Å; S218-G222 PolarHBondContact O-N 3.17Å; S218-A223 PolarHBondContact O-N 3.44Å | ||
| 219 | R | 84.5 | Confident | 87.6 | Confident | 219 Ų | 219 | 71.7 Ų | 71.7 | 83% | 0.826 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -58.1 | -35.4 | 174.2 | -168.5 | 175.3 | -178.2 | -179.1 | -0 | 112.1 | M221 G222 I224 | R219-M221 VanDerWaalsContact C-N 3.27Å; R219-M221 PolarHBondContact O-N 2.61Å; R219-G222 PolarHBondContact O-N 2.84Å; R219-I224 HydrophobicContact CB-CD1 4.27Å |
| 220 | K | 81.2 | Confident | 87.8 | Confident | 182 Ų | 182 | 67.1 Ų | 67.1 | 79% | 0.791 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -62.5 | -31 | 176.6 | -65.6 | -170.8 | 177.9 | -170 | 0 | 113.6 | S218 G222 | S218-K220 PolarHBondContact O-N 2.75Å; K220-G222 VanDerWaalsContact C-N 3.28Å |
| 221 | M | 82 | Confident | 88.1 | Confident | 38 Ų | 38 | 65.7 Ų | 65.7 | 19% | 0.187 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -84.1 | -3.9 | 174.9 | -71.7 | 173.8 | 49.7 | 0 | 0 | 112.4 | Y194 S218 R219 A223 F235 | Y194-M221 HydrophobicContact CD1-CE 4.07Å; Y194-M221 HydrophobicContact CE1-CE 4.22Å; S218-M221 PolarHBondContact O-N 3.11Å; R219-M221 VanDerWaalsContact C-N 3.27Å; R219-M221 PolarHBondContact O-N 2.61Å; M221-A223 VanDerWaalsContact C-N 3.26Å; M221-A223 PolarHBondContact O-N 2.95Å; M221-F235 HydrophobicContact CE-CE1 3.86Å; M221-F235 HydrophobicContact CE-CZ 4.31Å |
| 222 | G | 84.3 | Confident | 88.3 | Confident | 35 Ų | 35 | 61.9 Ų | 61.9 | 36% | 0.361 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.5 | 16.6 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114 | S218 R219 K220 I224 L231 | S218-G222 PolarHBondContact O-N 3.17Å; R219-G222 PolarHBondContact O-N 2.84Å; K220-G222 VanDerWaalsContact C-N 3.28Å; G222-I224 PolarHBondContact O-N 3.12Å; G222-L231 WeakPolarHBondContact O-CD2 3.46Å |
| 223 | A | 89.2 | Confident | 88.5 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 34% | 0.34 | C | S | . | . | trans | -76.6 | -1.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | V196 C197 P217 S218 M221 F235 | V196-A223 WeakPolarHBondContact CA-O 3.5Å; C197-A223 PolarHBondContact N-O 2.83Å; P217-A223 HydrophobicContact CB-CB 3.94Å; S218-A223 PolarHBondContact O-N 3.44Å; M221-A223 VanDerWaalsContact C-N 3.26Å; M221-A223 PolarHBondContact O-N 2.95Å; A223-F235 HydrophobicContact CB-CE2 4Å; A223-F235 HydrophobicContact CB-CZ 3.65Å | ||
| 224 | I | 91.6 | Very high | 88.7 | Confident | 51 Ų | 51 | 62.4 Ų | 62.4 | 26% | 0.262 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 122.7 | -179.3 | -55 | 173.8 | 0 | 0 | 0 | 107.9 | C197 L199 P217 R219 G222 | C197-I224 HydrophobicContact CB-CG1 4.24Å; C197-I224 WeakPolarHBondContact O-CA 3.07Å; L199-I224 HydrophobicContact CD1-CG2 4.23Å; P217-I224 HydrophobicContact CB-CG1 4.37Å; R219-I224 HydrophobicContact CB-CD1 4.27Å; G222-I224 PolarHBondContact O-N 3.12Å |
| 225 | G | 90.9 | Very high | 89.1 | Confident | 19 Ų | 19 | 54 Ų | 54 | 20% | 0.196 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.6 | -178.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | C197 H198 L199 | C197-G225 PolarHBondContact O-N 2.91Å; H198-G225 WeakPolarHBondContact CA-O 3.48Å; H198-G225 PolarHBondContact CD2-O 3.37Å; L199-G225 PolarHBondContact N-O 2.74Å; L199-G225 VanDerWaalsContact N-O 3.08Å |
| 226 | T | 91.4 | Very high | 89.2 | Confident | 105 Ų | 105 | 54.6 Ų | 54.6 | 64% | 0.644 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -85.1 | -42 | -178.2 | 48.2 | 0 | 0 | 0 | 0 | 112.1 | H198 L199 I228 | H198-T226 PolarHBondContact CD2-O 3.42Å; H198-T226 PolarHBondContact NE2-O 2.96Å; L199-T226 HydrophobicContact CD2-CG2 4.41Å; T226-I228 PolarHBondContact O-N 2.8Å |
| 227 | D | 91.7 | Very high | 89.2 | Confident | 87 Ų | 87 | 55.5 Ų | 55.5 | 47% | 0.465 | 29% | 0.294 | S | S | . | . | trans | -90.5 | 98.8 | 175.8 | -174.7 | -7.1 | 0 | 0 | 0 | 110.9 | A229 A230 L231 | D227-A229 VanDerWaalsContact C-N 3.33Å; D227-A229 PolarHBondContact O-N 3.2Å; D227-A229 PolarHBondContact OD1-N 3.33Å; D227-A230 HydrophobicContact CB-CB 4.14Å; D227-A230 PolarHBondContact OD1-N 3.35Å; D227-A230 VanDerWaalsContact OD1-N 3.11Å; D227-A230 VanDerWaalsContact OD2-CB 3.26Å; D227-A230 WeakPolarHBondContact OD2-CB 3.26Å; D227-L231 VanDerWaalsContact O-CG 3.22Å; D227-L231 WeakPolarHBondContact O-CG 3.37Å; D227-L231 PolarHBondContact O-N 2.86Å | ||
| 228 | I | 92.2 | Very high | 89.2 | Confident | 4 Ų | 4 | 55.4 Ų | 55.4 | 2% | 0.021 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -69.3 | -29.6 | 179.1 | -159.9 | 162.5 | 0 | 0 | 0 | 112.9 | A154 A156 A161 A165 V196 T226 L231 V232 | A154-I228 HydrophobicContact CB-CD1 3.99Å; A154-I228 HydrophobicContact CB-CG1 4.43Å; A156-I228 HydrophobicContact CB-CD1 3.79Å; A161-I228 HydrophobicContact CB-CG2 4.14Å; A161-I228 VanDerWaalsContact O-CG2 3.28Å; A161-I228 WeakPolarHBondContact O-CG2 3.38Å; A165-I228 HydrophobicContact CB-CD1 4.07Å; A165-I228 HydrophobicContact CB-CG1 4.04Å; A165-I228 HydrophobicContact CB-CG2 3.98Å; V196-I228 HydrophobicContact CG1-CG1 4.15Å; T226-I228 PolarHBondContact O-N 2.8Å; I228-L231 PolarHBondContact O-N 2.94Å; I228-V232 HydrophobicContact CG1-CG2 4.44Å; I228-V232 WeakPolarHBondContact O-CG2 3.29Å; I228-V232 PolarHBondContact O-N 3.01Å |
| 229 | A | 92.5 | Very high | 89.2 | Confident | 17 Ų | 17 | 53.9 Ų | 53.9 | 14% | 0.14 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -73 | -43.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | L164 A168 D227 L231 V232 K233 | L164-A229 HydrophobicContact CB-CB 4.37Å; A168-A229 HydrophobicContact CB-CB 4.18Å; D227-A229 VanDerWaalsContact C-N 3.33Å; D227-A229 PolarHBondContact O-N 3.2Å; D227-A229 PolarHBondContact OD1-N 3.33Å; A229-L231 VanDerWaalsContact C-N 3.32Å; A229-V232 PolarHBondContact O-N 3.41Å; A229-K233 WeakPolarHBondContact O-CG 3.28Å; A229-K233 PolarHBondContact O-N 3.47Å |
| 230 | A | 91.7 | Very high | 89.3 | Confident | 49 Ų | 49 | 45 Ų | 45 | 41% | 0.405 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.6 | -40.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | D227 K233 H234 | D227-A230 HydrophobicContact CB-CB 4.14Å; D227-A230 PolarHBondContact OD1-N 3.35Å; D227-A230 VanDerWaalsContact OD1-N 3.11Å; D227-A230 VanDerWaalsContact OD2-CB 3.26Å; D227-A230 WeakPolarHBondContact OD2-CB 3.26Å; A230-K233 PolarHBondContact O-N 3.07Å; A230-H234 WeakPolarHBondContact O-CB 3.15Å; A230-H234 PolarHBondContact O-N 3.38Å |
| 231 | L | 91.7 | Very high | 89.6 | Confident | 27 Ų | 27 | 36.5 Ų | 36.5 | 14% | 0.141 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.1 | -48.7 | 175.2 | -71 | 175 | 0 | 0 | 0 | 111.8 | V196 G222 D227 I228 A229 K233 H234 F235 | V196-L231 HydrophobicContact CG1-CB 3.52Å; V196-L231 HydrophobicContact CG1-CD1 3.8Å; V196-L231 HydrophobicContact CG1-CG 4.31Å; G222-L231 WeakPolarHBondContact O-CD2 3.46Å; D227-L231 VanDerWaalsContact O-CG 3.22Å; D227-L231 WeakPolarHBondContact O-CG 3.37Å; D227-L231 PolarHBondContact O-N 2.86Å; I228-L231 PolarHBondContact O-N 2.94Å; A229-L231 VanDerWaalsContact C-N 3.32Å; L231-K233 VanDerWaalsContact C-N 3.32Å; L231-K233 PolarHBondContact O-N 2.83Å; L231-H234 WeakPolarHBondContact O-CA 3.08Å; L231-H234 WeakPolarHBondContact O-CB 3.3Å; L231-H234 PolarHBondContact O-N 3.34Å; L231-H234 VanDerWaalsContact O-N 3.09Å; L231-F235 VanDerWaalsContact O-CD2 3.28Å; L231-F235 WeakPolarHBondContact O-CD2 3.47Å; L231-F235 PolarHBondContact O-N 2.9Å |
| 232 | V | 93 | Very high | 89.8 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57.5 | -46.8 | 177.8 | 170.8 | 0 | 0 | 0 | 0 | 110.4 | A154 A165 A168 A170 I228 A229 H234 F235 I236 | A154-V232 HydrophobicContact CB-CG2 4.3Å; A165-V232 HydrophobicContact CB-CG2 4.33Å; A168-V232 HydrophobicContact CB-CB 3.93Å; A168-V232 HydrophobicContact CB-CG1 3.79Å; A170-V232 HydrophobicContact CB-CG1 4.19Å; A170-V232 HydrophobicContact CB-CG2 4.18Å; I228-V232 HydrophobicContact CG1-CG2 4.44Å; I228-V232 WeakPolarHBondContact O-CG2 3.29Å; I228-V232 PolarHBondContact O-N 3.01Å; A229-V232 PolarHBondContact O-N 3.41Å; V232-H234 VanDerWaalsContact C-N 3.31Å; V232-H234 PolarHBondContact O-N 2.75Å; V232-F235 PolarHBondContact O-N 3.06Å; V232-F235 VanDerWaalsContact O-N 3.11Å; V232-I236 HydrophobicContact CG1-CD1 3.8Å; V232-I236 HydrophobicContact CG1-CG1 4.4Å; V232-I236 VanDerWaalsContact O-CG1 3.3Å; V232-I236 WeakPolarHBondContact O-CG1 3.41Å; V232-I236 PolarHBondContact O-N 3.22Å |
| 233 | K | 91.1 | Very high | 90 | Very high | 129 Ų | 129 | 37.3 Ų | 37.3 | 56% | 0.561 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -58.7 | -41.4 | 175.6 | -73.1 | 176.1 | -178.6 | 175.8 | 0 | 112.4 | A168 A229 A230 L231 I236 S237 | A168-K233 HydrophobicContact CB-CG 4.42Å; A229-K233 WeakPolarHBondContact O-CG 3.28Å; A229-K233 PolarHBondContact O-N 3.47Å; A230-K233 PolarHBondContact O-N 3.07Å; L231-K233 VanDerWaalsContact C-N 3.32Å; L231-K233 PolarHBondContact O-N 2.83Å; K233-I236 PolarHBondContact O-N 3.03Å; K233-S237 PolarHBondContact O-N 2.89Å; K233-S237 PolarHBondContact O-OG 2.82Å |
| 234 | H | 90 | Very high | 89.9 | Confident | 52 Ų | 52 | 41.3 Ų | 41.3 | 24% | 0.241 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.9 | -41.2 | 175.1 | 179 | 87.2 | 0 | 0 | 0 | 112.1 | L137 A139 A230 L231 V232 G238 | L137-H234 WeakPolarHBondContact CD2-O 3.22Å; A139-H234 WeakPolarHBondContact CB-CE1 3.2Å; A139-H234 WeakPolarHBondContact CB-ND1 3.28Å; A139-H234 PolarHBondContact N-CE1 3.35Å; A139-H234 VanDerWaalsContact N-CE1 3.27Å; A230-H234 WeakPolarHBondContact O-CB 3.15Å; A230-H234 PolarHBondContact O-N 3.38Å; L231-H234 WeakPolarHBondContact O-CA 3.08Å; L231-H234 WeakPolarHBondContact O-CB 3.3Å; L231-H234 PolarHBondContact O-N 3.34Å; L231-H234 VanDerWaalsContact O-N 3.09Å; V232-H234 VanDerWaalsContact C-N 3.31Å; V232-H234 PolarHBondContact O-N 2.75Å; H234-G238 WeakPolarHBondContact O-CA 3.44Å; H234-G238 PolarHBondContact O-N 2.69Å |
| 235 | F | 90.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -71.4 | -31 | 177.5 | -84.1 | -87.4 | 0 | 0 | 0 | 113.6 | L137 R150 I152 Y194 V196 M221 A223 L231 V232 | L137-F235 VanDerWaalsContact CD2-CA 3.49Å; L137-F235 HydrophobicContact CD2-CB 4.29Å; L137-F235 HydrophobicContact CD2-CD1 3.68Å; L137-F235 HydrophobicContact CD2-CE1 4.07Å; L137-F235 HydrophobicContact CD2-CG 4Å; R150-F235 PolarHBondContact NH1-O 3.43Å; I152-F235 HydrophobicContact CD1-CB 3.81Å; Y194-F235 AromaticContact CD1-CD1 3.8Å; Y194-F235 HydrophobicContact CD1-CD1 3.8Å; Y194-F235 AromaticContact CD1-CE1 3.87Å; Y194-F235 HydrophobicContact CD1-CE1 3.87Å; Y194-F235 AromaticContact CG-CD1 3.78Å; Y194-F235 HydrophobicContact CG-CD1 3.78Å; Y194-F235 HydrophobicContact CG-CE1 4.29Å; V196-F235 HydrophobicContact CG2-CB 4.37Å; V196-F235 HydrophobicContact CG2-CD2 3.52Å; V196-F235 HydrophobicContact CG2-CE2 4Å; V196-F235 HydrophobicContact CG2-CG 3.92Å; M221-F235 HydrophobicContact CE-CE1 3.86Å; M221-F235 HydrophobicContact CE-CZ 4.31Å; A223-F235 HydrophobicContact CB-CE2 4Å; A223-F235 HydrophobicContact CB-CZ 3.65Å; L231-F235 VanDerWaalsContact O-CD2 3.28Å; L231-F235 WeakPolarHBondContact O-CD2 3.47Å; L231-F235 PolarHBondContact O-N 2.9Å; V232-F235 PolarHBondContact O-N 3.06Å; V232-F235 VanDerWaalsContact O-N 3.11Å |
| 236 | I | 89.8 | Confident | 89.1 | Confident | 67 Ų | 67 | 39 Ų | 39 | 34% | 0.344 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -70.1 | -54.9 | 173.1 | -65.5 | 169.6 | 0 | 0 | 0 | 110.2 | H146 I152 A168 V232 K233 | H146-I236 PolarHBondContact CE1-O 3.16Å; I152-I236 HydrophobicContact CD1-CB 4.37Å; I152-I236 HydrophobicContact CD1-CD1 4.31Å; I152-I236 HydrophobicContact CD1-CG1 3.33Å; A168-I236 VanDerWaalsContact O-CD1 3.23Å; A168-I236 WeakPolarHBondContact O-CD1 3.28Å; V232-I236 HydrophobicContact CG1-CD1 3.8Å; V232-I236 HydrophobicContact CG1-CG1 4.4Å; V232-I236 VanDerWaalsContact O-CG1 3.3Å; V232-I236 WeakPolarHBondContact O-CG1 3.41Å; V232-I236 PolarHBondContact O-N 3.22Å; K233-I236 PolarHBondContact O-N 3.03Å |
| 237 | S | 88.5 | Confident | 88.6 | Confident | 40 Ų | 40 | 38.7 Ų | 38.7 | 28% | 0.28 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -80.4 | -23.6 | -173.7 | 67 | 0 | 0 | 0 | 0 | 113.8 | K233 | K233-S237 PolarHBondContact O-N 2.89Å; K233-S237 PolarHBondContact O-OG 2.82Å |
| 238 | G | 88 | Confident | 88 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -66.9 | 155.4 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | I138 R150 H234 | I138-G238 CarbonylContact O-C 3.51Å; I138-G238 WeakPolarHBondContact O-CA 3.42Å; R150-G238 VanDerWaalsContact CZ-O 3.32Å; R150-G238 PolarHBondContact NH1-O 3.24Å; R150-G238 PolarHBondContact NH2-O 3.49Å; R150-G238 VanDerWaalsContact NH2-O 3.09Å; H234-G238 WeakPolarHBondContact O-CA 3.44Å; H234-G238 PolarHBondContact O-N 2.69Å | ||
| 239 | I | 87.8 | Confident | 87.5 | Confident | 10 Ų | 10 | 42 Ų | 42 | 5% | 0.051 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 124.9 | -175.4 | -54.4 | -168.1 | 0 | 0 | 0 | 108.2 | L137 I138 M140 F144 V258 | L137-I239 WeakPolarHBondContact CA-O 3.33Å; I138-I239 PolarHBondContact N-O 2.85Å; I138-I239 PolarHBondContact O-N 3.47Å; M140-I239 HydrophobicContact CB-CD1 4.48Å; M140-I239 HydrophobicContact CE-CB 4.07Å; M140-I239 HydrophobicContact CE-CD1 3.77Å; M140-I239 HydrophobicContact CE-CG1 4.24Å; M140-I239 HydrophobicContact CE-CG2 4.46Å; M140-I239 HydrophobicContact CG-CD1 3.35Å; M140-I239 HydrophobicContact CG-CG1 3.85Å; M140-I239 HydrophobicContact SD-CD1 4.41Å; F144-I239 HydrophobicContact CD1-CD1 4.41Å; F144-I239 HydrophobicContact CE1-CD1 3.28Å; F144-I239 HydrophobicContact CE2-CD1 4.38Å; F144-I239 HydrophobicContact CZ-CD1 3.26Å; F144-I239 HydrophobicContact CZ-CG1 4.47Å; I239-V258 WeakPolarHBondContact CD1-O 3.49Å; I239-V258 WeakPolarHBondContact CG2-O 3.5Å |
| 240 | A | 86.1 | Confident | 86.7 | Confident | 34 Ų | 34 | 44.1 Ų | 44.1 | 28% | 0.281 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 128.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | L137 | L137-A240 HydrophobicContact CD1-CB 4.21Å |
| 241 | F | 87.8 | Confident | 86.2 | Confident | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.009 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 148 | 166.1 | 78.2 | -75.7 | 0 | 0 | 0 | 109 | Y134 A135 S136 I138 Y276 R279 V280 L283 | Y134-F241 HydrophobicContact CD1-CE2 4.07Å; Y134-F241 HydrophobicContact CD1-CZ 4.01Å; Y134-F241 HydrophobicContact CE1-CE1 4.46Å; Y134-F241 HydrophobicContact CE1-CE2 4.21Å; Y134-F241 AromaticContact CE1-CZ 3.69Å; Y134-F241 HydrophobicContact CE1-CZ 3.69Å; A135-F241 WeakPolarHBondContact CA-O 3.11Å; S136-F241 VanDerWaalsContact CB-CE1 3.42Å; S136-F241 PolarHBondContact N-O 2.98Å; S136-F241 VanDerWaalsContact N-O 3.16Å; S136-F241 WeakPolarHBondContact O-CD1 3.06Å; S136-F241 PolarHBondContact O-N 3.36Å; I138-F241 HydrophobicContact CD1-CB 4.48Å; I138-F241 HydrophobicContact CD1-CD1 3.23Å; I138-F241 HydrophobicContact CD1-CE1 3.31Å; I138-F241 HydrophobicContact CD1-CG 3.86Å; I138-F241 HydrophobicContact CD1-CZ 4.02Å; I138-F241 HydrophobicContact CG1-CD1 3.36Å; I138-F241 HydrophobicContact CG1-CE1 3.3Å; I138-F241 HydrophobicContact CG1-CG 4.41Å; I138-F241 HydrophobicContact CG1-CZ 4.36Å; F241-Y276 HydrophobicContact CB-CE2 3.74Å; F241-Y276 HydrophobicContact CD2-CE2 4.33Å; F241-Y276 HydrophobicContact CG-CE2 4.08Å; F241-R279 HydrophobicContact CE1-CG 4.24Å; F241-R279 HydrophobicContact CZ-CG 4.16Å; F241-V280 HydrophobicContact CD2-CG2 4.22Å; F241-V280 HydrophobicContact CE2-CG2 4.1Å; F241-L283 HydrophobicContact CE2-CD1 3.61Å; F241-L283 HydrophobicContact CZ-CD1 3.81Å |
| 242 | E | 87.1 | Confident | 85.9 | Confident | 86 Ų | 86 | 45.9 Ų | 45.9 | 40% | 0.402 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 119.4 | 179.8 | -62.8 | -175.5 | 153.2 | 0 | 0 | 108.6 | Y134 A135 K244 | Y134-E242 CarbonylContact O-C 3.54Å; Y134-E242 WeakPolarHBondContact O-CA 3.48Å; A135-E242 HydrophobicContact CB-CG 4.14Å; E242-K244 HydrophobicContact CB-CG 4.46Å; E242-K244 PolarHBondContact O-N 3.23Å; E242-K244 WeakPolarHBondContact OE2-CE 3.41Å; E242-K244 IonicContact OE2-NZ 3.7Å; E242-K244 PolarHBondContact OE2-NZ 2.84Å |
| 243 | L | 87.3 | Confident | 85.6 | Confident | 5 Ų | 5 | 45.9 Ų | 45.9 | 3% | 0.026 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 108.1 | 166.1 | -177.9 | 71.1 | 0 | 0 | 0 | 108.4 | L124 M126 Y134 | L124-L243 HydrophobicContact CD1-CD1 3.05Å; L124-L243 HydrophobicContact CG-CD1 4.46Å; M126-L243 HydrophobicContact CE-CD2 3.66Å; M126-L243 HydrophobicContact SD-CD1 3.96Å; M126-L243 HydrophobicContact SD-CD2 3.92Å; M126-L243 HydrophobicContact SD-CG 4.33Å; Y134-L243 PolarHBondContact N-O 3.13Å; Y134-L243 PolarHBondContact O-N 2.98Å |
| 244 | K | 86.5 | Confident | 85.6 | Confident | 83 Ų | 83 | 39.9 Ų | 39.9 | 36% | 0.361 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 117 | 176.1 | -68.9 | 174.3 | -178.4 | 155.3 | 0 | 108.7 | I60 L133 E242 G253 V254 | I60-K244 HydrophobicContact CD1-CB 3.85Å; I60-K244 HydrophobicContact CD1-CD 4.35Å; L133-K244 HydrophobicContact CD1-CG 4.12Å; E242-K244 HydrophobicContact CB-CG 4.46Å; E242-K244 PolarHBondContact O-N 3.23Å; E242-K244 WeakPolarHBondContact OE2-CE 3.41Å; E242-K244 IonicContact OE2-NZ 3.7Å; E242-K244 PolarHBondContact OE2-NZ 2.84Å; K244-G253 CarbonylContact O-C 3.57Å; K244-G253 WeakPolarHBondContact O-CA 3.48Å; K244-V254 PolarHBondContact N-O 3.23Å; K244-V254 PolarHBondContact O-N 2.93Å |
| 245 | Q | 84.2 | Confident | 85.6 | Confident | 20 Ų | 20 | 37.4 Ų | 37.4 | 9% | 0.093 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 147.4 | 165.4 | -76.1 | 173 | -20.3 | 0 | 0 | 110.5 | M126 R130 W252 | M126-Q245 HydrophobicContact CG-CG 4.08Å; R130-Q245 PolarHBondContact O-NE2 3.28Å; R130-Q245 VanDerWaalsContact O-NE2 3.15Å; R130-Q245 PolarHBondContact O-OE1 3.18Å; Q245-W252 WeakPolarHBondContact CA-O 3.45Å |
| 246 | D | 83 | Confident | 85.7 | Confident | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.016 | 22% | 0.219 | C | C | . | . | trans | -72.1 | 145.7 | 177.1 | -173 | 48.3 | 0 | 0 | 0 | 111.6 | S59 I60 L248 N249 W252 | S59-D246 WeakPolarHBondContact CA-OD1 3.44Å; S59-D246 WeakPolarHBondContact CB-OD1 2.83Å; S59-D246 WeakPolarHBondContact CB-OD2 3.42Å; I60-D246 PolarHBondContact N-OD1 2.78Å; D246-L248 PolarHBondContact OD2-N 3.29Å; D246-N249 WeakPolarHBondContact CB-O 3.44Å; D246-N249 PolarHBondContact OD2-N 3.29Å; D246-W252 HydrophobicContact CB-CB 4.26Å; D246-W252 PolarHBondContact N-O 3.3Å | ||
| 247 | E | 80 | Confident | 85.8 | Confident | 98 Ų | 98 | 39.1 Ų | 39.1 | 46% | 0.458 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -82 | -29 | -177 | -69.4 | -175.4 | 173.7 | 0 | 0 | 112.5 | R57 | R57-E247 WeakPolarHBondContact CD-OE2 3.31Å; R57-E247 IonicContact CZ-OE1 2.85Å; R57-E247 IonicContact CZ-OE2 3.82Å; R57-E247 IonicContact NE-OE1 3.56Å; R57-E247 IonicContact NE-OE2 2.67Å; R57-E247 PolarHBondContact NE-OE2 3.5Å; R57-E247 IonicContact NH1-OE1 2.7Å; R57-E247 PolarHBondContact NH1-OE1 3.38Å; R57-E247 IonicContact NH1-OE2 2.93Å; R57-E247 PolarHBondContact NH1-OE2 3.37Å; R57-E247 IonicContact NH2-OE1 2.59Å; R57-E247 PolarHBondContact NH2-OE1 3.23Å; R57-E247 IonicContact NH2-OE2 3.87Å |
| 248 | L | 80.4 | Confident | 86 | Confident | 95 Ų | 95 | 38.5 Ų | 38.5 | 50% | 0.497 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -86.2 | -46 | 179.9 | -67.9 | 173.8 | 0 | 0 | 0 | 110.7 | D246 | D246-L248 PolarHBondContact OD2-N 3.29Š|
| 249 | N | 80 | Confident | 86.3 | Confident | 65 Ų | 65 | 38.5 Ų | 38.5 | 35% | 0.348 | 20% | 0.2 | S | C | . | . | trans | -118 | 96.8 | 179.4 | -68.4 | -40.2 | 0 | 0 | 0 | 111.1 | D246 T251 W252 | D246-N249 WeakPolarHBondContact CB-O 3.44Å; D246-N249 PolarHBondContact OD2-N 3.29Å; N249-T251 PolarHBondContact O-N 2.88Å; N249-T251 VanDerWaalsContact O-N 3.1Å; N249-W252 HydrophobicContact CB-CD2 3.66Å; N249-W252 HydrophobicContact CB-CE3 3.46Å; N249-W252 VanDerWaalsContact CB-CE3 3.46Å; N249-W252 HydrophobicContact CB-CG 4.2Å; N249-W252 HydrophobicContact CB-CH2 4.41Å; N249-W252 HydrophobicContact CB-CZ3 3.92Å; N249-W252 WeakPolarHBondContact ND2-CH2 3.39Å; N249-W252 WeakPolarHBondContact ND2-CZ3 3.25Å; N249-W252 PolarHBondContact O-N 3.2Å | ||
| 250 | P | 76.7 | Confident | 86.6 | Confident | 62 Ų | 62 | 38 Ų | 38 | 40% | 0.403 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -19.5 | -175.9 | 25.9 | -34.4 | 0 | 0 | 0 | 113.9 | W252 | P250-W252 PolarHBondContact O-N 2.92Š|
| 251 | T | 80.9 | Confident | 86.9 | Confident | 64 Ų | 64 | 38.7 Ų | 38.7 | 39% | 0.393 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -24.9 | 172.5 | -49.1 | 0 | 0 | 0 | 0 | 112.3 | N125 M126 Q127 N249 | N125-T251 WeakPolarHBondContact OD1-CG2 3.15Å; N125-T251 PolarHBondContact OD1-O 2.91Å; M126-T251 PolarHBondContact N-O 2.9Å; Q127-T251 HydrophobicContact CG-CG2 4.24Å; Q127-T251 PolarHBondContact N-O 3.33Å; N249-T251 PolarHBondContact O-N 2.88Å; N249-T251 VanDerWaalsContact O-N 3.1Å |
| 252 | W | 85.2 | Confident | 87.2 | Confident | 49 Ų | 49 | 38.7 Ų | 38.7 | 19% | 0.186 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 136.4 | -175 | -58.7 | -23.6 | 0 | 0 | 0 | 112.3 | A61 E69 Q245 D246 N249 P250 | A61-W252 HydrophobicContact CB-CE3 3.66Å; A61-W252 HydrophobicContact CB-CZ3 4.2Å; E69-W252 WeakPolarHBondContact OE1-CH2 3.37Å; E69-W252 VanDerWaalsContact OE1-CZ2 3.3Å; E69-W252 WeakPolarHBondContact OE1-CZ2 3.4Å; Q245-W252 WeakPolarHBondContact CA-O 3.45Å; D246-W252 HydrophobicContact CB-CB 4.26Å; D246-W252 PolarHBondContact N-O 3.3Å; N249-W252 HydrophobicContact CB-CD2 3.66Å; N249-W252 HydrophobicContact CB-CE3 3.46Å; N249-W252 VanDerWaalsContact CB-CE3 3.46Å; N249-W252 HydrophobicContact CB-CG 4.2Å; N249-W252 HydrophobicContact CB-CH2 4.41Å; N249-W252 HydrophobicContact CB-CZ3 3.92Å; N249-W252 WeakPolarHBondContact ND2-CH2 3.39Å; N249-W252 WeakPolarHBondContact ND2-CZ3 3.25Å; N249-W252 PolarHBondContact O-N 3.2Å; P250-W252 PolarHBondContact O-N 2.92Å |
| 253 | G | 87.4 | Confident | 87.4 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 153.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L124 K244 | L124-G253 PolarHBondContact N-O 3.2Å; L124-G253 PolarHBondContact O-N 3Å; K244-G253 CarbonylContact O-C 3.57Å; K244-G253 WeakPolarHBondContact O-CA 3.48Å |
| 254 | V | 90.3 | Very high | 87.7 | Confident | 3 Ų | 3 | 39.9 Ų | 39.9 | 2% | 0.018 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 131.9 | 170.1 | 179.6 | 0 | 0 | 0 | 0 | 108.5 | I60 R121 L122 K244 E256 | I60-V254 HydrophobicContact CG2-CB 3.85Å; I60-V254 HydrophobicContact CG2-CG1 4.27Å; I60-V254 HydrophobicContact CG2-CG2 3.91Å; R121-V254 HydrophobicContact CG-CG1 3.81Å; L122-V254 WeakPolarHBondContact O-CA 3.03Å; K244-V254 PolarHBondContact N-O 3.23Å; K244-V254 PolarHBondContact O-N 2.93Å; V254-E256 HydrophobicContact CG1-CG 3.99Å |
| 255 | S | 91.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 116.7 | 171.1 | -172.5 | 0 | 0 | 0 | 0 | 110 | R121 L122 Y276 | R121-S255 WeakPolarHBondContact CA-O 3.43Å; L122-S255 PolarHBondContact N-O 2.89Å; L122-S255 PolarHBondContact O-N 3.46Å; S255-Y276 WeakPolarHBondContact CB-OH 3.47Å; S255-Y276 PolarHBondContact O-OH 3.16Å; S255-Y276 PolarHBondContact OG-OH 3.07Å |
| 256 | E | 91 | Very high | 88.6 | Confident | 95 Ų | 95 | 38.9 Ų | 38.9 | 44% | 0.444 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 130.5 | 178.4 | -70.3 | 176.7 | -174.3 | 0 | 0 | 110.3 | L120 R121 V254 | L120-E256 WeakPolarHBondContact O-CA 3.43Å; R121-E256 HydrophobicContact CB-CG 4.01Å; R121-E256 HydrophobicContact CG-CG 3.89Å; V254-E256 HydrophobicContact CG1-CG 3.99Å |
| 257 | S | 92.8 | Very high | 89.2 | Confident | 8 Ų | 8 | 45.6 Ų | 45.6 | 6% | 0.056 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 164.3 | 174.5 | 77 | 0 | 0 | 0 | 0 | 111.5 | R119 L120 Y276 | R119-S257 CarbonylContact C-O 3.57Å; R119-S257 VanDerWaalsContact CA-O 3.28Å; R119-S257 WeakPolarHBondContact CA-O 3.29Å; L120-S257 PolarHBondContact N-O 3.46Å; L120-S257 PolarHBondContact O-N 3.42Å; S257-Y276 WeakPolarHBondContact OG-CD2 3.36Å; S257-Y276 VanDerWaalsContact OG-CE1 3.3Å; S257-Y276 WeakPolarHBondContact OG-CE1 3.43Å; S257-Y276 WeakPolarHBondContact OG-CE2 3.5Å; S257-Y276 PolarHBondContact OG-OH 3.18Å |
| 258 | V | 93.1 | Very high | 90 | Very high | 27 Ų | 27 | 45.7 Ų | 45.7 | 16% | 0.164 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 125.8 | 170.7 | -176 | 0 | 0 | 0 | 0 | 107.3 | F117 V118 R119 F144 I239 | F117-V258 HydrophobicContact CB-CG1 3.88Å; F117-V258 HydrophobicContact CD1-CG1 3.89Å; F117-V258 HydrophobicContact CG-CG1 4.23Å; V118-V258 CarbonylContact O-C 3.52Å; V118-V258 WeakPolarHBondContact O-CA 3.42Å; V118-V258 WeakPolarHBondContact O-CG1 3.12Å; R119-V258 HydrophobicContact CG-CG2 4.19Å; F144-V258 HydrophobicContact CE2-CG1 3.73Å; F144-V258 HydrophobicContact CZ-CB 4.37Å; F144-V258 HydrophobicContact CZ-CG1 3.79Å; I239-V258 WeakPolarHBondContact CD1-O 3.49Å; I239-V258 WeakPolarHBondContact CG2-O 3.5Å |
| 259 | I | 92.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | -18.6 | -177.1 | 60.6 | 168 | 0 | 0 | 0 | 113.2 | V118 L120 F144 N272 L273 Y276 M297 | V118-I259 HydrophobicContact CB-CD1 4.5Å; V118-I259 HydrophobicContact CB-CG1 3.98Å; V118-I259 HydrophobicContact CG1-CD1 3.75Å; V118-I259 HydrophobicContact CG1-CG1 3.72Å; V118-I259 PolarHBondContact O-N 3.08Å; L120-I259 HydrophobicContact CB-CG2 3.74Å; F144-I259 WeakPolarHBondContact CE1-O 3.48Å; F144-I259 VanDerWaalsContact CZ-C 3.48Å; I259-N272 WeakPolarHBondContact O-CB 3.2Å; I259-N272 PolarHBondContact O-ND2 2.98Å; I259-L273 HydrophobicContact CD1-CB 4.46Å; I259-L273 HydrophobicContact CD1-CD1 3.85Å; I259-Y276 HydrophobicContact CG2-CD1 4.35Å; I259-M297 HydrophobicContact CD1-SD 4.41Å |
| 260 | G | 93.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 175.9 | -172.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113 | V118 F144 | V118-G260 PolarHBondContact N-O 3.11Å; F144-G260 VanDerWaalsContact CZ-CA 3.42Å |
| 261 | K | 93.9 | Very high | 92.2 | Very high | 48 Ų | 48 | 39.7 Ų | 39.7 | 21% | 0.209 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 154 | 167.4 | -69.5 | -176.7 | 179.3 | -172.3 | 0 | 109.8 | A116 F117 F144 A145 D263 M264 | A116-K261 WeakPolarHBondContact O-CA 3.48Å; F117-K261 HydrophobicContact CD1-CG 4Å; F117-K261 HydrophobicContact CE1-CG 3.98Å; F144-K261 HydrophobicContact CD2-CG 4.19Å; A145-K261 WeakPolarHBondContact O-CE 3.42Å; K261-D263 WeakPolarHBondContact CB-OD1 3.09Å; K261-D263 PolarHBondContact O-N 3.09Å; K261-M264 HydrophobicContact CB-CG 4.21Å; K261-M264 HydrophobicContact CB-SD 4.45Å; K261-M264 PolarHBondContact N-SD 3.22Å; K261-M264 VanDerWaalsContact N-SD 3.45Å; K261-M264 WeakPolarHBondContact O-CB 3.37Å; K261-M264 WeakPolarHBondContact O-CG 3.42Å; K261-M264 PolarHBondContact O-N 3.11Å |
| 262 | L | 92.6 | Very high | 92.9 | Very high | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -21 | -177.5 | -167.3 | 64.3 | 0 | 0 | 0 | 113.4 | V99 H102 R103 Q106 A116 V118 M264 | V99-L262 HydrophobicContact CG1-CD1 4.22Å; H102-L262 HydrophobicContact CB-CD1 3.9Å; H102-L262 HydrophobicContact CB-CD2 4.5Å; R103-L262 HydrophobicContact CG-CD1 3.82Å; R103-L262 HydrophobicContact CG-CD2 4.06Å; R103-L262 HydrophobicContact CG-CG 3.71Å; R103-L262 PolarHBondContact NE-O 2.98Å; R103-L262 VanDerWaalsContact NE-O 3.09Å; R103-L262 PolarHBondContact NH2-O 3.02Å; Q106-L262 HydrophobicContact CB-CD2 3.69Å; Q106-L262 HydrophobicContact CG-CD2 3.39Å; A116-L262 PolarHBondContact O-N 3.07Å; V118-L262 HydrophobicContact CG2-CB 4.29Å; V118-L262 HydrophobicContact CG2-CD1 4.19Å; L262-M264 VanDerWaalsContact C-N 3.31Å |
| 263 | D | 92 | Very high | 93.3 | Very high | 92 Ų | 92 | 34.3 Ų | 34.3 | 49% | 0.492 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -17.2 | 175.4 | 61 | 0.2 | 0 | 0 | 0 | 113.5 | K261 | K261-D263 WeakPolarHBondContact CB-OD1 3.09Å; K261-D263 PolarHBondContact O-N 3.09Å |
| 264 | M | 93.4 | Very high | 93.6 | Very high | 24 Ų | 24 | 39 Ų | 39 | 12% | 0.118 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -68.7 | 156 | 179.3 | -63.9 | 179.9 | 68.3 | 0 | 0 | 111.9 | R103 F144 K261 L262 L269 | R103-M264 PolarHBondContact NH2-O 3.33Å; F144-M264 HydrophobicContact CB-CE 4.42Å; F144-M264 HydrophobicContact CB-SD 3.76Å; F144-M264 HydrophobicContact CD1-SD 4.06Å; F144-M264 HydrophobicContact CG-SD 4.04Å; K261-M264 HydrophobicContact CB-CG 4.21Å; K261-M264 HydrophobicContact CB-SD 4.45Å; K261-M264 PolarHBondContact N-SD 3.22Å; K261-M264 VanDerWaalsContact N-SD 3.45Å; K261-M264 WeakPolarHBondContact O-CB 3.37Å; K261-M264 WeakPolarHBondContact O-CG 3.42Å; K261-M264 PolarHBondContact O-N 3.11Å; L262-M264 VanDerWaalsContact C-N 3.31Å; M264-L269 HydrophobicContact CB-CD2 4.24Å; M264-L269 HydrophobicContact CB-CG 4.15Å; M264-L269 HydrophobicContact SD-CD2 4.31Å |
| 265 | S | 95.5 | Very high | 93.7 | Very high | 44 Ų | 44 | 40.4 Ų | 40.4 | 31% | 0.308 | 20% | 0.204 | S | C | . | . | trans | -62.2 | 152.8 | 172.8 | 71.7 | 0 | 0 | 0 | 0 | 110.9 | E267 Y268 L269 | S265-E267 VanDerWaalsContact C-N 3.29Å; S265-E267 PolarHBondContact O-N 2.86Å; S265-Y268 PolarHBondContact O-N 2.85Å; S265-Y268 WeakPolarHBondContact OG-CB 3.46Å; S265-Y268 VanDerWaalsContact OG-CD1 3.31Å; S265-Y268 WeakPolarHBondContact OG-CD1 3.49Å; S265-Y268 WeakPolarHBondContact OG-CD2 3.39Å; S265-Y268 PolarHBondContact OG-N 2.8Å; S265-L269 PolarHBondContact O-N 2.88Å | ||
| 266 | V | 95.2 | Very high | 93.8 | Very high | 38 Ų | 38 | 40.4 Ų | 40.4 | 23% | 0.23 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.2 | -41 | 179.6 | -179.2 | 0 | 0 | 0 | 0 | 110.5 | A96 V99 Y268 L269 E270 | A96-V266 HydrophobicContact CB-CG1 3.84Å; V99-V266 HydrophobicContact CG1-CG2 4.21Å; V266-Y268 VanDerWaalsContact C-N 3.32Å; V266-Y268 PolarHBondContact O-N 3.26Å; V266-L269 WeakPolarHBondContact O-CB 3.45Å; V266-L269 PolarHBondContact O-N 3.08Å; V266-L269 VanDerWaalsContact O-N 3.16Å; V266-E270 HydrophobicContact CG1-CG 4.37Å; V266-E270 WeakPolarHBondContact O-CG 3.46Å; V266-E270 PolarHBondContact O-N 2.92Å |
| 267 | E | 95.5 | Very high | 93.8 | Very high | 143 Ų | 143 | 35.9 Ų | 35.9 | 67% | 0.668 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -58.8 | -41 | 177.5 | -62.3 | 171.6 | -175 | 0 | 0 | 112.5 | S265 E270 A271 | S265-E267 VanDerWaalsContact C-N 3.29Å; S265-E267 PolarHBondContact O-N 2.86Å; E267-E270 PolarHBondContact O-N 2.83Å; E267-A271 WeakPolarHBondContact O-CB 3.49Å; E267-A271 PolarHBondContact O-N 3.13Å |
| 268 | Y | 95.5 | Very high | 93.7 | Very high | 101 Ų | 101 | 39.4 Ų | 39.4 | 40% | 0.396 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -69.5 | -37.1 | 178.4 | -63.5 | -9.1 | 0 | 0 | 0 | 111.6 | Y142 S265 V266 N272 | Y142-Y268 AromaticContact CD1-CD1 3.7Å; Y142-Y268 HydrophobicContact CD1-CD1 3.7Å; Y142-Y268 HydrophobicContact CD1-CD2 4.19Å; Y142-Y268 AromaticContact CD1-CE1 3.96Å; Y142-Y268 HydrophobicContact CD1-CE1 3.96Å; Y142-Y268 HydrophobicContact CD1-CE2 4.41Å; Y142-Y268 AromaticContact CD1-CG 3.83Å; Y142-Y268 HydrophobicContact CD1-CG 3.83Å; Y142-Y268 AromaticContact CD2-CD1 3.9Å; Y142-Y268 HydrophobicContact CD2-CD1 3.9Å; Y142-Y268 HydrophobicContact CD2-CG 4.01Å; Y142-Y268 AromaticContact CE1-CD1 3.52Å; Y142-Y268 HydrophobicContact CE1-CD1 3.52Å; Y142-Y268 AromaticContact CE1-CE1 3.5Å; Y142-Y268 HydrophobicContact CE1-CE1 3.5Å; Y142-Y268 HydrophobicContact CE1-CG 4.15Å; Y142-Y268 AromaticContact CE2-CD1 3.72Å; Y142-Y268 HydrophobicContact CE2-CD1 3.72Å; Y142-Y268 HydrophobicContact CE2-CE1 4.42Å; Y142-Y268 HydrophobicContact CE2-CG 4.31Å; Y142-Y268 AromaticContact CG-CD1 3.88Å; Y142-Y268 HydrophobicContact CG-CD1 3.88Å; Y142-Y268 HydrophobicContact CG-CD2 4.35Å; Y142-Y268 AromaticContact CG-CG 3.75Å; Y142-Y268 HydrophobicContact CG-CG 3.75Å; Y142-Y268 AromaticContact CZ-CD1 3.52Å; Y142-Y268 AromaticContact CZ-CE1 3.76Å; S265-Y268 PolarHBondContact O-N 2.85Å; S265-Y268 WeakPolarHBondContact OG-CB 3.46Å; S265-Y268 VanDerWaalsContact OG-CD1 3.31Å; S265-Y268 WeakPolarHBondContact OG-CD1 3.49Å; S265-Y268 WeakPolarHBondContact OG-CD2 3.39Å; S265-Y268 PolarHBondContact OG-N 2.8Å; V266-Y268 VanDerWaalsContact C-N 3.32Å; V266-Y268 PolarHBondContact O-N 3.26Å; Y268-N272 WeakPolarHBondContact O-CB 3.24Å; Y268-N272 VanDerWaalsContact O-CG 3.25Å; Y268-N272 PolarHBondContact O-N 3.36Å |
| 269 | L | 94.6 | Very high | 93.5 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.3 | -41.5 | 174.4 | -69.1 | 174.4 | 0 | 0 | 0 | 111.4 | V99 M264 S265 V266 N272 L273 | V99-L269 HydrophobicContact CG1-CD1 4.17Å; V99-L269 HydrophobicContact CG2-CD1 3.77Å; M264-L269 HydrophobicContact CB-CD2 4.24Å; M264-L269 HydrophobicContact CB-CG 4.15Å; M264-L269 HydrophobicContact SD-CD2 4.31Å; S265-L269 PolarHBondContact O-N 2.88Å; V266-L269 WeakPolarHBondContact O-CB 3.45Å; V266-L269 PolarHBondContact O-N 3.08Å; V266-L269 VanDerWaalsContact O-N 3.16Å; L269-N272 PolarHBondContact O-N 3.07Å; L269-L273 WeakPolarHBondContact O-CB 3.14Å; L269-L273 PolarHBondContact O-N 2.88Å |
| 270 | E | 94.7 | Very high | 93.3 | Very high | 66 Ų | 66 | 41.9 Ų | 41.9 | 31% | 0.308 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -62.6 | -43.1 | 176.2 | -75.8 | 178.1 | 176 | 0 | 0 | 112.2 | V95 V266 E267 L273 K274 | V95-E270 HydrophobicContact CB-CG 3.66Å; V95-E270 HydrophobicContact CG1-CG 3.57Å; V95-E270 HydrophobicContact CG2-CG 4.11Å; V266-E270 HydrophobicContact CG1-CG 4.37Å; V266-E270 WeakPolarHBondContact O-CG 3.46Å; V266-E270 PolarHBondContact O-N 2.92Å; E267-E270 PolarHBondContact O-N 2.83Å; E270-L273 WeakPolarHBondContact O-CB 3.5Å; E270-L273 PolarHBondContact O-N 2.85Å; E270-K274 WeakPolarHBondContact O-CB 3.44Å; E270-K274 PolarHBondContact O-N 3.37Å |
| 271 | A | 94.7 | Very high | 92.9 | Very high | 28 Ų | 28 | 42.4 Ų | 42.4 | 23% | 0.231 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.3 | -40.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y142 E267 K274 T275 | Y142-A271 HydrophobicContact CD2-CB 3.83Å; Y142-A271 HydrophobicContact CE2-CB 3.51Å; E267-A271 WeakPolarHBondContact O-CB 3.49Å; E267-A271 PolarHBondContact O-N 3.13Å; A271-K274 PolarHBondContact O-N 3.46Å; A271-T275 PolarHBondContact O-N 2.84Å; A271-T275 PolarHBondContact O-OG1 3Å |
| 272 | N | 95 | Very high | 92.5 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.5 | -41.3 | 174.6 | -73.6 | -2.8 | 0 | 0 | 0 | 111.3 | M140 P141 Y142 I259 Y268 L269 T275 Y276 | M140-N272 HydrophobicContact SD-CB 4.19Å; P141-N272 WeakPolarHBondContact CD-OD1 3.36Å; Y142-N272 PolarHBondContact N-OD1 3.47Å; Y142-N272 VanDerWaalsContact N-OD1 3.07Å; Y142-N272 PolarHBondContact O-ND2 3.24Å; I259-N272 WeakPolarHBondContact O-CB 3.2Å; I259-N272 PolarHBondContact O-ND2 2.98Å; Y268-N272 WeakPolarHBondContact O-CB 3.24Å; Y268-N272 VanDerWaalsContact O-CG 3.25Å; Y268-N272 PolarHBondContact O-N 3.36Å; L269-N272 PolarHBondContact O-N 3.07Å; N272-T275 PolarHBondContact O-N 3.41Å; N272-Y276 WeakPolarHBondContact O-CB 3.37Å; N272-Y276 PolarHBondContact O-N 3.4Å |
| 273 | L | 93.8 | Very high | 92 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.6 | -48.7 | 175.4 | -175.6 | 79.1 | 0 | 0 | 0 | 111.2 | V95 L120 I259 L269 E270 T275 Y276 I277 I308 F313 | V95-L273 HydrophobicContact CG2-CD2 3.41Å; V95-L273 VanDerWaalsContact CG2-CD2 3.41Å; L120-L273 HydrophobicContact CB-CD1 4.46Å; L120-L273 HydrophobicContact CD1-CD1 3.54Å; L120-L273 HydrophobicContact CD2-CD1 3.3Å; L120-L273 HydrophobicContact CG-CD1 3.94Å; I259-L273 HydrophobicContact CD1-CB 4.46Å; I259-L273 HydrophobicContact CD1-CD1 3.85Å; L269-L273 WeakPolarHBondContact O-CB 3.14Å; L269-L273 PolarHBondContact O-N 2.88Å; E270-L273 WeakPolarHBondContact O-CB 3.5Å; E270-L273 PolarHBondContact O-N 2.85Å; L273-T275 PolarHBondContact O-N 3.05Å; L273-Y276 WeakPolarHBondContact O-CB 3.41Å; L273-Y276 PolarHBondContact O-N 2.88Å; L273-I277 HydrophobicContact CD1-CD1 4.37Å; L273-I277 HydrophobicContact CD2-CD1 4.31Å; L273-I277 HydrophobicContact CG-CD1 3.89Å; L273-I277 WeakPolarHBondContact O-CG1 3.41Å; L273-I277 PolarHBondContact O-N 3.1Å; L273-I308 HydrophobicContact CD2-CG2 4.16Å; L273-F313 HydrophobicContact CD2-CD2 4.28Å; L273-F313 HydrophobicContact CD2-CE1 4.21Å; L273-F313 HydrophobicContact CD2-CE2 3.8Å; L273-F313 HydrophobicContact CD2-CZ 3.77Å |
| 274 | K | 93.5 | Very high | 91.3 | Very high | 97 Ų | 97 | 42.1 Ų | 42.1 | 42% | 0.422 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -55.5 | -51.1 | 176.9 | -177.5 | 172.3 | 174.3 | 171.5 | 0 | 111.3 | E270 A271 Y276 I277 E278 F313 | E270-K274 WeakPolarHBondContact O-CB 3.44Å; E270-K274 PolarHBondContact O-N 3.37Å; A271-K274 PolarHBondContact O-N 3.46Å; K274-Y276 VanDerWaalsContact C-N 3.27Å; K274-Y276 PolarHBondContact O-N 2.98Å; K274-I277 PolarHBondContact O-N 3.03Å; K274-E278 WeakPolarHBondContact CE-OE1 3.34Å; K274-E278 HydrophobicContact CG-CG 4.33Å; K274-E278 WeakPolarHBondContact CG-OE1 3.5Å; K274-E278 IonicContact NZ-OE1 3.94Å; K274-E278 WeakPolarHBondContact O-CB 2.89Å; K274-E278 VanDerWaalsContact O-CG 3.31Å; K274-E278 WeakPolarHBondContact O-CG 3.41Å; K274-E278 PolarHBondContact O-N 3.32Å; K274-F313 HydrophobicContact CB-CD1 3.77Å; K274-F313 HydrophobicContact CB-CE1 4.2Å; K274-F313 HydrophobicContact CG-CD1 4.16Å |
| 275 | T | 92.6 | Very high | 90.3 | Very high | 34 Ų | 34 | 45.1 Ų | 45.1 | 21% | 0.209 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.1 | -38.7 | 179.5 | -52.6 | 0 | 0 | 0 | 0 | 112 | I138 P141 A271 N272 L273 R279 | I138-T275 HydrophobicContact CG2-CG2 4.15Å; P141-T275 VanDerWaalsContact CD-OG1 3.25Å; P141-T275 WeakPolarHBondContact CD-OG1 3.49Å; P141-T275 HydrophobicContact CG-CG2 4.48Å; P141-T275 WeakPolarHBondContact CG-OG1 3.44Å; A271-T275 PolarHBondContact O-N 2.84Å; A271-T275 PolarHBondContact O-OG1 3Å; N272-T275 PolarHBondContact O-N 3.41Å; L273-T275 PolarHBondContact O-N 3.05Å; T275-R279 VanDerWaalsContact O-CB 3.28Å; T275-R279 WeakPolarHBondContact O-CB 3.5Å; T275-R279 PolarHBondContact O-N 3.25Å |
| 276 | Y | 92.9 | Very high | 89 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.1 | -47.5 | 176.7 | -179.7 | -117.9 | 0 | 0 | 0 | 112.1 | L120 L122 I138 M140 F241 S255 S257 I259 N272 L273 K274 R279 V280 | L120-Y276 HydrophobicContact CB-CD1 4.38Å; L120-Y276 HydrophobicContact CB-CE1 4.19Å; L120-Y276 HydrophobicContact CD2-CD1 3.44Å; L120-Y276 VanDerWaalsContact CD2-CD1 3.44Å; L120-Y276 HydrophobicContact CD2-CE1 3.64Å; L120-Y276 HydrophobicContact CG-CD1 4.48Å; L120-Y276 HydrophobicContact CG-CE1 4.35Å; L122-Y276 HydrophobicContact CD1-CD1 4.04Å; L122-Y276 HydrophobicContact CD1-CE1 3.53Å; L122-Y276 HydrophobicContact CG-CE1 3.83Å; I138-Y276 HydrophobicContact CD1-CD2 3.56Å; I138-Y276 HydrophobicContact CD1-CE2 4.03Å; M140-Y276 HydrophobicContact CE-CD2 4.31Å; F241-Y276 HydrophobicContact CB-CE2 3.74Å; F241-Y276 HydrophobicContact CD2-CE2 4.33Å; F241-Y276 HydrophobicContact CG-CE2 4.08Å; S255-Y276 WeakPolarHBondContact CB-OH 3.47Å; S255-Y276 PolarHBondContact O-OH 3.16Å; S255-Y276 PolarHBondContact OG-OH 3.07Å; S257-Y276 WeakPolarHBondContact OG-CD2 3.36Å; S257-Y276 VanDerWaalsContact OG-CE1 3.3Å; S257-Y276 WeakPolarHBondContact OG-CE1 3.43Å; S257-Y276 WeakPolarHBondContact OG-CE2 3.5Å; S257-Y276 PolarHBondContact OG-OH 3.18Å; I259-Y276 HydrophobicContact CG2-CD1 4.35Å; N272-Y276 WeakPolarHBondContact O-CB 3.37Å; N272-Y276 PolarHBondContact O-N 3.4Å; L273-Y276 WeakPolarHBondContact O-CB 3.41Å; L273-Y276 PolarHBondContact O-N 2.88Å; K274-Y276 VanDerWaalsContact C-N 3.27Å; K274-Y276 PolarHBondContact O-N 2.98Å; Y276-R279 PolarHBondContact O-N 2.82Å; Y276-V280 HydrophobicContact CD2-CG2 4.29Å; Y276-V280 HydrophobicContact CE2-CG2 3.84Å; Y276-V280 WeakPolarHBondContact O-CG2 3.29Å; Y276-V280 PolarHBondContact O-N 3.12Å |
| 277 | I | 92 | Very high | 87.5 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.2 | -48.8 | 178.6 | -69.2 | 171.1 | 0 | 0 | 0 | 110.3 | L120 L273 K274 R279 V280 F281 I292 L310 F313 L314 | L120-I277 HydrophobicContact CD2-CG1 4.46Å; L273-I277 HydrophobicContact CD1-CD1 4.37Å; L273-I277 HydrophobicContact CD2-CD1 4.31Å; L273-I277 HydrophobicContact CG-CD1 3.89Å; L273-I277 WeakPolarHBondContact O-CG1 3.41Å; L273-I277 PolarHBondContact O-N 3.1Å; K274-I277 PolarHBondContact O-N 3.03Å; I277-R279 VanDerWaalsContact C-N 3.28Å; I277-R279 PolarHBondContact O-N 3.45Å; I277-V280 PolarHBondContact O-N 3.09Å; I277-F281 VanDerWaalsContact O-CB 3.26Å; I277-F281 WeakPolarHBondContact O-CB 3.43Å; I277-F281 PolarHBondContact O-N 3.01Å; I277-I292 HydrophobicContact CG2-CD1 3.91Å; I277-L310 HydrophobicContact CD1-CD2 4.05Å; I277-F313 HydrophobicContact CB-CB 4.47Å; I277-F313 HydrophobicContact CD1-CB 3.71Å; I277-F313 HydrophobicContact CD1-CD2 4.19Å; I277-F313 HydrophobicContact CD1-CG 3.97Å; I277-F313 HydrophobicContact CG2-CB 4.18Å; I277-L314 HydrophobicContact CG2-CD2 4.22Å |
| 278 | E | 90.2 | Very high | 86.1 | Confident | 81 Ų | 81 | 41.9 Ų | 41.9 | 38% | 0.379 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -56.8 | -42.5 | 177.3 | -74 | 173 | 172 | 0 | 0 | 111.8 | K274 F281 A282 | K274-E278 WeakPolarHBondContact CE-OE1 3.34Å; K274-E278 HydrophobicContact CG-CG 4.33Å; K274-E278 WeakPolarHBondContact CG-OE1 3.5Å; K274-E278 IonicContact NZ-OE1 3.94Å; K274-E278 WeakPolarHBondContact O-CB 2.89Å; K274-E278 VanDerWaalsContact O-CG 3.31Å; K274-E278 WeakPolarHBondContact O-CG 3.41Å; K274-E278 PolarHBondContact O-N 3.32Å; E278-F281 PolarHBondContact O-N 2.9Å; E278-A282 WeakPolarHBondContact O-CB 3.49Å; E278-A282 PolarHBondContact O-N 2.88Å |
| 279 | R | 88.8 | Confident | 84.7 | Confident | 79 Ų | 79 | 39.1 Ų | 39.1 | 30% | 0.298 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -68.7 | -38.3 | 179.8 | -178.2 | 53.9 | 174.5 | 160.7 | 0.5 | 112.7 | Y134 I138 F241 T275 Y276 I277 | Y134-R279 PolarHBondContact OH-NH2 3.27Å; I138-R279 HydrophobicContact CD1-CB 3.81Å; I138-R279 HydrophobicContact CD1-CG 3.5Å; I138-R279 HydrophobicContact CG1-CB 4.39Å; I138-R279 HydrophobicContact CG1-CG 3.73Å; F241-R279 HydrophobicContact CE1-CG 4.24Å; F241-R279 HydrophobicContact CZ-CG 4.16Å; T275-R279 VanDerWaalsContact O-CB 3.28Å; T275-R279 WeakPolarHBondContact O-CB 3.5Å; T275-R279 PolarHBondContact O-N 3.25Å; Y276-R279 PolarHBondContact O-N 2.82Å; I277-R279 VanDerWaalsContact C-N 3.28Å; I277-R279 PolarHBondContact O-N 3.45Å |
| 280 | V | 88.9 | Confident | 83.6 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -69.7 | -42.5 | 175.4 | 171.7 | 0 | 0 | 0 | 0 | 110 | L122 L124 F241 Y276 I277 A282 L283 F291 I292 | L122-V280 HydrophobicContact CD1-CB 3.93Å; L122-V280 HydrophobicContact CD1-CG1 3.83Å; L122-V280 HydrophobicContact CD1-CG2 3.91Å; L124-V280 HydrophobicContact CD1-CG1 3.98Å; L124-V280 HydrophobicContact CD2-CG1 3.85Å; F241-V280 HydrophobicContact CD2-CG2 4.22Å; F241-V280 HydrophobicContact CE2-CG2 4.1Å; Y276-V280 HydrophobicContact CD2-CG2 4.29Å; Y276-V280 HydrophobicContact CE2-CG2 3.84Å; Y276-V280 WeakPolarHBondContact O-CG2 3.29Å; Y276-V280 PolarHBondContact O-N 3.12Å; I277-V280 PolarHBondContact O-N 3.09Å; V280-A282 VanDerWaalsContact C-N 3.29Å; V280-A282 PolarHBondContact O-N 3.28Å; V280-L283 WeakPolarHBondContact O-CB 3.07Å; V280-L283 PolarHBondContact O-N 3.19Å; V280-F291 HydrophobicContact CG1-CE1 3.86Å; V280-F291 WeakPolarHBondContact O-CE1 3.31Å; V280-I292 HydrophobicContact CG1-CD1 4.35Å |
| 281 | F | 86.2 | Confident | 83.1 | Confident | 12 Ų | 12 | 39.9 Ų | 39.9 | 5% | 0.053 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.1 | -38 | 176 | -169.5 | -97.8 | 0 | 0 | 0 | 112.3 | I277 E278 L283 R284 I292 L314 P315 I317 | I277-F281 VanDerWaalsContact O-CB 3.26Å; I277-F281 WeakPolarHBondContact O-CB 3.43Å; I277-F281 PolarHBondContact O-N 3.01Å; E278-F281 PolarHBondContact O-N 2.9Å; F281-L283 PolarHBondContact O-N 3.27Å; F281-L283 VanDerWaalsContact O-N 3.11Å; F281-R284 VanDerWaalsContact CE1-NE 3.33Å; F281-R284 VanDerWaalsContact O-CB 3.25Å; F281-R284 WeakPolarHBondContact O-CB 3.16Å; F281-R284 WeakPolarHBondContact O-CD 3.42Å; F281-R284 WeakPolarHBondContact O-CG 3.31Å; F281-R284 PolarHBondContact O-N 2.7Å; F281-I292 HydrophobicContact CB-CD1 4.18Å; F281-I292 HydrophobicContact CD2-CD1 4.27Å; F281-L314 HydrophobicContact CD2-CD2 3.88Å; F281-L314 HydrophobicContact CE2-CD2 4.09Å; F281-P315 HydrophobicContact CD1-CG 3.43Å; F281-P315 VanDerWaalsContact CD1-CG 3.43Å; F281-P315 HydrophobicContact CE1-CG 3.25Å; F281-P315 HydrophobicContact CG-CG 4.26Å; F281-P315 HydrophobicContact CZ-CG 3.97Å; F281-I317 HydrophobicContact CZ-CD1 4.15Å; F281-I317 HydrophobicContact CZ-CG1 4.08Å |
| 282 | A | 84.2 | Confident | 82.8 | Confident | 68 Ų | 68 | 39.2 Ų | 39.2 | 56% | 0.562 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -8.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | E278 V280 | E278-A282 WeakPolarHBondContact O-CB 3.49Å; E278-A282 PolarHBondContact O-N 2.88Å; V280-A282 VanDerWaalsContact C-N 3.29Å; V280-A282 PolarHBondContact O-N 3.28Å |
| 283 | L | 81.9 | Confident | 82.5 | Confident | 35 Ų | 35 | 42.9 Ų | 42.9 | 18% | 0.183 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -5 | 172 | -59.5 | 176 | 0 | 0 | 0 | 113.1 | Y134 F241 V280 F281 | Y134-L283 HydrophobicContact CD1-CD1 3.39Å; Y134-L283 HydrophobicContact CD1-CD2 4.01Å; Y134-L283 HydrophobicContact CD1-CG 4.36Å; Y134-L283 HydrophobicContact CD2-CD2 4.41Å; Y134-L283 HydrophobicContact CE1-CD1 3.5Å; Y134-L283 VanDerWaalsContact CE1-CD1 3.5Å; Y134-L283 HydrophobicContact CE1-CD2 3.45Å; Y134-L283 VanDerWaalsContact CE1-CD2 3.45Å; Y134-L283 HydrophobicContact CE1-CG 4.12Å; Y134-L283 HydrophobicContact CE2-CD2 3.92Å; Y134-L283 HydrophobicContact CG-CD1 4.12Å; Y134-L283 HydrophobicContact CG-CD2 4.44Å; F241-L283 HydrophobicContact CE2-CD1 3.61Å; F241-L283 HydrophobicContact CZ-CD1 3.81Å; V280-L283 WeakPolarHBondContact O-CB 3.07Å; V280-L283 PolarHBondContact O-N 3.19Å; F281-L283 PolarHBondContact O-N 3.27Å; F281-L283 VanDerWaalsContact O-N 3.11Å |
| 284 | R | 78.5 | Confident | 82.3 | Confident | 32 Ų | 32 | 43.7 Ų | 43.7 | 12% | 0.121 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -59.7 | 149.2 | 172.5 | 79.7 | -169.7 | -179.6 | 149.2 | -1.7 | 109.8 | F281 P286 K288 F291 I317 E321 | F281-R284 VanDerWaalsContact CE1-NE 3.33Å; F281-R284 VanDerWaalsContact O-CB 3.25Å; F281-R284 WeakPolarHBondContact O-CB 3.16Å; F281-R284 WeakPolarHBondContact O-CD 3.42Å; F281-R284 WeakPolarHBondContact O-CG 3.31Å; F281-R284 PolarHBondContact O-N 2.7Å; R284-P286 WeakPolarHBondContact O-CD 3.3Å; R284-K288 WeakPolarHBondContact CD-O 3.45Å; R284-K288 PolarHBondContact NH1-O 3.32Å; R284-F291 HydrophobicContact CB-CB 3.97Å; R284-F291 HydrophobicContact CB-CD1 4.1Å; R284-F291 HydrophobicContact CB-CD2 3.89Å; R284-F291 HydrophobicContact CB-CE2 4.4Å; R284-F291 HydrophobicContact CB-CG 3.71Å; R284-I317 VanDerWaalsContact NH1-CD1 3.31Å; R284-E321 IonicContact CZ-OE2 2.75Å; R284-E321 IonicContact NH2-OE2 3.98Å; R284-E321 PolarHBondContact NH2-OE2 3.26Å |
| 285 | D | 73.1 | Confident | 82.3 | Confident | 87 Ų | 87 | 39.1 Ų | 39.1 | 47% | 0.465 | 22% | 0.215 | S | C | . | . | trans | -83.5 | 115.8 | 164.2 | -64 | -45.7 | 0 | 0 | 0 | 107.1 | K288 | D285-K288 PolarHBondContact O-N 3.21Š| ||
| 286 | P | 67.1 | Low | 82.4 | Confident | 86 Ų | 86 | 37.5 Ų | 37.5 | 56% | 0.558 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 145.2 | 170.8 | -18.7 | 32.1 | 0 | 0 | 0 | 109.8 | R284 | R284-P286 WeakPolarHBondContact O-CD 3.3Š|
| 287 | P | 64.5 | Low | 82.6 | Confident | 19 Ų | 19 | 37.6 Ų | 37.6 | 12% | 0.123 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -91.3 | 6.8 | 12 | 32.4 | -34.4 | 0 | 0 | 0 | 116.7 | S289 E321 E324 E325 | P287-S289 PolarHBondContact O-N 3.19Å; P287-E321 HydrophobicContact CB-CB 4.09Å; P287-E321 VanDerWaalsContact CB-O 3.27Å; P287-E321 WeakPolarHBondContact CB-O 3.49Å; P287-E324 HydrophobicContact CB-CB 3.9Å; P287-E324 HydrophobicContact CG-CB 3.85Å; P287-E325 HydrophobicContact CB-CB 4.4Å; P287-E325 HydrophobicContact CG-CB 4.26Å |
| 288 | K | 65.4 | Low | 82.7 | Confident | 53 Ų | 53 | 38.6 Ų | 38.6 | 23% | 0.23 | 21% | 0.212 | C | C | . | . | trans | -56 | 123.1 | -165.1 | -62.3 | 177.3 | 180 | -178.5 | 0 | 115 | Q127 R284 D285 E325 | Q127-K288 PolarHBondContact O-NZ 3.33Å; R284-K288 WeakPolarHBondContact CD-O 3.45Å; R284-K288 PolarHBondContact NH1-O 3.32Å; D285-K288 PolarHBondContact O-N 3.21Å; K288-E325 VanDerWaalsContact CA-OE1 3.27Å; K288-E325 WeakPolarHBondContact CA-OE1 3.47Å | ||
| 289 | S | 65.8 | Low | 82.9 | Confident | 42 Ų | 42 | 34.7 Ų | 34.7 | 29% | 0.294 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -82.5 | -40.8 | 176.3 | 63.6 | 0 | 0 | 0 | 0 | 112.4 | P287 F291 I317 E325 | P287-S289 PolarHBondContact O-N 3.19Å; S289-F291 PolarHBondContact O-N 3.44Å; S289-F291 VanDerWaalsContact O-N 3.12Å; S289-I317 VanDerWaalsContact CA-CD1 3.47Å; S289-E325 WeakPolarHBondContact CB-OE2 3.18Å; S289-E325 VanDerWaalsContact N-CD 3.27Å; S289-E325 PolarHBondContact N-OE1 3.08Å; S289-E325 PolarHBondContact N-OE2 3.39Å; S289-E325 PolarHBondContact OG-OE2 3.25Å |
| 290 | T | 72.7 | Confident | 82.9 | Confident | 74 Ų | 74 | 35.3 Ų | 35.3 | 45% | 0.454 | 20% | 0.202 | S | C | . | . | trans | -90.3 | 72.1 | -175.2 | 62 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 291 | F | 83.2 | Confident | 82.8 | Confident | 9 Ų | 9 | 37.7 Ų | 37.7 | 4% | 0.039 | 22% | 0.218 | C | C | . | . | trans | -93.8 | -38.5 | 176.4 | -172.7 | -113.4 | 0 | 0 | 0 | 113.6 | L124 N125 M126 V280 R284 S289 | L124-F291 VanDerWaalsContact CA-O 3.29Å; L124-F291 WeakPolarHBondContact CA-O 3.32Å; L124-F291 HydrophobicContact CD1-CE1 4.27Å; L124-F291 HydrophobicContact CD1-CZ 4.32Å; L124-F291 HydrophobicContact CD2-CD1 4.18Å; L124-F291 HydrophobicContact CD2-CE1 4.04Å; N125-F291 PolarHBondContact N-O 2.75Å; M126-F291 HydrophobicContact CE-CE2 4.27Å; M126-F291 HydrophobicContact SD-CE2 3.47Å; M126-F291 WeakPolarHBondContact SD-CE2 3.38Å; M126-F291 HydrophobicContact SD-CZ 3.67Å; V280-F291 HydrophobicContact CG1-CE1 3.86Å; V280-F291 WeakPolarHBondContact O-CE1 3.31Å; R284-F291 HydrophobicContact CB-CB 3.97Å; R284-F291 HydrophobicContact CB-CD1 4.1Å; R284-F291 HydrophobicContact CB-CD2 3.89Å; R284-F291 HydrophobicContact CB-CE2 4.4Å; R284-F291 HydrophobicContact CB-CG 3.71Å; S289-F291 PolarHBondContact O-N 3.44Å; S289-F291 VanDerWaalsContact O-N 3.12Å | ||
| 292 | I | 88.6 | Confident | 82.7 | Confident | 14 Ų | 14 | 38.7 Ų | 38.7 | 7% | 0.072 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 109.5 | -176.7 | -50.5 | 179.9 | 0 | 0 | 0 | 109.1 | L122 L124 I277 V280 F281 L310 L314 | L122-I292 HydrophobicContact CD2-CG2 4.17Å; L124-I292 HydrophobicContact CD2-CB 4.09Å; L124-I292 HydrophobicContact CD2-CG1 3.65Å; L124-I292 HydrophobicContact CD2-CG2 4.13Å; I277-I292 HydrophobicContact CG2-CD1 3.91Å; V280-I292 HydrophobicContact CG1-CD1 4.35Å; F281-I292 HydrophobicContact CB-CD1 4.18Å; F281-I292 HydrophobicContact CD2-CD1 4.27Å; I292-L310 HydrophobicContact CB-CD1 4.48Å; I292-L310 HydrophobicContact CG2-CD1 3.78Å; I292-L310 HydrophobicContact CG2-CD2 4.15Å; I292-L314 HydrophobicContact CD1-CD2 4.18Å |
| 293 | D | 88 | Confident | 82.7 | Confident | 77 Ų | 77 | 38.9 Ų | 38.9 | 41% | 0.412 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | -42.3 | -177.5 | -68.8 | -2.3 | 0 | 0 | 0 | 111.5 | R67 D123 | R67-D293 IonicContact CZ-OD2 3.97Å; R67-D293 IonicContact NE-OD2 2.69Å; R67-D293 IonicContact NH2-OD2 3.92Å; R67-D293 PolarHBondContact NH2-OD2 3.05Å; D123-D293 PolarHBondContact O-N 3.02Å |
| 294 | R | 90.8 | Very high | 83.2 | Confident | 19 Ų | 19 | 42 Ų | 42 | 7% | 0.072 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 134.2 | -172.6 | -166.9 | 176.2 | 63.9 | 161 | 4.6 | 112.1 | A66 R67 L122 D123 V296 V307 | A66-R294 PolarHBondContact O-NH1 3.42Å; A66-R294 PolarHBondContact O-NH2 3.43Å; R67-R294 VanDerWaalsContact CA-NH2 3.32Å; L122-R294 WeakPolarHBondContact CA-O 3.4Å; D123-R294 HydrophobicContact CB-CB 4.26Å; D123-R294 PolarHBondContact N-O 2.67Å; D123-R294 PolarHBondContact O-N 2.85Å; D123-R294 IonicContact OD2-CZ 3.2Å; D123-R294 IonicContact OD2-NE 2.9Å; D123-R294 PolarHBondContact OD2-NE 2.97Å; D123-R294 IonicContact OD2-NH2 2.94Å; D123-R294 PolarHBondContact OD2-NH2 3.36Å; R294-V296 HydrophobicContact CG-CG2 3.91Å; R294-V307 HydrophobicContact CG-CG1 3.82Å |
| 295 | A | 93.8 | Very high | 83.9 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 128.4 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | L120 L122 V307 I308 L310 | L120-A295 HydrophobicContact CD1-CB 4.36Å; L122-A295 HydrophobicContact CD2-CB 3.53Å; A295-V307 WeakPolarHBondContact O-CA 3.44Å; A295-I308 HydrophobicContact CB-CB 4.23Å; A295-I308 PolarHBondContact O-N 3.27Å; A295-L310 HydrophobicContact CB-CD2 3.48Å; A295-L310 VanDerWaalsContact CB-CD2 3.48Å; A295-L310 HydrophobicContact CB-CG 4.07Å |
| 296 | V | 94.8 | Very high | 84.9 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 123.9 | 179.5 | -175.4 | 0 | 0 | 0 | 0 | 109.7 | P65 L120 R121 R294 Y305 Y306 V307 | P65-V296 HydrophobicContact CB-CG1 4.4Å; P65-V296 HydrophobicContact CG-CB 4.26Å; P65-V296 HydrophobicContact CG-CG1 3.63Å; L120-V296 WeakPolarHBondContact CA-O 3.41Å; R121-V296 HydrophobicContact CB-CB 4.49Å; R121-V296 PolarHBondContact N-O 3.31Å; R121-V296 PolarHBondContact O-N 3.28Å; R294-V296 HydrophobicContact CG-CG2 3.91Å; V296-Y305 HydrophobicContact CG1-CD2 3.48Å; V296-Y305 VanDerWaalsContact CG1-CD2 3.48Å; V296-Y305 HydrophobicContact CG1-CG 3.92Å; V296-Y306 WeakPolarHBondContact CA-O 3.25Å; V296-V307 HydrophobicContact CG2-CG2 4.43Å |
| 297 | M | 95.7 | Very high | 86.2 | Confident | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 135.9 | 174.2 | -167.6 | 160.2 | 75.5 | 0 | 0 | 110.1 | A98 V99 V118 R119 L120 I259 Y305 Y306 I308 | A98-M297 VanDerWaalsContact C-CE 3.4Å; A98-M297 HydrophobicContact CB-CE 3.28Å; V99-M297 HydrophobicContact CG2-CE 3.74Å; V99-M297 HydrophobicContact CG2-SD 4.38Å; V118-M297 HydrophobicContact CG1-CG 3.57Å; V118-M297 HydrophobicContact CG1-SD 3.44Å; V118-M297 WeakPolarHBondContact CG1-SD 3.35Å; R119-M297 WeakPolarHBondContact O-CA 3.23Å; L120-M297 HydrophobicContact CD1-CB 4.34Å; I259-M297 HydrophobicContact CD1-SD 4.41Å; M297-Y305 VanDerWaalsContact O-CA 3.29Å; M297-Y305 WeakPolarHBondContact O-CA 3.16Å; M297-Y306 PolarHBondContact N-O 3.01Å; M297-Y306 PolarHBondContact O-N 3.47Å; M297-I308 HydrophobicContact CB-CD1 4.02Å; M297-I308 HydrophobicContact CB-CG1 3.93Å; M297-I308 HydrophobicContact CE-CD1 4.25Å |
| 298 | T | 94.9 | Very high | 87.6 | Confident | 21 Ų | 21 | 37.1 Ų | 37.1 | 13% | 0.129 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 145.1 | 179.8 | -54.2 | 0 | 0 | 0 | 0 | 109.8 | R119 | R119-T298 WeakPolarHBondContact CB-O 3.48Å; R119-T298 PolarHBondContact N-O 3.29Å; R119-T298 PolarHBondContact O-N 3.35Å |
| 299 | V | 93.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 133.1 | 177.7 | 178.9 | 0 | 0 | 0 | 0 | 109.1 | H102 Q106 A116 V118 P301 | H102-V299 HydrophobicContact CB-CG2 3.91Å; Q106-V299 HydrophobicContact CG-CG1 4.12Å; A116-V299 HydrophobicContact CB-CG1 3.39Å; V118-V299 HydrophobicContact CG1-CG2 4.46Å; V118-V299 HydrophobicContact CG2-CG2 4.17Å; V299-P301 CarbonylContact O-C 3.59Å |
| 300 | I | 89.1 | Confident | 89.9 | Confident | 91 Ų | 91 | 36.2 Ų | 36.2 | 47% | 0.467 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 132.1 | 178.6 | -58.3 | 178.1 | 0 | 0 | 0 | 108.7 | ||
| 301 | P | 87.8 | Confident | 90.5 | Very high | 50 Ų | 50 | 41.3 Ų | 41.3 | 33% | 0.325 | 22% | 0.221 | S | C | . | . | S | Bend | cis | -75.8 | 141.5 | 4.3 | 31.8 | -34.7 | 0 | 0 | 0 | 112.1 | Q106 L111 N113 V299 | Q106-P301 PolarHBondContact NE2-O 3.4Å; L111-P301 HydrophobicContact CB-CG 4.32Å; L111-P301 WeakPolarHBondContact CD1-O 3.35Å; N113-P301 HydrophobicContact CB-CG 4.48Å; N113-P301 WeakPolarHBondContact ND2-CD 3.49Å; V299-P301 CarbonylContact O-C 3.59Å |
| 302 | G | 83.5 | Confident | 90.6 | Very high | 33 Ų | 33 | 45.1 Ų | 45.1 | 34% | 0.34 | 25% | 0.247 | S | C | . | . | trans | 156.3 | 142.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 303 | A | 85.1 | Confident | 90.3 | Very high | 73 Ų | 73 | 45.7 Ų | 45.7 | 60% | 0.603 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -96.3 | -16.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | H64 | H64-A303 PolarHBondContact CE1-O 2.89Š|
| 304 | E | 90.4 | Very high | 90 | Very high | 99 Ų | 99 | 45.1 Ų | 45.1 | 46% | 0.463 | 25% | 0.245 | S | C | . | . | trans | -70.6 | 141.1 | -178.3 | -59.7 | -57.3 | 146.4 | 0 | 0 | 112.1 | L105 | L105-E304 HydrophobicContact CD2-CB 3.95Å; L105-E304 HydrophobicContact CD2-CG 3.85Å | ||
| 305 | Y | 93.9 | Very high | 89.1 | Confident | 74 Ų | 74 | 47 Ų | 47 | 29% | 0.29 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 148.1 | 174.5 | 66.6 | -86.3 | 0 | 0 | 0 | 110.2 | H64 P65 V296 M297 | H64-Y305 AromaticContact CE1-CD1 3.48Å; H64-Y305 VanDerWaalsContact CE1-CD1 3.48Å; H64-Y305 WeakPolarHBondContact CE1-CD1 3.43Å; H64-Y305 AromaticContact CE1-CE1 3.8Å; H64-Y305 AromaticContact NE2-CD1 3.73Å; H64-Y305 AromaticContact NE2-CE1 3.55Å; P65-Y305 HydrophobicContact CB-CD1 3.67Å; P65-Y305 HydrophobicContact CB-CD2 3.62Å; P65-Y305 HydrophobicContact CB-CE1 3.71Å; P65-Y305 HydrophobicContact CB-CE2 3.65Å; P65-Y305 HydrophobicContact CB-CG 3.6Å; P65-Y305 HydrophobicContact CG-CD1 4.45Å; P65-Y305 HydrophobicContact CG-CD2 4.12Å; P65-Y305 HydrophobicContact CG-CG 4.03Å; V296-Y305 HydrophobicContact CG1-CD2 3.48Å; V296-Y305 VanDerWaalsContact CG1-CD2 3.48Å; V296-Y305 HydrophobicContact CG1-CG 3.92Å; M297-Y305 VanDerWaalsContact O-CA 3.29Å; M297-Y305 WeakPolarHBondContact O-CA 3.16Å |
| 306 | Y | 94.7 | Very high | 88 | Confident | 28 Ų | 28 | 56.1 Ų | 56.1 | 11% | 0.11 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 130.7 | -179.7 | -58 | -61.1 | 0 | 0 | 0 | 110.1 | Y93 A98 L101 H102 V296 M297 | Y93-Y306 HydrophobicContact CD2-CD1 4.08Å; Y93-Y306 HydrophobicContact CD2-CG 4.39Å; Y93-Y306 AromaticContact CE2-CD1 3.79Å; Y93-Y306 HydrophobicContact CE2-CD1 3.79Å; A98-Y306 HydrophobicContact CB-CD2 4.06Å; A98-Y306 HydrophobicContact CB-CG 4.17Å; L101-Y306 HydrophobicContact CB-CD2 4.38Å; L101-Y306 HydrophobicContact CB-CE1 4.35Å; L101-Y306 HydrophobicContact CB-CE2 3.56Å; L101-Y306 HydrophobicContact CD1-CD1 4.1Å; L101-Y306 HydrophobicContact CD1-CE1 3.71Å; L101-Y306 HydrophobicContact CD1-CE2 4.26Å; H102-Y306 AromaticContact CD2-CD2 3.75Å; H102-Y306 AromaticContact CD2-CE2 3.97Å; H102-Y306 AromaticContact CE1-CD2 3.5Å; H102-Y306 VanDerWaalsContact CE1-CD2 3.5Å; H102-Y306 WeakPolarHBondContact CE1-CD2 3.21Å; H102-Y306 AromaticContact CE1-CE2 3.43Å; H102-Y306 VanDerWaalsContact CE1-CE2 3.43Å; H102-Y306 WeakPolarHBondContact CE1-CE2 3.46Å; H102-Y306 AromaticContact CG-CE2 3.87Å; H102-Y306 AromaticContact ND1-CD2 3.99Å; H102-Y306 AromaticContact ND1-CE2 3.54Å; H102-Y306 AromaticContact NE2-CD2 3.36Å; H102-Y306 WeakPolarHBondContact NE2-CD2 3.34Å; H102-Y306 AromaticContact NE2-CE2 3.74Å; V296-Y306 WeakPolarHBondContact CA-O 3.25Å; M297-Y306 PolarHBondContact N-O 3.01Å; M297-Y306 PolarHBondContact O-N 3.47Å |
| 307 | V | 94.3 | Very high | 86.7 | Confident | 16 Ų | 16 | 57.5 Ų | 57.5 | 10% | 0.097 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 125.2 | 174.4 | -177.8 | 0 | 0 | 0 | 0 | 108.5 | P90 V92 Y93 R294 A295 V296 | P90-V307 HydrophobicContact CB-CG2 4.03Å; V92-V307 HydrophobicContact CG2-CG1 4.49Å; Y93-V307 PolarHBondContact N-O 3.43Å; R294-V307 HydrophobicContact CG-CG1 3.82Å; A295-V307 WeakPolarHBondContact O-CA 3.44Å; V296-V307 HydrophobicContact CG2-CG2 4.43Å |
| 308 | I | 94.4 | Very high | 85.2 | Confident | 4 Ų | 4 | 61 Ų | 61 | 2% | 0.021 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 139.9 | -177.7 | -57.2 | -59 | 0 | 0 | 0 | 110.2 | Y93 V95 A98 L273 A295 M297 L310 F313 | Y93-I308 WeakPolarHBondContact O-CA 3.14Å; V95-I308 HydrophobicContact CG2-CG2 3.79Å; A98-I308 HydrophobicContact CB-CD1 3.49Å; A98-I308 VanDerWaalsContact CB-CD1 3.49Å; L273-I308 HydrophobicContact CD2-CG2 4.16Å; A295-I308 HydrophobicContact CB-CB 4.23Å; A295-I308 PolarHBondContact O-N 3.27Å; M297-I308 HydrophobicContact CB-CD1 4.02Å; M297-I308 HydrophobicContact CB-CG1 3.93Å; M297-I308 HydrophobicContact CE-CD1 4.25Å; I308-L310 PolarHBondContact O-N 3.02Å; I308-F313 HydrophobicContact CG2-CE2 4.49Å |
| 309 | N | 92.3 | Very high | 83.7 | Confident | 56 Ų | 56 | 67.6 Ų | 67.6 | 30% | 0.299 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 117.3 | 172.5 | -167.3 | -10.7 | 0 | 0 | 0 | 111 | V92 Y93 K311 P312 F313 | V92-N309 HydrophobicContact CG1-CB 3.55Å; Y93-N309 PolarHBondContact O-N 2.67Å; N309-K311 WeakPolarHBondContact OD1-CB 3.39Å; N309-K311 WeakPolarHBondContact OD1-CG 3.35Å; N309-K311 PolarHBondContact OD1-N 3.39Å; N309-K311 VanDerWaalsContact OD1-N 3.07Å; N309-P312 WeakPolarHBondContact O-CD 3.4Å; N309-F313 WeakPolarHBondContact O-CD2 3.36Å |
| 310 | L | 87.6 | Confident | 82.1 | Confident | 21 Ų | 21 | 75 Ų | 75 | 11% | 0.11 | 39% | 0.394 | C | S | . | . | trans | -80.9 | -25.1 | 179.5 | -74 | 173.5 | 0 | 0 | 0 | 113.8 | I277 I292 A295 I308 P312 F313 L314 | I277-L310 HydrophobicContact CD1-CD2 4.05Å; I292-L310 HydrophobicContact CB-CD1 4.48Å; I292-L310 HydrophobicContact CG2-CD1 3.78Å; I292-L310 HydrophobicContact CG2-CD2 4.15Å; A295-L310 HydrophobicContact CB-CD2 3.48Å; A295-L310 VanDerWaalsContact CB-CD2 3.48Å; A295-L310 HydrophobicContact CB-CG 4.07Å; I308-L310 PolarHBondContact O-N 3.02Å; L310-P312 VanDerWaalsContact C-N 3.33Å; L310-P312 VanDerWaalsContact O-N 3.16Å; L310-F313 PolarHBondContact O-N 2.92Å; L310-L314 HydrophobicContact CB-CD1 4.19Å; L310-L314 HydrophobicContact CB-CG 4.46Å; L310-L314 PolarHBondContact O-N 2.92Å | ||
| 311 | K | 85.3 | Confident | 80.6 | Confident | 180 Ų | 180 | 73 Ų | 73 | 78% | 0.783 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | -40.6 | -172.2 | -64.2 | 179.8 | 177.6 | -178 | 0 | 114.4 | N309 F313 | N309-K311 WeakPolarHBondContact OD1-CB 3.39Å; N309-K311 WeakPolarHBondContact OD1-CG 3.35Å; N309-K311 PolarHBondContact OD1-N 3.39Å; N309-K311 VanDerWaalsContact OD1-N 3.07Å; K311-F313 VanDerWaalsContact C-N 3.28Å; K311-F313 PolarHBondContact O-N 3.49Å |
| 312 | P | 84.1 | Confident | 79.2 | Confident | 90 Ų | 90 | 74.9 Ų | 74.9 | 58% | 0.584 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -14.9 | -179.5 | -18.7 | 33.7 | 0 | 0 | 0 | 115.1 | N309 L310 | N309-P312 WeakPolarHBondContact O-CD 3.4Å; L310-P312 VanDerWaalsContact C-N 3.33Å; L310-P312 VanDerWaalsContact O-N 3.16Å |
| 313 | F | 82.6 | Confident | 78 | Confident | 26 Ų | 26 | 80.2 Ų | 80.2 | 11% | 0.114 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | -14.9 | -169.4 | -59.7 | -73.3 | 0 | 0 | 0 | 113.8 | V95 L273 K274 I277 I308 N309 L310 K311 | V95-F313 HydrophobicContact CG2-CE2 3.87Å; V95-F313 HydrophobicContact CG2-CZ 3.71Å; L273-F313 HydrophobicContact CD2-CD2 4.28Å; L273-F313 HydrophobicContact CD2-CE1 4.21Å; L273-F313 HydrophobicContact CD2-CE2 3.8Å; L273-F313 HydrophobicContact CD2-CZ 3.77Å; K274-F313 HydrophobicContact CB-CD1 3.77Å; K274-F313 HydrophobicContact CB-CE1 4.2Å; K274-F313 HydrophobicContact CG-CD1 4.16Å; I277-F313 HydrophobicContact CB-CB 4.47Å; I277-F313 HydrophobicContact CD1-CB 3.71Å; I277-F313 HydrophobicContact CD1-CD2 4.19Å; I277-F313 HydrophobicContact CD1-CG 3.97Å; I277-F313 HydrophobicContact CG2-CB 4.18Å; I308-F313 HydrophobicContact CG2-CE2 4.49Å; N309-F313 WeakPolarHBondContact O-CD2 3.36Å; L310-F313 PolarHBondContact O-N 2.92Å; K311-F313 VanDerWaalsContact C-N 3.28Å; K311-F313 PolarHBondContact O-N 3.49Å |
| 314 | L | 80.8 | Confident | 76.8 | Confident | 64 Ų | 64 | 82.5 Ų | 82.5 | 34% | 0.335 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -78.1 | 133.9 | 175.8 | -67 | 172.5 | 0 | 0 | 0 | 109.4 | I277 F281 I292 L310 | I277-L314 HydrophobicContact CG2-CD2 4.22Å; F281-L314 HydrophobicContact CD2-CD2 3.88Å; F281-L314 HydrophobicContact CE2-CD2 4.09Å; I292-L314 HydrophobicContact CD1-CD2 4.18Å; L310-L314 HydrophobicContact CB-CD1 4.19Å; L310-L314 HydrophobicContact CB-CG 4.46Å; L310-L314 PolarHBondContact O-N 2.92Å |
| 315 | P | 72.7 | Confident | 75 | Confident | 59 Ų | 59 | 79 Ų | 79 | 38% | 0.383 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 147 | 172.2 | 30.5 | -34.8 | 0 | 0 | 0 | 110.2 | F281 I317 | F281-P315 HydrophobicContact CD1-CG 3.43Å; F281-P315 VanDerWaalsContact CD1-CG 3.43Å; F281-P315 HydrophobicContact CE1-CG 3.25Å; F281-P315 HydrophobicContact CG-CG 4.26Å; F281-P315 HydrophobicContact CZ-CG 3.97Å; P315-I317 PolarHBondContact O-N 3.09Å |
| 316 | E | 69.7 | Low | 73.3 | Confident | 191 Ų | 191 | 82.3 Ų | 82.3 | 89% | 0.893 | 40% | 0.403 | S | S | * | . | P | Polyproline II helix | trans | -65.5 | 121.1 | 170.5 | -65.9 | 178.7 | -178.3 | 0 | 0 | 108.7 | ||
| 317 | I | 68.7 | Low | 71.3 | Confident | 29 Ų | 29 | 82.7 Ų | 82.7 | 15% | 0.149 | 42% | 0.415 | C | S | . | . | P | Polyproline II helix | trans | -76.1 | 130.2 | 176.8 | -59.3 | 169.6 | 0 | 0 | 0 | 107 | F281 R284 S289 P315 K319 E321 E322 | F281-I317 HydrophobicContact CZ-CD1 4.15Å; F281-I317 HydrophobicContact CZ-CG1 4.08Å; R284-I317 VanDerWaalsContact NH1-CD1 3.31Å; S289-I317 VanDerWaalsContact CA-CD1 3.47Å; P315-I317 PolarHBondContact O-N 3.09Å; I317-K319 PolarHBondContact O-N 3.2Å; I317-E321 HydrophobicContact CG2-CB 3.75Å; I317-E321 WeakPolarHBondContact CG2-OE2 3.16Å; I317-E322 HydrophobicContact CB-CG 4.44Å; I317-E322 HydrophobicContact CG2-CG 4.07Å |
| 318 | P | 64.7 | Low | 69.5 | Low | 76 Ų | 76 | 87 Ų | 87 | 49% | 0.494 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -59 | 131.7 | 171.6 | -21.1 | 32.8 | 0 | 0 | 0 | 109.8 | E320 E321 | P318-E320 PolarHBondContact O-N 3.03Å; P318-E321 PolarHBondContact O-N 2.91Å |
| 319 | K | 61.9 | Low | 67.5 | Low | 159 Ų | 159 | 92 Ų | 92 | 69% | 0.691 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -50.3 | -27.5 | -178.2 | -68.3 | 178.7 | 176.9 | 179.7 | 0 | 114.6 | I317 E321 E322 E323 | I317-K319 PolarHBondContact O-N 3.2Å; K319-E321 VanDerWaalsContact C-N 3.31Å; K319-E321 PolarHBondContact O-N 3.46Å; K319-E322 WeakPolarHBondContact O-CB 3.47Å; K319-E322 PolarHBondContact O-N 3.47Å; K319-E322 VanDerWaalsContact O-N 3.17Å; K319-E323 PolarHBondContact O-N 3.1Å; K319-E323 VanDerWaalsContact O-N 3.11Å |
| 320 | E | 60.5 | Low | 65.3 | Low | 156 Ų | 156 | 94.2 Ų | 94.2 | 73% | 0.729 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -60.8 | -36.7 | 176.1 | -63.1 | 177.8 | -177.4 | 0 | 0 | 112.4 | P318 E324 | P318-E320 PolarHBondContact O-N 3.03Å; E320-E324 PolarHBondContact O-N 3.4Å |
| 321 | E | 58.7 | Low | 63.4 | Low | 50 Ų | 50 | 97 Ų | 97 | 23% | 0.234 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -74 | -33 | 174.6 | -63.9 | -176.2 | 171.9 | 0 | 0 | 111.2 | R284 P287 I317 P318 K319 E323 E324 E325 | R284-E321 IonicContact CZ-OE2 2.75Å; R284-E321 IonicContact NH2-OE2 3.98Å; R284-E321 PolarHBondContact NH2-OE2 3.26Å; P287-E321 HydrophobicContact CB-CB 4.09Å; P287-E321 VanDerWaalsContact CB-O 3.27Å; P287-E321 WeakPolarHBondContact CB-O 3.49Å; I317-E321 HydrophobicContact CG2-CB 3.75Å; I317-E321 WeakPolarHBondContact CG2-OE2 3.16Å; P318-E321 PolarHBondContact O-N 2.91Å; K319-E321 VanDerWaalsContact C-N 3.31Å; K319-E321 PolarHBondContact O-N 3.46Å; E321-E323 PolarHBondContact O-N 3.48Å; E321-E324 PolarHBondContact O-N 3.39Å; E321-E325 PolarHBondContact O-N 3.34Å; E321-E325 VanDerWaalsContact O-N 3.13Å |
| 322 | E | 57.9 | Low | 61.7 | Low | 88 Ų | 88 | 92.2 Ų | 92.2 | 41% | 0.411 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.5 | -39.7 | 177.4 | -61.1 | -178.4 | 160.4 | 0 | 0 | 111.5 | I317 K319 E325 E326 | I317-E322 HydrophobicContact CB-CG 4.44Å; I317-E322 HydrophobicContact CG2-CG 4.07Å; K319-E322 WeakPolarHBondContact O-CB 3.47Å; K319-E322 PolarHBondContact O-N 3.47Å; K319-E322 VanDerWaalsContact O-N 3.17Å; E322-E325 PolarHBondContact O-N 2.81Å; E322-E326 PolarHBondContact O-N 3.27Å |
| 323 | E | 58.4 | Low | 59.5 | Low | 146 Ų | 146 | 96.1 Ų | 96.1 | 68% | 0.682 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66.4 | -34.5 | 176.1 | -69.6 | -179.1 | -168.7 | 0 | 0 | 112.7 | K319 E321 G327 | K319-E323 PolarHBondContact O-N 3.1Å; K319-E323 VanDerWaalsContact O-N 3.11Å; E321-E323 PolarHBondContact O-N 3.48Å; E323-G327 PolarHBondContact O-N 3.39Å; E323-G327 VanDerWaalsContact O-N 3.11Å |
| 324 | E | 58.6 | Low | 57.3 | Low | 121 Ų | 121 | 103.7 Ų | 103.7 | 57% | 0.565 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -68.4 | -37.3 | 175.2 | -71.2 | -176.8 | 176.2 | 0 | 0 | 112.1 | P287 E320 E321 G327 D328 | P287-E324 HydrophobicContact CB-CB 3.9Å; P287-E324 HydrophobicContact CG-CB 3.85Å; E320-E324 PolarHBondContact O-N 3.4Å; E321-E324 PolarHBondContact O-N 3.39Å; E324-G327 PolarHBondContact O-N 2.83Å; E324-D328 PolarHBondContact O-N 2.91Å; E324-D328 VanDerWaalsContact O-N 3.11Å |
| 325 | E | 54.4 | Low | 56.1 | Low | 25 Ų | 25 | 105.7 Ų | 105.7 | 12% | 0.117 | 56% | 0.562 | C | S | . | * | H | α-helix | trans | -66.7 | -43.3 | 176.5 | -168.5 | 173.7 | -152.7 | 0 | 0 | 111.9 | P287 K288 S289 E321 E322 G327 D328 E329 | P287-E325 HydrophobicContact CB-CB 4.4Å; P287-E325 HydrophobicContact CG-CB 4.26Å; K288-E325 VanDerWaalsContact CA-OE1 3.27Å; K288-E325 WeakPolarHBondContact CA-OE1 3.47Å; S289-E325 WeakPolarHBondContact CB-OE2 3.18Å; S289-E325 VanDerWaalsContact N-CD 3.27Å; S289-E325 PolarHBondContact N-OE1 3.08Å; S289-E325 PolarHBondContact N-OE2 3.39Å; S289-E325 PolarHBondContact OG-OE2 3.25Å; E321-E325 PolarHBondContact O-N 3.34Å; E321-E325 VanDerWaalsContact O-N 3.13Å; E322-E325 PolarHBondContact O-N 2.81Å; E325-G327 VanDerWaalsContact C-N 3.33Å; E325-G327 PolarHBondContact O-N 3.28Å; E325-D328 PolarHBondContact O-N 3.17Å; E325-E329 PolarHBondContact O-N 2.96Å |
| 326 | E | 57.8 | Low | 55.3 | Low | 144 Ų | 144 | 108.2 Ų | 108.2 | 67% | 0.673 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -65.5 | -34.4 | 175.6 | -70.2 | -171.2 | 174.8 | 0 | 0 | 112.7 | E322 T330 | E322-E326 PolarHBondContact O-N 3.27Å; E326-T330 PolarHBondContact O-N 3.36Å; E326-T330 PolarHBondContact O-OG1 3.27Å |
| 327 | G | 52.6 | Low | 54.5 | Low | 35 Ų | 35 | 103.6 Ų | 103.6 | 36% | 0.361 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66.4 | -39.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | E323 E324 E325 T330 S331 | E323-G327 PolarHBondContact O-N 3.39Å; E323-G327 VanDerWaalsContact O-N 3.11Å; E324-G327 PolarHBondContact O-N 2.83Å; E325-G327 VanDerWaalsContact C-N 3.33Å; E325-G327 PolarHBondContact O-N 3.28Å; G327-T330 PolarHBondContact O-OG1 3.5Å; G327-S331 PolarHBondContact O-N 3.23Å |
| 328 | D | 55.2 | Low | 53.6 | Low | 106 Ų | 106 | 107.9 Ų | 107.9 | 57% | 0.567 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -70.1 | -40.6 | 177.5 | -88 | -10.2 | 0 | 0 | 0 | 111.8 | E324 E325 T330 S331 A332 | E324-D328 PolarHBondContact O-N 2.91Å; E324-D328 VanDerWaalsContact O-N 3.11Å; E325-D328 PolarHBondContact O-N 3.17Å; D328-T330 PolarHBondContact O-N 3.1Å; D328-S331 PolarHBondContact O-N 3.2Å; D328-S331 PolarHBondContact O-OG 3.03Å; D328-A332 PolarHBondContact O-N 3.25Å |
| 329 | E | 52.1 | Low | 52.9 | Low | 111 Ų | 111 | 109.9 Ų | 109.9 | 52% | 0.519 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -64.6 | -36.8 | 177.9 | -71.4 | -161.5 | 163.4 | 0 | 0 | 113.3 | E325 | E325-E329 PolarHBondContact O-N 2.96Å |
| 330 | T | 47.1 | Very low | 52.3 | Low | 102 Ų | 102 | 106.7 Ų | 106.7 | 63% | 0.626 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -71.7 | -30.5 | 178.1 | 46.6 | 0 | 0 | 0 | 0 | 112.9 | E326 G327 D328 | E326-T330 PolarHBondContact O-N 3.36Å; E326-T330 PolarHBondContact O-OG1 3.27Å; G327-T330 PolarHBondContact O-OG1 3.5Å; D328-T330 PolarHBondContact O-N 3.1Å |
| 331 | S | 47.5 | Very low | 51.8 | Low | 78 Ų | 78 | 103.1 Ų | 103.1 | 55% | 0.545 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -76.3 | -25 | 177.4 | 75.4 | 0 | 0 | 0 | 0 | 114 | G327 D328 | G327-S331 PolarHBondContact O-N 3.23Å; D328-S331 PolarHBondContact O-N 3.2Å; D328-S331 PolarHBondContact O-OG 3.03Å |
| 332 | A | 48.8 | Very low | 51.2 | Low | 81 Ų | 81 | 107.2 Ų | 107.2 | 67% | 0.669 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -10.8 | -179 | 0 | 0 | 0 | 0 | 0 | 114.5 | D328 | D328-A332 PolarHBondContact O-N 3.25Š|
| 333 | Q | 38.9 | Very low | 50.7 | Low | 171 Ų | 171 | 108.8 Ų | 108.8 | 80% | 0.799 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | 9.6 | -178.9 | -68.8 | -173.6 | 18.6 | 0 | 0 | 114.7 | ||
| 334 | T | 36.7 | Very low | 50 | Low | 186 Ų | 186 | 105.5 Ų | 105.5 | 100% | 1.141 | 60% | 0.598 | S | S | * | * | trans | -110.8 | 0 | 172.9 | -48.4 | 0 | 0 | 0 | 0 | 110.8 |
Retrieved 334 of 334 residues in 627.7 ms
(Link to these results)