| 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 | Q | 43.8 | Very low | 44.1 | Very low | 240 Ų | 240 | 141 Ų | 141 | 100% | 1.122 | 83% | 0.833 | S | S | * | * | 0 | 106.7 | 0 | -70.7 | 170.7 | -6.1 | 0 | 0 | 106.1 | |||||
| 2 | M | 39.1 | Very low | 44.4 | Very low | 186 Ų | 186 | 133.3 Ų | 133.3 | 92% | 0.916 | 81% | 0.805 | S | S | * | * | trans | -121.5 | 111.4 | 170.8 | -75.9 | -174 | -175.7 | 0 | 0 | 105.5 | N4 | M2-N4 PolarHBondContact O-N 3.13Š| ||
| 3 | E | 42.7 | Very low | 45.6 | Very low | 183 Ų | 183 | 127.2 Ų | 127.2 | 86% | 0.855 | 79% | 0.785 | S | S | * | * | trans | -78 | 100 | 176.6 | -64.5 | -177.5 | -173.5 | 0 | 0 | 107.9 | V5 | E3-V5 PolarHBondContact O-N 3.23Š| ||
| 4 | N | 42.6 | Very low | 47.1 | Very low | 155 Ų | 155 | 130.2 Ų | 130.2 | 83% | 0.829 | 79% | 0.793 | S | S | * | * | trans | -76.2 | 104.1 | 166.3 | -79.4 | -22.9 | 0 | 0 | 0 | 107.8 | M2 F6 | M2-N4 PolarHBondContact O-N 3.13Å; N4-F6 PolarHBondContact O-N 2.67Å; N4-F6 VanDerWaalsContact O-N 3.08Å | ||
| 5 | V | 42.8 | Very low | 48.2 | Very low | 123 Ų | 123 | 137.3 Ų | 137.3 | 75% | 0.745 | 80% | 0.8 | S | S | * | * | trans | -67.1 | 105.6 | 168.3 | 176.8 | 0 | 0 | 0 | 0 | 108 | E3 I7 | E3-V5 PolarHBondContact O-N 3.23Å; V5-I7 HydrophobicContact CG1-CG1 4.37Å; V5-I7 PolarHBondContact O-N 3.5Å; V5-I7 VanDerWaalsContact O-N 3.12Å | ||
| 6 | F | 36.2 | Very low | 48.7 | Very low | 189 Ų | 189 | 136.9 Ų | 136.9 | 83% | 0.829 | 79% | 0.794 | S | S | * | * | trans | -69.3 | 99.3 | 169.7 | -171.4 | -97.4 | 0 | 0 | 0 | 108.5 | N4 G8 | N4-F6 PolarHBondContact O-N 2.67Å; N4-F6 VanDerWaalsContact O-N 3.08Å; F6-G8 VanDerWaalsContact C-N 3.34Å; F6-G8 PolarHBondContact O-N 3.1Å | ||
| 7 | I | 47.4 | Very low | 49.4 | Very low | 157 Ų | 157 | 136.6 Ų | 136.6 | 81% | 0.805 | 79% | 0.788 | S | S | * | * | trans | -73.8 | 96.2 | 167.8 | -59.7 | 177.7 | 0 | 0 | 0 | 106.5 | V5 A9 | V5-I7 HydrophobicContact CG1-CG1 4.37Å; V5-I7 PolarHBondContact O-N 3.5Å; V5-I7 VanDerWaalsContact O-N 3.12Å; I7-A9 PolarHBondContact O-N 3.34Å | ||
| 8 | G | 40.5 | Very low | 50.3 | Low | 48 Ų | 48 | 134.9 Ų | 134.9 | 50% | 0.495 | 78% | 0.783 | S | S | . | * | trans | -57.4 | 132.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | F6 G10 | F6-G8 VanDerWaalsContact C-N 3.34Å; F6-G8 PolarHBondContact O-N 3.1Å; G8-G10 PolarHBondContact O-N 3.01Å | ||
| 9 | A | 47.7 | Very low | 50.9 | Low | 108 Ų | 108 | 140.7 Ų | 140.7 | 89% | 0.893 | 79% | 0.79 | S | S | * | * | trans | -56.9 | 117.2 | 171 | 0 | 0 | 0 | 0 | 0 | 111.4 | I7 | I7-A9 PolarHBondContact O-N 3.34Š| ||
| 10 | G | 48.9 | Very low | 51.3 | Low | 72 Ų | 72 | 142.2 Ų | 142.2 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | trans | -121.2 | 94 | 163.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | G8 G12 | G8-G10 PolarHBondContact O-N 3.01Å; G10-G12 PolarHBondContact O-N 3.37Å; G10-G12 VanDerWaalsContact O-N 3.13Å | ||
| 11 | G | 52.8 | Low | 51.9 | Low | 90 Ų | 90 | 140.8 Ų | 140.8 | 93% | 0.928 | 79% | 0.788 | S | S | * | * | trans | -61.6 | 109.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 12 | G | 48.4 | Very low | 52.8 | Low | 49 Ų | 49 | 141 Ų | 141 | 51% | 0.505 | 78% | 0.778 | S | S | . | * | trans | -113.3 | 92.4 | 163 | 0 | 0 | 0 | 0 | 0 | 108.4 | G10 | G10-G12 PolarHBondContact O-N 3.37Å; G10-G12 VanDerWaalsContact O-N 3.13Å | ||
| 13 | G | 59.8 | Low | 54.1 | Low | 53 Ų | 53 | 139.5 Ų | 139.5 | 55% | 0.546 | 76% | 0.763 | S | S | . | * | trans | -63.1 | 163 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | W15 N16 | G13-W15 CarbonylContact O-C 3.49Å; G13-W15 PolarHBondContact O-N 3.22Å; G13-N16 PolarHBondContact O-N 3.48Å; G13-N16 VanDerWaalsContact O-N 3.15Å | ||
| 14 | L | 67.1 | Low | 56 | Low | 170 Ų | 170 | 134.9 Ų | 134.9 | 89% | 0.89 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -54.2 | -6.4 | 178.2 | -167.9 | 61.4 | 0 | 0 | 0 | 114.7 | ||
| 15 | W | 63.3 | Low | 58.1 | Low | 237 Ų | 237 | 134.4 Ų | 134.4 | 90% | 0.898 | 74% | 0.735 | S | S | * | * | trans | -110.7 | 57.1 | 172.4 | -52.9 | 99.8 | 0 | 0 | 0 | 110.4 | G13 N17 | G13-W15 CarbonylContact O-C 3.49Å; G13-W15 PolarHBondContact O-N 3.22Å; W15-N17 PolarHBondContact O-N 3.3Å | ||
| 16 | N | 56.8 | Low | 60.3 | Low | 131 Ų | 131 | 135.3 Ų | 135.3 | 70% | 0.701 | 73% | 0.731 | S | S | * | * | trans | -69.8 | 86.6 | 166.6 | -110.7 | -28.3 | 0 | 0 | 0 | 107.8 | G13 P18 | G13-N16 PolarHBondContact O-N 3.48Å; G13-N16 VanDerWaalsContact O-N 3.15Å; N16-P18 WeakPolarHBondContact O-CD 3.32Å | ||
| 17 | N | 59.4 | Low | 62.8 | Low | 131 Ų | 131 | 128.2 Ų | 128.2 | 70% | 0.701 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 118.6 | 163.6 | -167.4 | 9.6 | 0 | 0 | 0 | 106.4 | W15 R19 | W15-N17 PolarHBondContact O-N 3.3Å; N17-R19 PolarHBondContact O-N 2.94Å; N17-R19 VanDerWaalsContact O-N 3.17Å |
| 18 | P | 65.3 | Low | 64.8 | Low | 106 Ų | 106 | 125.1 Ų | 125.1 | 69% | 0.688 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 130 | 171.6 | 20.3 | -30.4 | 0 | 0 | 0 | 108.3 | N16 H20 | N16-P18 WeakPolarHBondContact O-CD 3.32Å; P18-H20 PolarHBondContact O-N 3.36Å |
| 19 | R | 62 | Low | 67.3 | Low | 245 Ų | 245 | 128.8 Ų | 128.8 | 93% | 0.925 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -46 | 130.4 | 175.5 | -74.8 | -175.7 | -110.8 | -153.6 | -3.8 | 108.3 | N17 | N17-R19 PolarHBondContact O-N 2.94Å; N17-R19 VanDerWaalsContact O-N 3.17Å |
| 20 | H | 59.9 | Low | 69.6 | Low | 170 Ų | 170 | 128.5 Ų | 128.5 | 79% | 0.787 | 68% | 0.677 | S | S | * | * | trans | -30.7 | 129.6 | -179.5 | -100.3 | -87.7 | 0 | 0 | 0 | 112 | P18 R22 | P18-H20 PolarHBondContact O-N 3.36Å; H20-R22 PolarHBondContact O-N 2.66Å | ||
| 21 | P | 62.8 | Low | 71.7 | Confident | 114 Ų | 114 | 131.2 Ų | 131.2 | 74% | 0.74 | 67% | 0.668 | S | S | * | * | trans | -55.4 | 135.8 | 170.9 | 23.4 | -30.9 | 0 | 0 | 0 | 108.3 | Y23 | P21-Y23 PolarHBondContact O-N 3.48Š| ||
| 22 | R | 64 | Low | 73.7 | Confident | 245 Ų | 245 | 130.5 Ų | 130.5 | 93% | 0.925 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -50 | 127.6 | -178.8 | -64.7 | -173.1 | -176.3 | -158.1 | 2.6 | 108.9 | H20 N24 | H20-R22 PolarHBondContact O-N 2.66Å; R22-N24 PolarHBondContact O-N 3.4Å; R22-N24 VanDerWaalsContact O-N 3.13Å |
| 23 | Y | 66.5 | Low | 76 | Confident | 154 Ų | 154 | 133 Ų | 133 | 60% | 0.604 | 65% | 0.65 | S | S | * | * | trans | -7.1 | 98.3 | 171.8 | -172.3 | -100.1 | 0 | 0 | 0 | 114.6 | P21 K25 E28 | P21-Y23 PolarHBondContact O-N 3.48Å; Y23-K25 HydrophobicContact CD1-CG 4.18Å; Y23-K25 HydrophobicContact CE1-CG 3.68Å; Y23-E28 HydrophobicContact CE2-CG 4.08Å; Y23-E28 WeakPolarHBondContact CE2-OE1 3.42Å; Y23-E28 WeakPolarHBondContact CE2-OE2 3.33Å; Y23-E28 PolarHBondContact OH-OE2 3Å | ||
| 24 | N | 81.5 | Confident | 77.7 | Confident | 86 Ų | 86 | 138.4 Ų | 138.4 | 46% | 0.46 | 65% | 0.654 | S | S | . | * | trans | -94.6 | 111.3 | 173 | -175.1 | -12.5 | 0 | 0 | 0 | 108.5 | R22 E26 A27 E28 | R22-N24 PolarHBondContact O-N 3.4Å; R22-N24 VanDerWaalsContact O-N 3.13Å; N24-E26 VanDerWaalsContact C-N 3.26Å; N24-E26 PolarHBondContact O-N 3.09Å; N24-E26 WeakPolarHBondContact OD1-CB 3.39Å; N24-E26 PolarHBondContact OD1-N 2.97Å; N24-A27 HydrophobicContact CB-CB 4.11Å; N24-A27 WeakPolarHBondContact O-CB 3.42Å; N24-A27 PolarHBondContact O-N 3.12Å; N24-A27 VanDerWaalsContact O-N 3.09Å; N24-E28 PolarHBondContact O-N 3.36Å | ||
| 25 | K | 87.7 | Confident | 79.1 | Confident | 144 Ų | 144 | 137.3 Ų | 137.3 | 63% | 0.626 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -56.6 | -39.8 | 179.4 | -70.8 | -179.7 | 178 | -178.5 | 0 | 112.1 | Y23 A27 E28 E29 | Y23-K25 HydrophobicContact CD1-CG 4.18Å; Y23-K25 HydrophobicContact CE1-CG 3.68Å; K25-A27 PolarHBondContact O-N 3.32Å; K25-E28 PolarHBondContact O-N 3.46Å; K25-E29 WeakPolarHBondContact O-CG 3.5Å; K25-E29 PolarHBondContact O-N 2.71Å |
| 26 | E | 88.1 | Confident | 80.7 | Confident | 142 Ų | 142 | 131.5 Ų | 131.5 | 66% | 0.664 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -61.6 | -34.9 | 178.6 | -58.6 | 177.8 | 166.8 | 0 | 0 | 111.6 | N24 L30 | N24-E26 VanDerWaalsContact C-N 3.26Å; N24-E26 PolarHBondContact O-N 3.09Å; N24-E26 WeakPolarHBondContact OD1-CB 3.39Å; N24-E26 PolarHBondContact OD1-N 2.97Å; E26-L30 VanDerWaalsContact O-CB 3.31Å; E26-L30 WeakPolarHBondContact O-CB 3.41Å; E26-L30 PolarHBondContact O-N 3.5Å |
| 27 | A | 88.8 | Confident | 82.6 | Confident | 40 Ų | 40 | 131.1 Ų | 131.1 | 33% | 0.331 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -73.5 | -27.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | N24 K25 K31 | N24-A27 HydrophobicContact CB-CB 4.11Å; N24-A27 WeakPolarHBondContact O-CB 3.42Å; N24-A27 PolarHBondContact O-N 3.12Å; N24-A27 VanDerWaalsContact O-N 3.09Å; K25-A27 PolarHBondContact O-N 3.32Å; A27-K31 WeakPolarHBondContact O-CD 3.02Å; A27-K31 VanDerWaalsContact O-CG 3.22Å; A27-K31 WeakPolarHBondContact O-CG 3.24Å; A27-K31 PolarHBondContact O-N 3.06Å |
| 28 | E | 88.8 | Confident | 84.3 | Confident | 93 Ų | 93 | 126.9 Ų | 126.9 | 44% | 0.435 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -76.3 | -43.2 | 171.3 | -67.8 | -147.3 | 143.4 | 0 | 0 | 111.7 | Y23 N24 K25 L30 K31 S32 | Y23-E28 HydrophobicContact CE2-CG 4.08Å; Y23-E28 WeakPolarHBondContact CE2-OE1 3.42Å; Y23-E28 WeakPolarHBondContact CE2-OE2 3.33Å; Y23-E28 PolarHBondContact OH-OE2 3Å; N24-E28 PolarHBondContact O-N 3.36Å; K25-E28 PolarHBondContact O-N 3.46Å; E28-L30 VanDerWaalsContact C-N 3.33Å; E28-L30 PolarHBondContact O-N 3.18Å; E28-K31 WeakPolarHBondContact O-CB 3.1Å; E28-K31 PolarHBondContact O-N 2.95Å; E28-K31 VanDerWaalsContact O-N 3.14Å; E28-S32 PolarHBondContact O-N 2.96Å |
| 29 | E | 94.6 | Very high | 85.7 | Confident | 124 Ų | 124 | 126.4 Ų | 126.4 | 58% | 0.579 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -58.6 | -45.4 | 175.1 | -72.9 | 175.6 | -165.3 | 0 | 0 | 111 | K25 K31 S32 L33 | K25-E29 WeakPolarHBondContact O-CG 3.5Å; K25-E29 PolarHBondContact O-N 2.71Å; E29-K31 VanDerWaalsContact C-N 3.32Å; E29-K31 PolarHBondContact O-N 2.64Å; E29-S32 WeakPolarHBondContact O-CB 3.41Å; E29-S32 PolarHBondContact O-N 3.45Å; E29-S32 VanDerWaalsContact O-N 3.11Å; E29-L33 WeakPolarHBondContact O-CG 3.48Å; E29-L33 PolarHBondContact O-N 3.24Å |
| 30 | L | 94.4 | Very high | 87.3 | Confident | 103 Ų | 103 | 119.4 Ų | 119.4 | 54% | 0.539 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -61.4 | -38.5 | 175.8 | -175.1 | 64.3 | 0 | 0 | 0 | 112.8 | E26 E28 S32 R34 | E26-L30 VanDerWaalsContact O-CB 3.31Å; E26-L30 WeakPolarHBondContact O-CB 3.41Å; E26-L30 PolarHBondContact O-N 3.5Å; E28-L30 VanDerWaalsContact C-N 3.33Å; E28-L30 PolarHBondContact O-N 3.18Å; L30-S32 VanDerWaalsContact C-N 3.35Å; L30-R34 WeakPolarHBondContact O-CB 3.11Å; L30-R34 PolarHBondContact O-N 3.16Å |
| 31 | K | 93.6 | Very high | 88.9 | Confident | 129 Ų | 129 | 115.1 Ų | 115.1 | 56% | 0.561 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -67.5 | -37.2 | 175 | -74.9 | 168.6 | -170.6 | 170.8 | 0 | 111.6 | A27 E28 E29 K35 | A27-K31 WeakPolarHBondContact O-CD 3.02Å; A27-K31 VanDerWaalsContact O-CG 3.22Å; A27-K31 WeakPolarHBondContact O-CG 3.24Å; A27-K31 PolarHBondContact O-N 3.06Å; E28-K31 WeakPolarHBondContact O-CB 3.1Å; E28-K31 PolarHBondContact O-N 2.95Å; E28-K31 VanDerWaalsContact O-N 3.14Å; E29-K31 VanDerWaalsContact C-N 3.32Å; E29-K31 PolarHBondContact O-N 2.64Å; K31-K35 WeakPolarHBondContact O-CG 3.35Å; K31-K35 PolarHBondContact O-N 3.35Å |
| 32 | S | 95.4 | Very high | 90.5 | Very high | 74 Ų | 74 | 112.8 Ų | 112.8 | 52% | 0.517 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.2 | -49 | 176.6 | -164 | 0 | 0 | 0 | 0 | 110.9 | E28 E29 L30 R34 K35 E36 | E28-S32 PolarHBondContact O-N 2.96Å; E29-S32 WeakPolarHBondContact O-CB 3.41Å; E29-S32 PolarHBondContact O-N 3.45Å; E29-S32 VanDerWaalsContact O-N 3.11Å; L30-S32 VanDerWaalsContact C-N 3.35Å; S32-R34 VanDerWaalsContact C-N 3.32Å; S32-R34 PolarHBondContact O-N 2.89Å; S32-K35 WeakPolarHBondContact O-CB 3.43Å; S32-K35 PolarHBondContact O-N 2.93Å; S32-E36 PolarHBondContact O-N 3.41Å |
| 33 | L | 96.8 | Very high | 91.9 | Very high | 103 Ų | 103 | 105.1 Ų | 105.1 | 54% | 0.539 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -56.7 | -44.1 | 176.1 | -73.5 | 168.4 | 0 | 0 | 0 | 111.8 | E29 K35 E36 E37 | E29-L33 WeakPolarHBondContact O-CG 3.48Å; E29-L33 PolarHBondContact O-N 3.24Å; L33-K35 VanDerWaalsContact C-N 3.3Å; L33-K35 PolarHBondContact O-N 2.94Å; L33-E36 PolarHBondContact O-N 3.37Å; L33-E37 WeakPolarHBondContact O-CB 3.42Å; L33-E37 PolarHBondContact O-N 2.68Å |
| 34 | R | 95.6 | Very high | 93.1 | Very high | 165 Ų | 165 | 105.1 Ų | 105.1 | 62% | 0.623 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.2 | -36.1 | 176.9 | -176.2 | 177.7 | -68.4 | 162.8 | 0.3 | 112.9 | L30 S32 A38 | L30-R34 WeakPolarHBondContact O-CB 3.11Å; L30-R34 PolarHBondContact O-N 3.16Å; S32-R34 VanDerWaalsContact C-N 3.32Å; S32-R34 PolarHBondContact O-N 2.89Å; R34-A38 WeakPolarHBondContact O-CB 3.06Å; R34-A38 PolarHBondContact O-N 2.82Å |
| 35 | K | 96.6 | Very high | 93.6 | Very high | 148 Ų | 148 | 107.7 Ų | 107.7 | 64% | 0.643 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -68 | -46.4 | 176.6 | -75 | 175.9 | 179.7 | -180 | 0 | 110.8 | K31 S32 L33 E37 A38 D39 | K31-K35 WeakPolarHBondContact O-CG 3.35Å; K31-K35 PolarHBondContact O-N 3.35Å; S32-K35 WeakPolarHBondContact O-CB 3.43Å; S32-K35 PolarHBondContact O-N 2.93Å; L33-K35 VanDerWaalsContact C-N 3.3Å; L33-K35 PolarHBondContact O-N 2.94Å; K35-E37 VanDerWaalsContact C-N 3.33Å; K35-E37 PolarHBondContact O-N 2.73Å; K35-A38 PolarHBondContact O-N 2.63Å; K35-D39 PolarHBondContact O-N 2.79Å |
| 36 | E | 96.8 | Very high | 93.7 | Very high | 115 Ų | 115 | 106.8 Ų | 106.8 | 54% | 0.537 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.7 | -44.5 | 177 | -173.8 | 176.9 | -177.5 | 0 | 0 | 111.5 | S32 L33 A38 D39 L40 | S32-E36 PolarHBondContact O-N 3.41Å; L33-E36 PolarHBondContact O-N 3.37Å; E36-A38 PolarHBondContact O-N 3.02Å; E36-D39 PolarHBondContact O-N 3.36Å; E36-L40 WeakPolarHBondContact O-CG 3.39Å; E36-L40 PolarHBondContact O-N 3.31Å |
| 37 | E | 95 | Very high | 93.7 | Very high | 123 Ų | 123 | 105 Ų | 105 | 58% | 0.575 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.4 | -42.9 | 176.3 | -169.4 | -178.4 | -178.2 | 0 | 0 | 111.8 | L33 K35 D39 L40 I41 | L33-E37 WeakPolarHBondContact O-CB 3.42Å; L33-E37 PolarHBondContact O-N 2.68Å; K35-E37 VanDerWaalsContact C-N 3.33Å; K35-E37 PolarHBondContact O-N 2.73Å; E37-D39 VanDerWaalsContact C-N 3.34Å; E37-D39 PolarHBondContact O-N 2.82Å; E37-L40 PolarHBondContact O-N 2.78Å; E37-I41 HydrophobicContact CG-CD1 4.12Å; E37-I41 WeakPolarHBondContact O-CD1 3.21Å; E37-I41 VanDerWaalsContact O-CG1 3.25Å; E37-I41 WeakPolarHBondContact O-CG1 3.42Å; E37-I41 PolarHBondContact O-N 3.31Å |
| 38 | A | 95.3 | Very high | 93.4 | Very high | 42 Ų | 42 | 106.9 Ų | 106.9 | 35% | 0.347 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.7 | -38.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | R34 K35 E36 I41 N42 | R34-A38 WeakPolarHBondContact O-CB 3.06Å; R34-A38 PolarHBondContact O-N 2.82Å; K35-A38 PolarHBondContact O-N 2.63Å; E36-A38 PolarHBondContact O-N 3.02Å; A38-I41 PolarHBondContact O-N 3.33Å; A38-N42 WeakPolarHBondContact O-CB 3.48Å; A38-N42 PolarHBondContact O-N 3.34Å; A38-N42 PolarHBondContact O-ND2 2.76Å; A38-N42 VanDerWaalsContact O-ND2 3.12Å |
| 39 | D | 95.8 | Very high | 92.9 | Very high | 96 Ų | 96 | 106.7 Ų | 106.7 | 51% | 0.513 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.6 | -43.9 | 177.4 | -74.2 | -22.2 | 0 | 0 | 0 | 111.5 | K35 E36 E37 I41 N42 I43 | K35-D39 PolarHBondContact O-N 2.79Å; E36-D39 PolarHBondContact O-N 3.36Å; E37-D39 VanDerWaalsContact C-N 3.34Å; E37-D39 PolarHBondContact O-N 2.82Å; D39-I41 PolarHBondContact O-N 3.02Å; D39-N42 PolarHBondContact O-N 3.42Å; D39-I43 VanDerWaalsContact O-CG1 3.28Å; D39-I43 WeakPolarHBondContact O-CG1 3.37Å; D39-I43 PolarHBondContact O-N 3.1Å |
| 40 | L | 95.3 | Very high | 92.2 | Very high | 97 Ų | 97 | 109.1 Ų | 109.1 | 51% | 0.508 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.1 | -41.7 | 175.3 | -68.4 | 175.1 | 0 | 0 | 0 | 112.2 | E36 E37 N42 I43 K44 | E36-L40 WeakPolarHBondContact O-CG 3.39Å; E36-L40 PolarHBondContact O-N 3.31Å; E37-L40 PolarHBondContact O-N 2.78Å; L40-N42 VanDerWaalsContact C-N 3.32Å; L40-N42 PolarHBondContact O-N 3.27Å; L40-I43 PolarHBondContact O-N 3.46Å; L40-K44 WeakPolarHBondContact O-CG 3.48Å; L40-K44 PolarHBondContact O-N 3.03Å |
| 41 | I | 94.4 | Very high | 91.1 | Very high | 81 Ų | 81 | 107.9 Ų | 107.9 | 42% | 0.415 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.3 | -43.3 | 174.3 | -70.2 | 165.9 | 0 | 0 | 0 | 110.5 | E37 A38 D39 K44 R45 | E37-I41 HydrophobicContact CG-CD1 4.12Å; E37-I41 WeakPolarHBondContact O-CD1 3.21Å; E37-I41 VanDerWaalsContact O-CG1 3.25Å; E37-I41 WeakPolarHBondContact O-CG1 3.42Å; E37-I41 PolarHBondContact O-N 3.31Å; A38-I41 PolarHBondContact O-N 3.33Å; D39-I41 PolarHBondContact O-N 3.02Å; I41-K44 PolarHBondContact O-N 3.47Å; I41-R45 WeakPolarHBondContact O-CB 3.33Å; I41-R45 PolarHBondContact O-N 3.49Å |
| 42 | N | 94.6 | Very high | 89.5 | Confident | 64 Ų | 64 | 105.6 Ų | 105.6 | 34% | 0.342 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.5 | -36.9 | 178.7 | -74.6 | -30.8 | 0 | 0 | 0 | 112.4 | A38 D39 L40 R45 K46 | A38-N42 WeakPolarHBondContact O-CB 3.48Å; A38-N42 PolarHBondContact O-N 3.34Å; A38-N42 PolarHBondContact O-ND2 2.76Å; A38-N42 VanDerWaalsContact O-ND2 3.12Å; D39-N42 PolarHBondContact O-N 3.42Å; L40-N42 VanDerWaalsContact C-N 3.32Å; L40-N42 PolarHBondContact O-N 3.27Å; N42-R45 PolarHBondContact OD1-NH1 2.97Å; N42-K46 WeakPolarHBondContact O-CB 3.37Å; N42-K46 VanDerWaalsContact O-CG 3.27Å; N42-K46 WeakPolarHBondContact O-CG 3.35Å; N42-K46 PolarHBondContact O-N 3.03Å |
| 43 | I | 94.5 | Very high | 87.8 | Confident | 84 Ų | 84 | 108.5 Ų | 108.5 | 43% | 0.431 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64 | -52 | 174.5 | -69.3 | 162.9 | 0 | 0 | 0 | 110 | D39 L40 R45 K46 E47 | D39-I43 VanDerWaalsContact O-CG1 3.28Å; D39-I43 WeakPolarHBondContact O-CG1 3.37Å; D39-I43 PolarHBondContact O-N 3.1Å; L40-I43 PolarHBondContact O-N 3.46Å; I43-R45 VanDerWaalsContact C-N 3.29Å; I43-R45 PolarHBondContact O-N 2.8Å; I43-K46 WeakPolarHBondContact O-CB 3.46Å; I43-K46 PolarHBondContact O-N 3.31Å; I43-E47 HydrophobicContact CG2-CG 4.5Å; I43-E47 WeakPolarHBondContact O-CG 3.45Å; I43-E47 PolarHBondContact O-N 3.22Å |
| 44 | K | 92.4 | Very high | 85.8 | Confident | 154 Ų | 154 | 107.2 Ų | 107.2 | 67% | 0.67 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -57 | -41.9 | 176.8 | -73.7 | -177.6 | 178.5 | -179.7 | 0 | 112.4 | L40 I41 E47 S48 | L40-K44 WeakPolarHBondContact O-CG 3.48Å; L40-K44 PolarHBondContact O-N 3.03Å; I41-K44 PolarHBondContact O-N 3.47Å; K44-E47 PolarHBondContact O-N 3.44Å; K44-S48 WeakPolarHBondContact O-CB 3.43Å; K44-S48 PolarHBondContact O-N 3.31Å |
| 45 | R | 90.9 | Very high | 83.3 | Confident | 141 Ų | 141 | 106.2 Ų | 106.2 | 53% | 0.532 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.1 | -45.4 | 175.4 | -175 | -174.5 | -68.1 | 131.8 | -1.6 | 111.4 | I41 N42 I43 S48 I49 | I41-R45 WeakPolarHBondContact O-CB 3.33Å; I41-R45 PolarHBondContact O-N 3.49Å; N42-R45 PolarHBondContact OD1-NH1 2.97Å; I43-R45 VanDerWaalsContact C-N 3.29Å; I43-R45 PolarHBondContact O-N 2.8Å; R45-S48 PolarHBondContact O-N 3.44Å; R45-I49 HydrophobicContact CG-CD1 4.07Å; R45-I49 WeakPolarHBondContact O-CD1 3.35Å; R45-I49 VanDerWaalsContact O-CG1 3.29Å; R45-I49 WeakPolarHBondContact O-CG1 3.37Å; R45-I49 PolarHBondContact O-N 3.43Å; R45-I49 VanDerWaalsContact O-N 3.13Å |
| 46 | K | 90.2 | Very high | 81 | Confident | 124 Ų | 124 | 104.4 Ų | 104.4 | 54% | 0.539 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.3 | -41 | 178.1 | -75.8 | 172.4 | -179.1 | 176.5 | 0 | 111.8 | N42 I43 I49 R50 | N42-K46 WeakPolarHBondContact O-CB 3.37Å; N42-K46 VanDerWaalsContact O-CG 3.27Å; N42-K46 WeakPolarHBondContact O-CG 3.35Å; N42-K46 PolarHBondContact O-N 3.03Å; I43-K46 WeakPolarHBondContact O-CB 3.46Å; I43-K46 PolarHBondContact O-N 3.31Å; K46-I49 PolarHBondContact O-N 2.94Å; K46-R50 VanDerWaalsContact O-CG 3.32Å; K46-R50 WeakPolarHBondContact O-CG 3.23Å; K46-R50 PolarHBondContact O-N 3.3Å |
| 47 | E | 88.6 | Confident | 78.7 | Confident | 105 Ų | 105 | 107.9 Ų | 107.9 | 49% | 0.491 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -62.7 | -46.8 | 175.4 | -72.7 | 175.5 | 173.5 | 0 | 0 | 111.5 | I43 K44 I49 R50 S51 | I43-E47 HydrophobicContact CG2-CG 4.5Å; I43-E47 WeakPolarHBondContact O-CG 3.45Å; I43-E47 PolarHBondContact O-N 3.22Å; K44-E47 PolarHBondContact O-N 3.44Å; E47-I49 VanDerWaalsContact C-N 3.27Å; E47-I49 PolarHBondContact O-N 3.14Å; E47-R50 PolarHBondContact O-N 2.97Å; E47-R50 VanDerWaalsContact O-N 3.08Å; E47-S51 WeakPolarHBondContact O-CB 3.37Å; E47-S51 PolarHBondContact O-N 2.76Å; E47-S51 PolarHBondContact O-OG 2.91Å; E47-S51 VanDerWaalsContact O-OG 3.11Å |
| 48 | S | 81 | Confident | 76 | Confident | 80 Ų | 80 | 111 Ų | 111 | 56% | 0.559 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -57 | -40.5 | 176.4 | -175.6 | 0 | 0 | 0 | 0 | 112.5 | K44 R45 S52 | K44-S48 WeakPolarHBondContact O-CB 3.43Å; K44-S48 PolarHBondContact O-N 3.31Å; R45-S48 PolarHBondContact O-N 3.44Å; S48-S52 PolarHBondContact O-N 2.91Å; S48-S52 PolarHBondContact O-OG 2.96Å |
| 49 | I | 79.1 | Confident | 73.6 | Confident | 89 Ų | 89 | 115.3 Ų | 115.3 | 46% | 0.456 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -70.3 | -36 | 177.8 | -65.9 | 164.2 | 0 | 0 | 0 | 111.5 | R45 K46 E47 S52 N53 | R45-I49 HydrophobicContact CG-CD1 4.07Å; R45-I49 WeakPolarHBondContact O-CD1 3.35Å; R45-I49 VanDerWaalsContact O-CG1 3.29Å; R45-I49 WeakPolarHBondContact O-CG1 3.37Å; R45-I49 PolarHBondContact O-N 3.43Å; R45-I49 VanDerWaalsContact O-N 3.13Å; K46-I49 PolarHBondContact O-N 2.94Å; E47-I49 VanDerWaalsContact C-N 3.27Å; E47-I49 PolarHBondContact O-N 3.14Å; I49-S52 WeakPolarHBondContact CA-OG 3.32Å; I49-S52 PolarHBondContact O-OG 3.31Å; I49-N53 PolarHBondContact O-N 2.57Å |
| 50 | R | 79.9 | Confident | 70.9 | Confident | 174 Ų | 174 | 118.4 Ų | 118.4 | 66% | 0.657 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -69.4 | -42.3 | 175.9 | -72 | 176 | -162.2 | 174.4 | 4.1 | 111.3 | K46 E47 S52 N53 A54 | K46-R50 VanDerWaalsContact O-CG 3.32Å; K46-R50 WeakPolarHBondContact O-CG 3.23Å; K46-R50 PolarHBondContact O-N 3.3Å; E47-R50 PolarHBondContact O-N 2.97Å; E47-R50 VanDerWaalsContact O-N 3.08Å; R50-S52 VanDerWaalsContact C-N 3.35Å; R50-S52 PolarHBondContact O-N 3.48Å; R50-N53 PolarHBondContact O-N 3.35Å; R50-A54 PolarHBondContact O-N 2.64Å |
| 51 | S | 71.7 | Confident | 68.4 | Low | 78 Ų | 78 | 119.3 Ų | 119.3 | 55% | 0.545 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -66.5 | -34.1 | 177.8 | -60 | 0 | 0 | 0 | 0 | 112.5 | E47 N53 A54 | E47-S51 WeakPolarHBondContact O-CB 3.37Å; E47-S51 PolarHBondContact O-N 2.76Å; E47-S51 PolarHBondContact O-OG 2.91Å; E47-S51 VanDerWaalsContact O-OG 3.11Å; S51-N53 VanDerWaalsContact C-N 3.27Å; S51-N53 PolarHBondContact O-N 3.29Å; S51-A54 PolarHBondContact O-N 2.91Å |
| 52 | S | 60.5 | Low | 65.3 | Low | 80 Ų | 80 | 122.1 Ų | 122.1 | 56% | 0.559 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -70.4 | -21.9 | 173.6 | 62.4 | 0 | 0 | 0 | 0 | 113.7 | S48 I49 R50 | S48-S52 PolarHBondContact O-N 2.91Å; S48-S52 PolarHBondContact O-OG 2.96Å; I49-S52 WeakPolarHBondContact CA-OG 3.32Å; I49-S52 PolarHBondContact O-OG 3.31Å; R50-S52 VanDerWaalsContact C-N 3.35Å; R50-S52 PolarHBondContact O-N 3.48Å |
| 53 | N | 59.4 | Low | 62.3 | Low | 136 Ų | 136 | 124.7 Ų | 124.7 | 73% | 0.727 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | -2.2 | 176.4 | -73.2 | -8.2 | 0 | 0 | 0 | 113.3 | I49 R50 S51 | I49-N53 PolarHBondContact O-N 2.57Å; R50-N53 PolarHBondContact O-N 3.35Å; S51-N53 VanDerWaalsContact C-N 3.27Å; S51-N53 PolarHBondContact O-N 3.29Å |
| 54 | A | 54.3 | Low | 59.9 | Low | 75 Ų | 75 | 125.5 Ų | 125.5 | 62% | 0.62 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -108.1 | 7.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | R50 S51 | R50-A54 PolarHBondContact O-N 2.64Å; S51-A54 PolarHBondContact O-N 2.91Å |
| 55 | L | 42.4 | Very low | 57.3 | Low | 144 Ų | 144 | 123 Ų | 123 | 75% | 0.754 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -86.1 | 121.8 | 173.3 | -115.5 | 75.9 | 0 | 0 | 0 | 110.7 | Q57 | L55-Q57 PolarHBondContact O-N 3.25Š|
| 56 | P | 49.5 | Very low | 55.3 | Low | 111 Ų | 111 | 125.5 Ų | 125.5 | 72% | 0.721 | 71% | 0.711 | S | S | * | * | trans | -63.5 | 131.8 | 170.1 | 26.7 | -31 | 0 | 0 | 0 | 108.9 | Q58 | P56-Q58 PolarHBondContact O-N 2.93Š| ||
| 57 | Q | 47.5 | Very low | 52.9 | Low | 188 Ų | 188 | 128.5 Ų | 128.5 | 88% | 0.879 | 72% | 0.724 | S | S | * | * | trans | -50.8 | 109.4 | 175.7 | -66.9 | 179.1 | -20.5 | 0 | 0 | 109.6 | L55 T59 | L55-Q57 PolarHBondContact O-N 3.25Å; Q57-T59 PolarHBondContact O-N 3.04Å | ||
| 58 | Q | 39.5 | Very low | 50.9 | Low | 187 Ų | 187 | 128.9 Ų | 128.9 | 87% | 0.874 | 74% | 0.738 | S | S | * | * | trans | -70.4 | 112 | 164.5 | -77.3 | -174.1 | 10.1 | 0 | 0 | 107.9 | P56 | P56-Q58 PolarHBondContact O-N 2.93Š| ||
| 59 | T | 43.9 | Very low | 49.1 | Very low | 133 Ų | 133 | 132.1 Ų | 132.1 | 82% | 0.816 | 76% | 0.755 | S | S | * | * | trans | -64.6 | 124.8 | 169.3 | 49.4 | 0 | 0 | 0 | 0 | 109.9 | Q57 | Q57-T59 PolarHBondContact O-N 3.04Š| ||
| 60 | L | 39.4 | Very low | 47.5 | Very low | 162 Ų | 162 | 131.8 Ų | 131.8 | 85% | 0.848 | 77% | 0.766 | S | S | * | * | trans | -112.8 | 137.8 | 161 | -77.7 | 160.8 | 0 | 0 | 0 | 108.4 | ||||
| 61 | P | 42.5 | Very low | 46.1 | Very low | 116 Ų | 116 | 128.6 Ų | 128.6 | 75% | 0.753 | 77% | 0.77 | S | S | * | * | trans | -82.2 | 134.5 | -175.1 | 32.3 | -31.7 | 0 | 0 | 0 | 112.2 | ||||
| 62 | T | 30.4 | Very low | 45 | Very low | 139 Ų | 139 | 134.6 Ų | 134.6 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | trans | 38.3 | 110.6 | 139.4 | -47.5 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 63 | S | 31.3 | Very low | 44.6 | Very low | 118 Ų | 118 | 133.3 Ų | 133.3 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | -151.6 | 129.7 | 126.3 | 71 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 64 | A | 42.8 | Very low | 44.3 | Very low | 102 Ų | 102 | 134.5 Ų | 134.5 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | trans | -37 | 132.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 65 | S | 37.9 | Very low | 44.1 | Very low | 102 Ų | 102 | 140.5 Ų | 140.5 | 71% | 0.713 | 79% | 0.791 | S | S | * | * | trans | -158.9 | 119.1 | 135.4 | -176.5 | 0 | 0 | 0 | 0 | 108.4 | K67 | S65-K67 PolarHBondContact O-N 3.37Š| ||
| 66 | E | 49.7 | Very low | 44.7 | Very low | 193 Ų | 193 | 142.4 Ų | 142.4 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | trans | -49.5 | 118 | 177.3 | -61.7 | 170.5 | 169.7 | 0 | 0 | 111.4 | ||||
| 67 | K | 40.4 | Very low | 44.7 | Very low | 187 Ų | 187 | 142.2 Ų | 142.2 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | trans | -139.8 | 117.4 | 163 | -68 | -172.8 | -177.2 | 174 | 0 | 108.9 | S65 | S65-K67 PolarHBondContact O-N 3.37Š| ||
| 68 | S | 46.5 | Very low | 45.6 | Very low | 113 Ų | 113 | 141.8 Ų | 141.8 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | trans | -12.2 | 129.3 | 169 | 46.2 | 0 | 0 | 0 | 0 | 116.6 | A70 | S68-A70 PolarHBondContact O-N 2.91Š| ||
| 69 | T | 42.1 | Very low | 46.4 | Very low | 147 Ų | 147 | 138.8 Ų | 138.8 | 90% | 0.902 | 79% | 0.789 | S | S | * | * | trans | -65.9 | 81.9 | 164.6 | 52.8 | 0 | 0 | 0 | 0 | 109.9 | S71 | T69-S71 PolarHBondContact O-N 3.17Š| ||
| 70 | A | 45.2 | Very low | 47.3 | Very low | 83 Ų | 83 | 142.9 Ų | 142.9 | 69% | 0.686 | 79% | 0.789 | S | S | * | * | trans | -79.6 | 103.5 | 157.8 | 0 | 0 | 0 | 0 | 0 | 106.9 | S68 K72 | S68-A70 PolarHBondContact O-N 2.91Å; A70-K72 PolarHBondContact O-N 3.44Å; A70-K72 VanDerWaalsContact O-N 3.09Å | ||
| 71 | S | 50.1 | Low | 48.5 | Very low | 106 Ų | 106 | 146.1 Ų | 146.1 | 74% | 0.741 | 79% | 0.79 | S | S | * | * | trans | -49.1 | 118.4 | 169.7 | 55.1 | 0 | 0 | 0 | 0 | 108.8 | T69 S73 | T69-S71 PolarHBondContact O-N 3.17Å; S71-S73 PolarHBondContact O-N 3.32Å | ||
| 72 | K | 49.8 | Very low | 49.5 | Very low | 205 Ų | 205 | 147 Ų | 147 | 89% | 0.891 | 79% | 0.794 | S | S | * | * | trans | -66.8 | 85.1 | 165.9 | -73 | 177.8 | -179.6 | 172.2 | 0 | 107.1 | A70 D74 | A70-K72 PolarHBondContact O-N 3.44Å; A70-K72 VanDerWaalsContact O-N 3.09Å; K72-D74 PolarHBondContact O-N 2.91Å | ||
| 73 | S | 52.4 | Low | 51.7 | Low | 52 Ų | 52 | 146.4 Ų | 146.4 | 36% | 0.364 | 79% | 0.789 | S | S | . | * | trans | -71.7 | 118.8 | 161.6 | 51.4 | 0 | 0 | 0 | 0 | 106.6 | S71 Y75 | S71-S73 PolarHBondContact O-N 3.32Å; S73-Y75 PolarHBondContact O-N 3.04Å; S73-Y75 WeakPolarHBondContact OG-CD2 3.48Å; S73-Y75 WeakPolarHBondContact OG-CE2 3.45Å | ||
| 74 | D | 52.7 | Low | 54 | Low | 162 Ų | 162 | 150.3 Ų | 150.3 | 87% | 0.866 | 79% | 0.791 | S | S | * | * | trans | -60.7 | 81.3 | 163.4 | -74 | -38.4 | 0 | 0 | 0 | 108.4 | K72 Q76 | K72-D74 PolarHBondContact O-N 2.91Å; D74-Q76 PolarHBondContact O-N 3.24Å | ||
| 75 | Y | 49.8 | Very low | 55.9 | Low | 200 Ų | 200 | 153.8 Ų | 153.8 | 78% | 0.784 | 78% | 0.783 | S | S | * | * | trans | -73.1 | 89.5 | 165 | -68.8 | -60.7 | 0 | 0 | 0 | 106.5 | S73 C77 | S73-Y75 PolarHBondContact O-N 3.04Å; S73-Y75 WeakPolarHBondContact OG-CD2 3.48Å; S73-Y75 WeakPolarHBondContact OG-CE2 3.45Å; Y75-C77 PolarHBondContact O-N 3.11Å | ||
| 76 | Q | 55.4 | Low | 58.3 | Low | 184 Ų | 184 | 153.6 Ų | 153.6 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | trans | -59.6 | 87.5 | 156.7 | -161.6 | 167.1 | 22.8 | 0 | 0 | 106.9 | D74 K78 | D74-Q76 PolarHBondContact O-N 3.24Å; Q76-K78 VanDerWaalsContact C-N 3.33Å; Q76-K78 PolarHBondContact O-N 3.32Å | ||
| 77 | C | 50.3 | Low | 60 | Low | 107 Ų | 107 | 147.5 Ų | 147.5 | 72% | 0.723 | 76% | 0.757 | S | S | * | * | trans | -65.6 | 96.6 | 179.2 | -171.3 | 0 | 0 | 0 | 0 | 106.9 | Y75 | Y75-C77 PolarHBondContact O-N 3.11Š| ||
| 78 | K | 64.4 | Low | 62.2 | Low | 179 Ų | 179 | 145.9 Ų | 145.9 | 78% | 0.778 | 75% | 0.752 | S | S | * | * | trans | -52.6 | 139 | 169.4 | -62.4 | -148.7 | 179 | -167.8 | 0 | 107.3 | Q76 R80 | Q76-K78 VanDerWaalsContact C-N 3.33Å; Q76-K78 PolarHBondContact O-N 3.32Å; K78-R80 PolarHBondContact O-N 3.16Å | ||
| 79 | P | 56.9 | Low | 64.2 | Low | 125 Ų | 125 | 142.7 Ų | 142.7 | 81% | 0.812 | 73% | 0.733 | S | S | * | * | trans | -54.4 | 105.9 | -177.4 | 21.6 | -32.1 | 0 | 0 | 0 | 108.3 | R81 | P79-R81 PolarHBondContact O-N 3.41Š| ||
| 80 | R | 62.8 | Low | 66.2 | Low | 219 Ų | 219 | 137.1 Ų | 137.1 | 83% | 0.826 | 70% | 0.699 | S | S | * | * | trans | -62.9 | 115.4 | -177.9 | -159.4 | 174.3 | -168.5 | -104 | 3.7 | 104.7 | K78 T82 | K78-R80 PolarHBondContact O-N 3.16Å; R80-T82 PolarHBondContact O-N 3.15Å | ||
| 81 | R | 64.4 | Low | 68.2 | Low | 230 Ų | 230 | 142.2 Ų | 142.2 | 87% | 0.868 | 70% | 0.701 | S | S | * | * | trans | -47.6 | 117.9 | 173.1 | -70.9 | -178.3 | 179.7 | 176.4 | -0.4 | 106.4 | P79 V83 | P79-R81 PolarHBondContact O-N 3.41Å; R81-V83 VanDerWaalsContact C-N 3.26Å; R81-V83 PolarHBondContact O-N 3.39Å | ||
| 82 | T | 65 | Low | 70 | Confident | 135 Ų | 135 | 140 Ų | 140 | 83% | 0.828 | 69% | 0.689 | S | S | * | * | trans | -68.3 | 91.6 | -178.6 | 51 | 0 | 0 | 0 | 0 | 107.2 | R80 K84 | R80-T82 PolarHBondContact O-N 3.15Å; T82-K84 PolarHBondContact O-N 3.06Å | ||
| 83 | V | 75.9 | Confident | 71.7 | Confident | 125 Ų | 125 | 133.1 Ų | 133.1 | 76% | 0.758 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 122.6 | 172.9 | 179.7 | 0 | 0 | 0 | 0 | 106.5 | R81 R85 | R81-V83 VanDerWaalsContact C-N 3.26Å; R81-V83 PolarHBondContact O-N 3.39Å; V83-R85 PolarHBondContact O-N 3.4Å |
| 84 | K | 79.8 | Confident | 73.3 | Confident | 200 Ų | 200 | 138.1 Ų | 138.1 | 87% | 0.87 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 127.9 | 173.7 | -67.4 | -175.9 | 178.3 | -179.5 | 0 | 107.8 | T82 | T82-K84 PolarHBondContact O-N 3.06Š|
| 85 | R | 82.9 | Confident | 74.8 | Confident | 175 Ų | 175 | 135.1 Ų | 135.1 | 66% | 0.66 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 144.5 | 174.3 | -72.2 | -174.6 | -92.6 | 103.9 | -8 | 109.5 | V83 A89 C90 | V83-R85 PolarHBondContact O-N 3.4Å; R85-A89 HydrophobicContact CB-CB 4.4Å; R85-C90 PolarHBondContact NH1-SG 3.33Å |
| 86 | N | 87.6 | Confident | 76.5 | Confident | 98 Ų | 98 | 133.4 Ų | 133.4 | 52% | 0.524 | 68% | 0.676 | S | S | . | * | P | Polyproline II helix | trans | -69.9 | 162 | 173 | 68.3 | -5.6 | 0 | 0 | 0 | 110.2 | E88 A89 C90 | N86-E88 PolarHBondContact O-N 3.5Å; N86-A89 PolarHBondContact O-N 3.2Å; N86-A89 WeakPolarHBondContact OD1-CA 3.49Å; N86-A89 WeakPolarHBondContact OD1-CB 3.34Å; N86-A89 PolarHBondContact OD1-N 2.91Å; N86-C90 PolarHBondContact O-N 3.47Å; N86-C90 PolarHBondContact O-SG 3.23Å; N86-C90 VanDerWaalsContact O-SG 3.4Å |
| 87 | A | 85.5 | Confident | 78.1 | Confident | 66 Ų | 66 | 130.4 Ų | 130.4 | 55% | 0.545 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -58.9 | -36.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | C90 R91 | A87-C90 PolarHBondContact O-N 3.02Å; A87-R91 WeakPolarHBondContact O-CG 3.45Å; A87-R91 PolarHBondContact O-N 3.48Å |
| 88 | E | 87.5 | Confident | 80 | Confident | 152 Ų | 152 | 136.5 Ų | 136.5 | 71% | 0.71 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -66.3 | -47.1 | 177 | -168.6 | 179.5 | 179.2 | 0 | 0 | 112 | N86 C90 R91 A92 | N86-E88 PolarHBondContact O-N 3.5Å; E88-C90 VanDerWaalsContact C-N 3.27Å; E88-C90 PolarHBondContact O-N 3.11Å; E88-R91 CarbonylContact O-C 3.51Å; E88-R91 PolarHBondContact O-N 3.03Å; E88-R91 VanDerWaalsContact O-N 3.13Å; E88-A92 WeakPolarHBondContact O-CB 3.33Å; E88-A92 PolarHBondContact O-N 3.46Å |
| 89 | A | 87.2 | Confident | 81.3 | Confident | 47 Ų | 47 | 137.2 Ų | 137.2 | 39% | 0.388 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -68.6 | -24.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | R85 N86 | R85-A89 HydrophobicContact CB-CB 4.4Å; N86-A89 PolarHBondContact O-N 3.2Å; N86-A89 WeakPolarHBondContact OD1-CA 3.49Å; N86-A89 WeakPolarHBondContact OD1-CB 3.34Å; N86-A89 PolarHBondContact OD1-N 2.91Å |
| 90 | C | 84.2 | Confident | 82.9 | Confident | 30 Ų | 30 | 138.3 Ų | 138.3 | 20% | 0.203 | 67% | 0.672 | C | S | . | * | H | α-helix | trans | -68.3 | -47.2 | 168.8 | -70 | 0 | 0 | 0 | 0 | 110.8 | R85 N86 A87 E88 A92 Y96 | R85-C90 PolarHBondContact NH1-SG 3.33Å; N86-C90 PolarHBondContact O-N 3.47Å; N86-C90 PolarHBondContact O-SG 3.23Å; N86-C90 VanDerWaalsContact O-SG 3.4Å; A87-C90 PolarHBondContact O-N 3.02Å; E88-C90 VanDerWaalsContact C-N 3.27Å; E88-C90 PolarHBondContact O-N 3.11Å; C90-A92 VanDerWaalsContact C-N 3.3Å; C90-Y96 WeakPolarHBondContact O-CE2 3.44Å |
| 91 | R | 86.9 | Confident | 84.2 | Confident | 189 Ų | 189 | 136.3 Ų | 136.3 | 71% | 0.713 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -74.8 | -18.2 | -179.3 | -68.5 | 178.1 | -168.1 | 177.6 | 3.6 | 113.6 | A87 E88 Y96 | A87-R91 WeakPolarHBondContact O-CG 3.45Å; A87-R91 PolarHBondContact O-N 3.48Å; E88-R91 CarbonylContact O-C 3.51Å; E88-R91 PolarHBondContact O-N 3.03Å; E88-R91 VanDerWaalsContact O-N 3.13Å; R91-Y96 HydrophobicContact CG-CD2 4.48Å; R91-Y96 HydrophobicContact CG-CE2 4.29Å |
| 92 | A | 88.4 | Confident | 85.4 | Confident | 59 Ų | 59 | 132.7 Ų | 132.7 | 49% | 0.488 | 66% | 0.663 | S | S | . | * | S | Bend | trans | -60.6 | 140.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | E88 C90 | E88-A92 WeakPolarHBondContact O-CB 3.33Å; E88-A92 PolarHBondContact O-N 3.46Å; C90-A92 VanDerWaalsContact C-N 3.3Å |
| 93 | G | 85.6 | Confident | 86.4 | Confident | 62 Ų | 62 | 130.8 Ų | 130.8 | 64% | 0.639 | 65% | 0.653 | S | S | * | * | S | Bend | trans | 80 | -159 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 94 | K | 86.7 | Confident | 86.7 | Confident | 157 Ų | 157 | 127.5 Ų | 127.5 | 68% | 0.683 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -102.7 | 13.7 | -173.2 | -56 | -171.7 | 169.8 | -166.5 | 0 | 113.4 | Y96 E97 | K94-Y96 PolarHBondContact O-N 2.96Å; K94-E97 HydrophobicContact CB-CB 4.24Å; K94-E97 HydrophobicContact CB-CG 4.16Å; K94-E97 WeakPolarHBondContact CB-OE2 3.37Å; K94-E97 VanDerWaalsContact CD-OE2 3.26Å; K94-E97 WeakPolarHBondContact CD-OE2 3.22Å; K94-E97 VanDerWaalsContact CG-OE2 3.27Å; K94-E97 WeakPolarHBondContact CG-OE2 3.3Å; K94-E97 WeakPolarHBondContact O-CB 3.02Å; K94-E97 PolarHBondContact O-N 3.43Å |
| 95 | S | 84.3 | Confident | 86.9 | Confident | 98 Ų | 98 | 124.2 Ų | 124.2 | 69% | 0.685 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.3 | -22.3 | -172.4 | -51.4 | 0 | 0 | 0 | 0 | 114.2 | ||
| 96 | Y | 84.2 | Confident | 86.9 | Confident | 164 Ų | 164 | 125.3 Ų | 125.3 | 64% | 0.643 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.5 | 0.6 | 177.7 | -64 | -74.5 | 0 | 0 | 0 | 113.1 | C90 R91 K94 R98 | C90-Y96 WeakPolarHBondContact O-CE2 3.44Å; R91-Y96 HydrophobicContact CG-CD2 4.48Å; R91-Y96 HydrophobicContact CG-CE2 4.29Å; K94-Y96 PolarHBondContact O-N 2.96Å; Y96-R98 PolarHBondContact O-N 2.98Å |
| 97 | E | 89.8 | Confident | 86.7 | Confident | 122 Ų | 122 | 128.2 Ų | 128.2 | 57% | 0.57 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 124.4 | 171.9 | -65.9 | 180 | -173.9 | 0 | 0 | 107.8 | K94 | K94-E97 HydrophobicContact CB-CB 4.24Å; K94-E97 HydrophobicContact CB-CG 4.16Å; K94-E97 WeakPolarHBondContact CB-OE2 3.37Å; K94-E97 VanDerWaalsContact CD-OE2 3.26Å; K94-E97 WeakPolarHBondContact CD-OE2 3.22Å; K94-E97 VanDerWaalsContact CG-OE2 3.27Å; K94-E97 WeakPolarHBondContact CG-OE2 3.3Å; K94-E97 WeakPolarHBondContact O-CB 3.02Å; K94-E97 PolarHBondContact O-N 3.43Å |
| 98 | R | 90.6 | Very high | 86.7 | Confident | 234 Ų | 234 | 128.1 Ų | 128.1 | 88% | 0.883 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 135.8 | 172.8 | -68.7 | -177.3 | 174.1 | -132.3 | -0.2 | 108.3 | Y96 M100 | Y96-R98 PolarHBondContact O-N 2.98Å; R98-M100 PolarHBondContact O-N 3.3Å |
| 99 | E | 90.6 | Very high | 86.8 | Confident | 194 Ų | 194 | 126.5 Ų | 126.5 | 91% | 0.907 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 134 | 168.9 | -67 | -178.4 | -179.9 | 0 | 0 | 109.4 | F101 | E99-F101 PolarHBondContact O-N 3.22Š|
| 100 | M | 91 | Very high | 86.9 | Confident | 148 Ų | 148 | 128.8 Ų | 128.8 | 73% | 0.729 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 134.7 | 174 | -62.5 | -59 | -70.2 | 0 | 0 | 108.3 | R98 H102 | R98-M100 PolarHBondContact O-N 3.3Å; M100-H102 PolarHBondContact O-CE1 3.25Å; M100-H102 VanDerWaalsContact O-CE1 3.25Å; M100-H102 PolarHBondContact O-N 3.05Å; M100-H102 PolarHBondContact O-ND1 2.8Å |
| 101 | F | 91.4 | Very high | 87 | Confident | 177 Ų | 177 | 131.1 Ų | 131.1 | 78% | 0.776 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 121.3 | 173 | 173.7 | -107.8 | 0 | 0 | 0 | 109.1 | E99 P103 | E99-F101 PolarHBondContact O-N 3.22Å; F101-P103 HydrophobicContact CD1-CG 4.49Å; F101-P103 HydrophobicContact CE1-CB 3.65Å; F101-P103 HydrophobicContact CE1-CG 4.04Å; F101-P103 HydrophobicContact CZ-CB 3.97Å |
| 102 | H | 87.6 | Confident | 87.1 | Confident | 155 Ų | 155 | 125 Ų | 125 | 72% | 0.718 | 63% | 0.632 | S | S | * | * | trans | -107.1 | 102.9 | 172 | -61.6 | 76.6 | 0 | 0 | 0 | 106.8 | M100 G104 | M100-H102 PolarHBondContact O-CE1 3.25Å; M100-H102 VanDerWaalsContact O-CE1 3.25Å; M100-H102 PolarHBondContact O-N 3.05Å; M100-H102 PolarHBondContact O-ND1 2.8Å; H102-G104 PolarHBondContact O-N 3.41Å | ||
| 103 | P | 86.2 | Confident | 87.2 | Confident | 94 Ų | 94 | 128.1 Ų | 128.1 | 61% | 0.61 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 137.6 | 174.1 | 19.5 | -26.4 | 0 | 0 | 0 | 109.3 | F101 | F101-P103 HydrophobicContact CD1-CG 4.49Å; F101-P103 HydrophobicContact CE1-CB 3.65Å; F101-P103 HydrophobicContact CE1-CG 4.04Å; F101-P103 HydrophobicContact CZ-CB 3.97Å |
| 104 | G | 83.7 | Confident | 87.3 | Confident | 56 Ų | 56 | 130.7 Ų | 130.7 | 58% | 0.577 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -62 | 169.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | H102 Y106 | H102-G104 PolarHBondContact O-N 3.41Å; G104-Y106 PolarHBondContact O-N 3.49Å |
| 105 | P | 83.3 | Confident | 87.5 | Confident | 132 Ų | 132 | 129 Ų | 129 | 86% | 0.857 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -48 | 126.6 | 176.5 | -26.6 | 34.3 | 0 | 0 | 0 | 111.3 | R107 | P105-R107 PolarHBondContact O-N 2.96Š|
| 106 | Y | 82.5 | Confident | 87.8 | Confident | 198 Ų | 198 | 128.5 Ų | 128.5 | 78% | 0.776 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 119.5 | 178.3 | -178.7 | -100.6 | 0 | 0 | 0 | 108.8 | G104 D108 | G104-Y106 PolarHBondContact O-N 3.49Å; Y106-D108 HydrophobicContact CE1-CB 4.26Å |
| 107 | R | 83.7 | Confident | 88.2 | Confident | 158 Ų | 158 | 127.1 Ų | 127.1 | 60% | 0.596 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -96.4 | 123.5 | 169.5 | -66.4 | 177.8 | 77.1 | 174.2 | 2.3 | 106.9 | P105 M109 E112 | P105-R107 PolarHBondContact O-N 2.96Å; R107-M109 PolarHBondContact O-N 3.41Å; R107-E112 IonicContact CZ-OE2 2.74Å; R107-E112 IonicContact NE-OE2 3.65Å; R107-E112 VanDerWaalsContact NH2-CD 3.34Å; R107-E112 IonicContact NH2-OE1 2.8Å; R107-E112 IonicContact NH2-OE2 3.79Å; R107-E112 PolarHBondContact NH2-OE2 3.24Å |
| 108 | D | 86.1 | Confident | 88.2 | Confident | 64 Ų | 64 | 123.3 Ų | 123.3 | 34% | 0.342 | 59% | 0.587 | S | S | . | * | trans | -69.3 | 115.7 | 171.8 | -168.7 | -23.5 | 0 | 0 | 0 | 108.8 | Y106 D110 D111 E112 | Y106-D108 HydrophobicContact CE1-CB 4.26Å; D108-D110 PolarHBondContact O-N 3.35Å; D108-D110 PolarHBondContact OD1-N 3.43Å; D108-D111 HydrophobicContact CB-CB 4.01Å; D108-D111 PolarHBondContact O-N 2.89Å; D108-E112 PolarHBondContact O-N 2.92Å; D108-E112 VanDerWaalsContact O-N 3.07Å | ||
| 109 | M | 88.6 | Confident | 88.2 | Confident | 118 Ų | 118 | 115.9 Ų | 115.9 | 58% | 0.581 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.8 | -29.1 | -178.9 | -66 | -58.1 | -62.5 | 0 | 0 | 111.4 | R107 K113 | R107-M109 PolarHBondContact O-N 3.41Å; M109-K113 WeakPolarHBondContact O-CB 3.36Å; M109-K113 WeakPolarHBondContact O-CG 3.4Å; M109-K113 PolarHBondContact O-N 3.11Å |
| 110 | D | 88.9 | Confident | 88.2 | Confident | 96 Ų | 96 | 113.7 Ų | 113.7 | 51% | 0.513 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -77.3 | -31.3 | -179.9 | -67.7 | -24.1 | 0 | 0 | 0 | 111.7 | D108 K113 R114 | D108-D110 PolarHBondContact O-N 3.35Å; D108-D110 PolarHBondContact OD1-N 3.43Å; D110-K113 IonicContact OD1-NZ 3.22Å; D110-K113 PolarHBondContact OD1-NZ 3.04Å; D110-R114 WeakPolarHBondContact O-CB 3.34Å; D110-R114 PolarHBondContact O-N 2.96Å; D110-R114 VanDerWaalsContact O-N 3.08Å; D110-R114 PolarHBondContact O-NH1 3.13Å |
| 111 | D | 86.6 | Confident | 88.2 | Confident | 78 Ų | 78 | 110.7 Ų | 110.7 | 42% | 0.417 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -68 | -43.3 | 169.9 | -73.3 | -13.7 | 0 | 0 | 0 | 112.1 | D108 R114 R115 | D108-D111 HydrophobicContact CB-CB 4.01Å; D108-D111 PolarHBondContact O-N 2.89Å; D111-R114 PolarHBondContact O-N 3.35Å; D111-R114 IonicContact OD1-CZ 2.92Å; D111-R114 VanDerWaalsContact OD1-CZ 3.22Å; D111-R114 IonicContact OD1-NH1 3.63Å; D111-R114 PolarHBondContact OD1-NH1 3.5Å; D111-R114 IonicContact OD1-NH2 3.22Å; D111-R114 PolarHBondContact OD1-NH2 3.39Å; D111-R115 VanDerWaalsContact O-CB 3.27Å; D111-R115 WeakPolarHBondContact O-CB 3.35Å; D111-R115 PolarHBondContact O-N 2.91Å |
| 112 | E | 89.1 | Confident | 88 | Confident | 61 Ų | 61 | 106 Ų | 106 | 29% | 0.285 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.8 | -41.4 | 177.8 | -168.2 | 67.4 | -142.6 | 0 | 0 | 111.6 | R107 D108 R114 R115 L116 | R107-E112 IonicContact CZ-OE2 2.74Å; R107-E112 IonicContact NE-OE2 3.65Å; R107-E112 VanDerWaalsContact NH2-CD 3.34Å; R107-E112 IonicContact NH2-OE1 2.8Å; R107-E112 IonicContact NH2-OE2 3.79Å; R107-E112 PolarHBondContact NH2-OE2 3.24Å; D108-E112 PolarHBondContact O-N 2.92Å; D108-E112 VanDerWaalsContact O-N 3.07Å; E112-R114 PolarHBondContact O-N 3.46Å; E112-R115 PolarHBondContact O-N 2.91Å; E112-L116 WeakPolarHBondContact O-CB 3.47Å; E112-L116 PolarHBondContact O-N 2.91Å |
| 113 | K | 91.3 | Very high | 88 | Confident | 125 Ų | 125 | 100.7 Ų | 100.7 | 54% | 0.543 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -56.8 | -50 | 173.6 | -78 | 170.7 | -159.1 | 161.5 | 0 | 111.1 | M109 D110 L116 Q117 | M109-K113 WeakPolarHBondContact O-CB 3.36Å; M109-K113 WeakPolarHBondContact O-CG 3.4Å; M109-K113 PolarHBondContact O-N 3.11Å; D110-K113 IonicContact OD1-NZ 3.22Å; D110-K113 PolarHBondContact OD1-NZ 3.04Å; K113-L116 PolarHBondContact O-N 3.39Å; K113-Q117 WeakPolarHBondContact O-CB 3.49Å; K113-Q117 PolarHBondContact O-N 2.91Å |
| 114 | R | 88 | Confident | 87.9 | Confident | 115 Ų | 115 | 104.9 Ų | 104.9 | 43% | 0.434 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.5 | -44.3 | -180 | -175.8 | 174 | 67 | -98.9 | 4.1 | 111.6 | D110 D111 E112 L116 Q117 N118 | D110-R114 WeakPolarHBondContact O-CB 3.34Å; D110-R114 PolarHBondContact O-N 2.96Å; D110-R114 VanDerWaalsContact O-N 3.08Å; D110-R114 PolarHBondContact O-NH1 3.13Å; D111-R114 PolarHBondContact O-N 3.35Å; D111-R114 IonicContact OD1-CZ 2.92Å; D111-R114 VanDerWaalsContact OD1-CZ 3.22Å; D111-R114 IonicContact OD1-NH1 3.63Å; D111-R114 PolarHBondContact OD1-NH1 3.5Å; D111-R114 IonicContact OD1-NH2 3.22Å; D111-R114 PolarHBondContact OD1-NH2 3.39Å; E112-R114 PolarHBondContact O-N 3.46Å; R114-L116 VanDerWaalsContact C-N 3.31Å; R114-L116 PolarHBondContact O-N 3.32Å; R114-Q117 PolarHBondContact O-N 3.03Å; R114-N118 WeakPolarHBondContact O-CB 3.36Å; R114-N118 VanDerWaalsContact O-CG 3.32Å; R114-N118 PolarHBondContact O-N 3.17Å; R114-N118 PolarHBondContact O-OD1 3.07Å |
| 115 | R | 89.5 | Confident | 87.8 | Confident | 122 Ų | 122 | 108.3 Ų | 108.3 | 46% | 0.46 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -56.3 | -47 | 175.4 | 179.6 | -174.5 | 172.6 | 165.5 | -2.4 | 111.3 | D111 E112 F119 Y125 | D111-R115 VanDerWaalsContact O-CB 3.27Å; D111-R115 WeakPolarHBondContact O-CB 3.35Å; D111-R115 PolarHBondContact O-N 2.91Å; E112-R115 PolarHBondContact O-N 2.91Å; R115-F119 WeakPolarHBondContact O-CB 3.27Å; R115-F119 PolarHBondContact O-N 3.43Å; R115-Y125 HydrophobicContact CG-CD1 3.57Å; R115-Y125 HydrophobicContact CG-CE1 3.72Å; R115-Y125 VanDerWaalsContact NE-CD1 3.31Å |
| 116 | L | 90.9 | Very high | 87 | Confident | 87 Ų | 87 | 106.1 Ų | 106.1 | 46% | 0.455 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -70.2 | -40.8 | -178.8 | -172.9 | 62.4 | 0 | 0 | 0 | 111.7 | E112 K113 R114 N118 F119 M120 | E112-L116 WeakPolarHBondContact O-CB 3.47Å; E112-L116 PolarHBondContact O-N 2.91Å; K113-L116 PolarHBondContact O-N 3.39Å; R114-L116 VanDerWaalsContact C-N 3.31Å; R114-L116 PolarHBondContact O-N 3.32Å; L116-N118 PolarHBondContact O-N 3.04Å; L116-F119 PolarHBondContact O-N 3.43Å; L116-M120 HydrophobicContact CD1-CG 4.4Å; L116-M120 HydrophobicContact CG-CG 4.36Å; L116-M120 HydrophobicContact CG-SD 4.12Å; L116-M120 WeakPolarHBondContact O-CB 3.38Å; L116-M120 VanDerWaalsContact O-CG 3.32Å; L116-M120 WeakPolarHBondContact O-CG 2.98Å; L116-M120 PolarHBondContact O-N 2.92Å |
| 117 | Q | 92.8 | Very high | 86 | Confident | 135 Ų | 135 | 102.4 Ų | 102.4 | 63% | 0.631 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -58.3 | -48.4 | 175.3 | -175.4 | -179.9 | 10.2 | 0 | 0 | 111.3 | K113 R114 F119 M120 A121 | K113-Q117 WeakPolarHBondContact O-CB 3.49Å; K113-Q117 PolarHBondContact O-N 2.91Å; R114-Q117 PolarHBondContact O-N 3.03Å; Q117-F119 VanDerWaalsContact C-N 3.29Å; Q117-F119 PolarHBondContact O-N 2.93Å; Q117-M120 PolarHBondContact O-N 3.36Å; Q117-A121 WeakPolarHBondContact O-CB 3.15Å; Q117-A121 PolarHBondContact O-N 2.96Å |
| 118 | N | 89.2 | Confident | 84.9 | Confident | 42 Ų | 42 | 100.3 Ų | 100.3 | 23% | 0.225 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -61.8 | -40.1 | 177.3 | -70.5 | 2.6 | 0 | 0 | 0 | 111.3 | R114 L116 T122 E126 | R114-N118 WeakPolarHBondContact O-CB 3.36Å; R114-N118 VanDerWaalsContact O-CG 3.32Å; R114-N118 PolarHBondContact O-N 3.17Å; R114-N118 PolarHBondContact O-OD1 3.07Å; L116-N118 PolarHBondContact O-N 3.04Å; N118-T122 WeakPolarHBondContact O-CB 3.3Å; N118-T122 PolarHBondContact O-N 3.18Å; N118-T122 PolarHBondContact O-OG1 3.16Å; N118-E126 PolarHBondContact ND2-OE2 3.36Å |
| 119 | F | 91.1 | Very high | 83.5 | Confident | 78 Ų | 78 | 100.8 Ų | 100.8 | 34% | 0.342 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.5 | -43.4 | 175.3 | -179 | -95.6 | 0 | 0 | 0 | 112.6 | R115 L116 Q117 A121 G123 Y125 | R115-F119 WeakPolarHBondContact O-CB 3.27Å; R115-F119 PolarHBondContact O-N 3.43Å; L116-F119 PolarHBondContact O-N 3.43Å; Q117-F119 VanDerWaalsContact C-N 3.29Å; Q117-F119 PolarHBondContact O-N 2.93Å; F119-A121 VanDerWaalsContact C-N 3.35Å; F119-G123 WeakPolarHBondContact O-CA 3.33Å; F119-G123 PolarHBondContact O-N 3.14Å; F119-Y125 HydrophobicContact CB-CD1 4.17Å; F119-Y125 HydrophobicContact CB-CE1 3.9Å; F119-Y125 HydrophobicContact CD2-CD1 4.22Å; F119-Y125 HydrophobicContact CD2-CD2 4.17Å; F119-Y125 AromaticContact CD2-CE1 3.91Å; F119-Y125 HydrophobicContact CD2-CE1 3.91Å; F119-Y125 AromaticContact CD2-CE2 3.87Å; F119-Y125 HydrophobicContact CD2-CE2 3.87Å; F119-Y125 HydrophobicContact CD2-CG 4.34Å; F119-Y125 AromaticContact CD2-CZ 3.73Å; F119-Y125 HydrophobicContact CE2-CE2 4.07Å; F119-Y125 HydrophobicContact CG-CE1 4.03Å |
| 120 | M | 91.4 | Very high | 82 | Confident | 149 Ų | 149 | 102.8 Ų | 102.8 | 73% | 0.734 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -67.2 | -37 | 178.8 | -72 | 179.9 | 72.8 | 0 | 0 | 112 | L116 Q117 | L116-M120 HydrophobicContact CD1-CG 4.4Å; L116-M120 HydrophobicContact CG-CG 4.36Å; L116-M120 HydrophobicContact CG-SD 4.12Å; L116-M120 WeakPolarHBondContact O-CB 3.38Å; L116-M120 VanDerWaalsContact O-CG 3.32Å; L116-M120 WeakPolarHBondContact O-CG 2.98Å; L116-M120 PolarHBondContact O-N 2.92Å; Q117-M120 PolarHBondContact O-N 3.36Å |
| 121 | A | 90 | Very high | 80.4 | Confident | 85 Ų | 85 | 101.3 Ų | 101.3 | 70% | 0.702 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -74 | -46.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q117 F119 | Q117-A121 WeakPolarHBondContact O-CB 3.15Å; Q117-A121 PolarHBondContact O-N 2.96Å; F119-A121 VanDerWaalsContact C-N 3.35Å |
| 122 | T | 86.6 | Confident | 78.8 | Confident | 77 Ų | 77 | 105 Ų | 105 | 47% | 0.472 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -108.7 | -11.2 | -167.7 | -40 | 0 | 0 | 0 | 0 | 112.9 | N118 R124 | N118-T122 WeakPolarHBondContact O-CB 3.3Å; N118-T122 PolarHBondContact O-N 3.18Å; N118-T122 PolarHBondContact O-OG1 3.16Å; T122-R124 PolarHBondContact O-N 3.49Å |
| 123 | G | 88.2 | Confident | 77.3 | Confident | 44 Ų | 44 | 111.3 Ų | 111.3 | 45% | 0.454 | 58% | 0.575 | S | S | . | * | S | Bend | trans | 68.7 | 13 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | F119 | F119-G123 WeakPolarHBondContact O-CA 3.33Å; F119-G123 PolarHBondContact O-N 3.14Å |
| 124 | R | 84 | Confident | 75.5 | Confident | 183 Ų | 183 | 114.4 Ų | 114.4 | 69% | 0.691 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -138.3 | 146 | -174.3 | -57.2 | -81.8 | -153.3 | -86.2 | -5.9 | 108.8 | T122 | T122-R124 PolarHBondContact O-N 3.49Š|
| 125 | Y | 80.9 | Confident | 73.8 | Confident | 128 Ų | 128 | 113 Ų | 113 | 50% | 0.502 | 60% | 0.601 | S | S | . | * | P | Polyproline II helix | trans | -79 | 124 | 166.1 | -65.4 | -69.4 | 0 | 0 | 0 | 108.4 | R115 F119 | R115-Y125 HydrophobicContact CG-CD1 3.57Å; R115-Y125 HydrophobicContact CG-CE1 3.72Å; R115-Y125 VanDerWaalsContact NE-CD1 3.31Å; F119-Y125 HydrophobicContact CB-CD1 4.17Å; F119-Y125 HydrophobicContact CB-CE1 3.9Å; F119-Y125 HydrophobicContact CD2-CD1 4.22Å; F119-Y125 HydrophobicContact CD2-CD2 4.17Å; F119-Y125 AromaticContact CD2-CE1 3.91Å; F119-Y125 HydrophobicContact CD2-CE1 3.91Å; F119-Y125 AromaticContact CD2-CE2 3.87Å; F119-Y125 HydrophobicContact CD2-CE2 3.87Å; F119-Y125 HydrophobicContact CD2-CG 4.34Å; F119-Y125 AromaticContact CD2-CZ 3.73Å; F119-Y125 HydrophobicContact CE2-CE2 4.07Å; F119-Y125 HydrophobicContact CG-CE1 4.03Å |
| 126 | E | 67.2 | Low | 72.1 | Confident | 86 Ų | 86 | 115.3 Ų | 115.3 | 40% | 0.402 | 62% | 0.617 | S | S | . | * | P | Polyproline II helix | trans | -85.8 | 132.3 | 172.8 | -66.8 | -177.7 | 173.3 | 0 | 0 | 109.5 | N118 | N118-E126 PolarHBondContact ND2-OE2 3.36Š|
| 127 | D | 62.2 | Low | 70.2 | Confident | 120 Ų | 120 | 122.2 Ų | 122.2 | 64% | 0.642 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 127.6 | 172.7 | -80.5 | -36.7 | 0 | 0 | 0 | 109.6 | G129 M130 | D127-G129 PolarHBondContact O-N 3.22Å; D127-M130 PolarHBondContact O-N 2.68Å |
| 128 | P | 59.8 | Low | 68.2 | Low | 113 Ų | 113 | 126.6 Ų | 126.6 | 73% | 0.734 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | -10.3 | -178.1 | 25.2 | -33.8 | 0 | 0 | 0 | 113.6 | ||
| 129 | G | 57.6 | Low | 66.4 | Low | 74 Ų | 74 | 133.3 Ų | 133.3 | 76% | 0.763 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | -11.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | D127 | D127-G129 PolarHBondContact O-N 3.22Š|
| 130 | M | 55.9 | Low | 64.5 | Low | 160 Ų | 160 | 135 Ų | 135 | 79% | 0.788 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.2 | -7.5 | -169.7 | -76.7 | -76.6 | -74 | 0 | 0 | 114.8 | D127 | D127-M130 PolarHBondContact O-N 2.68Š|
| 131 | S | 56.8 | Low | 62.6 | Low | 65 Ų | 65 | 136.4 Ų | 136.4 | 46% | 0.455 | 70% | 0.699 | S | S | . | * | trans | -109.5 | 59 | -174.1 | 68.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 132 | I | 52.7 | Low | 60.8 | Low | 155 Ų | 155 | 140.8 Ų | 140.8 | 80% | 0.795 | 71% | 0.705 | S | S | * | * | trans | -123.9 | 48.2 | 154.6 | -39.8 | 176.8 | 0 | 0 | 0 | 109.1 | K134 | I132-K134 VanDerWaalsContact C-N 3.3Å; I132-K134 PolarHBondContact O-N 2.85Å | ||
| 133 | K | 57.5 | Low | 59.2 | Low | 194 Ų | 194 | 141.1 Ų | 141.1 | 84% | 0.843 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -75.2 | 104.1 | 139.9 | -69.3 | -174.4 | -178 | 179.6 | 0 | 103.5 | A135 | K133-A135 VanDerWaalsContact C-N 3.32Å; K133-A135 PolarHBondContact O-N 2.89Å |
| 134 | K | 53.8 | Low | 57.8 | Low | 191 Ų | 191 | 147.5 Ų | 147.5 | 83% | 0.83 | 73% | 0.733 | S | S | * | * | trans | -37.9 | 108.1 | 165 | -90.7 | 174.2 | 173.1 | 173.3 | 0 | 105.3 | I132 E136 | I132-K134 VanDerWaalsContact C-N 3.3Å; I132-K134 PolarHBondContact O-N 2.85Å; K134-E136 PolarHBondContact O-N 3.37Å | ||
| 135 | A | 51.9 | Low | 56.6 | Low | 86 Ų | 86 | 148.1 Ų | 148.1 | 71% | 0.711 | 74% | 0.741 | S | S | * | * | trans | -53.2 | 107.1 | 152.4 | 0 | 0 | 0 | 0 | 0 | 101.8 | K133 R137 | K133-A135 VanDerWaalsContact C-N 3.32Å; K133-A135 PolarHBondContact O-N 2.89Å; A135-R137 PolarHBondContact O-N 3.31Å | ||
| 136 | E | 53.1 | Low | 55.7 | Low | 169 Ų | 169 | 145.5 Ų | 145.5 | 79% | 0.79 | 74% | 0.74 | S | S | * | * | trans | -34.1 | 108.5 | 156.2 | -169.9 | 88.7 | -151 | 0 | 0 | 102.6 | K134 R138 | K134-E136 PolarHBondContact O-N 3.37Å; E136-R138 PolarHBondContact O-N 3.48Å | ||
| 137 | R | 50.8 | Low | 56.4 | Low | 232 Ų | 232 | 146.2 Ų | 146.2 | 88% | 0.875 | 75% | 0.746 | S | S | * | * | trans | -58.5 | 97.8 | 170.1 | -73.2 | -175 | -176.3 | -156.4 | 1.1 | 100.4 | A135 K139 | A135-R137 PolarHBondContact O-N 3.31Å; R137-K139 PolarHBondContact O-N 2.88Å | ||
| 138 | R | 52 | Low | 57.6 | Low | 228 Ų | 228 | 144 Ų | 144 | 86% | 0.86 | 74% | 0.737 | S | S | * | * | trans | -47.3 | 109.5 | 157.1 | -70.6 | -175.7 | -176.1 | 155.7 | 0.9 | 99.7 | E136 | E136-R138 PolarHBondContact O-N 3.48Š| ||
| 139 | K | 51 | Low | 59 | Low | 183 Ų | 183 | 142.9 Ų | 142.9 | 80% | 0.796 | 72% | 0.719 | S | S | * | * | trans | -40.6 | 126 | 165.3 | -73.6 | 178.1 | 176.8 | -179.8 | 0 | 102.3 | R137 E141 | R137-K139 PolarHBondContact O-N 2.88Å; K139-E141 PolarHBondContact O-N 3.4Å | ||
| 140 | P | 52.3 | Low | 60.6 | Low | 114 Ų | 114 | 144.4 Ų | 144.4 | 74% | 0.74 | 71% | 0.706 | S | S | * | * | trans | -45.8 | 113.5 | 169.9 | 20.2 | -28.9 | 0 | 0 | 0 | 102.6 | E142 | P140-E142 PolarHBondContact O-N 3.08Š| ||
| 141 | E | 50.8 | Low | 62.4 | Low | 177 Ų | 177 | 141.1 Ų | 141.1 | 83% | 0.827 | 69% | 0.689 | S | S | * | * | trans | -47.5 | 115.2 | 167.6 | -175.8 | 167.6 | -169.3 | 0 | 0 | 100.1 | K139 A143 | K139-E141 PolarHBondContact O-N 3.4Å; E141-A143 PolarHBondContact O-N 2.68Å | ||
| 142 | E | 52.8 | Low | 64.2 | Low | 177 Ų | 177 | 138 Ų | 138 | 83% | 0.827 | 67% | 0.668 | S | S | * | * | trans | -60.2 | 86.2 | 171.2 | -76.8 | 175.9 | 174.2 | 0 | 0 | 101.2 | P140 Q144 | P140-E142 PolarHBondContact O-N 3.08Å; E142-Q144 PolarHBondContact O-N 3.38Å | ||
| 143 | A | 51.9 | Low | 66.2 | Low | 84 Ų | 84 | 134.2 Ų | 134.2 | 69% | 0.694 | 65% | 0.648 | S | S | * | * | trans | -54 | 104 | 170.8 | 0 | 0 | 0 | 0 | 0 | 99.4 | E141 K145 | E141-A143 PolarHBondContact O-N 2.68Å; A143-K145 PolarHBondContact O-N 2.84Å | ||
| 144 | Q | 59.5 | Low | 68 | Low | 178 Ų | 178 | 128.4 Ų | 128.4 | 83% | 0.832 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -47.5 | 119.6 | -174.4 | -66.1 | 175.2 | 7.4 | 0 | 0 | 102.9 | E142 P146 | E142-Q144 PolarHBondContact O-N 3.38Å; Q144-P146 WeakPolarHBondContact O-CD 3.35Å |
| 145 | K | 58.1 | Low | 70 | Confident | 196 Ų | 196 | 121.8 Ų | 121.8 | 85% | 0.852 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -47.4 | 120.5 | -179.5 | -70.7 | -179.7 | -179.6 | 178.5 | 0 | 104.6 | A143 D147 | A143-K145 PolarHBondContact O-N 2.84Å; K145-D147 PolarHBondContact O-N 3.47Å |
| 146 | P | 61.3 | Low | 72.1 | Confident | 74 Ų | 74 | 118.3 Ų | 118.3 | 48% | 0.481 | 57% | 0.568 | S | S | . | * | P | Polyproline II helix | trans | -50.6 | 138.6 | -171.9 | 17.3 | -29.8 | 0 | 0 | 0 | 107.4 | Q144 T148 | Q144-P146 WeakPolarHBondContact O-CD 3.35Å; P146-T148 PolarHBondContact O-N 2.99Å; P146-T148 VanDerWaalsContact O-N 3.14Å |
| 147 | D | 83.7 | Confident | 74.3 | Confident | 100 Ų | 100 | 115.3 Ų | 115.3 | 54% | 0.535 | 55% | 0.554 | S | S | . | * | P | Polyproline II helix | trans | -52.5 | 130.2 | 179.3 | -174.7 | -0.1 | 0 | 0 | 0 | 107.1 | K145 Y149 E150 E151 | K145-D147 PolarHBondContact O-N 3.47Å; D147-Y149 CarbonylContact O-C 3.56Å; D147-Y149 PolarHBondContact O-N 3.23Å; D147-Y149 PolarHBondContact OD1-N 3.39Å; D147-E150 HydrophobicContact CB-CB 4.23Å; D147-E150 WeakPolarHBondContact O-CA 3.43Å; D147-E150 WeakPolarHBondContact O-CB 3.38Å; D147-E150 PolarHBondContact O-N 2.98Å; D147-E151 PolarHBondContact O-N 3.15Å |
| 148 | T | 86.1 | Confident | 76.5 | Confident | 74 Ų | 74 | 110.3 Ų | 110.3 | 45% | 0.454 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -54.9 | -23.6 | -177.4 | 53.2 | 0 | 0 | 0 | 0 | 112.2 | P146 V152 | P146-T148 PolarHBondContact O-N 2.99Å; P146-T148 VanDerWaalsContact O-N 3.14Å; T148-V152 VanDerWaalsContact O-CG2 3.23Å; T148-V152 WeakPolarHBondContact O-CG2 3.38Å; T148-V152 PolarHBondContact O-N 2.95Å |
| 149 | Y | 90.4 | Very high | 78.7 | Confident | 90 Ų | 90 | 102.2 Ų | 102.2 | 35% | 0.353 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -69.5 | -48.1 | 170.7 | -171.5 | -95.4 | 0 | 0 | 0 | 112.7 | D147 V152 L153 L189 | D147-Y149 CarbonylContact O-C 3.56Å; D147-Y149 PolarHBondContact O-N 3.23Å; D147-Y149 PolarHBondContact OD1-N 3.39Å; Y149-V152 PolarHBondContact O-N 3.42Å; Y149-L153 HydrophobicContact CD1-CD1 3.84Å; Y149-L153 HydrophobicContact CD1-CG 4.45Å; Y149-L153 HydrophobicContact CE1-CD1 3.49Å; Y149-L153 VanDerWaalsContact CE1-CD1 3.49Å; Y149-L153 HydrophobicContact CE1-CG 4.19Å; Y149-L153 PolarHBondContact O-N 3.23Å; Y149-L153 VanDerWaalsContact O-N 3.1Å; Y149-L189 HydrophobicContact CD2-CD2 3.54Å; Y149-L189 HydrophobicContact CE2-CB 4.25Å; Y149-L189 HydrophobicContact CE2-CD2 3.59Å; Y149-L189 HydrophobicContact CE2-CG 4.47Å; Y149-L189 HydrophobicContact CG-CD2 4.07Å |
| 150 | E | 91.5 | Very high | 80.9 | Confident | 106 Ų | 106 | 97.9 Ų | 97.9 | 50% | 0.495 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.6 | -39.8 | 178.6 | -171.4 | 175.2 | -164.9 | 0 | 0 | 111.7 | D147 V152 L153 N154 | D147-E150 HydrophobicContact CB-CB 4.23Å; D147-E150 WeakPolarHBondContact O-CA 3.43Å; D147-E150 WeakPolarHBondContact O-CB 3.38Å; D147-E150 PolarHBondContact O-N 2.98Å; E150-V152 VanDerWaalsContact C-N 3.34Å; E150-V152 PolarHBondContact O-N 3.41Å; E150-L153 PolarHBondContact O-N 2.96Å; E150-N154 VanDerWaalsContact O-CG 3.25Å; E150-N154 PolarHBondContact O-N 3.44Å; E150-N154 PolarHBondContact O-ND2 3.15Å |
| 151 | E | 91.9 | Very high | 83 | Confident | 90 Ų | 90 | 97 Ų | 97 | 42% | 0.421 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -57.2 | -46.7 | 174.1 | -176.3 | 179.1 | -160.1 | 0 | 0 | 111.6 | D147 L153 N154 E155 | D147-E151 PolarHBondContact O-N 3.15Å; E151-L153 VanDerWaalsContact C-N 3.34Å; E151-L153 PolarHBondContact O-N 3.46Å; E151-N154 PolarHBondContact O-N 3.1Å; E151-E155 WeakPolarHBondContact O-CB 3.36Å; E151-E155 WeakPolarHBondContact O-CG 3.15Å; E151-E155 PolarHBondContact O-N 3.16Å |
| 152 | V | 94.8 | Very high | 85.2 | Confident | 1 Ų | 1 | 92.6 Ų | 92.6 | 1% | 0.006 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -69.9 | -31.8 | -178.7 | 177.8 | 0 | 0 | 0 | 0 | 111.8 | T148 Y149 E150 I156 Q185 K188 L189 | T148-V152 VanDerWaalsContact O-CG2 3.23Å; T148-V152 WeakPolarHBondContact O-CG2 3.38Å; T148-V152 PolarHBondContact O-N 2.95Å; Y149-V152 PolarHBondContact O-N 3.42Å; E150-V152 VanDerWaalsContact C-N 3.34Å; E150-V152 PolarHBondContact O-N 3.41Å; V152-I156 HydrophobicContact CG1-CD1 4.27Å; V152-I156 WeakPolarHBondContact O-CG1 3.4Å; V152-I156 PolarHBondContact O-N 2.86Å; V152-I156 VanDerWaalsContact O-N 3.15Å; V152-Q185 HydrophobicContact CG1-CB 3.99Å; V152-K188 HydrophobicContact CG2-CD 3.87Å; V152-L189 HydrophobicContact CB-CD2 3.71Å; V152-L189 HydrophobicContact CB-CG 4.19Å; V152-L189 HydrophobicContact CG1-CD1 4.18Å; V152-L189 HydrophobicContact CG1-CD2 3.69Å; V152-L189 HydrophobicContact CG1-CG 3.58Å |
| 153 | L | 95.4 | Very high | 87.3 | Confident | 74 Ų | 74 | 85.6 Ų | 85.6 | 39% | 0.387 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -64.6 | -47.2 | 172.7 | -76.4 | 174.4 | 0 | 0 | 0 | 111.8 | Y149 E150 E151 E155 I156 E157 L189 | Y149-L153 HydrophobicContact CD1-CD1 3.84Å; Y149-L153 HydrophobicContact CD1-CG 4.45Å; Y149-L153 HydrophobicContact CE1-CD1 3.49Å; Y149-L153 VanDerWaalsContact CE1-CD1 3.49Å; Y149-L153 HydrophobicContact CE1-CG 4.19Å; Y149-L153 PolarHBondContact O-N 3.23Å; Y149-L153 VanDerWaalsContact O-N 3.1Å; E150-L153 PolarHBondContact O-N 2.96Å; E151-L153 VanDerWaalsContact C-N 3.34Å; E151-L153 PolarHBondContact O-N 3.46Å; L153-E155 VanDerWaalsContact C-N 3.29Å; L153-E155 PolarHBondContact O-N 2.94Å; L153-I156 PolarHBondContact O-N 3.38Å; L153-I156 VanDerWaalsContact O-N 3.16Å; L153-E157 PolarHBondContact O-N 2.99Å; L153-L189 HydrophobicContact CD2-CD1 3.6Å; L153-L189 HydrophobicContact CG-CD1 4.18Å; L153-L189 HydrophobicContact CG-CD2 4.27Å |
| 154 | N | 95.4 | Very high | 89.4 | Confident | 73 Ų | 73 | 88.2 Ų | 88.2 | 39% | 0.39 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -60.7 | -42.6 | 177.5 | -65.4 | -20.7 | 0 | 0 | 0 | 111 | E150 E151 I156 E157 E158 | E150-N154 VanDerWaalsContact O-CG 3.25Å; E150-N154 PolarHBondContact O-N 3.44Å; E150-N154 PolarHBondContact O-ND2 3.15Å; E151-N154 PolarHBondContact O-N 3.1Å; N154-I156 VanDerWaalsContact C-N 3.28Å; N154-I156 PolarHBondContact O-N 3.4Å; N154-E157 PolarHBondContact O-N 2.74Å; N154-E158 WeakPolarHBondContact O-CG 3.39Å; N154-E158 PolarHBondContact O-N 3.07Å |
| 155 | E | 95.6 | Very high | 91.2 | Very high | 51 Ų | 51 | 84.8 Ų | 84.8 | 24% | 0.238 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -60.1 | -34 | 176.2 | -85.3 | -158.3 | -116.8 | 0 | 0 | 114.2 | E151 L153 R159 Q185 | E151-E155 WeakPolarHBondContact O-CB 3.36Å; E151-E155 WeakPolarHBondContact O-CG 3.15Å; E151-E155 PolarHBondContact O-N 3.16Å; L153-E155 VanDerWaalsContact C-N 3.29Å; L153-E155 PolarHBondContact O-N 2.94Å; E155-R159 WeakPolarHBondContact O-CG 3.47Å; E155-R159 PolarHBondContact O-N 3.35Å; E155-R159 PolarHBondContact O-NH1 2.89Å; E155-R159 IonicContact OE2-CZ 2.64Å; E155-R159 IonicContact OE2-NH1 2.64Å; E155-R159 PolarHBondContact OE2-NH1 2.94Å; E155-R159 IonicContact OE2-NH2 3.54Å; E155-R159 PolarHBondContact OE2-NH2 3.21Å; E155-Q185 PolarHBondContact OE2-NE2 3.12Å |
| 156 | I | 96.9 | Very high | 92.9 | Very high | 14 Ų | 14 | 76.8 Ų | 76.8 | 7% | 0.072 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -72.1 | -47.3 | 175.6 | -72 | 163.4 | 0 | 0 | 0 | 109.7 | V152 L153 N154 E158 R159 E160 I182 Q185 Q186 L189 | V152-I156 HydrophobicContact CG1-CD1 4.27Å; V152-I156 WeakPolarHBondContact O-CG1 3.4Å; V152-I156 PolarHBondContact O-N 2.86Å; V152-I156 VanDerWaalsContact O-N 3.15Å; L153-I156 PolarHBondContact O-N 3.38Å; L153-I156 VanDerWaalsContact O-N 3.16Å; N154-I156 VanDerWaalsContact C-N 3.28Å; N154-I156 PolarHBondContact O-N 3.4Å; I156-E158 VanDerWaalsContact C-N 3.35Å; I156-E158 PolarHBondContact O-N 3.31Å; I156-R159 PolarHBondContact O-N 3.03Å; I156-R159 VanDerWaalsContact O-N 3.11Å; I156-E160 HydrophobicContact CG2-CG 4.42Å; I156-E160 WeakPolarHBondContact O-CG 3.5Å; I156-E160 PolarHBondContact O-N 3.2Å; I156-I182 HydrophobicContact CG2-CG2 4.13Å; I156-Q185 HydrophobicContact CD1-CB 3.89Å; I156-Q185 HydrophobicContact CG1-CB 3.65Å; I156-Q186 HydrophobicContact CD1-CG 3.78Å; I156-L189 HydrophobicContact CD1-CD1 3.54Å; I156-L189 HydrophobicContact CD1-CG 4.43Å |
| 157 | E | 97.6 | Very high | 94.5 | Very high | 105 Ų | 105 | 76.7 Ų | 76.7 | 49% | 0.491 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -59.3 | -45.1 | 179.5 | -173.2 | 179.9 | 179.1 | 0 | 0 | 111.5 | L153 N154 R159 E160 Q161 | L153-E157 PolarHBondContact O-N 2.99Å; N154-E157 PolarHBondContact O-N 2.74Å; E157-R159 VanDerWaalsContact C-N 3.27Å; E157-R159 PolarHBondContact O-N 2.94Å; E157-E160 PolarHBondContact O-N 2.8Å; E157-Q161 WeakPolarHBondContact O-CG 3.5Å; E157-Q161 PolarHBondContact O-N 3.4Å; E157-Q161 PolarHBondContact OE1-NE2 3.19Å |
| 158 | E | 97.8 | Very high | 95 | Very high | 128 Ų | 128 | 76.1 Ų | 76.1 | 60% | 0.598 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -58.6 | -38.9 | 175.7 | -74.7 | -179.8 | -176.8 | 0 | 0 | 112.2 | N154 I156 F162 | N154-E158 WeakPolarHBondContact O-CG 3.39Å; N154-E158 PolarHBondContact O-N 3.07Å; I156-E158 VanDerWaalsContact C-N 3.35Å; I156-E158 PolarHBondContact O-N 3.31Å; E158-F162 WeakPolarHBondContact O-CB 3.44Å; E158-F162 PolarHBondContact O-N 3.11Å |
| 159 | R | 97.7 | Very high | 95.4 | Very high | 57 Ų | 57 | 78 Ų | 78 | 22% | 0.215 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -74 | -32 | 178.3 | -76.1 | -178.8 | 179.7 | 80.2 | -6.9 | 112.7 | E155 I156 E157 L163 V178 I182 Q185 | E155-R159 WeakPolarHBondContact O-CG 3.47Å; E155-R159 PolarHBondContact O-N 3.35Å; E155-R159 PolarHBondContact O-NH1 2.89Å; E155-R159 IonicContact OE2-CZ 2.64Å; E155-R159 IonicContact OE2-NH1 2.64Å; E155-R159 PolarHBondContact OE2-NH1 2.94Å; E155-R159 IonicContact OE2-NH2 3.54Å; E155-R159 PolarHBondContact OE2-NH2 3.21Å; I156-R159 PolarHBondContact O-N 3.03Å; I156-R159 VanDerWaalsContact O-N 3.11Å; E157-R159 VanDerWaalsContact C-N 3.27Å; E157-R159 PolarHBondContact O-N 2.94Å; R159-L163 WeakPolarHBondContact O-CG 3.44Å; R159-L163 PolarHBondContact O-N 2.94Å; R159-V178 HydrophobicContact CB-CG1 3.84Å; R159-V178 HydrophobicContact CG-CG1 4.18Å; R159-I182 HydrophobicContact CB-CD1 3.93Å; R159-I182 HydrophobicContact CB-CG1 3.68Å; R159-Q185 VanDerWaalsContact NH2-NE2 3.19Å |
| 160 | E | 97.1 | Very high | 95.6 | Very high | 93 Ų | 93 | 76.9 Ų | 76.9 | 44% | 0.435 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -66.7 | -47.1 | 172.1 | -72.8 | -175.3 | 164.7 | 0 | 0 | 110.7 | I156 E157 F162 L163 E164 I182 | I156-E160 HydrophobicContact CG2-CG 4.42Å; I156-E160 WeakPolarHBondContact O-CG 3.5Å; I156-E160 PolarHBondContact O-N 3.2Å; E157-E160 PolarHBondContact O-N 2.8Å; E160-F162 VanDerWaalsContact C-N 3.3Å; E160-F162 PolarHBondContact O-N 3.43Å; E160-L163 WeakPolarHBondContact O-CB 3.49Å; E160-L163 PolarHBondContact O-N 3.39Å; E160-E164 PolarHBondContact O-N 3.04Å; E160-I182 HydrophobicContact CG-CD1 4.01Å |
| 161 | Q | 97.5 | Very high | 95.4 | Very high | 94 Ų | 94 | 76 Ų | 76 | 44% | 0.439 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -59 | -42.6 | 173.7 | -69.7 | 175 | 9 | 0 | 0 | 111.5 | E157 L163 E164 D165 | E157-Q161 WeakPolarHBondContact O-CG 3.5Å; E157-Q161 PolarHBondContact O-N 3.4Å; E157-Q161 PolarHBondContact OE1-NE2 3.19Å; Q161-L163 VanDerWaalsContact C-N 3.28Å; Q161-L163 PolarHBondContact O-N 3Å; Q161-E164 WeakPolarHBondContact O-CB 3.42Å; Q161-E164 PolarHBondContact O-N 3.43Å; Q161-E164 VanDerWaalsContact O-N 3.11Å; Q161-D165 PolarHBondContact O-N 3.29Å |
| 162 | F | 96.9 | Very high | 95.2 | Very high | 86 Ų | 86 | 78 Ų | 78 | 38% | 0.377 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -57.9 | -40.6 | 173.9 | 176.3 | -92.7 | 0 | 0 | 0 | 112.1 | E158 E160 E164 D165 M166 V178 | E158-F162 WeakPolarHBondContact O-CB 3.44Å; E158-F162 PolarHBondContact O-N 3.11Å; E160-F162 VanDerWaalsContact C-N 3.3Å; E160-F162 PolarHBondContact O-N 3.43Å; F162-E164 VanDerWaalsContact C-N 3.35Å; F162-D165 PolarHBondContact O-N 3.2Å; F162-M166 HydrophobicContact CD1-CG 3.87Å; F162-M166 HydrophobicContact CD2-CG 4.32Å; F162-M166 HydrophobicContact CE1-CG 3.4Å; F162-M166 HydrophobicContact CE1-SD 4.19Å; F162-M166 HydrophobicContact CE2-CG 3.9Å; F162-M166 HydrophobicContact CE2-SD 3.95Å; F162-M166 HydrophobicContact CG-CG 4.32Å; F162-M166 HydrophobicContact CZ-CG 3.43Å; F162-M166 VanDerWaalsContact CZ-CG 3.43Å; F162-M166 HydrophobicContact CZ-SD 3.6Å; F162-M166 VanDerWaalsContact O-CB 3.3Å; F162-M166 WeakPolarHBondContact O-CB 3.41Å; F162-M166 WeakPolarHBondContact O-CG 3.42Å; F162-M166 PolarHBondContact O-N 3.35Å; F162-V178 HydrophobicContact CD1-CG1 4.17Å; F162-V178 HydrophobicContact CD1-CG2 3.87Å; F162-V178 HydrophobicContact CE1-CG2 3.68Å |
| 163 | L | 96.9 | Very high | 95.1 | Very high | 30 Ų | 30 | 84.3 Ų | 84.3 | 16% | 0.157 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -64.9 | -38.6 | 176.1 | -76.4 | 174.4 | 0 | 0 | 0 | 112.4 | R159 E160 Q161 A167 V178 K179 I182 | R159-L163 WeakPolarHBondContact O-CG 3.44Å; R159-L163 PolarHBondContact O-N 2.94Å; E160-L163 WeakPolarHBondContact O-CB 3.49Å; E160-L163 PolarHBondContact O-N 3.39Å; Q161-L163 VanDerWaalsContact C-N 3.28Å; Q161-L163 PolarHBondContact O-N 3Å; L163-A167 WeakPolarHBondContact O-CB 3.31Å; L163-A167 PolarHBondContact O-N 3.38Å; L163-V178 HydrophobicContact CD1-CG1 4.18Å; L163-V178 HydrophobicContact CD2-CB 3.97Å; L163-V178 HydrophobicContact CD2-CG1 4.1Å; L163-V178 HydrophobicContact CG-CB 4.27Å; L163-V178 HydrophobicContact CG-CG1 3.84Å; L163-K179 HydrophobicContact CD1-CG 3.81Å; L163-I182 HydrophobicContact CD1-CD1 3.62Å |
| 164 | E | 96.4 | Very high | 94.9 | Very high | 139 Ų | 139 | 85.2 Ų | 85.2 | 65% | 0.65 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -63.9 | -46.6 | 175.4 | -67.3 | -177 | 174.8 | 0 | 0 | 111.4 | E160 Q161 F162 M166 A167 A168 | E160-E164 PolarHBondContact O-N 3.04Å; Q161-E164 WeakPolarHBondContact O-CB 3.42Å; Q161-E164 PolarHBondContact O-N 3.43Å; Q161-E164 VanDerWaalsContact O-N 3.11Å; F162-E164 VanDerWaalsContact C-N 3.35Å; E164-M166 PolarHBondContact O-N 3.02Å; E164-A167 PolarHBondContact O-N 3.34Å; E164-A168 PolarHBondContact O-N 3.06Å |
| 165 | D | 96.4 | Very high | 94.8 | Very high | 105 Ų | 105 | 83 Ų | 83 | 56% | 0.561 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -60.6 | -47.5 | 176.4 | -76.2 | -15.2 | 0 | 0 | 0 | 111.2 | Q161 F162 A167 A168 L169 | Q161-D165 PolarHBondContact O-N 3.29Å; F162-D165 PolarHBondContact O-N 3.2Å; D165-A167 VanDerWaalsContact C-N 3.29Å; D165-A167 PolarHBondContact O-N 2.93Å; D165-A168 WeakPolarHBondContact O-CB 3.47Å; D165-A168 PolarHBondContact O-N 3.28Å; D165-A168 VanDerWaalsContact O-N 3.13Å; D165-L169 WeakPolarHBondContact O-CD1 3.44Å; D165-L169 PolarHBondContact O-N 3.35Å |
| 166 | M | 93.9 | Very high | 94.9 | Very high | 28 Ų | 28 | 88.9 Ų | 88.9 | 14% | 0.138 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -60.6 | -38.7 | 177.5 | -74.5 | -56.7 | -46.3 | 0 | 0 | 112.2 | F162 E164 L169 G170 Q171 | F162-M166 HydrophobicContact CD1-CG 3.87Å; F162-M166 HydrophobicContact CD2-CG 4.32Å; F162-M166 HydrophobicContact CE1-CG 3.4Å; F162-M166 HydrophobicContact CE1-SD 4.19Å; F162-M166 HydrophobicContact CE2-CG 3.9Å; F162-M166 HydrophobicContact CE2-SD 3.95Å; F162-M166 HydrophobicContact CG-CG 4.32Å; F162-M166 HydrophobicContact CZ-CG 3.43Å; F162-M166 VanDerWaalsContact CZ-CG 3.43Å; F162-M166 HydrophobicContact CZ-SD 3.6Å; F162-M166 VanDerWaalsContact O-CB 3.3Å; F162-M166 WeakPolarHBondContact O-CB 3.41Å; F162-M166 WeakPolarHBondContact O-CG 3.42Å; F162-M166 PolarHBondContact O-N 3.35Å; E164-M166 PolarHBondContact O-N 3.02Å; M166-L169 PolarHBondContact O-N 3.09Å; M166-G170 PolarHBondContact O-N 3.23Å; M166-Q171 HydrophobicContact CE-CB 3.19Å; M166-Q171 HydrophobicContact CE-CG 4.33Å; M166-Q171 WeakPolarHBondContact CE-O 3.4Å; M166-Q171 PolarHBondContact O-N 3.3Å |
| 167 | A | 94 | Very high | 94.9 | Very high | 73 Ų | 73 | 91.7 Ų | 91.7 | 60% | 0.603 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -67.1 | -40 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L163 E164 D165 L169 G170 | L163-A167 WeakPolarHBondContact O-CB 3.31Å; L163-A167 PolarHBondContact O-N 3.38Å; E164-A167 PolarHBondContact O-N 3.34Å; D165-A167 VanDerWaalsContact C-N 3.29Å; D165-A167 PolarHBondContact O-N 2.93Å; A167-L169 VanDerWaalsContact C-N 3.29Å; A167-L169 PolarHBondContact O-N 3.46Å; A167-G170 PolarHBondContact O-N 3.44Å |
| 168 | A | 95.3 | Very high | 94.8 | Very high | 87 Ų | 87 | 87.3 Ų | 87.3 | 72% | 0.719 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -63.5 | -34 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | E164 D165 G170 | E164-A168 PolarHBondContact O-N 3.06Å; D165-A168 WeakPolarHBondContact O-CB 3.47Å; D165-A168 PolarHBondContact O-N 3.28Å; D165-A168 VanDerWaalsContact O-N 3.13Å; A168-G170 VanDerWaalsContact C-N 3.26Å; A168-G170 PolarHBondContact O-N 3Å |
| 169 | L | 95.1 | Very high | 94.8 | Very high | 115 Ų | 115 | 86.8 Ų | 86.8 | 60% | 0.602 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -5.5 | 172.3 | -82.1 | 87.1 | 0 | 0 | 0 | 113.9 | D165 M166 A167 Q171 | D165-L169 WeakPolarHBondContact O-CD1 3.44Å; D165-L169 PolarHBondContact O-N 3.35Å; M166-L169 PolarHBondContact O-N 3.09Å; A167-L169 VanDerWaalsContact C-N 3.29Å; A167-L169 PolarHBondContact O-N 3.46Å; L169-Q171 HydrophobicContact CB-CG 4.47Å; L169-Q171 PolarHBondContact O-N 2.9Å |
| 170 | G | 93.4 | Very high | 94.8 | Very high | 65 Ų | 65 | 86.9 Ų | 86.9 | 67% | 0.67 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.3 | 22.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | M166 A167 A168 | M166-G170 PolarHBondContact O-N 3.23Å; A167-G170 PolarHBondContact O-N 3.44Å; A168-G170 VanDerWaalsContact C-N 3.26Å; A168-G170 PolarHBondContact O-N 3Å |
| 171 | Q | 87.6 | Confident | 94.8 | Very high | 89 Ų | 89 | 85.9 Ų | 85.9 | 42% | 0.416 | 47% | 0.468 | S | S | . | . | trans | -109.9 | 97.2 | -178.1 | -73.1 | -178 | 23.6 | 0 | 0 | 110.1 | M166 L169 | M166-Q171 HydrophobicContact CE-CB 3.19Å; M166-Q171 HydrophobicContact CE-CG 4.33Å; M166-Q171 WeakPolarHBondContact CE-O 3.4Å; M166-Q171 PolarHBondContact O-N 3.3Å; L169-Q171 HydrophobicContact CB-CG 4.47Å; L169-Q171 PolarHBondContact O-N 2.9Å | ||
| 172 | D | 88.1 | Confident | 94.8 | Very high | 132 Ų | 132 | 82 Ų | 82 | 71% | 0.706 | 45% | 0.45 | S | S | * | . | trans | -98.9 | -1.7 | -175.9 | 67 | -16.4 | 0 | 0 | 0 | 114.4 | H174 S175 | D172-H174 PolarHBondContact O-N 3.03Å; D172-S175 WeakPolarHBondContact O-CB 3.22Å; D172-S175 PolarHBondContact O-N 3.36Å | ||
| 173 | Q | 91.3 | Very high | 94.8 | Very high | 132 Ų | 132 | 81.2 Ų | 81.2 | 62% | 0.617 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | -24.7 | -173.9 | 58.5 | 178.6 | -1.1 | 0 | 0 | 115.7 | ||
| 174 | H | 92.5 | Very high | 94.8 | Very high | 93 Ų | 93 | 86.3 Ų | 86.3 | 43% | 0.431 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | 0.9 | -178.8 | -57.8 | -41.4 | 0 | 0 | 0 | 113.6 | D172 F176 V177 V178 | D172-H174 PolarHBondContact O-N 3.03Å; H174-F176 VanDerWaalsContact C-N 3.28Å; H174-F176 PolarHBondContact O-N 2.89Å; H174-V177 PolarHBondContact O-N 3.36Å; H174-V177 VanDerWaalsContact O-N 3.1Å; H174-V178 PolarHBondContact O-N 3.03Å; H174-V178 VanDerWaalsContact O-N 3.15Å |
| 175 | S | 93.9 | Very high | 94.8 | Very high | 28 Ų | 28 | 80.6 Ų | 80.6 | 20% | 0.196 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -57.7 | -40.7 | -174 | -176.6 | 0 | 0 | 0 | 0 | 112.3 | D172 V177 V178 K179 | D172-S175 WeakPolarHBondContact O-CB 3.22Å; D172-S175 PolarHBondContact O-N 3.36Å; S175-V177 PolarHBondContact O-N 2.86Å; S175-V178 PolarHBondContact O-N 3.06Å; S175-K179 WeakPolarHBondContact O-CB 3.48Å; S175-K179 VanDerWaalsContact O-CG 3.22Å; S175-K179 WeakPolarHBondContact O-CG 3.39Å; S175-K179 PolarHBondContact O-N 3.11Å; S175-K179 VanDerWaalsContact OG-CE 3.3Å; S175-K179 WeakPolarHBondContact OG-CE 3.37Å; S175-K179 PolarHBondContact OG-NZ 3.14Å; S175-K179 VanDerWaalsContact OG-NZ 3.15Å |
| 176 | F | 96.1 | Very high | 94.8 | Very high | 173 Ų | 173 | 80.1 Ų | 80.1 | 76% | 0.759 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -62.1 | -42.6 | 178.8 | 178.3 | -100.6 | 0 | 0 | 0 | 112.9 | H174 S180 | H174-F176 VanDerWaalsContact C-N 3.28Å; H174-F176 PolarHBondContact O-N 2.89Å; F176-S180 PolarHBondContact O-N 3.34Å |
| 177 | V | 97.1 | Very high | 94.9 | Very high | 74 Ų | 74 | 85.3 Ų | 85.3 | 45% | 0.448 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -67.8 | -41.9 | -178.9 | 178.5 | 0 | 0 | 0 | 0 | 110.6 | H174 S175 S180 Q181 | H174-V177 PolarHBondContact O-N 3.36Å; H174-V177 VanDerWaalsContact O-N 3.1Å; S175-V177 PolarHBondContact O-N 2.86Å; V177-S180 PolarHBondContact O-N 3.44Å; V177-S180 PolarHBondContact O-OG 2.98Å; V177-Q181 WeakPolarHBondContact O-CG 3.49Å; V177-Q181 PolarHBondContact O-N 3.05Å; V177-Q181 VanDerWaalsContact O-N 3.12Å |
| 178 | V | 96.8 | Very high | 94.9 | Very high | 13 Ų | 13 | 86.2 Ų | 86.2 | 8% | 0.079 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -70 | -40.3 | 179.2 | 179.7 | 0 | 0 | 0 | 0 | 111 | R159 F162 L163 H174 S175 S180 Q181 I182 | R159-V178 HydrophobicContact CB-CG1 3.84Å; R159-V178 HydrophobicContact CG-CG1 4.18Å; F162-V178 HydrophobicContact CD1-CG1 4.17Å; F162-V178 HydrophobicContact CD1-CG2 3.87Å; F162-V178 HydrophobicContact CE1-CG2 3.68Å; L163-V178 HydrophobicContact CD1-CG1 4.18Å; L163-V178 HydrophobicContact CD2-CB 3.97Å; L163-V178 HydrophobicContact CD2-CG1 4.1Å; L163-V178 HydrophobicContact CG-CB 4.27Å; L163-V178 HydrophobicContact CG-CG1 3.84Å; H174-V178 PolarHBondContact O-N 3.03Å; H174-V178 VanDerWaalsContact O-N 3.15Å; S175-V178 PolarHBondContact O-N 3.06Å; V178-S180 VanDerWaalsContact C-N 3.31Å; V178-S180 PolarHBondContact O-N 2.92Å; V178-Q181 WeakPolarHBondContact O-CB 3.28Å; V178-Q181 PolarHBondContact O-N 3.3Å; V178-Q181 VanDerWaalsContact O-N 3.16Å; V178-I182 HydrophobicContact CG1-CD1 4.14Å; V178-I182 WeakPolarHBondContact O-CG1 3.25Å; V178-I182 PolarHBondContact O-N 2.86Å |
| 179 | K | 97 | Very high | 94.8 | Very high | 117 Ų | 117 | 83 Ų | 83 | 51% | 0.509 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -59.3 | -40.2 | 173.7 | -75.3 | 172.3 | 176.8 | 164.1 | 0 | 112.5 | L163 S175 I182 S183 | L163-K179 HydrophobicContact CD1-CG 3.81Å; S175-K179 WeakPolarHBondContact O-CB 3.48Å; S175-K179 VanDerWaalsContact O-CG 3.22Å; S175-K179 WeakPolarHBondContact O-CG 3.39Å; S175-K179 PolarHBondContact O-N 3.11Å; S175-K179 VanDerWaalsContact OG-CE 3.3Å; S175-K179 WeakPolarHBondContact OG-CE 3.37Å; S175-K179 PolarHBondContact OG-NZ 3.14Å; S175-K179 VanDerWaalsContact OG-NZ 3.15Å; K179-I182 PolarHBondContact O-N 3.48Å; K179-S183 PolarHBondContact O-N 3.2Å; K179-S183 PolarHBondContact O-OG 3.36Å |
| 180 | S | 97.7 | Very high | 94.7 | Very high | 58 Ų | 58 | 83.5 Ų | 83.5 | 41% | 0.406 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -68.5 | -34.9 | 177 | 69.6 | 0 | 0 | 0 | 0 | 112.5 | F176 V177 V178 S183 Q184 | F176-S180 PolarHBondContact O-N 3.34Å; V177-S180 PolarHBondContact O-N 3.44Å; V177-S180 PolarHBondContact O-OG 2.98Å; V178-S180 VanDerWaalsContact C-N 3.31Å; V178-S180 PolarHBondContact O-N 2.92Å; S180-S183 PolarHBondContact O-N 3.17Å; S180-Q184 PolarHBondContact O-N 3.46Å |
| 181 | Q | 97.3 | Very high | 94.7 | Very high | 72 Ų | 72 | 86 Ų | 86 | 34% | 0.336 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.1 | -44.7 | 172 | -70.7 | 175 | 4.1 | 0 | 0 | 111.8 | V177 V178 S183 Q184 Q185 | V177-Q181 WeakPolarHBondContact O-CG 3.49Å; V177-Q181 PolarHBondContact O-N 3.05Å; V177-Q181 VanDerWaalsContact O-N 3.12Å; V178-Q181 WeakPolarHBondContact O-CB 3.28Å; V178-Q181 PolarHBondContact O-N 3.3Å; V178-Q181 VanDerWaalsContact O-N 3.16Å; Q181-S183 VanDerWaalsContact C-N 3.33Å; Q181-S183 PolarHBondContact O-N 2.96Å; Q181-Q184 WeakPolarHBondContact O-CB 3.49Å; Q181-Q184 PolarHBondContact O-N 2.89Å; Q181-Q185 WeakPolarHBondContact O-CG 3.46Å; Q181-Q185 PolarHBondContact O-N 3.33Å |
| 182 | I | 97.4 | Very high | 94.8 | Very high | 13 Ų | 13 | 84.1 Ų | 84.1 | 7% | 0.067 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -56 | -49.4 | 174.8 | -69.8 | 164.8 | 0 | 0 | 0 | 110 | I156 R159 E160 L163 V178 K179 Q184 Q185 Q186 | I156-I182 HydrophobicContact CG2-CG2 4.13Å; R159-I182 HydrophobicContact CB-CD1 3.93Å; R159-I182 HydrophobicContact CB-CG1 3.68Å; E160-I182 HydrophobicContact CG-CD1 4.01Å; L163-I182 HydrophobicContact CD1-CD1 3.62Å; V178-I182 HydrophobicContact CG1-CD1 4.14Å; V178-I182 WeakPolarHBondContact O-CG1 3.25Å; V178-I182 PolarHBondContact O-N 2.86Å; K179-I182 PolarHBondContact O-N 3.48Å; I182-Q184 VanDerWaalsContact C-N 3.32Å; I182-Q184 PolarHBondContact O-N 3.46Å; I182-Q185 PolarHBondContact O-N 3.01Å; I182-Q185 VanDerWaalsContact O-N 3.16Å; I182-Q186 HydrophobicContact CG2-CG 4.36Å; I182-Q186 WeakPolarHBondContact O-CG 3.29Å; I182-Q186 PolarHBondContact O-N 2.95Å |
| 183 | S | 97.2 | Very high | 94.9 | Very high | 70 Ų | 70 | 81 Ų | 81 | 49% | 0.49 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60.1 | -40.2 | 177.7 | -59.5 | 0 | 0 | 0 | 0 | 113 | K179 S180 Q181 Q185 Q186 Q187 | K179-S183 PolarHBondContact O-N 3.2Å; K179-S183 PolarHBondContact O-OG 3.36Å; S180-S183 PolarHBondContact O-N 3.17Å; Q181-S183 VanDerWaalsContact C-N 3.33Å; Q181-S183 PolarHBondContact O-N 2.96Å; S183-Q185 VanDerWaalsContact C-N 3.33Å; S183-Q185 PolarHBondContact O-N 3.4Å; S183-Q186 PolarHBondContact O-N 3.22Å; S183-Q187 PolarHBondContact O-N 3.5Å |
| 184 | Q | 97 | Very high | 94.9 | Very high | 136 Ų | 136 | 77.1 Ų | 77.1 | 64% | 0.636 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -63 | -40.5 | 176.8 | -175.1 | -179 | 31.2 | 0 | 0 | 111.7 | S180 Q181 I182 Q187 K188 | S180-Q184 PolarHBondContact O-N 3.46Å; Q181-Q184 WeakPolarHBondContact O-CB 3.49Å; Q181-Q184 PolarHBondContact O-N 2.89Å; I182-Q184 VanDerWaalsContact C-N 3.32Å; I182-Q184 PolarHBondContact O-N 3.46Å; Q184-Q187 WeakPolarHBondContact O-CB 3.32Å; Q184-Q187 PolarHBondContact O-N 3.33Å; Q184-K188 PolarHBondContact O-N 3.46Å; Q184-K188 VanDerWaalsContact O-N 3.14Å |
| 185 | Q | 96.6 | Very high | 94.8 | Very high | 20 Ų | 20 | 76.9 Ų | 76.9 | 9% | 0.093 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -71.1 | -39.3 | 179 | -71.2 | -178.2 | -19.9 | 0 | 0 | 112.4 | V152 E155 I156 R159 Q181 I182 S183 Q187 K188 L189 | V152-Q185 HydrophobicContact CG1-CB 3.99Å; E155-Q185 PolarHBondContact OE2-NE2 3.12Å; I156-Q185 HydrophobicContact CD1-CB 3.89Å; I156-Q185 HydrophobicContact CG1-CB 3.65Å; R159-Q185 VanDerWaalsContact NH2-NE2 3.19Å; Q181-Q185 WeakPolarHBondContact O-CG 3.46Å; Q181-Q185 PolarHBondContact O-N 3.33Å; I182-Q185 PolarHBondContact O-N 3.01Å; I182-Q185 VanDerWaalsContact O-N 3.16Å; S183-Q185 VanDerWaalsContact C-N 3.33Å; S183-Q185 PolarHBondContact O-N 3.4Å; Q185-Q187 VanDerWaalsContact C-N 3.28Å; Q185-Q187 PolarHBondContact O-N 3.08Å; Q185-K188 WeakPolarHBondContact O-CB 3.47Å; Q185-K188 PolarHBondContact O-N 3.12Å; Q185-K188 VanDerWaalsContact O-N 3.11Å; Q185-L189 PolarHBondContact O-N 3.45Å |
| 186 | Q | 96.4 | Very high | 94.5 | Very high | 94 Ų | 94 | 80.2 Ų | 80.2 | 44% | 0.439 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -59.8 | -39.5 | 172.2 | -71.6 | 175.1 | -4.6 | 0 | 0 | 111.7 | I156 I182 S183 K188 L189 H190 | I156-Q186 HydrophobicContact CD1-CG 3.78Å; I182-Q186 HydrophobicContact CG2-CG 4.36Å; I182-Q186 WeakPolarHBondContact O-CG 3.29Å; I182-Q186 PolarHBondContact O-N 2.95Å; S183-Q186 PolarHBondContact O-N 3.22Å; Q186-K188 VanDerWaalsContact C-N 3.35Å; Q186-K188 PolarHBondContact O-N 3.06Å; Q186-L189 PolarHBondContact O-N 2.84Å; Q186-H190 PolarHBondContact O-N 3.17Å |
| 187 | Q | 95.6 | Very high | 94.1 | Very high | 138 Ų | 138 | 77.5 Ų | 77.5 | 65% | 0.645 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -62.4 | -42 | 173.8 | -175.7 | -179.2 | -7.1 | 0 | 0 | 111.9 | S183 Q184 Q185 L189 H190 E191 | S183-Q187 PolarHBondContact O-N 3.5Å; Q184-Q187 WeakPolarHBondContact O-CB 3.32Å; Q184-Q187 PolarHBondContact O-N 3.33Å; Q185-Q187 VanDerWaalsContact C-N 3.28Å; Q185-Q187 PolarHBondContact O-N 3.08Å; Q187-L189 VanDerWaalsContact C-N 3.33Å; Q187-L189 PolarHBondContact O-N 3.01Å; Q187-H190 PolarHBondContact O-N 2.89Å; Q187-E191 PolarHBondContact O-N 3.28Å |
| 188 | K | 93.9 | Very high | 93.8 | Very high | 92 Ų | 92 | 78.4 Ų | 78.4 | 40% | 0.4 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.9 | -40.5 | 176.5 | -174.6 | -174.5 | 173.9 | -162.6 | 0 | 111.7 | V152 Q184 Q185 Q186 H190 E191 L192 | V152-K188 HydrophobicContact CG2-CD 3.87Å; Q184-K188 PolarHBondContact O-N 3.46Å; Q184-K188 VanDerWaalsContact O-N 3.14Å; Q185-K188 WeakPolarHBondContact O-CB 3.47Å; Q185-K188 PolarHBondContact O-N 3.12Å; Q185-K188 VanDerWaalsContact O-N 3.11Å; Q186-K188 VanDerWaalsContact C-N 3.35Å; Q186-K188 PolarHBondContact O-N 3.06Å; K188-H190 VanDerWaalsContact C-N 3.35Å; K188-H190 PolarHBondContact O-N 3.35Å; K188-E191 PolarHBondContact O-N 3.4Å; K188-L192 HydrophobicContact CG-CD1 4.45Å; K188-L192 WeakPolarHBondContact O-CG 3.37Å; K188-L192 PolarHBondContact O-N 3.13Å |
| 189 | L | 93.3 | Very high | 93.3 | Very high | 18 Ų | 18 | 87.3 Ų | 87.3 | 9% | 0.094 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -59.7 | -45.2 | 174.7 | -72.7 | 174.7 | 0 | 0 | 0 | 112 | Y149 V152 L153 I156 Q185 Q186 Q187 E191 L192 E193 | Y149-L189 HydrophobicContact CD2-CD2 3.54Å; Y149-L189 HydrophobicContact CE2-CB 4.25Å; Y149-L189 HydrophobicContact CE2-CD2 3.59Å; Y149-L189 HydrophobicContact CE2-CG 4.47Å; Y149-L189 HydrophobicContact CG-CD2 4.07Å; V152-L189 HydrophobicContact CB-CD2 3.71Å; V152-L189 HydrophobicContact CB-CG 4.19Å; V152-L189 HydrophobicContact CG1-CD1 4.18Å; V152-L189 HydrophobicContact CG1-CD2 3.69Å; V152-L189 HydrophobicContact CG1-CG 3.58Å; L153-L189 HydrophobicContact CD2-CD1 3.6Å; L153-L189 HydrophobicContact CG-CD1 4.18Å; L153-L189 HydrophobicContact CG-CD2 4.27Å; I156-L189 HydrophobicContact CD1-CD1 3.54Å; I156-L189 HydrophobicContact CD1-CG 4.43Å; Q185-L189 PolarHBondContact O-N 3.45Å; Q186-L189 PolarHBondContact O-N 2.84Å; Q187-L189 VanDerWaalsContact C-N 3.33Å; Q187-L189 PolarHBondContact O-N 3.01Å; L189-E191 VanDerWaalsContact C-N 3.32Å; L189-E191 PolarHBondContact O-N 2.99Å; L189-L192 PolarHBondContact O-N 2.93Å; L189-E193 PolarHBondContact O-N 3.26Å |
| 190 | H | 92.9 | Very high | 92.7 | Very high | 127 Ų | 127 | 87.3 Ų | 87.3 | 59% | 0.588 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -64.5 | -37.2 | 178.9 | -175.4 | -87.8 | 0 | 0 | 0 | 112.2 | Q186 Q187 K188 E193 A194 | Q186-H190 PolarHBondContact O-N 3.17Å; Q187-H190 PolarHBondContact O-N 2.89Å; K188-H190 VanDerWaalsContact C-N 3.35Å; K188-H190 PolarHBondContact O-N 3.35Å; H190-E193 PolarHBondContact O-N 3.49Å; H190-A194 WeakPolarHBondContact O-CB 3.27Å; H190-A194 PolarHBondContact O-N 3.22Å |
| 191 | E | 92.8 | Very high | 92 | Very high | 116 Ų | 116 | 87.5 Ų | 87.5 | 54% | 0.542 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.4 | -45.8 | 174.3 | -174.7 | 177.9 | 178.8 | 0 | 0 | 111.9 | Q187 K188 L189 E193 A194 L195 | Q187-E191 PolarHBondContact O-N 3.28Å; K188-E191 PolarHBondContact O-N 3.4Å; L189-E191 VanDerWaalsContact C-N 3.32Å; L189-E191 PolarHBondContact O-N 2.99Å; E191-E193 VanDerWaalsContact C-N 3.32Å; E191-E193 PolarHBondContact O-N 3.25Å; E191-A194 PolarHBondContact O-N 3.31Å; E191-L195 HydrophobicContact CG-CD1 4.47Å; E191-L195 WeakPolarHBondContact O-CG 3.46Å; E191-L195 PolarHBondContact O-N 2.9Å |
| 192 | L | 90.4 | Very high | 91.3 | Very high | 50 Ų | 50 | 89.3 Ų | 89.3 | 26% | 0.262 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -59.9 | -43 | 176.2 | -71.2 | 174.4 | 0 | 0 | 0 | 111.6 | K188 L189 A194 L195 E196 | K188-L192 HydrophobicContact CG-CD1 4.45Å; K188-L192 WeakPolarHBondContact O-CG 3.37Å; K188-L192 PolarHBondContact O-N 3.13Å; L189-L192 PolarHBondContact O-N 2.93Å; L192-A194 VanDerWaalsContact C-N 3.35Å; L192-A194 PolarHBondContact O-N 2.83Å; L192-L195 PolarHBondContact O-N 3.27Å; L192-E196 PolarHBondContact O-N 3.38Å |
| 193 | E | 90.3 | Very high | 90.4 | Very high | 68 Ų | 68 | 93.5 Ų | 93.5 | 32% | 0.318 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.6 | -39.7 | 177 | -167 | -169.2 | 163.9 | 0 | 0 | 112 | L189 H190 E191 E196 K197 | L189-E193 PolarHBondContact O-N 3.26Å; H190-E193 PolarHBondContact O-N 3.49Å; E191-E193 VanDerWaalsContact C-N 3.32Å; E191-E193 PolarHBondContact O-N 3.25Å; E193-E196 PolarHBondContact O-N 2.74Å; E193-K197 WeakPolarHBondContact O-CG 3.18Å; E193-K197 PolarHBondContact O-N 2.6Å; E193-K197 WeakPolarHBondContact OE1-CE 3.4Å; E193-K197 IonicContact OE1-NZ 2.68Å; E193-K197 PolarHBondContact OE1-NZ 3.13Å |
| 194 | A | 91.3 | Very high | 89.2 | Confident | 49 Ų | 49 | 95.2 Ų | 95.2 | 41% | 0.405 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.6 | -44.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | H190 E191 L192 E196 K197 E198 | H190-A194 WeakPolarHBondContact O-CB 3.27Å; H190-A194 PolarHBondContact O-N 3.22Å; E191-A194 PolarHBondContact O-N 3.31Å; L192-A194 VanDerWaalsContact C-N 3.35Å; L192-A194 PolarHBondContact O-N 2.83Å; A194-E196 VanDerWaalsContact C-N 3.32Å; A194-E196 PolarHBondContact O-N 3.21Å; A194-K197 PolarHBondContact O-N 3.17Å; A194-E198 PolarHBondContact O-N 2.88Å |
| 195 | L | 88.8 | Confident | 88.2 | Confident | 89 Ų | 89 | 92.1 Ų | 92.1 | 47% | 0.466 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.7 | -38.1 | 176 | -68.6 | 172.9 | 0 | 0 | 0 | 111.9 | E191 L192 E198 R199 | E191-L195 HydrophobicContact CG-CD1 4.47Å; E191-L195 WeakPolarHBondContact O-CG 3.46Å; E191-L195 PolarHBondContact O-N 2.9Å; L192-L195 PolarHBondContact O-N 3.27Å; L195-E198 PolarHBondContact O-N 3.09Å; L195-R199 PolarHBondContact O-N 3.44Å |
| 196 | E | 88.6 | Confident | 86.9 | Confident | 98 Ų | 98 | 96 Ų | 96 | 46% | 0.458 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -66.5 | -43.3 | 177 | -159.8 | -161.7 | 176.8 | 0 | 0 | 111.6 | L192 E193 A194 E198 R199 K200 | L192-E196 PolarHBondContact O-N 3.38Å; E193-E196 PolarHBondContact O-N 2.74Å; A194-E196 VanDerWaalsContact C-N 3.32Å; A194-E196 PolarHBondContact O-N 3.21Å; E196-E198 VanDerWaalsContact C-N 3.3Å; E196-E198 PolarHBondContact O-N 2.82Å; E196-R199 PolarHBondContact O-N 3.15Å; E196-K200 HydrophobicContact CG-CD 4.47Å; E196-K200 WeakPolarHBondContact O-CG 3.26Å; E196-K200 PolarHBondContact O-N 2.73Å; E196-K200 WeakPolarHBondContact OE1-CE 3.27Å; E196-K200 IonicContact OE1-NZ 2.66Å; E196-K200 PolarHBondContact OE1-NZ 3.41Å; E196-K200 IonicContact OE2-NZ 3.36Å; E196-K200 PolarHBondContact OE2-NZ 2.76Å |
| 197 | K | 88.4 | Confident | 85.7 | Confident | 116 Ų | 116 | 97.2 Ų | 97.2 | 50% | 0.504 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -58.9 | -41.3 | 173.6 | -74.7 | 170.7 | -176.6 | 165.2 | 0 | 111.7 | E193 A194 K200 S201 | E193-K197 WeakPolarHBondContact O-CG 3.18Å; E193-K197 PolarHBondContact O-N 2.6Å; E193-K197 WeakPolarHBondContact OE1-CE 3.4Å; E193-K197 IonicContact OE1-NZ 2.68Å; E193-K197 PolarHBondContact OE1-NZ 3.13Å; A194-K197 PolarHBondContact O-N 3.17Å; K197-K200 PolarHBondContact O-N 2.92Å; K197-S201 PolarHBondContact O-N 3.13Å |
| 198 | E | 89.4 | Confident | 84.3 | Confident | 93 Ų | 93 | 96 Ų | 96 | 44% | 0.435 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -67.9 | -38.4 | 176.8 | -165.3 | -171.7 | 162.6 | 0 | 0 | 112.5 | A194 L195 E196 S201 K202 | A194-E198 PolarHBondContact O-N 2.88Å; L195-E198 PolarHBondContact O-N 3.09Å; E196-E198 VanDerWaalsContact C-N 3.3Å; E196-E198 PolarHBondContact O-N 2.82Å; E198-S201 PolarHBondContact O-N 3.27Å; E198-S201 PolarHBondContact O-OG 3.36Å; E198-K202 WeakPolarHBondContact O-CG 3.4Å; E198-K202 PolarHBondContact O-N 3.06Å; E198-K202 VanDerWaalsContact O-N 3.16Å; E198-K202 WeakPolarHBondContact OE1-CE 3.46Å; E198-K202 IonicContact OE1-NZ 2.84Å; E198-K202 PolarHBondContact OE1-NZ 2.98Å |
| 199 | R | 87.1 | Confident | 82.7 | Confident | 200 Ų | 200 | 99.8 Ų | 99.8 | 76% | 0.755 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -63.1 | -46.4 | 172.9 | -76.1 | -171.8 | 107.7 | 103.8 | -0.6 | 111.6 | L195 E196 S201 K202 E203 | L195-R199 PolarHBondContact O-N 3.44Å; E196-R199 PolarHBondContact O-N 3.15Å; R199-S201 VanDerWaalsContact C-N 3.3Å; R199-S201 PolarHBondContact O-N 2.85Å; R199-K202 PolarHBondContact O-N 2.79Å; R199-E203 WeakPolarHBondContact O-CB 3.47Å; R199-E203 PolarHBondContact O-N 2.96Å |
| 200 | K | 84.8 | Confident | 81.2 | Confident | 116 Ų | 116 | 106.3 Ų | 106.3 | 50% | 0.504 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.1 | -38.3 | 179 | -75.8 | 172.7 | -179.7 | 165.3 | 0 | 111.9 | E196 K197 N204 | E196-K200 HydrophobicContact CG-CD 4.47Å; E196-K200 WeakPolarHBondContact O-CG 3.26Å; E196-K200 PolarHBondContact O-N 2.73Å; E196-K200 WeakPolarHBondContact OE1-CE 3.27Å; E196-K200 IonicContact OE1-NZ 2.66Å; E196-K200 PolarHBondContact OE1-NZ 3.41Å; E196-K200 IonicContact OE2-NZ 3.36Å; E196-K200 PolarHBondContact OE2-NZ 2.76Å; K197-K200 PolarHBondContact O-N 2.92Å; K200-N204 WeakPolarHBondContact O-CB 3.16Å; K200-N204 PolarHBondContact O-N 3.34Å; K200-N204 VanDerWaalsContact O-N 3.12Å |
| 201 | S | 83.4 | Confident | 79.6 | Confident | 63 Ų | 63 | 107.9 Ų | 107.9 | 44% | 0.441 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.3 | -43.9 | 177.4 | 69.1 | 0 | 0 | 0 | 0 | 112.3 | K197 E198 R199 N204 T205 | K197-S201 PolarHBondContact O-N 3.13Å; E198-S201 PolarHBondContact O-N 3.27Å; E198-S201 PolarHBondContact O-OG 3.36Å; R199-S201 VanDerWaalsContact C-N 3.3Å; R199-S201 PolarHBondContact O-N 2.85Å; S201-N204 PolarHBondContact O-N 3.41Å; S201-T205 PolarHBondContact O-N 3Å; S201-T205 PolarHBondContact O-OG1 3.12Å |
| 202 | K | 81.2 | Confident | 77.8 | Confident | 110 Ų | 110 | 110.1 Ų | 110.1 | 48% | 0.478 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.8 | -44.4 | 176.1 | -71.3 | 174.9 | -175.5 | 168.1 | 0 | 112.5 | E198 R199 N204 T205 D206 | E198-K202 WeakPolarHBondContact O-CG 3.4Å; E198-K202 PolarHBondContact O-N 3.06Å; E198-K202 VanDerWaalsContact O-N 3.16Å; E198-K202 WeakPolarHBondContact OE1-CE 3.46Å; E198-K202 IonicContact OE1-NZ 2.84Å; E198-K202 PolarHBondContact OE1-NZ 2.98Å; R199-K202 PolarHBondContact O-N 2.79Å; K202-N204 VanDerWaalsContact C-N 3.27Å; K202-N204 PolarHBondContact O-N 2.85Å; K202-T205 WeakPolarHBondContact CA-OG1 3.37Å; K202-T205 PolarHBondContact O-N 3.03Å; K202-T205 PolarHBondContact O-OG1 3.05Å; K202-D206 PolarHBondContact O-N 2.75Å |
| 203 | E | 78.1 | Confident | 76 | Confident | 101 Ų | 101 | 115.5 Ų | 115.5 | 47% | 0.472 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.2 | -35.9 | 178.2 | -166.8 | -174.9 | 161.7 | 0 | 0 | 112 | R199 D206 K207 | R199-E203 WeakPolarHBondContact O-CB 3.47Å; R199-E203 PolarHBondContact O-N 2.96Å; E203-D206 PolarHBondContact O-N 3.29Å; E203-K207 HydrophobicContact CG-CD 4.5Å; E203-K207 WeakPolarHBondContact O-CG 2.76Å; E203-K207 PolarHBondContact O-N 3.4Å; E203-K207 VanDerWaalsContact O-N 3.09Å; E203-K207 VanDerWaalsContact OE1-CE 3.24Å; E203-K207 WeakPolarHBondContact OE1-CE 2.93Å; E203-K207 IonicContact OE1-NZ 2.67Å; E203-K207 PolarHBondContact OE1-NZ 3.33Å |
| 204 | N | 73.6 | Confident | 74.3 | Confident | 106 Ų | 106 | 121.8 Ų | 121.8 | 57% | 0.567 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -67.4 | -40.9 | 175.1 | -159.6 | -1.9 | 0 | 0 | 0 | 111.6 | K200 S201 K202 K207 Q208 | K200-N204 WeakPolarHBondContact O-CB 3.16Å; K200-N204 PolarHBondContact O-N 3.34Å; K200-N204 VanDerWaalsContact O-N 3.12Å; S201-N204 PolarHBondContact O-N 3.41Å; K202-N204 VanDerWaalsContact C-N 3.27Å; K202-N204 PolarHBondContact O-N 2.85Å; N204-K207 PolarHBondContact O-N 2.77Å; N204-Q208 PolarHBondContact O-N 3.13Å; N204-Q208 VanDerWaalsContact O-N 3.1Å |
| 205 | T | 74.2 | Confident | 73.4 | Confident | 70 Ų | 70 | 125.4 Ų | 125.4 | 43% | 0.429 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -63.8 | -41.4 | 174.1 | 53.7 | 0 | 0 | 0 | 0 | 112.3 | S201 K202 K207 Q208 Y209 | S201-T205 PolarHBondContact O-N 3Å; S201-T205 PolarHBondContact O-OG1 3.12Å; K202-T205 WeakPolarHBondContact CA-OG1 3.37Å; K202-T205 PolarHBondContact O-N 3.03Å; K202-T205 PolarHBondContact O-OG1 3.05Å; T205-K207 PolarHBondContact O-N 3.24Å; T205-Q208 WeakPolarHBondContact O-CB 3.47Å; T205-Q208 PolarHBondContact O-N 2.97Å; T205-Y209 WeakPolarHBondContact O-CD2 3.15Å; T205-Y209 PolarHBondContact O-N 3.48Å |
| 206 | D | 70.1 | Confident | 72.6 | Confident | 102 Ų | 102 | 127.3 Ų | 127.3 | 55% | 0.545 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -66.6 | -38.1 | -179.5 | -72.7 | -21.2 | 0 | 0 | 0 | 112.5 | K202 E203 Y209 H210 | K202-D206 PolarHBondContact O-N 2.75Å; E203-D206 PolarHBondContact O-N 3.29Å; D206-Y209 PolarHBondContact O-N 2.8Å; D206-H210 PolarHBondContact O-N 3.2Å |
| 207 | K | 71.3 | Confident | 71.7 | Confident | 120 Ų | 120 | 128.9 Ų | 128.9 | 52% | 0.522 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -63.8 | -40.6 | 172.9 | -73.2 | 172.2 | -175.5 | 168.2 | 0 | 111.6 | E203 N204 T205 H210 Q211 | E203-K207 HydrophobicContact CG-CD 4.5Å; E203-K207 WeakPolarHBondContact O-CG 2.76Å; E203-K207 PolarHBondContact O-N 3.4Å; E203-K207 VanDerWaalsContact O-N 3.09Å; E203-K207 VanDerWaalsContact OE1-CE 3.24Å; E203-K207 WeakPolarHBondContact OE1-CE 2.93Å; E203-K207 IonicContact OE1-NZ 2.67Å; E203-K207 PolarHBondContact OE1-NZ 3.33Å; N204-K207 PolarHBondContact O-N 2.77Å; T205-K207 PolarHBondContact O-N 3.24Å; K207-H210 PolarHBondContact O-N 3.24Å; K207-Q211 PolarHBondContact O-N 3.26Å; K207-Q211 VanDerWaalsContact O-N 3.13Å |
| 208 | Q | 65.8 | Low | 70.8 | Confident | 113 Ų | 113 | 129.7 Ų | 129.7 | 53% | 0.528 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -61.7 | -45.2 | 173.3 | -169.4 | 116.1 | -9.4 | 0 | 0 | 111.1 | N204 T205 H210 Q211 F212 | N204-Q208 PolarHBondContact O-N 3.13Å; N204-Q208 VanDerWaalsContact O-N 3.1Å; T205-Q208 WeakPolarHBondContact O-CB 3.47Å; T205-Q208 PolarHBondContact O-N 2.97Å; Q208-H210 VanDerWaalsContact C-N 3.32Å; Q208-H210 PolarHBondContact O-N 3.08Å; Q208-Q211 PolarHBondContact O-N 3.22Å; Q208-F212 HydrophobicContact CG-CD2 4.4Å; Q208-F212 HydrophobicContact CG-CE2 4.25Å; Q208-F212 VanDerWaalsContact O-CD2 3.32Å; Q208-F212 WeakPolarHBondContact O-CD2 3.33Å |
| 209 | Y | 61.4 | Low | 69.6 | Low | 171 Ų | 171 | 132 Ų | 132 | 67% | 0.671 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -64.4 | -31.1 | 177.6 | -78.1 | -70.3 | 0 | 0 | 0 | 113.8 | T205 D206 | T205-Y209 WeakPolarHBondContact O-CD2 3.15Å; T205-Y209 PolarHBondContact O-N 3.48Å; D206-Y209 PolarHBondContact O-N 2.8Å |
| 210 | H | 61.5 | Low | 68.4 | Low | 154 Ų | 154 | 127.5 Ų | 127.5 | 71% | 0.713 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -78.1 | -22.3 | 175.6 | -105 | 62.9 | 0 | 0 | 0 | 114 | D206 K207 Q208 F212 | D206-H210 PolarHBondContact O-N 3.2Å; K207-H210 PolarHBondContact O-N 3.24Å; Q208-H210 VanDerWaalsContact C-N 3.32Å; Q208-H210 PolarHBondContact O-N 3.08Å; H210-F212 VanDerWaalsContact C-N 3.31Å |
| 211 | Q | 58.4 | Low | 67.3 | Low | 161 Ų | 161 | 128.3 Ų | 128.3 | 75% | 0.752 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -80 | -13.1 | 178.5 | -153.6 | 164.7 | 18.8 | 0 | 0 | 113.3 | K207 Q208 | K207-Q211 PolarHBondContact O-N 3.26Å; K207-Q211 VanDerWaalsContact O-N 3.13Å; Q208-Q211 PolarHBondContact O-N 3.22Å |
| 212 | F | 56.6 | Low | 66 | Low | 163 Ų | 163 | 133.3 Ų | 133.3 | 72% | 0.715 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.1 | 9.6 | 179.2 | -75.1 | -78.7 | 0 | 0 | 0 | 114.5 | Q208 H210 | Q208-F212 HydrophobicContact CG-CD2 4.4Å; Q208-F212 HydrophobicContact CG-CE2 4.25Å; Q208-F212 VanDerWaalsContact O-CD2 3.32Å; Q208-F212 WeakPolarHBondContact O-CD2 3.33Å; H210-F212 VanDerWaalsContact C-N 3.31Å |
| 213 | K | 51.4 | Low | 64.8 | Low | 162 Ų | 162 | 135.3 Ų | 135.3 | 70% | 0.704 | 66% | 0.66 | S | S | * | * | trans | -96.7 | 125.7 | 169 | -82.4 | -172.6 | 175.6 | -177.5 | 0 | 110.1 | ||||
| 214 | P | 54.7 | Low | 63.5 | Low | 200 Ų | 200 | 138.4 Ų | 138.4 | 100% | 1.299 | 68% | 0.677 | S | S | * | * | trans | -69.7 | 0 | 179.9 | 30.1 | -34.8 | 0 | 0 | 0 | 113.1 |
Retrieved 214 of 214 residues in 226.6 ms
(Link to these results)