| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 43.1 | Very low | 46.8 | Very low | 236 Ų | 236 | 149.9 Ų | 149.9 | 100% | 1.163 | 84% | 0.84 | S | S | * | * | 0 | 127.5 | 0 | -78.1 | 179 | 167 | 0 | 0 | 108.1 | |||||
| 2 | T | 43.6 | Very low | 47.4 | Very low | 138 Ų | 138 | 156 Ų | 156 | 85% | 0.847 | 84% | 0.84 | S | S | * | * | trans | 32.5 | 103.8 | 157 | 54.8 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 3 | E | 48.3 | Very low | 47.9 | Very low | 193 Ų | 193 | 153.2 Ų | 153.2 | 90% | 0.902 | 84% | 0.836 | S | S | * | * | trans | -70.6 | 149.1 | 153 | -54.1 | 164.7 | 136.5 | 0 | 0 | 110.4 | ||||
| 4 | S | 47.2 | Very low | 48.8 | Very low | 119 Ų | 119 | 158.1 Ų | 158.1 | 83% | 0.832 | 84% | 0.836 | S | S | * | * | trans | -170.4 | 80.5 | 147.5 | 51.6 | 0 | 0 | 0 | 0 | 111.5 | A6 | S4-A6 PolarHBondContact O-N 3.43Š| ||
| 5 | K | 44.5 | Very low | 49.7 | Very low | 193 Ų | 193 | 159.7 Ų | 159.7 | 84% | 0.839 | 84% | 0.837 | S | S | * | * | trans | -80.1 | 108.9 | 167.2 | -171.2 | 172.5 | -177.9 | -179.7 | 0 | 108.2 | E7 | K5-E7 PolarHBondContact O-N 3.34Š| ||
| 6 | A | 46.9 | Very low | 50.5 | Low | 104 Ų | 104 | 159.2 Ų | 159.2 | 86% | 0.86 | 83% | 0.834 | S | S | * | * | trans | -70.4 | 101.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | S4 | S4-A6 PolarHBondContact O-N 3.43Š| ||
| 7 | E | 44.6 | Very low | 51 | Low | 164 Ų | 164 | 159.4 Ų | 159.4 | 77% | 0.766 | 84% | 0.835 | S | S | * | * | trans | -79 | 119.3 | 170.7 | -64.5 | -170.8 | 153.3 | 0 | 0 | 110.1 | K5 V9 | K5-E7 PolarHBondContact O-N 3.34Å; E7-V9 PolarHBondContact O-N 2.87Å | ||
| 8 | S | 46.6 | Very low | 51.6 | Low | 120 Ų | 120 | 152.7 Ų | 152.7 | 84% | 0.839 | 81% | 0.807 | S | S | * | * | trans | -72.7 | 90.3 | 176.9 | 57.5 | 0 | 0 | 0 | 0 | 110.3 | S10 | S8-S10 PolarHBondContact O-N 3.04Š| ||
| 9 | V | 45.7 | Very low | 52.4 | Low | 113 Ų | 113 | 153.9 Ų | 153.9 | 69% | 0.685 | 81% | 0.813 | S | S | * | * | trans | -62.7 | 103.9 | 172.9 | -179.7 | 0 | 0 | 0 | 0 | 109 | E7 Q11 | E7-V9 PolarHBondContact O-N 2.87Å; V9-Q11 VanDerWaalsContact C-N 3.29Å; V9-Q11 HydrophobicContact CG1-CG 4.13Å; V9-Q11 PolarHBondContact O-N 3.09Å | ||
| 10 | S | 48.6 | Very low | 53.8 | Low | 110 Ų | 110 | 151.1 Ų | 151.1 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | -66.6 | 92.1 | 167.2 | -175.8 | 0 | 0 | 0 | 0 | 108.4 | S8 R12 | S8-S10 PolarHBondContact O-N 3.04Å; S10-R12 PolarHBondContact O-N 3.26Å | ||
| 11 | Q | 55.6 | Low | 55.3 | Low | 159 Ų | 159 | 148.3 Ų | 148.3 | 74% | 0.743 | 79% | 0.789 | S | S | * | * | trans | -67 | 104.2 | 177.1 | -65.9 | -173.3 | 8.1 | 0 | 0 | 108.3 | V9 | V9-Q11 VanDerWaalsContact C-N 3.29Å; V9-Q11 HydrophobicContact CG1-CG 4.13Å; V9-Q11 PolarHBondContact O-N 3.09Å | ||
| 12 | R | 54.1 | Low | 57.3 | Low | 223 Ų | 223 | 144.6 Ų | 144.6 | 84% | 0.842 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 138.9 | 163.8 | -59 | -178.5 | -169.5 | 179.4 | 3.9 | 107.3 | S10 R14 | S10-R12 PolarHBondContact O-N 3.26Å; R12-R14 PolarHBondContact O-N 3.45Å; R12-R14 VanDerWaalsContact O-N 3.11Å |
| 13 | P | 54.5 | Low | 59.2 | Low | 120 Ų | 120 | 143 Ų | 143 | 78% | 0.779 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 125.4 | 175.9 | 24.1 | -33.3 | 0 | 0 | 0 | 108.1 | E15 | P13-E15 PolarHBondContact O-N 3.35Å; P13-E15 VanDerWaalsContact O-N 3.11Å |
| 14 | R | 60.7 | Low | 60.8 | Low | 222 Ų | 222 | 136.9 Ų | 136.9 | 84% | 0.838 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 121.7 | 178.8 | -73.5 | 178.4 | 172.5 | 164 | -3 | 107.7 | R12 L16 | R12-R14 PolarHBondContact O-N 3.45Å; R12-R14 VanDerWaalsContact O-N 3.11Å; R14-L16 PolarHBondContact O-N 2.95Å |
| 15 | E | 61.7 | Low | 62.7 | Low | 181 Ų | 181 | 134.8 Ų | 134.8 | 85% | 0.846 | 71% | 0.708 | S | S | * | * | trans | -59.2 | 111.1 | 170.2 | -70 | 179.4 | 165.3 | 0 | 0 | 107 | P13 L17 | P13-E15 PolarHBondContact O-N 3.35Å; P13-E15 VanDerWaalsContact O-N 3.11Å; E15-L17 VanDerWaalsContact C-N 3.29Å; E15-L17 PolarHBondContact O-N 2.99Å | ||
| 16 | L | 61.8 | Low | 64.8 | Low | 152 Ų | 152 | 130.2 Ų | 130.2 | 80% | 0.796 | 69% | 0.689 | S | S | * | * | trans | -69 | 95.7 | 172.3 | -67.2 | 176.5 | 0 | 0 | 0 | 106.2 | R14 A18 | R14-L16 PolarHBondContact O-N 2.95Å; L16-A18 PolarHBondContact O-N 3.17Å | ||
| 17 | L | 59.7 | Low | 66.7 | Low | 162 Ų | 162 | 131.9 Ų | 131.9 | 85% | 0.848 | 68% | 0.677 | S | S | * | * | trans | -55.2 | 102.2 | 170.5 | -78.4 | 167.2 | 0 | 0 | 0 | 108 | E15 L19 | E15-L17 VanDerWaalsContact C-N 3.29Å; E15-L17 PolarHBondContact O-N 2.99Å; L17-L19 PolarHBondContact O-N 2.92Å | ||
| 18 | A | 62.5 | Low | 68.8 | Low | 40 Ų | 40 | 128.8 Ų | 128.8 | 33% | 0.331 | 66% | 0.662 | S | S | . | * | trans | -64.2 | 128.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | L16 N20 E24 | L16-A18 PolarHBondContact O-N 3.17Å; A18-N20 PolarHBondContact O-N 2.95Å; A18-E24 HydrophobicContact CB-CB 3.65Å; A18-E24 HydrophobicContact CB-CG 3.77Å | ||
| 19 | L | 66.9 | Low | 70.9 | Confident | 176 Ų | 176 | 129.3 Ų | 129.3 | 92% | 0.921 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -55 | -25.5 | 178.1 | -81.4 | 147.6 | 0 | 0 | 0 | 112.9 | L17 | L17-L19 PolarHBondContact O-N 2.92Š|
| 20 | N | 80.6 | Confident | 72.9 | Confident | 97 Ų | 97 | 129.7 Ų | 129.7 | 52% | 0.519 | 64% | 0.641 | S | S | . | * | S | Bend | trans | -134.9 | 121.4 | 169.5 | -69.4 | -47.2 | 0 | 0 | 0 | 109.8 | A18 E22 L23 E24 | A18-N20 PolarHBondContact O-N 2.95Å; N20-E22 VanDerWaalsContact C-N 3.35Å; N20-E22 PolarHBondContact O-N 2.64Å; N20-L23 HydrophobicContact CB-CB 4.37Å; N20-L23 HydrophobicContact CB-CD1 4.03Å; N20-L23 HydrophobicContact CB-CG 4.11Å; N20-E24 PolarHBondContact O-N 2.84Å |
| 21 | P | 83.8 | Confident | 74.8 | Confident | 92 Ų | 92 | 127.7 Ų | 127.7 | 60% | 0.597 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -68.9 | -30.4 | -177 | 26.6 | -34.2 | 0 | 0 | 0 | 113.2 | E24 V25 | P21-E24 WeakPolarHBondContact O-CB 3.5Å; P21-E24 PolarHBondContact O-N 2.86Å; P21-V25 WeakPolarHBondContact O-CG2 3.46Å; P21-V25 PolarHBondContact O-N 2.98Å; P21-V25 VanDerWaalsContact O-N 3.09Å |
| 22 | E | 84.8 | Confident | 76.2 | Confident | 158 Ų | 158 | 125.6 Ų | 125.6 | 74% | 0.738 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -64.6 | -45.6 | -180 | -60 | -176.3 | 157.1 | 0 | 0 | 111.9 | N20 E24 V25 E26 | N20-E22 VanDerWaalsContact C-N 3.35Å; N20-E22 PolarHBondContact O-N 2.64Å; E22-E24 VanDerWaalsContact C-N 3.25Å; E22-E24 PolarHBondContact O-N 3.36Å; E22-V25 PolarHBondContact O-N 2.86Å; E22-E26 PolarHBondContact O-N 2.95Å |
| 23 | L | 83.4 | Confident | 77.7 | Confident | 104 Ų | 104 | 120.2 Ų | 120.2 | 55% | 0.545 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -64.2 | -30.7 | 176.1 | -62.5 | -179.2 | 0 | 0 | 0 | 112 | N20 F27 | N20-L23 HydrophobicContact CB-CB 4.37Å; N20-L23 HydrophobicContact CB-CD1 4.03Å; N20-L23 HydrophobicContact CB-CG 4.11Å; L23-F27 VanDerWaalsContact O-CB 3.27Å; L23-F27 WeakPolarHBondContact O-CB 3.27Å; L23-F27 PolarHBondContact O-N 3.43Å |
| 24 | E | 82.5 | Confident | 79.1 | Confident | 65 Ų | 65 | 119.3 Ų | 119.3 | 30% | 0.304 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -69.6 | -39.8 | 174.6 | -154.8 | -156.8 | 179 | 0 | 0 | 111.8 | A18 N20 P21 E22 F27 K28 | A18-E24 HydrophobicContact CB-CB 3.65Å; A18-E24 HydrophobicContact CB-CG 3.77Å; N20-E24 PolarHBondContact O-N 2.84Å; P21-E24 WeakPolarHBondContact O-CB 3.5Å; P21-E24 PolarHBondContact O-N 2.86Å; E22-E24 VanDerWaalsContact C-N 3.25Å; E22-E24 PolarHBondContact O-N 3.36Å; E24-F27 PolarHBondContact O-N 2.84Å; E24-K28 VanDerWaalsContact CD-CE 3.43Å; E24-K28 HydrophobicContact CG-CD 4.36Å; E24-K28 VanDerWaalsContact O-CB 3.31Å; E24-K28 WeakPolarHBondContact O-CB 3.42Å; E24-K28 VanDerWaalsContact O-CG 3.27Å; E24-K28 WeakPolarHBondContact O-CG 3.41Å; E24-K28 PolarHBondContact O-N 3.11Å; E24-K28 WeakPolarHBondContact OE1-CE 3.28Å; E24-K28 IonicContact OE1-NZ 3.37Å; E24-K28 PolarHBondContact OE1-NZ 3.28Å; E24-K28 IonicContact OE2-NZ 3.38Å; E24-K28 PolarHBondContact OE2-NZ 3.41Å |
| 25 | V | 87.3 | Confident | 80 | Confident | 75 Ų | 75 | 115.1 Ų | 115.1 | 46% | 0.455 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -64.2 | -42 | 173.9 | 172.9 | 0 | 0 | 0 | 0 | 110.7 | P21 E22 K29 | P21-V25 WeakPolarHBondContact O-CG2 3.46Å; P21-V25 PolarHBondContact O-N 2.98Å; P21-V25 VanDerWaalsContact O-N 3.09Å; E22-V25 PolarHBondContact O-N 2.86Å; V25-K29 HydrophobicContact CG1-CD 4.24Å; V25-K29 WeakPolarHBondContact O-CB 3.43Å; V25-K29 VanDerWaalsContact O-CG 3.28Å; V25-K29 WeakPolarHBondContact O-CG 3.01Å; V25-K29 PolarHBondContact O-N 3.25Å |
| 26 | E | 88.5 | Confident | 80.6 | Confident | 98 Ų | 98 | 113.4 Ų | 113.4 | 46% | 0.458 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62.1 | -45.9 | 172.3 | -74.8 | -156.9 | -178.4 | 0 | 0 | 113 | E22 K29 K30 | E22-E26 PolarHBondContact O-N 2.95Å; E26-K29 PolarHBondContact O-N 3.49Å; E26-K30 WeakPolarHBondContact O-CB 3.46Å; E26-K30 WeakPolarHBondContact O-CG 3.47Å; E26-K30 PolarHBondContact O-N 3.44Å; E26-K30 IonicContact OE2-NZ 2.66Å; E26-K30 PolarHBondContact OE2-NZ 2.84Å |
| 27 | F | 87.9 | Confident | 80.8 | Confident | 138 Ų | 138 | 113.4 Ų | 113.4 | 61% | 0.605 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -62.5 | -46 | 179.2 | -177.6 | -101.3 | 0 | 0 | 0 | 110.9 | L23 E24 K29 K30 V31 | L23-F27 VanDerWaalsContact O-CB 3.27Å; L23-F27 WeakPolarHBondContact O-CB 3.27Å; L23-F27 PolarHBondContact O-N 3.43Å; E24-F27 PolarHBondContact O-N 2.84Å; F27-K29 VanDerWaalsContact C-N 3.34Å; F27-K29 PolarHBondContact O-N 2.84Å; F27-K30 PolarHBondContact O-N 3.15Å; F27-V31 HydrophobicContact CD1-CG2 4.14Å; F27-V31 HydrophobicContact CD2-CG2 4.5Å; F27-V31 HydrophobicContact CE1-CG2 3.79Å; F27-V31 HydrophobicContact CE2-CG2 4.18Å; F27-V31 HydrophobicContact CG-CG2 4.48Å; F27-V31 HydrophobicContact CZ-CG2 3.81Å; F27-V31 WeakPolarHBondContact O-CB 3.31Å; F27-V31 VanDerWaalsContact O-CG2 3.3Å; F27-V31 WeakPolarHBondContact O-CG2 3.3Å; F27-V31 PolarHBondContact O-N 3.11Å |
| 28 | K | 87.4 | Confident | 80.9 | Confident | 100 Ų | 100 | 110.2 Ų | 110.2 | 44% | 0.435 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -58.7 | -42.2 | 173.7 | -75.3 | 168.9 | 179.7 | 165 | 0 | 111.6 | E24 Q32 | E24-K28 VanDerWaalsContact CD-CE 3.43Å; E24-K28 HydrophobicContact CG-CD 4.36Å; E24-K28 VanDerWaalsContact O-CB 3.31Å; E24-K28 WeakPolarHBondContact O-CB 3.42Å; E24-K28 VanDerWaalsContact O-CG 3.27Å; E24-K28 WeakPolarHBondContact O-CG 3.41Å; E24-K28 PolarHBondContact O-N 3.11Å; E24-K28 WeakPolarHBondContact OE1-CE 3.28Å; E24-K28 IonicContact OE1-NZ 3.37Å; E24-K28 PolarHBondContact OE1-NZ 3.28Å; E24-K28 IonicContact OE2-NZ 3.38Å; E24-K28 PolarHBondContact OE2-NZ 3.41Å; K28-Q32 WeakPolarHBondContact O-CB 3.27Å; K28-Q32 VanDerWaalsContact O-CG 3.29Å; K28-Q32 WeakPolarHBondContact O-CG 3.29Å; K28-Q32 PolarHBondContact O-N 2.93Å |
| 29 | K | 90.3 | Very high | 80.8 | Confident | 131 Ų | 131 | 118.1 Ų | 118.1 | 57% | 0.57 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -62.6 | -50.6 | 174.1 | -76.4 | 172.5 | -179.5 | 176.7 | 0 | 111.8 | V25 E26 F27 V31 Q32 E33 | V25-K29 HydrophobicContact CG1-CD 4.24Å; V25-K29 WeakPolarHBondContact O-CB 3.43Å; V25-K29 VanDerWaalsContact O-CG 3.28Å; V25-K29 WeakPolarHBondContact O-CG 3.01Å; V25-K29 PolarHBondContact O-N 3.25Å; E26-K29 PolarHBondContact O-N 3.49Å; F27-K29 VanDerWaalsContact C-N 3.34Å; F27-K29 PolarHBondContact O-N 2.84Å; K29-V31 PolarHBondContact O-N 2.91Å; K29-Q32 CarbonylContact O-C 3.59Å; K29-Q32 PolarHBondContact O-N 3.25Å; K29-Q32 VanDerWaalsContact O-N 3.15Å; K29-E33 PolarHBondContact O-N 2.82Å |
| 30 | K | 87.9 | Confident | 79.9 | Confident | 120 Ų | 120 | 112.6 Ų | 112.6 | 52% | 0.522 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -59.2 | -43.9 | 177.8 | -76.2 | 165.4 | 177.3 | 153.8 | 0 | 111.9 | E26 F27 E33 V34 | E26-K30 WeakPolarHBondContact O-CB 3.46Å; E26-K30 WeakPolarHBondContact O-CG 3.47Å; E26-K30 PolarHBondContact O-N 3.44Å; E26-K30 IonicContact OE2-NZ 2.66Å; E26-K30 PolarHBondContact OE2-NZ 2.84Å; F27-K30 PolarHBondContact O-N 3.15Å; K30-E33 PolarHBondContact O-N 3.2Å; K30-V34 WeakPolarHBondContact O-CG2 3.39Å; K30-V34 PolarHBondContact O-N 3.46Å |
| 31 | V | 88.7 | Confident | 78.5 | Confident | 69 Ų | 69 | 110.3 Ų | 110.3 | 42% | 0.418 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.3 | -41.6 | 174.9 | 170.1 | 0 | 0 | 0 | 0 | 111.5 | F27 K29 V34 K35 | F27-V31 HydrophobicContact CD1-CG2 4.14Å; F27-V31 HydrophobicContact CD2-CG2 4.5Å; F27-V31 HydrophobicContact CE1-CG2 3.79Å; F27-V31 HydrophobicContact CE2-CG2 4.18Å; F27-V31 HydrophobicContact CG-CG2 4.48Å; F27-V31 HydrophobicContact CZ-CG2 3.81Å; F27-V31 WeakPolarHBondContact O-CB 3.31Å; F27-V31 VanDerWaalsContact O-CG2 3.3Å; F27-V31 WeakPolarHBondContact O-CG2 3.3Å; F27-V31 PolarHBondContact O-N 3.11Å; K29-V31 PolarHBondContact O-N 2.91Å; V31-V34 PolarHBondContact O-N 2.77Å; V31-K35 VanDerWaalsContact O-CB 3.24Å; V31-K35 WeakPolarHBondContact O-CB 3.24Å; V31-K35 PolarHBondContact O-N 3.47Å |
| 32 | Q | 85.4 | Confident | 76.9 | Confident | 114 Ų | 114 | 116 Ų | 116 | 53% | 0.533 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -65.3 | -37.3 | 174 | -75.7 | -177.1 | 16.8 | 0 | 0 | 112.6 | K28 K29 K35 K36 | K28-Q32 WeakPolarHBondContact O-CB 3.27Å; K28-Q32 VanDerWaalsContact O-CG 3.29Å; K28-Q32 WeakPolarHBondContact O-CG 3.29Å; K28-Q32 PolarHBondContact O-N 2.93Å; K29-Q32 CarbonylContact O-C 3.59Å; K29-Q32 PolarHBondContact O-N 3.25Å; K29-Q32 VanDerWaalsContact O-N 3.15Å; Q32-K35 PolarHBondContact O-N 2.94Å; Q32-K36 VanDerWaalsContact O-CB 3.31Å; Q32-K36 WeakPolarHBondContact O-CB 3.39Å; Q32-K36 VanDerWaalsContact O-CG 3.25Å; Q32-K36 WeakPolarHBondContact O-CG 3.18Å; Q32-K36 PolarHBondContact O-N 3.31Å |
| 33 | E | 85.8 | Confident | 75.5 | Confident | 110 Ų | 110 | 111.6 Ų | 111.6 | 51% | 0.514 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -66.5 | -44.6 | 174.7 | -76.5 | -171.6 | 178.9 | 0 | 0 | 112.4 | K29 K30 K35 K36 K37 | K29-E33 PolarHBondContact O-N 2.82Å; K30-E33 PolarHBondContact O-N 3.2Å; E33-K35 VanDerWaalsContact C-N 3.31Å; E33-K35 PolarHBondContact O-N 2.97Å; E33-K36 CarbonylContact O-C 3.59Å; E33-K36 PolarHBondContact O-N 3.29Å; E33-K37 WeakPolarHBondContact O-CB 3.25Å; E33-K37 WeakPolarHBondContact O-CG 3.31Å; E33-K37 PolarHBondContact O-N 2.89Å |
| 34 | V | 83.3 | Confident | 74.4 | Confident | 101 Ų | 101 | 111.3 Ų | 111.3 | 61% | 0.612 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -61.3 | -42.9 | 174.6 | 173 | 0 | 0 | 0 | 0 | 110.2 | K30 V31 K36 K37 S38 | K30-V34 WeakPolarHBondContact O-CG2 3.39Å; K30-V34 PolarHBondContact O-N 3.46Å; V31-V34 PolarHBondContact O-N 2.77Å; V34-K36 VanDerWaalsContact C-N 3.32Å; V34-K36 PolarHBondContact O-N 2.86Å; V34-K37 PolarHBondContact O-N 3.29Å; V34-S38 PolarHBondContact O-N 3.39Å; V34-S38 PolarHBondContact O-OG 3.31Å |
| 35 | K | 80 | Confident | 73.4 | Confident | 135 Ų | 135 | 119.6 Ų | 119.6 | 59% | 0.587 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -69.8 | -24.5 | 176.6 | -165.9 | 171.1 | -176.3 | 173.8 | 0 | 113.6 | V31 Q32 E33 S38 R39 | V31-K35 VanDerWaalsContact O-CB 3.24Å; V31-K35 WeakPolarHBondContact O-CB 3.24Å; V31-K35 PolarHBondContact O-N 3.47Å; Q32-K35 PolarHBondContact O-N 2.94Å; E33-K35 VanDerWaalsContact C-N 3.31Å; E33-K35 PolarHBondContact O-N 2.97Å; K35-S38 PolarHBondContact O-OG 3Å; K35-R39 WeakPolarHBondContact O-CB 3.4Å; K35-R39 WeakPolarHBondContact O-CD 3.47Å; K35-R39 WeakPolarHBondContact O-CG 3.35Å; K35-R39 PolarHBondContact O-N 3.45Å |
| 36 | K | 73.2 | Confident | 73.1 | Confident | 145 Ų | 145 | 119.8 Ų | 119.8 | 63% | 0.63 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -80.4 | -38.5 | 170.3 | -78.4 | 173.1 | 179.6 | 177.3 | 0 | 111.6 | Q32 E33 V34 R39 G40 | Q32-K36 VanDerWaalsContact O-CB 3.31Å; Q32-K36 WeakPolarHBondContact O-CB 3.39Å; Q32-K36 VanDerWaalsContact O-CG 3.25Å; Q32-K36 WeakPolarHBondContact O-CG 3.18Å; Q32-K36 PolarHBondContact O-N 3.31Å; E33-K36 CarbonylContact O-C 3.59Å; E33-K36 PolarHBondContact O-N 3.29Å; V34-K36 VanDerWaalsContact C-N 3.32Å; V34-K36 PolarHBondContact O-N 2.86Å; K36-R39 CarbonylContact O-C 3.54Å; K36-R39 PolarHBondContact O-N 2.87Å; K36-G40 WeakPolarHBondContact O-CA 3.41Å; K36-G40 PolarHBondContact O-N 2.82Å |
| 37 | K | 66.9 | Low | 73.2 | Confident | 151 Ų | 151 | 119.1 Ų | 119.1 | 66% | 0.657 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -65.5 | -41.8 | 174.4 | -77.5 | 173.3 | 176.2 | 168.7 | 0 | 111.6 | E33 V34 R39 G40 G41 | E33-K37 WeakPolarHBondContact O-CB 3.25Å; E33-K37 WeakPolarHBondContact O-CG 3.31Å; E33-K37 PolarHBondContact O-N 2.89Å; V34-K37 PolarHBondContact O-N 3.29Å; K37-R39 VanDerWaalsContact C-N 3.29Å; K37-R39 PolarHBondContact O-N 3.2Å; K37-G40 PolarHBondContact O-N 3.4Å; K37-G41 PolarHBondContact O-N 3.04Å |
| 38 | S | 62.8 | Low | 73.4 | Confident | 95 Ų | 95 | 116 Ų | 116 | 66% | 0.664 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -68.2 | -25.4 | 174.5 | 66.7 | 0 | 0 | 0 | 0 | 113.8 | V34 K35 | V34-S38 PolarHBondContact O-N 3.39Å; V34-S38 PolarHBondContact O-OG 3.31Å; K35-S38 PolarHBondContact O-OG 3Å |
| 39 | R | 59 | Low | 73.8 | Confident | 206 Ų | 206 | 111.3 Ų | 111.3 | 78% | 0.777 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -89.8 | -13.5 | 172.3 | -67.7 | 175.8 | 76.4 | 94.6 | 0.2 | 114.1 | K35 K36 K37 | K35-R39 WeakPolarHBondContact O-CB 3.4Å; K35-R39 WeakPolarHBondContact O-CD 3.47Å; K35-R39 WeakPolarHBondContact O-CG 3.35Å; K35-R39 PolarHBondContact O-N 3.45Å; K36-R39 CarbonylContact O-C 3.54Å; K36-R39 PolarHBondContact O-N 2.87Å; K37-R39 VanDerWaalsContact C-N 3.29Å; K37-R39 PolarHBondContact O-N 3.2Å |
| 40 | G | 47.5 | Very low | 74.1 | Confident | 60 Ų | 60 | 105.5 Ų | 105.5 | 62% | 0.619 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -113.2 | -12 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | K36 K37 K42 | K36-G40 WeakPolarHBondContact O-CA 3.41Å; K36-G40 PolarHBondContact O-N 2.82Å; K37-G40 PolarHBondContact O-N 3.4Å; G40-K42 PolarHBondContact O-N 3.37Å |
| 41 | G | 52 | Low | 74.5 | Confident | 50 Ų | 50 | 99.8 Ų | 99.8 | 52% | 0.515 | 54% | 0.535 | S | S | . | . | S | Bend | trans | -56.4 | 132 | 158 | 0 | 0 | 0 | 0 | 0 | 108.5 | K37 G43 | K37-G41 PolarHBondContact O-N 3.04Å; G41-G43 VanDerWaalsContact C-N 3.33Å; G41-G43 PolarHBondContact O-N 3.11Å |
| 42 | K | 51.3 | Low | 75 | Confident | 212 Ų | 212 | 99.3 Ų | 99.3 | 92% | 0.922 | 53% | 0.526 | S | S | * | . | trans | -54.6 | 103.3 | 168.1 | -72.6 | 174.7 | 178.3 | 174.4 | 0 | 106.5 | G40 S44 | G40-K42 PolarHBondContact O-N 3.37Å; K42-S44 PolarHBondContact O-N 2.82Å; K42-S44 VanDerWaalsContact O-N 3.11Å | ||
| 43 | G | 55.1 | Low | 75.5 | Confident | 64 Ų | 64 | 94 Ų | 94 | 66% | 0.66 | 50% | 0.501 | S | S | * | . | trans | -53.5 | 125 | 177.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | G41 R45 | G41-G43 VanDerWaalsContact C-N 3.33Å; G41-G43 PolarHBondContact O-N 3.11Å; G43-R45 PolarHBondContact O-N 2.72Å; G43-R45 VanDerWaalsContact O-N 3.16Å | ||
| 44 | S | 59.5 | Low | 76.1 | Confident | 98 Ų | 98 | 88.7 Ų | 88.7 | 69% | 0.685 | 48% | 0.477 | S | S | * | . | trans | -46 | 127.3 | 155.1 | 39.9 | 0 | 0 | 0 | 0 | 105.4 | K42 V46 | K42-S44 PolarHBondContact O-N 2.82Å; K42-S44 VanDerWaalsContact O-N 3.11Å; S44-V46 VanDerWaalsContact O-CG2 3.25Å; S44-V46 WeakPolarHBondContact O-CG2 3.1Å; S44-V46 PolarHBondContact O-N 3.16Å | ||
| 45 | R | 62.6 | Low | 76.7 | Confident | 239 Ų | 239 | 88.5 Ų | 88.5 | 90% | 0.902 | 47% | 0.469 | S | S | * | . | trans | -66.4 | 93.2 | -178.9 | -74.8 | -177.7 | 178.3 | 171.6 | -0.9 | 106.3 | G43 T47 | G43-R45 PolarHBondContact O-N 2.72Å; G43-R45 VanDerWaalsContact O-N 3.16Å; R45-T47 PolarHBondContact O-N 2.74Å | ||
| 46 | V | 79.4 | Confident | 77.4 | Confident | 79 Ų | 79 | 82.1 Ų | 82.1 | 48% | 0.479 | 44% | 0.441 | S | S | . | . | trans | -65.6 | 106.9 | -173.7 | -165.6 | 0 | 0 | 0 | 0 | 106.4 | S44 E98 S99 | S44-V46 VanDerWaalsContact O-CG2 3.25Å; S44-V46 WeakPolarHBondContact O-CG2 3.1Å; S44-V46 PolarHBondContact O-N 3.16Å; V46-E98 WeakPolarHBondContact CG1-O 3.16Å; V46-S99 VanDerWaalsContact CG1-CB 3.49Å | ||
| 47 | T | 90.3 | Very high | 78.4 | Confident | 84 Ų | 84 | 76.6 Ų | 76.6 | 52% | 0.515 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -76.7 | 126.9 | 177.9 | 45.1 | 0 | 0 | 0 | 0 | 107.8 | R45 G49 D100 | R45-T47 PolarHBondContact O-N 2.74Å; T47-G49 PolarHBondContact O-N 2.94Å; T47-D100 WeakPolarHBondContact O-CB 3.12Å; T47-D100 PolarHBondContact O-N 3.23Å |
| 48 | P | 93 | Very high | 79.5 | Confident | 72 Ų | 72 | 75.4 Ų | 75.4 | 47% | 0.468 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 132.6 | 176.8 | 27.8 | -33.7 | 0 | 0 | 0 | 109.8 | L76 E96 F97 | P48-L76 HydrophobicContact CB-CD1 4.26Å; P48-E96 HydrophobicContact CB-CG 4.08Å; P48-F97 WeakPolarHBondContact CA-O 3.35Å |
| 49 | G | 95 | Very high | 80.7 | Confident | 2 Ų | 2 | 73.5 Ų | 73.5 | 2% | 0.021 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 134.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | T47 E96 F97 | T47-G49 PolarHBondContact O-N 2.94Å; G49-E96 WeakPolarHBondContact O-CA 3.32Å; G49-F97 PolarHBondContact N-O 2.97Å; G49-F97 PolarHBondContact O-N 3.14Å |
| 50 | V | 97 | Very high | 82.3 | Confident | 10 Ų | 10 | 65.8 Ų | 65.8 | 6% | 0.061 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 125 | 175.8 | 178.5 | 0 | 0 | 0 | 0 | 110 | I95 E96 L125 V130 F135 | V50-I95 CarbonylContact C-O 3.53Å; V50-I95 WeakPolarHBondContact CA-O 3.17Å; V50-E96 HydrophobicContact CG2-CB 4.2Å; V50-E96 HydrophobicContact CG2-CG 4.18Å; V50-L125 HydrophobicContact CB-CB 4.4Å; V50-L125 HydrophobicContact CG1-CB 4.27Å; V50-L125 PolarHBondContact O-N 3.11Å; V50-V130 HydrophobicContact CB-CG2 3.87Å; V50-V130 HydrophobicContact CG1-CG2 4.09Å; V50-V130 HydrophobicContact CG2-CG1 4.18Å; V50-V130 HydrophobicContact CG2-CG2 3.97Å; V50-F135 HydrophobicContact CG1-CE2 4.35Å; V50-F135 HydrophobicContact CG1-CZ 4.01Å; V50-F135 HydrophobicContact CG2-CE2 4.06Å; V50-F135 HydrophobicContact CG2-CZ 4.19Å |
| 51 | V | 97.6 | Very high | 84.5 | Confident | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 131.1 | 174.9 | -175.8 | 0 | 0 | 0 | 0 | 109.4 | V53 F94 I95 F97 A103 V106 | V51-V53 HydrophobicContact CG1-CG2 4.02Å; V51-F94 WeakPolarHBondContact O-CA 3.4Å; V51-I95 PolarHBondContact N-O 2.93Å; V51-I95 PolarHBondContact O-N 3.36Å; V51-F97 HydrophobicContact CB-CE2 4.32Å; V51-F97 HydrophobicContact CG2-CD2 3.92Å; V51-F97 HydrophobicContact CG2-CE2 3.83Å; V51-A103 HydrophobicContact CG2-CB 3.55Å; V51-A103 WeakPolarHBondContact CG2-O 3.25Å; V51-V106 HydrophobicContact CG1-CG1 4.33Å |
| 52 | Y | 97.8 | Very high | 86.5 | Confident | 59 Ų | 59 | 66.2 Ų | 66.2 | 23% | 0.231 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 130.4 | 162.9 | 167.5 | -98.7 | 0 | 0 | 0 | 109.6 | F92 F94 C122 E123 L125 | Y52-F92 HydrophobicContact CD2-CD2 4.48Å; Y52-F92 HydrophobicContact CE2-CB 3.69Å; Y52-F92 AromaticContact CE2-CD2 3.77Å; Y52-F92 HydrophobicContact CE2-CD2 3.77Å; Y52-F92 AromaticContact CE2-CG 3.98Å; Y52-F92 HydrophobicContact CE2-CG 3.98Å; Y52-F94 HydrophobicContact CD2-CD1 4.17Å; Y52-F94 AromaticContact CD2-CE1 3.64Å; Y52-F94 HydrophobicContact CD2-CE1 3.64Å; Y52-F94 HydrophobicContact CD2-CZ 4.01Å; Y52-F94 HydrophobicContact CG-CE1 4.39Å; Y52-C122 WeakPolarHBondContact O-CA 3.29Å; Y52-E123 HydrophobicContact CD1-CB 4.47Å; Y52-E123 PolarHBondContact N-O 3.3Å; Y52-E123 PolarHBondContact O-N 3.27Å; Y52-L125 HydrophobicContact CG-CD1 4.49Å |
| 53 | V | 97.4 | Very high | 88.6 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.006 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 108.6 | 176.6 | -175.5 | 0 | 0 | 0 | 0 | 108.4 | V51 L56 F69 F92 A93 I95 K121 | V51-V53 HydrophobicContact CG1-CG2 4.02Å; V53-L56 HydrophobicContact CG1-CD1 4.23Å; V53-L56 HydrophobicContact CG1-CD2 3.75Å; V53-L56 HydrophobicContact CG1-CG 4.05Å; V53-F69 HydrophobicContact CG1-CE2 4.46Å; V53-F69 HydrophobicContact CG1-CZ 4.15Å; V53-F69 HydrophobicContact CG2-CE2 4.4Å; V53-F69 HydrophobicContact CG2-CZ 3.99Å; V53-F92 CarbonylContact O-C 3.55Å; V53-F92 WeakPolarHBondContact O-CA 3.47Å; V53-A93 PolarHBondContact N-O 3.09Å; V53-A93 PolarHBondContact O-N 3.26Å; V53-I95 HydrophobicContact CG2-CD1 3.97Å; V53-I95 HydrophobicContact CG2-CG1 4.36Å; V53-K121 CarbonylContact C-O 3.55Å; V53-K121 WeakPolarHBondContact CA-O 3.41Å |
| 54 | G | 96.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 170.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | L56 G91 I120 K121 | G54-L56 PolarHBondContact O-N 3.15Å; G54-G91 CarbonylContact C-O 3.49Å; G54-I120 WeakPolarHBondContact O-CA 3.17Å; G54-K121 PolarHBondContact N-O 3.4Å; G54-K121 PolarHBondContact O-N 3.26Å; G54-K121 VanDerWaalsContact O-N 3.11Å |
| 55 | H | 96 | Very high | 92.1 | Very high | 97 Ų | 97 | 56.6 Ų | 56.6 | 45% | 0.449 | 30% | 0.298 | S | S | . | . | S | Bend | trans | 59.5 | 23.2 | -179.5 | -54.2 | 167.7 | 0 | 0 | 0 | 115.7 | G91 R118 L119 | H55-G91 CarbonylContact C-O 3.59Å; H55-G91 WeakPolarHBondContact CA-O 3.43Å; H55-G91 PolarHBondContact N-O 3.4Å; H55-R118 WeakPolarHBondContact O-CB 3.21Å; H55-R118 WeakPolarHBondContact O-CD 3.05Å; H55-L119 VanDerWaalsContact CB-O 3.3Å; H55-L119 WeakPolarHBondContact CB-O 3.23Å; H55-L119 PolarHBondContact ND1-O 3.16Å |
| 56 | L | 95.9 | Very high | 93.7 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | trans | -57.8 | 138.8 | 177.5 | -67.7 | 170.6 | 0 | 0 | 0 | 111.8 | V53 G54 L60 L65 L80 G91 A93 R118 I120 | V53-L56 HydrophobicContact CG1-CD1 4.23Å; V53-L56 HydrophobicContact CG1-CD2 3.75Å; V53-L56 HydrophobicContact CG1-CG 4.05Å; G54-L56 PolarHBondContact O-N 3.15Å; L56-L60 HydrophobicContact CD2-CD1 4.4Å; L56-L65 HydrophobicContact CD1-CD1 3.91Å; L56-L65 HydrophobicContact CD1-CD2 3.97Å; L56-L65 HydrophobicContact CD2-CD2 3.78Å; L56-L80 HydrophobicContact CD1-CD1 4.01Å; L56-G91 PolarHBondContact N-O 3.01Å; L56-G91 WeakPolarHBondContact O-CA 3.35Å; L56-A93 HydrophobicContact CD1-CB 3.82Å; L56-R118 PolarHBondContact O-NH1 2.83Å; L56-R118 VanDerWaalsContact O-NH1 3.17Å; L56-I120 HydrophobicContact CD2-CG2 4.15Å | ||
| 57 | P | 93.6 | Very high | 94.5 | Very high | 29 Ų | 29 | 50.2 Ų | 50.2 | 19% | 0.188 | 28% | 0.278 | C | S | . | . | trans | -65.5 | 151.1 | 171.8 | 27.5 | -35.7 | 0 | 0 | 0 | 111.5 | G59 L60 M115 | P57-G59 PolarHBondContact O-N 3.22Å; P57-G59 VanDerWaalsContact O-N 3.09Å; P57-L60 HydrophobicContact CG-CB 4.4Å; P57-L60 HydrophobicContact CG-CD1 3.69Å; P57-L60 HydrophobicContact CG-CG 3.91Å; P57-L60 PolarHBondContact O-N 3.09Å; P57-L60 VanDerWaalsContact O-N 3.16Å; P57-M115 HydrophobicContact CG-CB 4.47Å | ||
| 58 | L | 89.3 | Confident | 94.7 | Very high | 125 Ų | 125 | 49.5 Ų | 49.5 | 65% | 0.654 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -19.4 | -166.7 | -78.3 | 72.3 | 0 | 0 | 0 | 114.3 | S89 | L58-S89 PolarHBondContact O-OG 2.91Š|
| 59 | G | 88.8 | Confident | 94.9 | Very high | 55 Ų | 55 | 46 Ų | 46 | 57% | 0.567 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -10.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 116 | P57 F61 | P57-G59 PolarHBondContact O-N 3.22Å; P57-G59 VanDerWaalsContact O-N 3.09Å; G59-F61 WeakPolarHBondContact O-CD2 3.5Å; G59-F61 PolarHBondContact O-N 3.47Å |
| 60 | L | 92.4 | Very high | 94.9 | Very high | 45 Ų | 45 | 50.7 Ų | 50.7 | 24% | 0.236 | 27% | 0.265 | C | S | . | . | trans | -83.1 | 113.5 | 176 | -76.8 | -179.1 | 0 | 0 | 0 | 110.6 | L56 P57 Q64 L65 M115 | L56-L60 HydrophobicContact CD2-CD1 4.4Å; P57-L60 HydrophobicContact CG-CB 4.4Å; P57-L60 HydrophobicContact CG-CD1 3.69Å; P57-L60 HydrophobicContact CG-CG 3.91Å; P57-L60 PolarHBondContact O-N 3.09Å; P57-L60 VanDerWaalsContact O-N 3.16Å; L60-Q64 HydrophobicContact CD2-CB 3.8Å; L60-Q64 HydrophobicContact CD2-CG 4.42Å; L60-L65 HydrophobicContact CB-CD2 4.33Å; L60-L65 HydrophobicContact CB-CG 4.44Å; L60-L65 HydrophobicContact CD1-CD2 4.4Å; L60-M115 HydrophobicContact CD1-SD 3.92Å | ||
| 61 | F | 93.9 | Very high | 94.9 | Very high | 73 Ų | 73 | 57 Ų | 57 | 32% | 0.32 | 29% | 0.294 | S | S | . | . | trans | -108.4 | 175.7 | 177.6 | -57.3 | -61.1 | 0 | 0 | 0 | 112 | G59 P63 Q64 L65 L80 | G59-F61 WeakPolarHBondContact O-CD2 3.5Å; G59-F61 PolarHBondContact O-N 3.47Å; F61-P63 VanDerWaalsContact C-CD 3.44Å; F61-Q64 PolarHBondContact O-N 3.38Å; F61-Q64 PolarHBondContact O-OE1 3.33Å; F61-L65 WeakPolarHBondContact O-CG 3.12Å; F61-L65 PolarHBondContact O-N 3.24Å; F61-L80 HydrophobicContact CD1-CD2 3.95Å | ||
| 62 | E | 94 | Very high | 94.8 | Very high | 45 Ų | 45 | 60.2 Ų | 60.2 | 21% | 0.21 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -48.2 | -44.9 | -177.8 | -59.4 | 86.2 | 164.4 | 0 | 0 | 114.6 | R66 L78 L80 R82 | E62-R66 WeakPolarHBondContact O-CB 3.48Å; E62-R66 PolarHBondContact O-N 2.86Å; E62-L78 HydrophobicContact CB-CD2 3.75Å; E62-L78 HydrophobicContact CG-CD2 3.88Å; E62-L80 HydrophobicContact CG-CB 3.77Å; E62-R82 IonicContact OE1-CZ 2.76Å; E62-R82 IonicContact OE1-NE 3.04Å; E62-R82 PolarHBondContact OE1-NE 3.04Å; E62-R82 IonicContact OE1-NH2 3.18Å; E62-R82 PolarHBondContact OE1-NH2 2.89Å; E62-R82 IonicContact OE2-CZ 3.43Å; E62-R82 IonicContact OE2-NE 2.78Å; E62-R82 IonicContact OE2-NH2 3.24Å; E62-R82 PolarHBondContact OE2-NH2 3.27Å |
| 63 | P | 94.1 | Very high | 94.6 | Very high | 81 Ų | 81 | 58.4 Ų | 58.4 | 53% | 0.526 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -71.6 | -36.7 | -179.5 | 26.4 | -32.1 | 0 | 0 | 0 | 113.3 | F61 R66 S67 | F61-P63 VanDerWaalsContact C-CD 3.44Å; P63-R66 PolarHBondContact O-N 3.34Å; P63-S67 WeakPolarHBondContact O-CB 3.38Å; P63-S67 PolarHBondContact O-N 3.07Å |
| 64 | Q | 94.1 | Very high | 94.6 | Very high | 89 Ų | 89 | 62 Ų | 62 | 42% | 0.416 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -67.1 | -45.3 | 175.6 | -64.7 | 79.7 | 10.8 | 0 | 0 | 110.7 | L60 F61 R66 S67 Y68 | L60-Q64 HydrophobicContact CD2-CB 3.8Å; L60-Q64 HydrophobicContact CD2-CG 4.42Å; F61-Q64 PolarHBondContact O-N 3.38Å; F61-Q64 PolarHBondContact O-OE1 3.33Å; Q64-R66 VanDerWaalsContact C-N 3.33Å; Q64-R66 PolarHBondContact O-N 2.66Å; Q64-S67 PolarHBondContact O-N 2.87Å; Q64-Y68 WeakPolarHBondContact O-CB 3.48Å; Q64-Y68 PolarHBondContact O-N 3.49Å |
| 65 | L | 95.1 | Very high | 94.5 | Very high | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.01 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.2 | -43.9 | 176.3 | -67.3 | 165.6 | 0 | 0 | 0 | 110.9 | L56 L60 F61 Y68 F69 L78 L80 A93 | L56-L65 HydrophobicContact CD1-CD1 3.91Å; L56-L65 HydrophobicContact CD1-CD2 3.97Å; L56-L65 HydrophobicContact CD2-CD2 3.78Å; L60-L65 HydrophobicContact CB-CD2 4.33Å; L60-L65 HydrophobicContact CB-CG 4.44Å; L60-L65 HydrophobicContact CD1-CD2 4.4Å; F61-L65 WeakPolarHBondContact O-CG 3.12Å; F61-L65 PolarHBondContact O-N 3.24Å; L65-Y68 PolarHBondContact O-N 2.62Å; L65-F69 HydrophobicContact CD2-CE2 4.07Å; L65-F69 VanDerWaalsContact O-CD2 3.28Å; L65-F69 WeakPolarHBondContact O-CD2 3.29Å; L65-F69 PolarHBondContact O-N 3.04Å; L65-L78 HydrophobicContact CB-CD1 3.86Å; L65-L80 HydrophobicContact CD1-CD1 4.02Å; L65-A93 HydrophobicContact CD1-CB 4.21Å |
| 66 | R | 95.7 | Very high | 94.5 | Very high | 104 Ų | 104 | 61.3 Ų | 61.3 | 39% | 0.392 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.1 | -52.6 | 177.4 | -164 | 171.7 | -158.6 | -95.3 | -0.6 | 111.2 | E62 P63 Q64 Y68 F69 E70 V75 L78 | E62-R66 WeakPolarHBondContact O-CB 3.48Å; E62-R66 PolarHBondContact O-N 2.86Å; P63-R66 PolarHBondContact O-N 3.34Å; Q64-R66 VanDerWaalsContact C-N 3.33Å; Q64-R66 PolarHBondContact O-N 2.66Å; R66-Y68 PolarHBondContact O-N 3.2Å; R66-F69 PolarHBondContact O-N 3.33Å; R66-E70 IonicContact NH1-OE1 2.62Å; R66-E70 WeakPolarHBondContact O-CB 3.33Å; R66-E70 PolarHBondContact O-N 2.93Å; R66-V75 HydrophobicContact CG-CG1 4.47Å; R66-V75 PolarHBondContact NH2-O 3.45Å; R66-L78 HydrophobicContact CB-CD1 4.18Å |
| 67 | S | 95.9 | Very high | 94.4 | Very high | 80 Ų | 80 | 65.2 Ų | 65.2 | 56% | 0.559 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -61.7 | -27.6 | 179.7 | -176.1 | 0 | 0 | 0 | 0 | 114 | P63 Q64 | P63-S67 WeakPolarHBondContact O-CB 3.38Å; P63-S67 PolarHBondContact O-N 3.07Å; Q64-S67 PolarHBondContact O-N 2.87Å |
| 68 | Y | 95.6 | Very high | 94.6 | Very high | 69 Ų | 69 | 64.5 Ų | 64.5 | 27% | 0.271 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -78 | -52.2 | 175.9 | -173.7 | -87.1 | 0 | 0 | 0 | 111.3 | Q64 L65 R66 E70 Q71 F72 M110 M115 | Q64-Y68 WeakPolarHBondContact O-CB 3.48Å; Q64-Y68 PolarHBondContact O-N 3.49Å; L65-Y68 PolarHBondContact O-N 2.62Å; R66-Y68 PolarHBondContact O-N 3.2Å; Y68-E70 VanDerWaalsContact C-N 3.31Å; Y68-E70 PolarHBondContact O-N 3.48Å; Y68-Q71 WeakPolarHBondContact O-CB 3.33Å; Y68-Q71 VanDerWaalsContact O-CG 3.29Å; Y68-Q71 WeakPolarHBondContact O-CG 3.46Å; Y68-Q71 PolarHBondContact O-N 2.97Å; Y68-F72 HydrophobicContact CD1-CE2 4.33Å; Y68-F72 AromaticContact CE1-CE2 3.89Å; Y68-F72 HydrophobicContact CE1-CE2 3.89Å; Y68-F72 HydrophobicContact CE1-CZ 4.41Å; Y68-M110 HydrophobicContact CE1-CE 3.54Å; Y68-M110 HydrophobicContact CE1-SD 4.23Å; Y68-M110 WeakPolarHBondContact OH-CE 3.33Å; Y68-M115 HydrophobicContact CD1-CE 4.07Å; Y68-M115 HydrophobicContact CE1-CE 3.53Å; Y68-M115 HydrophobicContact CE2-CE 4.17Å |
| 69 | F | 96.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -74 | -20.1 | -176 | -76.5 | -74.1 | 0 | 0 | 0 | 113.9 | V53 L65 R66 Q71 F72 V75 I95 F97 V106 M110 | V53-F69 HydrophobicContact CG1-CE2 4.46Å; V53-F69 HydrophobicContact CG1-CZ 4.15Å; V53-F69 HydrophobicContact CG2-CE2 4.4Å; V53-F69 HydrophobicContact CG2-CZ 3.99Å; L65-F69 HydrophobicContact CD2-CE2 4.07Å; L65-F69 VanDerWaalsContact O-CD2 3.28Å; L65-F69 WeakPolarHBondContact O-CD2 3.29Å; L65-F69 PolarHBondContact O-N 3.04Å; R66-F69 PolarHBondContact O-N 3.33Å; F69-Q71 PolarHBondContact O-N 3.22Å; F69-Q71 VanDerWaalsContact O-N 3.15Å; F69-F72 HydrophobicContact CD1-CD2 4.14Å; F69-F72 HydrophobicContact CD1-CE2 4.25Å; F69-F72 PolarHBondContact O-N 3.32Å; F69-F72 VanDerWaalsContact O-N 3.09Å; F69-V75 HydrophobicContact CB-CG2 4.19Å; F69-I95 HydrophobicContact CB-CD1 4.11Å; F69-I95 HydrophobicContact CD1-CD1 4.17Å; F69-I95 HydrophobicContact CD2-CD1 3.2Å; F69-I95 HydrophobicContact CE1-CD1 4.44Å; F69-I95 HydrophobicContact CE2-CD1 3.56Å; F69-I95 HydrophobicContact CG-CD1 3.55Å; F69-I95 HydrophobicContact CZ-CD1 4.17Å; F69-F97 HydrophobicContact CB-CE1 4.33Å; F69-F97 HydrophobicContact CB-CZ 4Å; F69-F97 HydrophobicContact CD1-CZ 4.07Å; F69-F97 HydrophobicContact CG-CZ 4.38Å; F69-V106 HydrophobicContact CD1-CG1 3.93Å; F69-V106 HydrophobicContact CE1-CG1 3.7Å; F69-M110 HydrophobicContact CE1-CG 4.22Å |
| 70 | E | 96.4 | Very high | 95.2 | Very high | 99 Ų | 99 | 60.9 Ų | 60.9 | 46% | 0.463 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -14.5 | 171.8 | -172 | 158.1 | -149 | 0 | 0 | 113.1 | R66 Y68 G73 | R66-E70 IonicContact NH1-OE1 2.62Å; R66-E70 WeakPolarHBondContact O-CB 3.33Å; R66-E70 PolarHBondContact O-N 2.93Å; Y68-E70 VanDerWaalsContact C-N 3.31Å; Y68-E70 PolarHBondContact O-N 3.48Å; E70-G73 WeakPolarHBondContact CA-O 3.43Å |
| 71 | Q | 95.9 | Very high | 95.3 | Very high | 143 Ų | 143 | 59.8 Ų | 59.8 | 67% | 0.668 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -27.5 | 172 | -60.9 | 177.5 | 12.1 | 0 | 0 | 113.5 | Y68 F69 | Y68-Q71 WeakPolarHBondContact O-CB 3.33Å; Y68-Q71 VanDerWaalsContact O-CG 3.29Å; Y68-Q71 WeakPolarHBondContact O-CG 3.46Å; Y68-Q71 PolarHBondContact O-N 2.97Å; F69-Q71 PolarHBondContact O-N 3.22Å; F69-Q71 VanDerWaalsContact O-N 3.15Å |
| 72 | F | 95.3 | Very high | 95.4 | Very high | 68 Ų | 68 | 58.4 Ų | 58.4 | 30% | 0.298 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -25.4 | 179.1 | -58.4 | -91.7 | 0 | 0 | 0 | 112.4 | Y68 F69 V102 V106 M110 | Y68-F72 HydrophobicContact CD1-CE2 4.33Å; Y68-F72 AromaticContact CE1-CE2 3.89Å; Y68-F72 HydrophobicContact CE1-CE2 3.89Å; Y68-F72 HydrophobicContact CE1-CZ 4.41Å; F69-F72 HydrophobicContact CD1-CD2 4.14Å; F69-F72 HydrophobicContact CD1-CE2 4.25Å; F69-F72 PolarHBondContact O-N 3.32Å; F69-F72 VanDerWaalsContact O-N 3.09Å; F72-V102 HydrophobicContact CB-CG1 4.14Å; F72-V102 WeakPolarHBondContact O-CG1 3.43Å; F72-V106 HydrophobicContact CB-CG2 3.52Å; F72-V106 HydrophobicContact CD1-CG2 3.87Å; F72-V106 HydrophobicContact CD2-CG2 4.17Å; F72-V106 HydrophobicContact CG-CG2 3.59Å; F72-M110 HydrophobicContact CE1-CG 4.49Å; F72-M110 HydrophobicContact CE1-SD 4.21Å; F72-M110 HydrophobicContact CE2-SD 4.15Å; F72-M110 HydrophobicContact CZ-CG 4.05Å; F72-M110 HydrophobicContact CZ-SD 3.46Å; F72-M110 WeakPolarHBondContact CZ-SD 3.48Å |
| 73 | G | 94.9 | Very high | 95.4 | Very high | 21 Ų | 21 | 58.2 Ų | 58.2 | 22% | 0.216 | 29% | 0.291 | C | S | . | . | S | Bend | trans | 162.8 | 178.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | E70 V75 | E70-G73 WeakPolarHBondContact CA-O 3.43Å; G73-V75 PolarHBondContact O-N 3.38Å |
| 74 | T | 95.9 | Very high | 95.2 | Very high | 76 Ų | 76 | 64 Ų | 64 | 47% | 0.466 | 31% | 0.308 | S | S | . | . | trans | -61.4 | 118.3 | -176.9 | -38 | 0 | 0 | 0 | 0 | 112.2 | F97 E98 | T74-F97 WeakPolarHBondContact O-CA 3.46Å; T74-E98 WeakPolarHBondContact CB-OE2 3.39Å; T74-E98 PolarHBondContact O-N 3.45Å; T74-E98 PolarHBondContact OG1-OE2 3.24Å | ||
| 75 | V | 96.4 | Very high | 95 | Very high | 1 Ų | 1 | 68.2 Ų | 68.2 | 1% | 0.006 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 107.5 | 174.7 | 177.9 | 0 | 0 | 0 | 0 | 110.5 | R66 F69 G73 L78 I95 F97 | R66-V75 HydrophobicContact CG-CG1 4.47Å; R66-V75 PolarHBondContact NH2-O 3.45Å; F69-V75 HydrophobicContact CB-CG2 4.19Å; G73-V75 PolarHBondContact O-N 3.38Å; V75-L78 HydrophobicContact CG1-CB 4.12Å; V75-L78 HydrophobicContact CG1-CD1 4.47Å; V75-I95 HydrophobicContact CG1-CG2 3.73Å; V75-I95 HydrophobicContact CG2-CG2 4.11Å; V75-F97 HydrophobicContact CG2-CD1 4.1Å; V75-F97 HydrophobicContact CG2-CE1 3.72Å; V75-F97 HydrophobicContact CG2-CZ 4.43Å |
| 76 | L | 94.6 | Very high | 94.8 | Very high | 81 Ų | 81 | 72.1 Ų | 72.1 | 42% | 0.424 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | -56.8 | 179.4 | -65.7 | -179.6 | 0 | 0 | 0 | 111.8 | P48 E96 E98 | P48-L76 HydrophobicContact CB-CD1 4.26Å; L76-E96 HydrophobicContact CB-CG 4.29Å; L76-E96 HydrophobicContact CD1-CG 4.36Å; L76-E96 PolarHBondContact N-O 2.9Å; L76-E98 HydrophobicContact CD1-CB 4.39Å; L76-E98 HydrophobicContact CD2-CB 4.37Å; L76-E98 HydrophobicContact CG-CB 4.22Å |
| 77 | R | 95.3 | Very high | 94.7 | Very high | 83 Ų | 83 | 67.2 Ų | 67.2 | 31% | 0.313 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 140.2 | -178.8 | -58 | -175.6 | -60.3 | -175.8 | -3.8 | 109.8 | E96 F135 | R77-E96 HydrophobicContact CB-CB 4.18Å; R77-E96 WeakPolarHBondContact CD-OE2 3.42Å; R77-E96 VanDerWaalsContact CG-OE2 3.29Å; R77-E96 WeakPolarHBondContact CG-OE2 3.36Å; R77-E96 IonicContact CZ-OE1 3.77Å; R77-E96 IonicContact CZ-OE2 3.46Å; R77-E96 PolarHBondContact N-O 3.4Å; R77-E96 IonicContact NE-OE1 2.87Å; R77-E96 IonicContact NE-OE2 2.66Å; R77-E96 PolarHBondContact NE-OE2 3.15Å; R77-E96 IonicContact NH2-OE1 2.69Å; R77-E96 PolarHBondContact NH2-OE1 3.07Å; R77-E96 IonicContact NH2-OE2 3.55Å; R77-E96 PolarHBondContact NH2-OE2 2.66Å; R77-E96 PolarHBondContact O-N 3.08Å; R77-F135 HydrophobicContact CB-CB 4.21Å; R77-F135 HydrophobicContact CB-CD1 3.44Å; R77-F135 VanDerWaalsContact CB-CD1 3.44Å; R77-F135 HydrophobicContact CB-CE1 3.87Å; R77-F135 HydrophobicContact CB-CG 3.9Å; R77-F135 HydrophobicContact CG-CB 4.5Å |
| 78 | L | 96.1 | Very high | 94.6 | Very high | 14 Ų | 14 | 65 Ų | 65 | 7% | 0.073 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 133.9 | 176.2 | -175.2 | 148.6 | 0 | 0 | 0 | 109.7 | E62 L65 R66 V75 I95 S138 | E62-L78 HydrophobicContact CB-CD2 3.75Å; E62-L78 HydrophobicContact CG-CD2 3.88Å; L65-L78 HydrophobicContact CB-CD1 3.86Å; R66-L78 HydrophobicContact CB-CD1 4.18Å; V75-L78 HydrophobicContact CG1-CB 4.12Å; V75-L78 HydrophobicContact CG1-CD1 4.47Å; L78-I95 HydrophobicContact CD1-CD1 4.04Å; L78-I95 HydrophobicContact CD1-CG1 4Å; L78-I95 HydrophobicContact CG-CG1 4.19Å; L78-S138 VanDerWaalsContact O-CB 3.32Å; L78-S138 WeakPolarHBondContact O-CB 3.28Å |
| 79 | R | 95.7 | Very high | 94.5 | Very high | 97 Ų | 97 | 62.9 Ų | 62.9 | 37% | 0.366 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 113.7 | 174.9 | -178 | 177.8 | -174.7 | 135.1 | 8.4 | 111.5 | A93 F94 L134 F135 V136 | R79-A93 CarbonylContact O-C 3.56Å; R79-A93 VanDerWaalsContact O-CA 3.25Å; R79-A93 WeakPolarHBondContact O-CA 3.25Å; R79-F94 PolarHBondContact N-O 2.93Å; R79-F94 PolarHBondContact O-N 2.67Å; R79-L134 WeakPolarHBondContact CD-O 3.29Å; R79-L134 PolarHBondContact NE-O 2.91Å; R79-L134 PolarHBondContact NH1-O 3.4Å; R79-F135 HydrophobicContact CB-CD1 4.3Å; R79-V136 PolarHBondContact NH1-O 3.05Å |
| 80 | L | 95.9 | Very high | 94.4 | Very high | 7 Ų | 7 | 69 Ų | 69 | 4% | 0.037 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 133.4 | 164.3 | -174.6 | 67 | 0 | 0 | 0 | 110.1 | L56 F61 E62 L65 A93 | L56-L80 HydrophobicContact CD1-CD1 4.01Å; F61-L80 HydrophobicContact CD1-CD2 3.95Å; E62-L80 HydrophobicContact CG-CB 3.77Å; L65-L80 HydrophobicContact CD1-CD1 4.02Å; L80-A93 HydrophobicContact CD1-CB 4.01Å |
| 81 | S | 95.1 | Very high | 94.3 | Very high | 22 Ų | 22 | 64.5 Ų | 64.5 | 15% | 0.154 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 130.5 | 175.1 | -167.2 | 0 | 0 | 0 | 0 | 110.4 | K90 F92 | S81-K90 PolarHBondContact O-N 3.35Å; S81-F92 VanDerWaalsContact CB-CD2 3.5Å; S81-F92 WeakPolarHBondContact CB-O 3.28Å; S81-F92 PolarHBondContact N-O 2.98Å; S81-F92 VanDerWaalsContact OG-CE2 3.23Å; S81-F92 WeakPolarHBondContact OG-CE2 3.41Å; S81-F92 WeakPolarHBondContact OG-CZ 3.33Å |
| 82 | R | 94.4 | Very high | 94.4 | Very high | 45 Ų | 45 | 60.1 Ų | 60.1 | 17% | 0.17 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 154.1 | -174.8 | -68.6 | 178.2 | 176.5 | -97.9 | 5.9 | 112.1 | E62 G87 G88 F142 | E62-R82 IonicContact OE1-CZ 2.76Å; E62-R82 IonicContact OE1-NE 3.04Å; E62-R82 PolarHBondContact OE1-NE 3.04Å; E62-R82 IonicContact OE1-NH2 3.18Å; E62-R82 PolarHBondContact OE1-NH2 2.89Å; E62-R82 IonicContact OE2-CZ 3.43Å; E62-R82 IonicContact OE2-NE 2.78Å; E62-R82 IonicContact OE2-NH2 3.24Å; E62-R82 PolarHBondContact OE2-NH2 3.27Å; R82-G87 PolarHBondContact NH1-O 2.8Å; R82-G88 CarbonylContact C-O 3.47Å; R82-G88 WeakPolarHBondContact CA-O 3.32Å; R82-G88 WeakPolarHBondContact CB-O 3.38Å; R82-F142 VanDerWaalsContact CZ-CD1 3.42Å |
| 83 | S | 94.3 | Very high | 94.5 | Very high | 40 Ų | 40 | 56.9 Ų | 56.9 | 28% | 0.28 | 29% | 0.288 | S | S | . | . | trans | -71.9 | 125.1 | 173.1 | 174.1 | 0 | 0 | 0 | 0 | 111.1 | K85 G87 G88 | S83-K85 PolarHBondContact O-N 3.29Å; S83-K85 PolarHBondContact OG-N 3.16Å; S83-G87 VanDerWaalsContact O-CA 3.29Å; S83-G87 WeakPolarHBondContact O-CA 3.35Å; S83-G87 PolarHBondContact O-N 2.81Å; S83-G88 PolarHBondContact N-O 2.89Å | ||
| 84 | K | 90.9 | Very high | 94.6 | Very high | 204 Ų | 204 | 57.6 Ų | 57.6 | 89% | 0.887 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -27.2 | 176.1 | -65.1 | -177 | -179.4 | 178.6 | 0 | 113.2 | ||
| 85 | K | 90.6 | Very high | 94.6 | Very high | 176 Ų | 176 | 54 Ų | 54 | 77% | 0.765 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -45.9 | -177.8 | -66.6 | -176.7 | 179.7 | 179.1 | 0 | 112.6 | S83 | S83-K85 PolarHBondContact O-N 3.29Å; S83-K85 PolarHBondContact OG-N 3.16Å |
| 86 | T | 90.6 | Very high | 94.6 | Very high | 85 Ų | 85 | 54.9 Ų | 54.9 | 52% | 0.521 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | -21.2 | -169.2 | -41.1 | 0 | 0 | 0 | 0 | 113.5 | G88 | T86-G88 PolarHBondContact O-N 3.29Š|
| 87 | G | 92 | Very high | 94.7 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | trans | 75.2 | -1.7 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | R82 S83 F142 | R82-G87 PolarHBondContact NH1-O 2.8Å; S83-G87 VanDerWaalsContact O-CA 3.29Å; S83-G87 WeakPolarHBondContact O-CA 3.35Å; S83-G87 PolarHBondContact O-N 2.81Å; G87-F142 WeakPolarHBondContact O-CE1 3.44Å | ||
| 88 | G | 93.6 | Very high | 94.8 | Very high | 33 Ų | 33 | 51.7 Ų | 51.7 | 34% | 0.34 | 25% | 0.253 | S | S | . | . | trans | -64.6 | 153 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | R82 S83 T86 | R82-G88 CarbonylContact C-O 3.47Å; R82-G88 WeakPolarHBondContact CA-O 3.32Å; R82-G88 WeakPolarHBondContact CB-O 3.38Å; S83-G88 PolarHBondContact N-O 2.89Å; T86-G88 PolarHBondContact O-N 3.29Å | ||
| 89 | S | 94.9 | Very high | 94.7 | Very high | 25 Ų | 25 | 52.1 Ų | 52.1 | 18% | 0.175 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 149.2 | 173.4 | 46.4 | 0 | 0 | 0 | 0 | 110.9 | L58 | L58-S89 PolarHBondContact O-OG 2.91Å |
| 90 | K | 94.4 | Very high | 94.6 | Very high | 127 Ų | 127 | 49.3 Ų | 49.3 | 55% | 0.552 | 25% | 0.25 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 3.8 | 171.6 | -67.4 | -164.3 | 179.3 | -172.2 | 0 | 113.1 | S81 F92 | S81-K90 PolarHBondContact O-N 3.35Å; K90-F92 HydrophobicContact CB-CD1 3.75Å; K90-F92 HydrophobicContact CB-CE1 3.56Å; K90-F92 HydrophobicContact CB-CZ 4.48Å; K90-F92 HydrophobicContact CD-CE1 3.77Å; K90-F92 HydrophobicContact CD-CZ 4.15Å; K90-F92 HydrophobicContact CG-CE1 4.35Å |
| 91 | G | 94.4 | Very high | 94.6 | Very high | 6 Ų | 6 | 55.7 Ų | 55.7 | 6% | 0.062 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 73.3 | 20.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | G54 H55 L56 | G54-G91 CarbonylContact C-O 3.49Å; H55-G91 CarbonylContact C-O 3.59Å; H55-G91 WeakPolarHBondContact CA-O 3.43Å; H55-G91 PolarHBondContact N-O 3.4Å; L56-G91 PolarHBondContact N-O 3.01Å; L56-G91 WeakPolarHBondContact O-CA 3.35Å |
| 92 | F | 96.5 | Very high | 94.7 | Very high | 51 Ų | 51 | 56.2 Ų | 56.2 | 22% | 0.224 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 148.4 | 171.1 | 67.2 | -90.1 | 0 | 0 | 0 | 112.9 | Y52 V53 S81 K90 F94 | Y52-F92 HydrophobicContact CD2-CD2 4.48Å; Y52-F92 HydrophobicContact CE2-CB 3.69Å; Y52-F92 AromaticContact CE2-CD2 3.77Å; Y52-F92 HydrophobicContact CE2-CD2 3.77Å; Y52-F92 AromaticContact CE2-CG 3.98Å; Y52-F92 HydrophobicContact CE2-CG 3.98Å; V53-F92 CarbonylContact O-C 3.55Å; V53-F92 WeakPolarHBondContact O-CA 3.47Å; S81-F92 VanDerWaalsContact CB-CD2 3.5Å; S81-F92 WeakPolarHBondContact CB-O 3.28Å; S81-F92 PolarHBondContact N-O 2.98Å; S81-F92 VanDerWaalsContact OG-CE2 3.23Å; S81-F92 WeakPolarHBondContact OG-CE2 3.41Å; S81-F92 WeakPolarHBondContact OG-CZ 3.33Å; K90-F92 HydrophobicContact CB-CD1 3.75Å; K90-F92 HydrophobicContact CB-CE1 3.56Å; K90-F92 HydrophobicContact CB-CZ 4.48Å; K90-F92 HydrophobicContact CD-CE1 3.77Å; K90-F92 HydrophobicContact CD-CZ 4.15Å; K90-F92 HydrophobicContact CG-CE1 4.35Å; F92-F94 HydrophobicContact CD2-CE2 4.01Å; F92-F94 HydrophobicContact CD2-CZ 4.32Å; F92-F94 AromaticContact CE2-CE2 3.88Å; F92-F94 HydrophobicContact CE2-CE2 3.88Å; F92-F94 HydrophobicContact CE2-CZ 4.22Å |
| 93 | A | 97 | Very high | 94.7 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 161.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | V53 L56 L65 R79 L80 | V53-A93 PolarHBondContact N-O 3.09Å; V53-A93 PolarHBondContact O-N 3.26Å; L56-A93 HydrophobicContact CD1-CB 3.82Å; L65-A93 HydrophobicContact CD1-CB 4.21Å; R79-A93 CarbonylContact O-C 3.56Å; R79-A93 VanDerWaalsContact O-CA 3.25Å; R79-A93 WeakPolarHBondContact O-CA 3.25Å; L80-A93 HydrophobicContact CD1-CB 4.01Å |
| 94 | F | 97.3 | Very high | 94.8 | Very high | 35 Ų | 35 | 56.9 Ų | 56.9 | 15% | 0.154 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 134.9 | 167.2 | -58.7 | -85.8 | 0 | 0 | 0 | 108.7 | V51 Y52 R79 F92 L125 L134 F135 | V51-F94 WeakPolarHBondContact O-CA 3.4Å; Y52-F94 HydrophobicContact CD2-CD1 4.17Å; Y52-F94 AromaticContact CD2-CE1 3.64Å; Y52-F94 HydrophobicContact CD2-CE1 3.64Å; Y52-F94 HydrophobicContact CD2-CZ 4.01Å; Y52-F94 HydrophobicContact CG-CE1 4.39Å; R79-F94 PolarHBondContact N-O 2.93Å; R79-F94 PolarHBondContact O-N 2.67Å; F92-F94 HydrophobicContact CD2-CE2 4.01Å; F92-F94 HydrophobicContact CD2-CZ 4.32Å; F92-F94 AromaticContact CE2-CE2 3.88Å; F92-F94 HydrophobicContact CE2-CE2 3.88Å; F92-F94 HydrophobicContact CE2-CZ 4.22Å; F94-L125 HydrophobicContact CD1-CD2 3.99Å; F94-L125 HydrophobicContact CE1-CD2 3.71Å; F94-L134 HydrophobicContact CB-CD2 3.59Å; F94-L134 HydrophobicContact CD1-CD1 3.98Å; F94-L134 HydrophobicContact CD1-CD2 4.47Å; F94-L134 HydrophobicContact CD2-CD1 4.01Å; F94-L134 HydrophobicContact CD2-CD2 3.79Å; F94-L134 HydrophobicContact CD2-CG 4.17Å; F94-L134 HydrophobicContact CE1-CD1 4.08Å; F94-L134 HydrophobicContact CE2-CD1 4.11Å; F94-L134 HydrophobicContact CG-CD1 3.93Å; F94-L134 HydrophobicContact CG-CD2 3.71Å; F94-L134 HydrophobicContact CG-CG 4.32Å; F94-L134 HydrophobicContact CZ-CD1 4.15Å; F94-F135 HydrophobicContact CB-CE1 4.18Å; F94-F135 HydrophobicContact CB-CZ 4.11Å |
| 95 | I | 97.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 127 | -177.4 | -52.1 | -175.5 | 0 | 0 | 0 | 107.2 | V50 V51 V53 F69 V75 L78 F97 | V50-I95 CarbonylContact C-O 3.53Å; V50-I95 WeakPolarHBondContact CA-O 3.17Å; V51-I95 PolarHBondContact N-O 2.93Å; V51-I95 PolarHBondContact O-N 3.36Å; V53-I95 HydrophobicContact CG2-CD1 3.97Å; V53-I95 HydrophobicContact CG2-CG1 4.36Å; F69-I95 HydrophobicContact CB-CD1 4.11Å; F69-I95 HydrophobicContact CD1-CD1 4.17Å; F69-I95 HydrophobicContact CD2-CD1 3.2Å; F69-I95 HydrophobicContact CE1-CD1 4.44Å; F69-I95 HydrophobicContact CE2-CD1 3.56Å; F69-I95 HydrophobicContact CG-CD1 3.55Å; F69-I95 HydrophobicContact CZ-CD1 4.17Å; V75-I95 HydrophobicContact CG1-CG2 3.73Å; V75-I95 HydrophobicContact CG2-CG2 4.11Å; L78-I95 HydrophobicContact CD1-CD1 4.04Å; L78-I95 HydrophobicContact CD1-CG1 4Å; L78-I95 HydrophobicContact CG-CG1 4.19Å; I95-F97 HydrophobicContact CB-CE2 4.23Å; I95-F97 HydrophobicContact CG2-CD2 4.21Å; I95-F97 HydrophobicContact CG2-CE1 4.38Å; I95-F97 HydrophobicContact CG2-CE2 3.72Å; I95-F97 HydrophobicContact CG2-CZ 3.83Å |
| 96 | E | 96.3 | Very high | 95.4 | Very high | 20 Ų | 20 | 43.1 Ų | 43.1 | 9% | 0.093 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 120.1 | 171.8 | -178.2 | -178.7 | -112.2 | 0 | 0 | 109.1 | P48 G49 V50 L76 R77 F135 | P48-E96 HydrophobicContact CB-CG 4.08Å; G49-E96 WeakPolarHBondContact O-CA 3.32Å; V50-E96 HydrophobicContact CG2-CB 4.2Å; V50-E96 HydrophobicContact CG2-CG 4.18Å; L76-E96 HydrophobicContact CB-CG 4.29Å; L76-E96 HydrophobicContact CD1-CG 4.36Å; L76-E96 PolarHBondContact N-O 2.9Å; R77-E96 HydrophobicContact CB-CB 4.18Å; R77-E96 WeakPolarHBondContact CD-OE2 3.42Å; R77-E96 VanDerWaalsContact CG-OE2 3.29Å; R77-E96 WeakPolarHBondContact CG-OE2 3.36Å; R77-E96 IonicContact CZ-OE1 3.77Å; R77-E96 IonicContact CZ-OE2 3.46Å; R77-E96 PolarHBondContact N-O 3.4Å; R77-E96 IonicContact NE-OE1 2.87Å; R77-E96 IonicContact NE-OE2 2.66Å; R77-E96 PolarHBondContact NE-OE2 3.15Å; R77-E96 IonicContact NH2-OE1 2.69Å; R77-E96 PolarHBondContact NH2-OE1 3.07Å; R77-E96 IonicContact NH2-OE2 3.55Å; R77-E96 PolarHBondContact NH2-OE2 2.66Å; R77-E96 PolarHBondContact O-N 3.08Å; E96-F135 HydrophobicContact CB-CE1 4.21Å; E96-F135 HydrophobicContact CB-CE2 4.37Å; E96-F135 HydrophobicContact CB-CZ 3.82Å |
| 97 | F | 97 | Very high | 95.7 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 0% | 0.004 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 154.1 | 172.5 | -68.8 | -81.9 | 0 | 0 | 0 | 110.6 | P48 G49 V51 F69 T74 V75 I95 S99 V102 A103 V106 | P48-F97 WeakPolarHBondContact CA-O 3.35Å; G49-F97 PolarHBondContact N-O 2.97Å; G49-F97 PolarHBondContact O-N 3.14Å; V51-F97 HydrophobicContact CB-CE2 4.32Å; V51-F97 HydrophobicContact CG2-CD2 3.92Å; V51-F97 HydrophobicContact CG2-CE2 3.83Å; F69-F97 HydrophobicContact CB-CE1 4.33Å; F69-F97 HydrophobicContact CB-CZ 4Å; F69-F97 HydrophobicContact CD1-CZ 4.07Å; F69-F97 HydrophobicContact CG-CZ 4.38Å; T74-F97 WeakPolarHBondContact O-CA 3.46Å; V75-F97 HydrophobicContact CG2-CD1 4.1Å; V75-F97 HydrophobicContact CG2-CE1 3.72Å; V75-F97 HydrophobicContact CG2-CZ 4.43Å; I95-F97 HydrophobicContact CB-CE2 4.23Å; I95-F97 HydrophobicContact CG2-CD2 4.21Å; I95-F97 HydrophobicContact CG2-CE1 4.38Å; I95-F97 HydrophobicContact CG2-CE2 3.72Å; I95-F97 HydrophobicContact CG2-CZ 3.83Å; F97-S99 PolarHBondContact O-N 3.44Å; F97-V102 HydrophobicContact CB-CG1 4.42Å; F97-V102 HydrophobicContact CD1-CG1 3.79Å; F97-V102 HydrophobicContact CE1-CG1 4.18Å; F97-V102 HydrophobicContact CG-CG1 4.06Å; F97-A103 HydrophobicContact CD2-CB 4.28Å; F97-V106 HydrophobicContact CE1-CG2 4.46Å; F97-V106 HydrophobicContact CE2-CB 4.32Å; F97-V106 HydrophobicContact CE2-CG1 4.16Å; F97-V106 HydrophobicContact CE2-CG2 4.13Å; F97-V106 HydrophobicContact CZ-CB 4.47Å; F97-V106 HydrophobicContact CZ-CG1 4.26Å; F97-V106 HydrophobicContact CZ-CG2 3.87Å |
| 98 | E | 95.7 | Very high | 95.9 | Very high | 97 Ų | 97 | 47.1 Ų | 47.1 | 45% | 0.453 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -60.2 | -30.3 | 172 | -174.6 | 171.7 | -163.3 | 0 | 0 | 112.4 | V46 T74 L76 | V46-E98 WeakPolarHBondContact CG1-O 3.16Å; T74-E98 WeakPolarHBondContact CB-OE2 3.39Å; T74-E98 PolarHBondContact O-N 3.45Å; T74-E98 PolarHBondContact OG1-OE2 3.24Å; L76-E98 HydrophobicContact CD1-CB 4.39Å; L76-E98 HydrophobicContact CD2-CB 4.37Å; L76-E98 HydrophobicContact CG-CB 4.22Å |
| 99 | S | 94.8 | Very high | 96.1 | Very high | 22 Ų | 22 | 49.2 Ų | 49.2 | 15% | 0.154 | 25% | 0.245 | C | C | . | . | trans | -123.5 | 132.9 | 178.8 | -177.7 | 0 | 0 | 0 | 0 | 114 | V46 F97 E101 V102 A103 | V46-S99 VanDerWaalsContact CG1-CB 3.49Å; F97-S99 PolarHBondContact O-N 3.44Å; S99-E101 VanDerWaalsContact C-N 3.29Å; S99-E101 PolarHBondContact O-N 3.24Å; S99-E101 PolarHBondContact OG-N 3.25Å; S99-V102 WeakPolarHBondContact O-CB 3.02Å; S99-V102 PolarHBondContact O-N 3.01Å; S99-A103 PolarHBondContact O-N 2.87Å; S99-A103 VanDerWaalsContact O-N 3.09Å | ||
| 100 | D | 94.8 | Very high | 96.1 | Very high | 39 Ų | 39 | 48.3 Ų | 48.3 | 21% | 0.209 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.7 | -29.7 | 170.3 | 179.2 | 58.7 | 0 | 0 | 0 | 113.3 | T47 V102 A103 K104 | T47-D100 WeakPolarHBondContact O-CB 3.12Å; T47-D100 PolarHBondContact O-N 3.23Å; D100-V102 VanDerWaalsContact C-N 3.35Å; D100-A103 WeakPolarHBondContact O-CB 3.25Å; D100-A103 PolarHBondContact O-N 2.93Å; D100-K104 WeakPolarHBondContact O-CG 3.4Å; D100-K104 PolarHBondContact O-N 2.73Å; D100-K104 WeakPolarHBondContact OD2-CE 3.46Å; D100-K104 IonicContact OD2-NZ 3.64Å; D100-K104 PolarHBondContact OD2-NZ 2.69Å |
| 101 | E | 94.9 | Very high | 96.2 | Very high | 141 Ų | 141 | 45.2 Ų | 45.2 | 66% | 0.659 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -64.1 | -42.7 | 172.9 | -63.3 | 174 | 178 | 0 | 0 | 110.8 | S99 A103 K104 I105 | S99-E101 VanDerWaalsContact C-N 3.29Å; S99-E101 PolarHBondContact O-N 3.24Å; S99-E101 PolarHBondContact OG-N 3.25Å; E101-A103 VanDerWaalsContact C-N 3.34Å; E101-K104 PolarHBondContact O-N 2.78Å; E101-I105 WeakPolarHBondContact O-CG1 2.81Å; E101-I105 PolarHBondContact O-N 3.34Å; E101-I105 VanDerWaalsContact O-N 3.07Å |
| 102 | V | 96.2 | Very high | 96.3 | Very high | 32 Ų | 32 | 50 Ų | 50 | 19% | 0.194 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.4 | -40.5 | 174.1 | 175.7 | 0 | 0 | 0 | 0 | 110.6 | F72 F97 S99 D100 K104 I105 V106 | F72-V102 HydrophobicContact CB-CG1 4.14Å; F72-V102 WeakPolarHBondContact O-CG1 3.43Å; F97-V102 HydrophobicContact CB-CG1 4.42Å; F97-V102 HydrophobicContact CD1-CG1 3.79Å; F97-V102 HydrophobicContact CE1-CG1 4.18Å; F97-V102 HydrophobicContact CG-CG1 4.06Å; S99-V102 WeakPolarHBondContact O-CB 3.02Å; S99-V102 PolarHBondContact O-N 3.01Å; D100-V102 VanDerWaalsContact C-N 3.35Å; V102-K104 VanDerWaalsContact C-N 3.33Å; V102-K104 PolarHBondContact O-N 3.37Å; V102-I105 PolarHBondContact O-N 2.89Å; V102-V106 HydrophobicContact CG1-CG2 4.2Å; V102-V106 WeakPolarHBondContact O-CB 3.37Å; V102-V106 VanDerWaalsContact O-CG2 3.25Å; V102-V106 WeakPolarHBondContact O-CG2 3.27Å; V102-V106 PolarHBondContact O-N 2.83Å |
| 103 | A | 96.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.7 | -40.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | V51 F97 S99 D100 E101 A107 | V51-A103 HydrophobicContact CG2-CB 3.55Å; V51-A103 WeakPolarHBondContact CG2-O 3.25Å; F97-A103 HydrophobicContact CD2-CB 4.28Å; S99-A103 PolarHBondContact O-N 2.87Å; S99-A103 VanDerWaalsContact O-N 3.09Å; D100-A103 WeakPolarHBondContact O-CB 3.25Å; D100-A103 PolarHBondContact O-N 2.93Å; E101-A103 VanDerWaalsContact C-N 3.34Å; A103-A107 WeakPolarHBondContact O-CB 3.42Å; A103-A107 PolarHBondContact O-N 2.9Å |
| 104 | K | 96.4 | Very high | 96.2 | Very high | 99 Ų | 99 | 58 Ų | 58 | 43% | 0.43 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65.5 | -49.5 | 175.1 | -71.8 | 161.1 | 178.5 | 160.9 | 0 | 112.2 | D100 E101 V102 V106 A107 E108 V124 | D100-K104 WeakPolarHBondContact O-CG 3.4Å; D100-K104 PolarHBondContact O-N 2.73Å; D100-K104 WeakPolarHBondContact OD2-CE 3.46Å; D100-K104 IonicContact OD2-NZ 3.64Å; D100-K104 PolarHBondContact OD2-NZ 2.69Å; E101-K104 PolarHBondContact O-N 2.78Å; V102-K104 VanDerWaalsContact C-N 3.33Å; V102-K104 PolarHBondContact O-N 3.37Å; K104-V106 VanDerWaalsContact C-N 3.29Å; K104-V106 PolarHBondContact O-N 3.1Å; K104-A107 PolarHBondContact O-N 2.81Å; K104-A107 VanDerWaalsContact O-N 3.08Å; K104-E108 PolarHBondContact O-N 2.83Å; K104-V124 HydrophobicContact CG-CG2 4.08Å |
| 105 | I | 96.6 | Very high | 95.9 | Very high | 92 Ų | 92 | 57.2 Ų | 57.2 | 47% | 0.472 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -58 | -43.5 | 177.1 | -65.5 | 163.1 | 0 | 0 | 0 | 110.6 | E101 V102 E108 T109 | E101-I105 WeakPolarHBondContact O-CG1 2.81Å; E101-I105 PolarHBondContact O-N 3.34Å; E101-I105 VanDerWaalsContact O-N 3.07Å; V102-I105 PolarHBondContact O-N 2.89Å; I105-E108 PolarHBondContact O-N 3.2Å; I105-T109 HydrophobicContact CG2-CG2 4.16Å; I105-T109 WeakPolarHBondContact O-CB 3.4Å; I105-T109 WeakPolarHBondContact O-CG2 3.39Å; I105-T109 PolarHBondContact O-N 3.31Å; I105-T109 PolarHBondContact O-OG1 3.2Å |
| 106 | V | 97.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.9 | -42.6 | 175.9 | 170.1 | 0 | 0 | 0 | 0 | 111.3 | V51 F69 F72 F97 V102 K104 M110 | V51-V106 HydrophobicContact CG1-CG1 4.33Å; F69-V106 HydrophobicContact CD1-CG1 3.93Å; F69-V106 HydrophobicContact CE1-CG1 3.7Å; F72-V106 HydrophobicContact CB-CG2 3.52Å; F72-V106 HydrophobicContact CD1-CG2 3.87Å; F72-V106 HydrophobicContact CD2-CG2 4.17Å; F72-V106 HydrophobicContact CG-CG2 3.59Å; F97-V106 HydrophobicContact CE1-CG2 4.46Å; F97-V106 HydrophobicContact CE2-CB 4.32Å; F97-V106 HydrophobicContact CE2-CG1 4.16Å; F97-V106 HydrophobicContact CE2-CG2 4.13Å; F97-V106 HydrophobicContact CZ-CB 4.47Å; F97-V106 HydrophobicContact CZ-CG1 4.26Å; F97-V106 HydrophobicContact CZ-CG2 3.87Å; V102-V106 HydrophobicContact CG1-CG2 4.2Å; V102-V106 WeakPolarHBondContact O-CB 3.37Å; V102-V106 VanDerWaalsContact O-CG2 3.25Å; V102-V106 WeakPolarHBondContact O-CG2 3.27Å; V102-V106 PolarHBondContact O-N 2.83Å; K104-V106 VanDerWaalsContact C-N 3.29Å; K104-V106 PolarHBondContact O-N 3.1Å; V106-M110 HydrophobicContact CG1-CG 4.15Å; V106-M110 WeakPolarHBondContact O-CB 3.45Å; V106-M110 WeakPolarHBondContact O-CG 3.34Å; V106-M110 PolarHBondContact O-N 3.01Å |
| 107 | A | 97 | Very high | 95.2 | Very high | 13 Ų | 13 | 68.6 Ų | 68.6 | 11% | 0.107 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.6 | -42.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A103 K104 N111 V124 | A103-A107 WeakPolarHBondContact O-CB 3.42Å; A103-A107 PolarHBondContact O-N 2.9Å; K104-A107 PolarHBondContact O-N 2.81Å; K104-A107 VanDerWaalsContact O-N 3.08Å; A107-N111 WeakPolarHBondContact O-CB 3.43Å; A107-N111 PolarHBondContact O-N 2.94Å; A107-V124 HydrophobicContact CB-CG2 3.51Å |
| 108 | E | 96.4 | Very high | 95.1 | Very high | 156 Ų | 156 | 73.2 Ų | 73.2 | 73% | 0.729 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -69 | -46.9 | 178.6 | -70.6 | 171 | -164.9 | 0 | 0 | 112.5 | K104 I105 | K104-E108 PolarHBondContact O-N 2.83Å; I105-E108 PolarHBondContact O-N 3.2Å |
| 109 | T | 95.8 | Very high | 95.1 | Very high | 78 Ų | 78 | 73 Ų | 73 | 48% | 0.479 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -76.1 | -31.6 | -174.5 | 54 | 0 | 0 | 0 | 0 | 114.1 | I105 | I105-T109 HydrophobicContact CG2-CG2 4.16Å; I105-T109 WeakPolarHBondContact O-CB 3.4Å; I105-T109 WeakPolarHBondContact O-CG2 3.39Å; I105-T109 PolarHBondContact O-N 3.31Å; I105-T109 PolarHBondContact O-OG1 3.2Å |
| 110 | M | 96.2 | Very high | 95.2 | Very high | 6 Ų | 6 | 72 Ų | 72 | 3% | 0.03 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -99.7 | -7.7 | -174.1 | -59.1 | -61.2 | -53.9 | 0 | 0 | 113.7 | Y68 F69 F72 V106 N112 Y113 M115 I120 C122 | Y68-M110 HydrophobicContact CE1-CE 3.54Å; Y68-M110 HydrophobicContact CE1-SD 4.23Å; Y68-M110 WeakPolarHBondContact OH-CE 3.33Å; F69-M110 HydrophobicContact CE1-CG 4.22Å; F72-M110 HydrophobicContact CE1-CG 4.49Å; F72-M110 HydrophobicContact CE1-SD 4.21Å; F72-M110 HydrophobicContact CE2-SD 4.15Å; F72-M110 HydrophobicContact CZ-CG 4.05Å; F72-M110 HydrophobicContact CZ-SD 3.46Å; F72-M110 WeakPolarHBondContact CZ-SD 3.48Å; V106-M110 HydrophobicContact CG1-CG 4.15Å; V106-M110 WeakPolarHBondContact O-CB 3.45Å; V106-M110 WeakPolarHBondContact O-CG 3.34Å; V106-M110 PolarHBondContact O-N 3.01Å; M110-N112 PolarHBondContact O-N 3.11Å; M110-Y113 HydrophobicContact CE-CD1 3.67Å; M110-Y113 HydrophobicContact CE-CE1 4.26Å; M110-Y113 HydrophobicContact CE-CG 3.96Å; M110-Y113 WeakPolarHBondContact O-CB 3.35Å; M110-Y113 PolarHBondContact O-N 3.38Å; M110-M115 HydrophobicContact CE-CE 3.45Å; M110-M115 VanDerWaalsContact CE-CE 3.45Å; M110-I120 HydrophobicContact CB-CD1 4.2Å; M110-I120 HydrophobicContact CE-CD1 3.82Å; M110-I120 WeakPolarHBondContact O-CD1 3.49Å; M110-I120 WeakPolarHBondContact O-CG1 3.39Å; M110-C122 HydrophobicContact CB-CB 4.16Å; M110-C122 VanDerWaalsContact CB-SG 3.51Å |
| 111 | N | 96.5 | Very high | 95.3 | Very high | 62 Ų | 62 | 74.2 Ų | 74.2 | 33% | 0.332 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | 129.3 | 177.2 | -172.8 | 40.9 | 0 | 0 | 0 | 110.9 | A107 Y113 C122 | A107-N111 WeakPolarHBondContact O-CB 3.43Å; A107-N111 PolarHBondContact O-N 2.94Å; N111-Y113 PolarHBondContact O-N 3.29Å; N111-C122 HydrophobicContact CB-CB 4.29Å; N111-C122 PolarHBondContact OD1-N 3.1Å |
| 112 | N | 96.5 | Very high | 95.4 | Very high | 107 Ų | 107 | 67.8 Ų | 67.8 | 57% | 0.572 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | 20.1 | -170 | -48.5 | -56.8 | 0 | 0 | 0 | 115 | M110 L119 I120 | M110-N112 PolarHBondContact O-N 3.11Å; N112-L119 WeakPolarHBondContact O-CD2 3.41Å; N112-I120 WeakPolarHBondContact CA-O 3.47Å; N112-I120 PolarHBondContact N-O 3.42Å |
| 113 | Y | 96.1 | Very high | 95.4 | Very high | 114 Ų | 114 | 70 Ų | 70 | 45% | 0.447 | 36% | 0.355 | S | S | . | . | trans | -71.1 | 141.8 | 170.1 | -177.3 | -102.6 | 0 | 0 | 0 | 110.9 | M110 N111 M115 L119 I120 | M110-Y113 HydrophobicContact CE-CD1 3.67Å; M110-Y113 HydrophobicContact CE-CE1 4.26Å; M110-Y113 HydrophobicContact CE-CG 3.96Å; M110-Y113 WeakPolarHBondContact O-CB 3.35Å; M110-Y113 PolarHBondContact O-N 3.38Å; N111-Y113 PolarHBondContact O-N 3.29Å; Y113-M115 HydrophobicContact CD1-CE 3.78Å; Y113-M115 HydrophobicContact CD1-CG 3.62Å; Y113-M115 HydrophobicContact CE1-CE 3.86Å; Y113-M115 HydrophobicContact CE1-CG 3.8Å; Y113-M115 PolarHBondContact O-N 3.36Å; Y113-L119 WeakPolarHBondContact O-CA 3.12Å; Y113-I120 HydrophobicContact CD1-CD1 4.49Å; Y113-I120 VanDerWaalsContact O-CG1 3.27Å; Y113-I120 WeakPolarHBondContact O-CG1 3.38Å; Y113-I120 PolarHBondContact O-N 3.09Å | ||
| 114 | L | 95.1 | Very high | 95.5 | Very high | 105 Ų | 105 | 71.9 Ų | 71.9 | 55% | 0.55 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 110.3 | -178.6 | -175.8 | 64.2 | 0 | 0 | 0 | 111 | L119 | L114-L119 HydrophobicContact CB-CD2 4.03Å; L114-L119 HydrophobicContact CD1-CD2 3.9Å; L114-L119 HydrophobicContact CD1-CG 4.5Å |
| 115 | M | 90.8 | Very high | 95.4 | Very high | 18 Ų | 18 | 68.4 Ų | 68.4 | 9% | 0.089 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 105.1 | 173.2 | -68 | -160.4 | 170.4 | 0 | 0 | 111.3 | P57 L60 Y68 M110 Y113 E117 R118 I120 | P57-M115 HydrophobicContact CG-CB 4.47Å; L60-M115 HydrophobicContact CD1-SD 3.92Å; Y68-M115 HydrophobicContact CD1-CE 4.07Å; Y68-M115 HydrophobicContact CE1-CE 3.53Å; Y68-M115 HydrophobicContact CE2-CE 4.17Å; M110-M115 HydrophobicContact CE-CE 3.45Å; M110-M115 VanDerWaalsContact CE-CE 3.45Å; Y113-M115 HydrophobicContact CD1-CE 3.78Å; Y113-M115 HydrophobicContact CD1-CG 3.62Å; Y113-M115 HydrophobicContact CE1-CE 3.86Å; Y113-M115 HydrophobicContact CE1-CG 3.8Å; Y113-M115 PolarHBondContact O-N 3.36Å; M115-E117 PolarHBondContact O-N 2.9Å; M115-R118 PolarHBondContact N-O 3.29Å; M115-R118 PolarHBondContact O-N 3.49Å; M115-I120 HydrophobicContact CB-CG2 3.94Å; M115-I120 HydrophobicContact CE-CD1 3.9Å; M115-I120 HydrophobicContact CG-CD1 4.28Å; M115-I120 HydrophobicContact CG-CG1 4.35Å; M115-I120 HydrophobicContact CG-CG2 3.99Å; M115-I120 HydrophobicContact SD-CD1 4.04Å; M115-I120 HydrophobicContact SD-CG2 4.17Å |
| 116 | G | 88.2 | Confident | 95.3 | Very high | 67 Ų | 67 | 66.5 Ų | 66.5 | 69% | 0.691 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.4 | -119.5 | -170.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 117 | E | 91.1 | Very high | 95 | Very high | 192 Ų | 192 | 71.8 Ų | 71.8 | 90% | 0.897 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | 8.9 | -176.8 | -64 | 161.5 | -168.5 | 0 | 0 | 113.2 | M115 | M115-E117 PolarHBondContact O-N 2.9Š|
| 118 | R | 93.9 | Very high | 94.8 | Very high | 97 Ų | 97 | 80 Ų | 80 | 37% | 0.366 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 134.4 | -169.8 | -51.9 | -174.2 | 81 | -176.4 | 10.4 | 112.4 | H55 L56 M115 I120 | H55-R118 WeakPolarHBondContact O-CB 3.21Å; H55-R118 WeakPolarHBondContact O-CD 3.05Å; L56-R118 PolarHBondContact O-NH1 2.83Å; L56-R118 VanDerWaalsContact O-NH1 3.17Å; M115-R118 PolarHBondContact N-O 3.29Å; M115-R118 PolarHBondContact O-N 3.49Å; R118-I120 PolarHBondContact O-N 2.88Å |
| 119 | L | 96.1 | Very high | 94.6 | Very high | 94 Ų | 94 | 79.4 Ų | 79.4 | 49% | 0.492 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 114.9 | 166.8 | -59.7 | 174.8 | 0 | 0 | 0 | 108.7 | H55 N112 Y113 L114 | H55-L119 VanDerWaalsContact CB-O 3.3Å; H55-L119 WeakPolarHBondContact CB-O 3.23Å; H55-L119 PolarHBondContact ND1-O 3.16Å; N112-L119 WeakPolarHBondContact O-CD2 3.41Å; Y113-L119 WeakPolarHBondContact O-CA 3.12Å; L114-L119 HydrophobicContact CB-CD2 4.03Å; L114-L119 HydrophobicContact CD1-CD2 3.9Å; L114-L119 HydrophobicContact CD1-CG 4.5Å |
| 120 | I | 96.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 77.2 Ų | 77.2 | 0% | 0 | 40% | 0.398 | C | S | . | . | trans | -75.8 | 143.2 | 178.2 | 58.6 | 156.5 | 0 | 0 | 0 | 110.6 | G54 L56 M110 N112 Y113 M115 R118 | G54-I120 WeakPolarHBondContact O-CA 3.17Å; L56-I120 HydrophobicContact CD2-CG2 4.15Å; M110-I120 HydrophobicContact CB-CD1 4.2Å; M110-I120 HydrophobicContact CE-CD1 3.82Å; M110-I120 WeakPolarHBondContact O-CD1 3.49Å; M110-I120 WeakPolarHBondContact O-CG1 3.39Å; N112-I120 WeakPolarHBondContact CA-O 3.47Å; N112-I120 PolarHBondContact N-O 3.42Å; Y113-I120 HydrophobicContact CD1-CD1 4.49Å; Y113-I120 VanDerWaalsContact O-CG1 3.27Å; Y113-I120 WeakPolarHBondContact O-CG1 3.38Å; Y113-I120 PolarHBondContact O-N 3.09Å; M115-I120 HydrophobicContact CB-CG2 3.94Å; M115-I120 HydrophobicContact CE-CD1 3.9Å; M115-I120 HydrophobicContact CG-CD1 4.28Å; M115-I120 HydrophobicContact CG-CG1 4.35Å; M115-I120 HydrophobicContact CG-CG2 3.99Å; M115-I120 HydrophobicContact SD-CD1 4.04Å; M115-I120 HydrophobicContact SD-CG2 4.17Å; R118-I120 PolarHBondContact O-N 2.88Å | ||
| 121 | K | 97.1 | Very high | 94.2 | Very high | 86 Ų | 86 | 82.6 Ų | 82.6 | 37% | 0.374 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 123.2 | 174.2 | -175.8 | -180 | 175.3 | -166.3 | 0 | 109 | V53 G54 E123 | V53-K121 CarbonylContact C-O 3.55Å; V53-K121 WeakPolarHBondContact CA-O 3.41Å; G54-K121 PolarHBondContact N-O 3.4Å; G54-K121 PolarHBondContact O-N 3.26Å; G54-K121 VanDerWaalsContact O-N 3.11Å; K121-E123 WeakPolarHBondContact CE-OE2 3.2Å; K121-E123 IonicContact NZ-OE2 2.89Å; K121-E123 PolarHBondContact NZ-OE2 2.95Å |
| 122 | C | 97.4 | Very high | 93.9 | Very high | 6 Ų | 6 | 87.8 Ų | 87.8 | 4% | 0.041 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 133.4 | 176.1 | -63.4 | 0 | 0 | 0 | 0 | 110.3 | Y52 M110 N111 | Y52-C122 WeakPolarHBondContact O-CA 3.29Å; M110-C122 HydrophobicContact CB-CB 4.16Å; M110-C122 VanDerWaalsContact CB-SG 3.51Å; N111-C122 HydrophobicContact CB-CB 4.29Å; N111-C122 PolarHBondContact OD1-N 3.1Å |
| 123 | E | 97.1 | Very high | 93.8 | Very high | 78 Ų | 78 | 89.5 Ų | 89.5 | 36% | 0.364 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 133.1 | -176.2 | -165.6 | 176.9 | 141.8 | 0 | 0 | 109.5 | Y52 K121 | Y52-E123 HydrophobicContact CD1-CB 4.47Å; Y52-E123 PolarHBondContact N-O 3.3Å; Y52-E123 PolarHBondContact O-N 3.27Å; K121-E123 WeakPolarHBondContact CE-OE2 3.2Å; K121-E123 IonicContact NZ-OE2 2.89Å; K121-E123 PolarHBondContact NZ-OE2 2.95Å |
| 124 | V | 97 | Very high | 93.6 | Very high | 39 Ų | 39 | 85.2 Ų | 85.2 | 24% | 0.236 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 128 | 172.6 | -172.3 | 0 | 0 | 0 | 0 | 108.7 | K104 A107 | K104-V124 HydrophobicContact CG-CG2 4.08Å; A107-V124 HydrophobicContact CB-CG2 3.51Å |
| 125 | L | 95.9 | Very high | 93.6 | Very high | 26 Ų | 26 | 80.6 Ų | 80.6 | 14% | 0.136 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 122.6 | 172.8 | -110 | 61.4 | 0 | 0 | 0 | 109.9 | V50 Y52 F94 K129 V130 | V50-L125 HydrophobicContact CB-CB 4.4Å; V50-L125 HydrophobicContact CG1-CB 4.27Å; V50-L125 PolarHBondContact O-N 3.11Å; Y52-L125 HydrophobicContact CG-CD1 4.49Å; F94-L125 HydrophobicContact CD1-CD2 3.99Å; F94-L125 HydrophobicContact CE1-CD2 3.71Å; L125-K129 HydrophobicContact CG-CB 4.35Å; L125-V130 HydrophobicContact CB-CG2 4.02Å; L125-V130 HydrophobicContact CD2-CG2 4.34Å |
| 126 | P | 93.4 | Very high | 93.6 | Very high | 52 Ų | 52 | 84.4 Ų | 84.4 | 34% | 0.338 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 147.2 | 168.3 | 28.3 | -34.6 | 0 | 0 | 0 | 109.5 | E128 K129 | P126-E128 PolarHBondContact O-N 3.27Å; P126-E128 VanDerWaalsContact O-N 3.1Å; P126-K129 HydrophobicContact CG-CB 4.27Å; P126-K129 HydrophobicContact CG-CD 3.76Å; P126-K129 HydrophobicContact CG-CG 3.92Å; P126-K129 PolarHBondContact O-N 2.81Å |
| 127 | P | 90 | Very high | 93.7 | Very high | 111 Ų | 111 | 83.9 Ų | 83.9 | 72% | 0.721 | 43% | 0.426 | S | S | * | . | G | 310 helix | trans | -58 | -31.5 | -172.2 | 22 | -33.5 | 0 | 0 | 0 | 113.1 | K129 V130 | P127-K129 VanDerWaalsContact C-N 3.26Å; P127-K129 PolarHBondContact O-N 3.48Å; P127-V130 WeakPolarHBondContact O-CB 3.41Å; P127-V130 PolarHBondContact O-N 3.27Å |
| 128 | E | 92.8 | Very high | 93.7 | Very high | 186 Ų | 186 | 76.3 Ų | 76.3 | 87% | 0.869 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -58.6 | -32.9 | 175.4 | -61.4 | 173.1 | -177.4 | 0 | 0 | 113.7 | P126 V130 | P126-E128 PolarHBondContact O-N 3.27Å; P126-E128 VanDerWaalsContact O-N 3.1Å; E128-V130 VanDerWaalsContact C-N 3.35Å |
| 129 | K | 92.8 | Very high | 93.4 | Very high | 144 Ų | 144 | 80.4 Ų | 80.4 | 63% | 0.626 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -85.3 | -9.3 | 177.2 | -65.5 | -178.7 | -171.1 | 173.1 | 0 | 112.4 | L125 P126 P127 H131 | L125-K129 HydrophobicContact CG-CB 4.35Å; P126-K129 HydrophobicContact CG-CB 4.27Å; P126-K129 HydrophobicContact CG-CD 3.76Å; P126-K129 HydrophobicContact CG-CG 3.92Å; P126-K129 PolarHBondContact O-N 2.81Å; P127-K129 VanDerWaalsContact C-N 3.26Å; P127-K129 PolarHBondContact O-N 3.48Å; K129-H131 PolarHBondContact O-N 2.84Å |
| 130 | V | 93.4 | Very high | 93.1 | Very high | 32 Ų | 32 | 85.3 Ų | 85.3 | 19% | 0.194 | 43% | 0.43 | C | S | . | . | S | Bend | trans | -84.9 | 91.6 | 179 | -175.7 | 0 | 0 | 0 | 0 | 109.5 | V50 L125 P127 E128 E132 F135 | V50-V130 HydrophobicContact CB-CG2 3.87Å; V50-V130 HydrophobicContact CG1-CG2 4.09Å; V50-V130 HydrophobicContact CG2-CG1 4.18Å; V50-V130 HydrophobicContact CG2-CG2 3.97Å; L125-V130 HydrophobicContact CB-CG2 4.02Å; L125-V130 HydrophobicContact CD2-CG2 4.34Å; P127-V130 WeakPolarHBondContact O-CB 3.41Å; P127-V130 PolarHBondContact O-N 3.27Å; E128-V130 VanDerWaalsContact C-N 3.35Å; V130-E132 PolarHBondContact O-N 2.82Å; V130-F135 HydrophobicContact CG1-CE2 4.27Å |
| 131 | H | 91.3 | Very high | 92.7 | Very high | 118 Ų | 118 | 93.2 Ų | 93.2 | 55% | 0.546 | 47% | 0.469 | S | S | . | . | trans | -58 | 131.3 | 175.7 | -177.2 | -70.6 | 0 | 0 | 0 | 111.7 | K129 K133 L134 | K129-H131 PolarHBondContact O-N 2.84Å; H131-K133 VanDerWaalsContact C-N 3.31Å; H131-K133 PolarHBondContact ND1-N 3.03Å; H131-K133 VanDerWaalsContact ND1-N 3.11Å; H131-K133 PolarHBondContact O-N 2.91Å; H131-K133 VanDerWaalsContact O-N 3.1Å; H131-L134 WeakPolarHBondContact O-CB 3.49Å; H131-L134 PolarHBondContact O-N 3.3Å | ||
| 132 | E | 90.4 | Very high | 92.4 | Very high | 171 Ų | 171 | 93.1 Ų | 93.1 | 80% | 0.799 | 47% | 0.469 | S | S | * | . | G | 310 helix | trans | -46.8 | -48.6 | -175.2 | -56.9 | 175.6 | 159.4 | 0 | 0 | 114 | V130 L134 | V130-E132 PolarHBondContact O-N 2.82Å; E132-L134 PolarHBondContact O-N 2.78Å; E132-L134 VanDerWaalsContact O-N 3.14Å |
| 133 | K | 92.8 | Very high | 92.1 | Very high | 143 Ų | 143 | 102.8 Ų | 102.8 | 62% | 0.622 | 50% | 0.504 | S | S | * | . | G | 310 helix | trans | -72.8 | 0.3 | -178.2 | -58.9 | 175.9 | -176.8 | 163.2 | 0 | 114.1 | H131 F135 V136 | H131-K133 VanDerWaalsContact C-N 3.31Å; H131-K133 PolarHBondContact ND1-N 3.03Å; H131-K133 VanDerWaalsContact ND1-N 3.11Å; H131-K133 PolarHBondContact O-N 2.91Å; H131-K133 VanDerWaalsContact O-N 3.1Å; K133-F135 VanDerWaalsContact C-N 3.32Å; K133-F135 PolarHBondContact O-N 2.76Å; K133-V136 HydrophobicContact CB-CG2 4.12Å; K133-V136 HydrophobicContact CG-CG2 4.45Å; K133-V136 PolarHBondContact O-N 3.17Å |
| 134 | L | 92.8 | Very high | 91.7 | Very high | 25 Ų | 25 | 107.9 Ų | 107.9 | 13% | 0.131 | 52% | 0.52 | C | S | . | . | G | 310 helix | trans | -57.5 | -44.1 | -174.1 | -170 | 153.7 | 0 | 0 | 0 | 111.1 | R79 F94 H131 E132 | R79-L134 WeakPolarHBondContact CD-O 3.29Å; R79-L134 PolarHBondContact NE-O 2.91Å; R79-L134 PolarHBondContact NH1-O 3.4Å; F94-L134 HydrophobicContact CB-CD2 3.59Å; F94-L134 HydrophobicContact CD1-CD1 3.98Å; F94-L134 HydrophobicContact CD1-CD2 4.47Å; F94-L134 HydrophobicContact CD2-CD1 4.01Å; F94-L134 HydrophobicContact CD2-CD2 3.79Å; F94-L134 HydrophobicContact CD2-CG 4.17Å; F94-L134 HydrophobicContact CE1-CD1 4.08Å; F94-L134 HydrophobicContact CE2-CD1 4.11Å; F94-L134 HydrophobicContact CG-CD1 3.93Å; F94-L134 HydrophobicContact CG-CD2 3.71Å; F94-L134 HydrophobicContact CG-CG 4.32Å; F94-L134 HydrophobicContact CZ-CD1 4.15Å; H131-L134 WeakPolarHBondContact O-CB 3.49Å; H131-L134 PolarHBondContact O-N 3.3Å; E132-L134 PolarHBondContact O-N 2.78Å; E132-L134 VanDerWaalsContact O-N 3.14Å |
| 135 | F | 94.3 | Very high | 91.4 | Very high | 7 Ų | 7 | 109 Ų | 109 | 3% | 0.031 | 53% | 0.528 | C | S | . | . | G | 310 helix | trans | -96 | 8.7 | -178.2 | -62.5 | -85.3 | 0 | 0 | 0 | 114.7 | V50 R77 R79 F94 E96 V130 K133 G137 S138 | V50-F135 HydrophobicContact CG1-CE2 4.35Å; V50-F135 HydrophobicContact CG1-CZ 4.01Å; V50-F135 HydrophobicContact CG2-CE2 4.06Å; V50-F135 HydrophobicContact CG2-CZ 4.19Å; R77-F135 HydrophobicContact CB-CB 4.21Å; R77-F135 HydrophobicContact CB-CD1 3.44Å; R77-F135 VanDerWaalsContact CB-CD1 3.44Å; R77-F135 HydrophobicContact CB-CE1 3.87Å; R77-F135 HydrophobicContact CB-CG 3.9Å; R77-F135 HydrophobicContact CG-CB 4.5Å; R79-F135 HydrophobicContact CB-CD1 4.3Å; F94-F135 HydrophobicContact CB-CE1 4.18Å; F94-F135 HydrophobicContact CB-CZ 4.11Å; E96-F135 HydrophobicContact CB-CE1 4.21Å; E96-F135 HydrophobicContact CB-CE2 4.37Å; E96-F135 HydrophobicContact CB-CZ 3.82Å; V130-F135 HydrophobicContact CG1-CE2 4.27Å; K133-F135 VanDerWaalsContact C-N 3.32Å; K133-F135 PolarHBondContact O-N 2.76Å; F135-G137 PolarHBondContact O-N 3.13Å; F135-G137 VanDerWaalsContact O-N 3.15Å; F135-S138 VanDerWaalsContact O-CB 3.28Å; F135-S138 WeakPolarHBondContact O-CB 3.21Å; F135-S138 PolarHBondContact O-N 2.99Å; F135-S138 PolarHBondContact O-OG 3.19Å |
| 136 | V | 92.6 | Very high | 91.2 | Very high | 99 Ų | 99 | 111.9 Ų | 111.9 | 60% | 0.6 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62 | 119.9 | 178.9 | 173.1 | 0 | 0 | 0 | 0 | 110.5 | R79 K133 | R79-V136 PolarHBondContact NH1-O 3.05Å; K133-V136 HydrophobicContact CB-CG2 4.12Å; K133-V136 HydrophobicContact CG-CG2 4.45Å; K133-V136 PolarHBondContact O-N 3.17Å |
| 137 | G | 90.1 | Very high | 91 | Very high | 55 Ų | 55 | 117.4 Ų | 117.4 | 57% | 0.567 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 83.5 | 6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | F135 Q139 R140 | F135-G137 PolarHBondContact O-N 3.13Å; F135-G137 VanDerWaalsContact O-N 3.15Å; G137-Q139 VanDerWaalsContact C-N 3.28Å; G137-Q139 PolarHBondContact O-N 2.87Å; G137-R140 PolarHBondContact O-N 3.34Å; G137-R140 VanDerWaalsContact O-N 3.16Å |
| 138 | S | 89.7 | Confident | 91.1 | Very high | 34 Ų | 34 | 115.7 Ų | 115.7 | 24% | 0.238 | 56% | 0.559 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -56.8 | -35.8 | -179.7 | 55.2 | 0 | 0 | 0 | 0 | 114.3 | L78 F135 R140 | L78-S138 VanDerWaalsContact O-CB 3.32Å; L78-S138 WeakPolarHBondContact O-CB 3.28Å; F135-S138 VanDerWaalsContact O-CB 3.28Å; F135-S138 WeakPolarHBondContact O-CB 3.21Å; F135-S138 PolarHBondContact O-N 2.99Å; F135-S138 PolarHBondContact O-OG 3.19Å; S138-R140 PolarHBondContact O-N 2.83Å |
| 139 | Q | 87.6 | Confident | 91 | Very high | 182 Ų | 182 | 110.5 Ų | 110.5 | 85% | 0.85 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -11.7 | -178.9 | -64.1 | 172.8 | -4.3 | 0 | 0 | 113.8 | G137 | G137-Q139 VanDerWaalsContact C-N 3.28Å; G137-Q139 PolarHBondContact O-N 2.87Å |
| 140 | R | 90 | Very high | 91 | Very high | 197 Ų | 197 | 106.3 Ų | 106.3 | 74% | 0.743 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -93.2 | 127.3 | -178.7 | -178.2 | 177.4 | 177 | 167.2 | 2.3 | 110.5 | G137 S138 F142 | G137-R140 PolarHBondContact O-N 3.34Å; G137-R140 VanDerWaalsContact O-N 3.16Å; S138-R140 PolarHBondContact O-N 2.83Å; R140-F142 PolarHBondContact O-N 2.81Å |
| 141 | M | 88.8 | Confident | 90.9 | Very high | 166 Ų | 166 | 109.4 Ų | 109.4 | 82% | 0.818 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 126.9 | 172.8 | -61.4 | -167.5 | 86.9 | 0 | 0 | 111.6 | ||
| 142 | F | 91.1 | Very high | 90.9 | Very high | 85 Ų | 85 | 113.2 Ų | 113.2 | 37% | 0.373 | 56% | 0.562 | S | S | . | * | P | Polyproline II helix | trans | -64.3 | 138.5 | -178.6 | 179.2 | -99.6 | 0 | 0 | 0 | 111.9 | R82 G87 R140 R144 | R82-F142 VanDerWaalsContact CZ-CD1 3.42Å; G87-F142 WeakPolarHBondContact O-CE1 3.44Å; R140-F142 PolarHBondContact O-N 2.81Å; F142-R144 HydrophobicContact CE1-CG 4.07Å |
| 143 | R | 90.6 | Very high | 90.9 | Very high | 208 Ų | 208 | 113.8 Ų | 113.8 | 79% | 0.785 | 56% | 0.559 | S | S | * | * | trans | -123.8 | 136.1 | 169.2 | -63.5 | -169.4 | -179.4 | -158.8 | -0.1 | 109.2 | ||||
| 144 | R | 89.6 | Confident | 90.9 | Very high | 186 Ų | 186 | 112 Ų | 112 | 70% | 0.702 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 138.6 | 178.7 | -64 | -179.6 | 75.2 | 173.6 | 2.9 | 110 | F142 A146 | F142-R144 HydrophobicContact CE1-CG 4.07Å; R144-A146 PolarHBondContact O-N 2.87Å |
| 145 | P | 90.1 | Very high | 90.9 | Very high | 61 Ų | 61 | 119 Ų | 119 | 40% | 0.396 | 58% | 0.581 | S | S | . | * | P | Polyproline II helix | trans | -64.9 | 124.3 | -180 | 26.6 | -33.9 | 0 | 0 | 0 | 110.5 | ||
| 146 | A | 90.3 | Very high | 90.7 | Very high | 87 Ų | 87 | 126 Ų | 126 | 72% | 0.719 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 148.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111 | R144 P148 | R144-A146 PolarHBondContact O-N 2.87Å; A146-P148 VanDerWaalsContact C-CD 3.4Å; A146-P148 WeakPolarHBondContact O-CD 3.3Å |
| 147 | R | 89.4 | Confident | 90.6 | Very high | 168 Ų | 168 | 126.6 Ų | 126.6 | 63% | 0.634 | 61% | 0.61 | S | S | * | * | trans | -114.7 | 69.7 | 176.3 | -60 | -175.6 | 77.4 | 113.4 | -2.4 | 110.9 | A149 V150 T151 | R147-A149 PolarHBondContact O-N 2.93Å; R147-V150 HydrophobicContact CB-CB 3.98Å; R147-V150 HydrophobicContact CB-CG2 3.88Å; R147-V150 WeakPolarHBondContact O-CB 3.5Å; R147-V150 PolarHBondContact O-N 3.22Å; R147-T151 PolarHBondContact O-N 3.25Å; R147-T151 VanDerWaalsContact O-N 3.13Å | ||
| 148 | P | 92.1 | Very high | 90.8 | Very high | 76 Ų | 76 | 126 Ų | 126 | 49% | 0.494 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -61.9 | -28.1 | -173.3 | 25.4 | -35.1 | 0 | 0 | 0 | 113.6 | A146 T151 R152 | A146-P148 VanDerWaalsContact C-CD 3.4Å; A146-P148 WeakPolarHBondContact O-CD 3.3Å; P148-T151 WeakPolarHBondContact CA-OG1 3.23Å; P148-T151 PolarHBondContact O-OG1 3.33Å; P148-T151 VanDerWaalsContact O-OG1 3.05Å; P148-R152 WeakPolarHBondContact O-CB 3.49Å; P148-R152 WeakPolarHBondContact O-CG 3.44Å; P148-R152 PolarHBondContact O-N 3.11Å |
| 149 | A | 92.4 | Very high | 91 | Very high | 76 Ų | 76 | 129.3 Ų | 129.3 | 63% | 0.628 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -65.3 | -41.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | R147 R152 Y153 | R147-A149 PolarHBondContact O-N 2.93Å; A149-R152 PolarHBondContact O-N 3.38Å; A149-Y153 WeakPolarHBondContact O-CB 3.21Å; A149-Y153 PolarHBondContact O-N 3.24Å |
| 150 | V | 90.9 | Very high | 91.2 | Very high | 56 Ų | 56 | 128 Ų | 128 | 34% | 0.339 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -67 | -42.7 | 177.3 | 179.2 | 0 | 0 | 0 | 0 | 110.5 | R147 R152 Y153 N154 | R147-V150 HydrophobicContact CB-CB 3.98Å; R147-V150 HydrophobicContact CB-CG2 3.88Å; R147-V150 WeakPolarHBondContact O-CB 3.5Å; R147-V150 PolarHBondContact O-N 3.22Å; V150-R152 VanDerWaalsContact C-N 3.29Å; V150-R152 PolarHBondContact O-N 2.94Å; V150-Y153 PolarHBondContact O-N 3.4Å; V150-N154 WeakPolarHBondContact O-CB 3.18Å; V150-N154 PolarHBondContact O-N 3.41Å |
| 151 | T | 91.3 | Very high | 91.3 | Very high | 97 Ų | 97 | 123 Ų | 123 | 60% | 0.595 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -67.8 | -28.1 | 176.8 | 59.9 | 0 | 0 | 0 | 0 | 113.1 | R147 P148 R155 | R147-T151 PolarHBondContact O-N 3.25Å; R147-T151 VanDerWaalsContact O-N 3.13Å; P148-T151 WeakPolarHBondContact CA-OG1 3.23Å; P148-T151 PolarHBondContact O-OG1 3.33Å; P148-T151 VanDerWaalsContact O-OG1 3.05Å; T151-R155 WeakPolarHBondContact O-CB 3.42Å; T151-R155 PolarHBondContact O-N 3.33Å |
| 152 | R | 91.2 | Very high | 91.3 | Very high | 198 Ų | 198 | 119.3 Ų | 119.3 | 75% | 0.747 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -72.7 | -38.3 | 171 | -74.1 | 170.7 | -177.5 | -162.8 | 1.2 | 112.6 | P148 A149 V150 R155 | P148-R152 WeakPolarHBondContact O-CB 3.49Å; P148-R152 WeakPolarHBondContact O-CG 3.44Å; P148-R152 PolarHBondContact O-N 3.11Å; A149-R152 PolarHBondContact O-N 3.38Å; V150-R152 VanDerWaalsContact C-N 3.29Å; V150-R152 PolarHBondContact O-N 2.94Å; R152-R155 WeakPolarHBondContact O-CB 3.34Å |
| 153 | Y | 91.1 | Very high | 91.3 | Very high | 183 Ų | 183 | 118.7 Ų | 118.7 | 72% | 0.718 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -73 | -51 | 179.5 | -177.2 | -98.9 | 0 | 0 | 0 | 111.6 | A149 V150 R155 | A149-Y153 WeakPolarHBondContact O-CB 3.21Å; A149-Y153 PolarHBondContact O-N 3.24Å; V150-Y153 PolarHBondContact O-N 3.4Å; Y153-R155 PolarHBondContact O-N 3.02Å; Y153-R155 VanDerWaalsContact O-N 3.11Å |
| 154 | N | 92.3 | Very high | 91.4 | Very high | 106 Ų | 106 | 110.8 Ų | 110.8 | 57% | 0.567 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -74.5 | 10.1 | 176.7 | -64.5 | 4.6 | 0 | 0 | 0 | 113.5 | V150 N156 | V150-N154 WeakPolarHBondContact O-CB 3.18Å; V150-N154 PolarHBondContact O-N 3.41Å; N154-N156 PolarHBondContact O-N 2.85Å |
| 155 | R | 92.8 | Very high | 91.4 | Very high | 173 Ų | 173 | 105.7 Ų | 105.7 | 65% | 0.653 | 54% | 0.544 | S | S | * | . | P | Polyproline II helix | trans | -71.6 | 121.2 | 178.3 | -177.5 | 179 | 176.2 | 179.2 | 1.3 | 109.5 | T151 R152 Y153 R157 | T151-R155 WeakPolarHBondContact O-CB 3.42Å; T151-R155 PolarHBondContact O-N 3.33Å; R152-R155 WeakPolarHBondContact O-CB 3.34Å; Y153-R155 PolarHBondContact O-N 3.02Å; Y153-R155 VanDerWaalsContact O-N 3.11Å; R155-R157 WeakPolarHBondContact O-CG 3.46Å; R155-R157 PolarHBondContact O-N 2.88Å |
| 156 | N | 90.4 | Very high | 91.5 | Very high | 153 Ų | 153 | 105 Ų | 105 | 82% | 0.818 | 54% | 0.539 | S | S | * | . | P | Polyproline II helix | trans | -53.7 | 126.9 | 169.6 | -63.1 | -2 | 0 | 0 | 0 | 110.1 | N154 | N154-N156 PolarHBondContact O-N 2.85Š|
| 157 | R | 91.4 | Very high | 91.6 | Very high | 111 Ų | 111 | 108.7 Ų | 108.7 | 42% | 0.419 | 54% | 0.535 | S | S | . | . | P | Polyproline II helix | trans | -101.7 | 145.6 | -178.2 | -60.5 | -173.2 | -173.6 | -170.3 | 5.5 | 110 | R155 Q161 L162 M165 | R155-R157 WeakPolarHBondContact O-CG 3.46Å; R155-R157 PolarHBondContact O-N 2.88Å; R157-Q161 HydrophobicContact CB-CB 4.13Å; R157-L162 HydrophobicContact CB-CD2 3.95Å; R157-L162 HydrophobicContact CB-CG 4.15Å; R157-M165 PolarHBondContact NH1-SD 3.39Å |
| 158 | S | 94.3 | Very high | 91.8 | Very high | 43 Ų | 43 | 109.5 Ų | 109.5 | 30% | 0.301 | 54% | 0.538 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 156 | 171.9 | 65.7 | 0 | 0 | 0 | 0 | 110.7 | E160 Q161 L162 | S158-E160 PolarHBondContact O-N 3.38Å; S158-Q161 WeakPolarHBondContact O-CB 3.41Å; S158-Q161 PolarHBondContact O-N 2.88Å; S158-Q161 VanDerWaalsContact OG-CG 3.23Å; S158-Q161 WeakPolarHBondContact OG-CG 3.47Å; S158-Q161 PolarHBondContact OG-N 3.13Å; S158-L162 PolarHBondContact O-N 3.33Å |
| 159 | P | 92.4 | Very high | 91.8 | Very high | 104 Ų | 104 | 108.2 Ų | 108.2 | 68% | 0.675 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -55 | -40.1 | 176.2 | 20.3 | -32.9 | 0 | 0 | 0 | 112.4 | Q161 L162 D163 | P159-Q161 VanDerWaalsContact C-N 3.33Å; P159-Q161 PolarHBondContact O-N 3.29Å; P159-L162 WeakPolarHBondContact O-CB 3.4Å; P159-L162 PolarHBondContact O-N 3.46Å; P159-L162 VanDerWaalsContact O-N 3.13Å; P159-D163 PolarHBondContact O-N 3.01Å |
| 160 | E | 92.8 | Very high | 91.8 | Very high | 155 Ų | 155 | 106.9 Ų | 106.9 | 72% | 0.724 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.5 | -39.8 | 174.2 | -170.4 | -166.5 | 178 | 0 | 0 | 113 | S158 L162 D163 A164 | S158-E160 PolarHBondContact O-N 3.38Å; E160-L162 VanDerWaalsContact C-N 3.35Å; E160-D163 PolarHBondContact O-N 2.99Å; E160-A164 WeakPolarHBondContact O-CB 3.43Å; E160-A164 PolarHBondContact O-N 3.27Å |
| 161 | Q | 91.1 | Very high | 91.9 | Very high | 92 Ų | 92 | 111.9 Ų | 111.9 | 43% | 0.43 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -70.1 | -32.3 | 176.1 | -73 | 168.2 | 11.3 | 0 | 0 | 112.3 | R157 S158 P159 M165 | R157-Q161 HydrophobicContact CB-CB 4.13Å; S158-Q161 WeakPolarHBondContact O-CB 3.41Å; S158-Q161 PolarHBondContact O-N 2.88Å; S158-Q161 VanDerWaalsContact OG-CG 3.23Å; S158-Q161 WeakPolarHBondContact OG-CG 3.47Å; S158-Q161 PolarHBondContact OG-N 3.13Å; P159-Q161 VanDerWaalsContact C-N 3.33Å; P159-Q161 PolarHBondContact O-N 3.29Å; Q161-M165 WeakPolarHBondContact O-CB 3.43Å; Q161-M165 PolarHBondContact O-N 3.05Å |
| 162 | L | 90.4 | Very high | 92 | Very high | 87 Ų | 87 | 114.5 Ų | 114.5 | 46% | 0.455 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.8 | -46.3 | 171.6 | -64.1 | 174.3 | 0 | 0 | 0 | 110.2 | R157 S158 P159 E160 A164 M165 T166 | R157-L162 HydrophobicContact CB-CD2 3.95Å; R157-L162 HydrophobicContact CB-CG 4.15Å; S158-L162 PolarHBondContact O-N 3.33Å; P159-L162 WeakPolarHBondContact O-CB 3.4Å; P159-L162 PolarHBondContact O-N 3.46Å; P159-L162 VanDerWaalsContact O-N 3.13Å; E160-L162 VanDerWaalsContact C-N 3.35Å; L162-A164 PolarHBondContact O-N 3.04Å; L162-M165 CarbonylContact O-C 3.58Å; L162-M165 WeakPolarHBondContact O-CA 3.37Å; L162-M165 WeakPolarHBondContact O-CB 3.17Å; L162-M165 PolarHBondContact O-N 3.24Å; L162-T166 WeakPolarHBondContact O-CG2 3.44Å; L162-T166 PolarHBondContact O-N 3.49Å |
| 163 | D | 90.3 | Very high | 92.1 | Very high | 73 Ų | 73 | 106 Ų | 106 | 39% | 0.39 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.8 | -42.9 | 175.2 | -90.6 | -11.5 | 0 | 0 | 0 | 113.3 | P159 E160 M165 T166 R167 | P159-D163 PolarHBondContact O-N 3.01Å; E160-D163 PolarHBondContact O-N 2.99Å; D163-M165 PolarHBondContact O-N 3.01Å; D163-T166 PolarHBondContact O-N 3.06Å; D163-T166 PolarHBondContact O-OG1 2.81Å; D163-R167 WeakPolarHBondContact O-CB 3.19Å; D163-R167 WeakPolarHBondContact O-CG 3.41Å; D163-R167 PolarHBondContact O-N 3.28Å |
| 164 | A | 93.6 | Very high | 92.1 | Very high | 41 Ų | 41 | 100 Ų | 100 | 34% | 0.339 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.3 | -34.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | E160 L162 R168 | E160-A164 WeakPolarHBondContact O-CB 3.43Å; E160-A164 PolarHBondContact O-N 3.27Å; L162-A164 PolarHBondContact O-N 3.04Å; A164-R168 WeakPolarHBondContact O-CD 3.4Å; A164-R168 WeakPolarHBondContact O-CG 3.32Å; A164-R168 PolarHBondContact O-N 3.38Å |
| 165 | M | 89.6 | Confident | 92.1 | Very high | 79 Ų | 79 | 101.9 Ų | 101.9 | 39% | 0.389 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -72.1 | -45.6 | 175.1 | -176.5 | 177.5 | 178.5 | 0 | 0 | 112.5 | R157 Q161 L162 D163 R167 R168 L169 | R157-M165 PolarHBondContact NH1-SD 3.39Å; Q161-M165 WeakPolarHBondContact O-CB 3.43Å; Q161-M165 PolarHBondContact O-N 3.05Å; L162-M165 CarbonylContact O-C 3.58Å; L162-M165 WeakPolarHBondContact O-CA 3.37Å; L162-M165 WeakPolarHBondContact O-CB 3.17Å; L162-M165 PolarHBondContact O-N 3.24Å; D163-M165 PolarHBondContact O-N 3.01Å; M165-R167 PolarHBondContact O-N 3.11Å; M165-R168 WeakPolarHBondContact O-CB 3.46Å; M165-R168 PolarHBondContact O-N 2.95Å; M165-R168 VanDerWaalsContact O-N 3.11Å; M165-L169 HydrophobicContact CE-CD1 4.25Å; M165-L169 HydrophobicContact CG-CD1 4.34Å; M165-L169 PolarHBondContact O-N 2.9Å |
| 166 | T | 91.1 | Very high | 92 | Very high | 48 Ų | 48 | 98.1 Ų | 98.1 | 29% | 0.294 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.3 | -44.8 | 178.8 | 59.9 | 0 | 0 | 0 | 0 | 110.6 | L162 D163 R168 L169 L170 | L162-T166 WeakPolarHBondContact O-CG2 3.44Å; L162-T166 PolarHBondContact O-N 3.49Å; D163-T166 PolarHBondContact O-N 3.06Å; D163-T166 PolarHBondContact O-OG1 2.81Å; T166-R168 VanDerWaalsContact C-N 3.27Å; T166-R168 PolarHBondContact O-N 3.09Å; T166-L169 PolarHBondContact O-N 3.04Å; T166-L169 VanDerWaalsContact O-N 3.09Å; T166-L170 WeakPolarHBondContact O-CG 3.35Å; T166-L170 PolarHBondContact O-N 3.41Å |
| 167 | R | 92.6 | Very high | 91.9 | Very high | 164 Ų | 164 | 94.4 Ų | 94.4 | 62% | 0.619 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -55.6 | -40.2 | 172.6 | -67.9 | 172.2 | -160 | -163.1 | 7.1 | 112.2 | D163 M165 R171 | D163-R167 WeakPolarHBondContact O-CB 3.19Å; D163-R167 WeakPolarHBondContact O-CG 3.41Å; D163-R167 PolarHBondContact O-N 3.28Å; M165-R167 PolarHBondContact O-N 3.11Å; R167-R171 PolarHBondContact O-N 3.2Å |
| 168 | R | 93.8 | Very high | 92 | Very high | 184 Ų | 184 | 96.3 Ų | 96.3 | 69% | 0.694 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -69.2 | -37.6 | 176.1 | -73.8 | 168.3 | -175.4 | -167.9 | 2.1 | 112.7 | A164 M165 T166 K172 | A164-R168 WeakPolarHBondContact O-CD 3.4Å; A164-R168 WeakPolarHBondContact O-CG 3.32Å; A164-R168 PolarHBondContact O-N 3.38Å; M165-R168 WeakPolarHBondContact O-CB 3.46Å; M165-R168 PolarHBondContact O-N 2.95Å; M165-R168 VanDerWaalsContact O-N 3.11Å; T166-R168 VanDerWaalsContact C-N 3.27Å; T166-R168 PolarHBondContact O-N 3.09Å; R168-K172 PolarHBondContact O-N 2.91Å |
| 169 | L | 92.6 | Very high | 92 | Very high | 50 Ų | 50 | 100.6 Ų | 100.6 | 26% | 0.262 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.4 | -49.6 | 175.9 | -73.4 | 172.2 | 0 | 0 | 0 | 111.3 | M165 T166 R171 K172 E173 F192 | M165-L169 HydrophobicContact CE-CD1 4.25Å; M165-L169 HydrophobicContact CG-CD1 4.34Å; M165-L169 PolarHBondContact O-N 2.9Å; T166-L169 PolarHBondContact O-N 3.04Å; T166-L169 VanDerWaalsContact O-N 3.09Å; L169-R171 VanDerWaalsContact C-N 3.26Å; L169-R171 PolarHBondContact O-N 3.2Å; L169-K172 WeakPolarHBondContact O-CA 3.27Å; L169-K172 WeakPolarHBondContact O-CB 3.44Å; L169-K172 PolarHBondContact O-N 3.29Å; L169-E173 PolarHBondContact O-N 2.78Å; L169-F192 HydrophobicContact CB-CD2 4.42Å; L169-F192 HydrophobicContact CB-CG 4.39Å; L169-F192 HydrophobicContact CD1-CD1 4.31Å; L169-F192 HydrophobicContact CD1-CE1 4.45Å; L169-F192 HydrophobicContact CD2-CE2 4.48Å |
| 170 | L | 91.8 | Very high | 92 | Very high | 48 Ų | 48 | 97.2 Ų | 97.2 | 25% | 0.251 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -58.3 | -37.1 | 177.5 | -63.3 | 171.6 | 0 | 0 | 0 | 112.4 | T166 K172 S174 F192 A193 K196 | T166-L170 WeakPolarHBondContact O-CG 3.35Å; T166-L170 PolarHBondContact O-N 3.41Å; L170-K172 VanDerWaalsContact C-N 3.34Å; L170-K172 PolarHBondContact O-N 3.26Å; L170-S174 WeakPolarHBondContact O-CB 3.48Å; L170-S174 PolarHBondContact O-N 2.87Å; L170-S174 PolarHBondContact O-OG 2.91Å; L170-F192 HydrophobicContact CD2-CB 4.26Å; L170-A193 VanDerWaalsContact CD2-CA 3.44Å; L170-A193 HydrophobicContact CD2-CB 3.91Å; L170-K196 HydrophobicContact CD1-CD 4.17Å |
| 171 | R | 93.4 | Very high | 91.9 | Very high | 160 Ų | 160 | 93 Ų | 93 | 60% | 0.604 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -67.8 | -29.7 | 173.9 | -169.5 | 179.6 | -176.2 | -164.8 | 4 | 113 | R167 L169 S174 R175 | R167-R171 PolarHBondContact O-N 3.2Å; L169-R171 VanDerWaalsContact C-N 3.26Å; L169-R171 PolarHBondContact O-N 3.2Å; R171-S174 PolarHBondContact O-OG 3.5Å; R171-R175 WeakPolarHBondContact O-CD 3.37Å; R171-R175 VanDerWaalsContact O-CG 3.27Å; R171-R175 WeakPolarHBondContact O-CG 3.44Å |
| 172 | K | 93.4 | Very high | 92 | Very high | 153 Ų | 153 | 96.3 Ų | 96.3 | 67% | 0.665 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -77.8 | -44.9 | 174.2 | -74.4 | -175.5 | 174.4 | -168.2 | 0 | 111.4 | R168 L169 L170 R175 L176 | R168-K172 PolarHBondContact O-N 2.91Å; L169-K172 WeakPolarHBondContact O-CA 3.27Å; L169-K172 WeakPolarHBondContact O-CB 3.44Å; L169-K172 PolarHBondContact O-N 3.29Å; L170-K172 VanDerWaalsContact C-N 3.34Å; L170-K172 PolarHBondContact O-N 3.26Å; K172-R175 WeakPolarHBondContact O-CB 3.36Å; K172-R175 PolarHBondContact O-N 3.26Å; K172-L176 PolarHBondContact O-N 3.31Å |
| 173 | E | 92.4 | Very high | 92.2 | Very high | 18 Ų | 18 | 99.2 Ų | 99.2 | 8% | 0.084 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -55.8 | -51.1 | 176.7 | -179.2 | -176.6 | 178.5 | 0 | 0 | 111.8 | L169 R175 L176 R177 G191 F192 A193 | L169-E173 PolarHBondContact O-N 2.78Å; E173-R175 VanDerWaalsContact C-N 3.29Å; E173-R175 PolarHBondContact O-N 3.32Å; E173-L176 PolarHBondContact O-N 2.89Å; E173-L176 VanDerWaalsContact O-N 3.11Å; E173-R177 PolarHBondContact O-N 3.04Å; E173-R177 IonicContact OE1-CZ 2.95Å; E173-R177 IonicContact OE1-NH1 2.64Å; E173-R177 PolarHBondContact OE1-NH1 2.95Å; E173-R177 IonicContact OE1-NH2 3.85Å; E173-R177 PolarHBondContact OE1-NH2 3.33Å; E173-G191 WeakPolarHBondContact OE1-CA 3.45Å; E173-F192 HydrophobicContact CB-CD2 4.5Å; E173-F192 PolarHBondContact OE1-N 3.4Å; E173-F192 WeakPolarHBondContact OE2-CB 3.45Å; E173-F192 PolarHBondContact OE2-N 3.47Å; E173-A193 PolarHBondContact OE1-N 3.46Å; E173-A193 PolarHBondContact OE2-N 3.45Å; E173-A193 VanDerWaalsContact OE2-N 3.12Å |
| 174 | S | 90.7 | Very high | 92.3 | Very high | 57 Ų | 57 | 98.8 Ų | 98.8 | 40% | 0.399 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.3 | -32.2 | 177.4 | 50.7 | 0 | 0 | 0 | 0 | 113.7 | L170 R171 K178 | L170-S174 WeakPolarHBondContact O-CB 3.48Å; L170-S174 PolarHBondContact O-N 2.87Å; L170-S174 PolarHBondContact O-OG 2.91Å; R171-S174 PolarHBondContact O-OG 3.5Å; S174-K178 VanDerWaalsContact O-CG 3.31Å; S174-K178 WeakPolarHBondContact O-CG 3.31Å; S174-K178 PolarHBondContact O-N 3.11Å |
| 175 | R | 93.1 | Very high | 92.1 | Very high | 147 Ų | 147 | 100.2 Ų | 100.2 | 56% | 0.555 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -71.3 | -39 | 172.4 | -76.4 | 172.8 | 167.5 | -169.4 | -8.8 | 112.2 | R171 K172 E173 K179 | R171-R175 WeakPolarHBondContact O-CD 3.37Å; R171-R175 VanDerWaalsContact O-CG 3.27Å; R171-R175 WeakPolarHBondContact O-CG 3.44Å; K172-R175 WeakPolarHBondContact O-CB 3.36Å; K172-R175 PolarHBondContact O-N 3.26Å; E173-R175 VanDerWaalsContact C-N 3.29Å; E173-R175 PolarHBondContact O-N 3.32Å; R175-K179 PolarHBondContact O-N 3.18Å |
| 176 | L | 90.5 | Very high | 91.8 | Very high | 94 Ų | 94 | 105.8 Ų | 105.8 | 49% | 0.492 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.3 | -48.9 | 178.1 | -178 | 62 | 0 | 0 | 0 | 111.2 | K172 E173 K178 K179 L180 | K172-L176 PolarHBondContact O-N 3.31Å; E173-L176 PolarHBondContact O-N 2.89Å; E173-L176 VanDerWaalsContact O-N 3.11Å; L176-K178 VanDerWaalsContact C-N 3.27Å; L176-K178 PolarHBondContact O-N 2.83Å; L176-K179 WeakPolarHBondContact O-CB 3.47Å; L176-K179 PolarHBondContact O-N 3.32Å; L176-L180 HydrophobicContact CD1-CD1 4.49Å; L176-L180 HydrophobicContact CD1-CG 4.44Å; L176-L180 HydrophobicContact CG-CD1 4.11Å; L176-L180 HydrophobicContact CG-CG 4.48Å; L176-L180 PolarHBondContact O-N 3.02Å |
| 177 | R | 89.5 | Confident | 91.4 | Very high | 75 Ų | 75 | 108.8 Ų | 108.8 | 28% | 0.283 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -56.4 | -39.3 | 176.1 | -75.4 | -169 | 178.6 | 129.8 | 7.6 | 112.5 | E173 L180 A181 Y187 F189 P190 | E173-R177 PolarHBondContact O-N 3.04Å; E173-R177 IonicContact OE1-CZ 2.95Å; E173-R177 IonicContact OE1-NH1 2.64Å; E173-R177 PolarHBondContact OE1-NH1 2.95Å; E173-R177 IonicContact OE1-NH2 3.85Å; E173-R177 PolarHBondContact OE1-NH2 3.33Å; R177-L180 PolarHBondContact O-N 3.3Å; R177-A181 WeakPolarHBondContact O-CB 3.45Å; R177-A181 PolarHBondContact O-N 3.23Å; R177-Y187 HydrophobicContact CG-CD1 4.14Å; R177-F189 PolarHBondContact NH2-O 2.8Å; R177-P190 PolarHBondContact NH2-O 2.92Å; R177-P190 VanDerWaalsContact NH2-O 3.14Å |
| 178 | K | 92.4 | Very high | 90.8 | Very high | 150 Ų | 150 | 108.8 Ų | 108.8 | 65% | 0.652 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.8 | -41.3 | 174.3 | -76.7 | -179.1 | 179.2 | -162.3 | 0 | 112.9 | S174 L176 Q182 | S174-K178 VanDerWaalsContact O-CG 3.31Å; S174-K178 WeakPolarHBondContact O-CG 3.31Å; S174-K178 PolarHBondContact O-N 3.11Å; L176-K178 VanDerWaalsContact C-N 3.27Å; L176-K178 PolarHBondContact O-N 2.83Å; K178-Q182 VanDerWaalsContact O-CG 3.26Å; K178-Q182 WeakPolarHBondContact O-CG 3.45Å; K178-Q182 PolarHBondContact O-N 2.86Å; K178-Q182 VanDerWaalsContact O-N 3.08Å |
| 179 | K | 94.9 | Very high | 90.2 | Very high | 134 Ų | 134 | 105.9 Ų | 105.9 | 58% | 0.583 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.5 | -44.4 | 175.8 | -71.7 | -173.8 | 170.9 | -157 | 0 | 112.3 | R175 L176 A181 Q182 Q183 | R175-K179 PolarHBondContact O-N 3.18Å; L176-K179 WeakPolarHBondContact O-CB 3.47Å; L176-K179 PolarHBondContact O-N 3.32Å; K179-A181 PolarHBondContact O-N 2.95Å; K179-Q182 WeakPolarHBondContact O-CB 3.42Å; K179-Q182 PolarHBondContact O-N 3.13Å; K179-Q183 WeakPolarHBondContact O-CG 3.44Å; K179-Q183 PolarHBondContact O-N 3.08Å |
| 180 | L | 91.4 | Very high | 89.6 | Confident | 32 Ų | 32 | 107.3 Ų | 107.3 | 17% | 0.168 | 53% | 0.529 | C | S | . | . | H | α-helix | trans | -61.4 | -44.4 | 177.8 | -67.8 | 172.9 | 0 | 0 | 0 | 111.4 | L176 R177 Q182 Q183 G184 V185 Y187 | L176-L180 HydrophobicContact CD1-CD1 4.49Å; L176-L180 HydrophobicContact CD1-CG 4.44Å; L176-L180 HydrophobicContact CG-CD1 4.11Å; L176-L180 HydrophobicContact CG-CG 4.48Å; L176-L180 PolarHBondContact O-N 3.02Å; R177-L180 PolarHBondContact O-N 3.3Å; L180-Q182 VanDerWaalsContact C-N 3.33Å; L180-Q182 PolarHBondContact O-N 3.12Å; L180-Q183 CarbonylContact O-C 3.5Å; L180-Q183 WeakPolarHBondContact O-CA 3.45Å; L180-Q183 PolarHBondContact O-N 2.95Å; L180-G184 PolarHBondContact O-N 3.46Å; L180-V185 CarbonylContact C-O 3.4Å; L180-V185 HydrophobicContact CB-CB 4.32Å; L180-V185 PolarHBondContact O-N 3.12Å; L180-Y187 HydrophobicContact CD1-CD1 4.28Å; L180-Y187 HydrophobicContact CD1-CD2 3.74Å; L180-Y187 HydrophobicContact CD1-CE2 4.36Å; L180-Y187 HydrophobicContact CD1-CG 3.69Å |
| 181 | A | 90.6 | Very high | 89.3 | Confident | 68 Ų | 68 | 105.7 Ų | 105.7 | 56% | 0.562 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.2 | -36.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | R177 K179 Q183 G184 | R177-A181 WeakPolarHBondContact O-CB 3.45Å; R177-A181 PolarHBondContact O-N 3.23Å; K179-A181 PolarHBondContact O-N 2.95Å; A181-Q183 VanDerWaalsContact C-N 3.26Å; A181-Q183 PolarHBondContact O-N 3.47Å; A181-G184 PolarHBondContact O-N 3.41Å; A181-G184 VanDerWaalsContact O-N 3.13Å |
| 182 | Q | 94.6 | Very high | 88.6 | Confident | 161 Ų | 161 | 102.8 Ų | 102.8 | 75% | 0.752 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.4 | -28.7 | 172.7 | -74.9 | 169.2 | -28 | 0 | 0 | 112.9 | K178 K179 L180 G184 | K178-Q182 VanDerWaalsContact O-CG 3.26Å; K178-Q182 WeakPolarHBondContact O-CG 3.45Å; K178-Q182 PolarHBondContact O-N 2.86Å; K178-Q182 VanDerWaalsContact O-N 3.08Å; K179-Q182 WeakPolarHBondContact O-CB 3.42Å; K179-Q182 PolarHBondContact O-N 3.13Å; L180-Q182 VanDerWaalsContact C-N 3.33Å; L180-Q182 PolarHBondContact O-N 3.12Å; Q182-G184 VanDerWaalsContact C-N 3.28Å |
| 183 | Q | 94.8 | Very high | 87.8 | Confident | 147 Ų | 147 | 97.3 Ų | 97.3 | 69% | 0.687 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | 12.5 | 174.1 | -64.8 | 179.8 | -60.8 | 0 | 0 | 112.7 | K179 L180 A181 V185 | K179-Q183 WeakPolarHBondContact O-CG 3.44Å; K179-Q183 PolarHBondContact O-N 3.08Å; L180-Q183 CarbonylContact O-C 3.5Å; L180-Q183 WeakPolarHBondContact O-CA 3.45Å; L180-Q183 PolarHBondContact O-N 2.95Å; A181-Q183 VanDerWaalsContact C-N 3.26Å; A181-Q183 PolarHBondContact O-N 3.47Å; Q183-V185 PolarHBondContact O-N 3.42Å |
| 184 | G | 92.1 | Very high | 87.1 | Confident | 64 Ų | 64 | 98.2 Ų | 98.2 | 66% | 0.66 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75 | 0.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | L180 A181 Q182 Q186 | L180-G184 PolarHBondContact O-N 3.46Å; A181-G184 PolarHBondContact O-N 3.41Å; A181-G184 VanDerWaalsContact O-N 3.13Å; Q182-G184 VanDerWaalsContact C-N 3.28Å; G184-Q186 PolarHBondContact O-N 2.98Å |
| 185 | V | 89.8 | Confident | 86.1 | Confident | 72 Ų | 72 | 101 Ų | 101 | 44% | 0.436 | 52% | 0.517 | S | S | . | . | trans | -86 | 109.6 | -177.5 | -177.5 | 0 | 0 | 0 | 0 | 110.2 | L180 Q183 Y187 | L180-V185 CarbonylContact C-O 3.4Å; L180-V185 HydrophobicContact CB-CB 4.32Å; L180-V185 PolarHBondContact O-N 3.12Å; Q183-V185 PolarHBondContact O-N 3.42Å; V185-Y187 PolarHBondContact O-N 3.48Å | ||
| 186 | Q | 82 | Confident | 84.8 | Confident | 195 Ų | 195 | 99.1 Ų | 99.1 | 91% | 0.911 | 51% | 0.512 | S | S | * | . | trans | -72.1 | 122.7 | 169.6 | -63 | -163.6 | 14.6 | 0 | 0 | 110 | G184 | G184-Q186 PolarHBondContact O-N 2.98Š| ||
| 187 | Y | 82.2 | Confident | 83.3 | Confident | 112 Ų | 112 | 102.1 Ų | 102.1 | 44% | 0.439 | 52% | 0.521 | S | S | . | . | trans | -119.7 | 86.5 | -173.6 | -169.8 | -96.8 | 0 | 0 | 0 | 111.3 | R177 L180 V185 F189 | R177-Y187 HydrophobicContact CG-CD1 4.14Å; L180-Y187 HydrophobicContact CD1-CD1 4.28Å; L180-Y187 HydrophobicContact CD1-CD2 3.74Å; L180-Y187 HydrophobicContact CD1-CE2 4.36Å; L180-Y187 HydrophobicContact CD1-CG 3.69Å; V185-Y187 PolarHBondContact O-N 3.48Å; Y187-F189 VanDerWaalsContact C-N 3.32Å; Y187-F189 HydrophobicContact CD1-CB 4.4Å; Y187-F189 HydrophobicContact CE1-CB 3.78Å; Y187-F189 HydrophobicContact CE2-CB 4.47Å; Y187-F189 PolarHBondContact O-N 3.45Å | ||
| 188 | D | 80.1 | Confident | 81.7 | Confident | 163 Ų | 163 | 102.5 Ų | 102.5 | 87% | 0.872 | 53% | 0.532 | S | S | * | . | trans | -90.6 | 18.4 | -173.5 | -160.2 | 29.8 | 0 | 0 | 0 | 114.3 | ||||
| 189 | F | 81.3 | Confident | 79.9 | Confident | 124 Ų | 124 | 100.9 Ų | 100.9 | 54% | 0.544 | 54% | 0.535 | S | S | . | . | trans | -77.7 | 127.2 | 174.1 | -176 | -101.2 | 0 | 0 | 0 | 110.5 | R177 Y187 G191 | R177-F189 PolarHBondContact NH2-O 2.8Å; Y187-F189 VanDerWaalsContact C-N 3.32Å; Y187-F189 HydrophobicContact CD1-CB 4.4Å; Y187-F189 HydrophobicContact CE1-CB 3.78Å; Y187-F189 HydrophobicContact CE2-CB 4.47Å; Y187-F189 PolarHBondContact O-N 3.45Å; F189-G191 VanDerWaalsContact C-N 3.27Å; F189-G191 PolarHBondContact O-N 3.18Å; F189-G191 VanDerWaalsContact O-N 3.13Å | ||
| 190 | P | 80.9 | Confident | 77.9 | Confident | 80 Ų | 80 | 99.4 Ų | 99.4 | 52% | 0.519 | 54% | 0.541 | S | S | . | . | trans | -62.1 | -25 | -170.2 | 19 | -32.1 | 0 | 0 | 0 | 115.6 | R177 A194 | R177-P190 PolarHBondContact NH2-O 2.92Å; R177-P190 VanDerWaalsContact NH2-O 3.14Å; P190-A194 HydrophobicContact CB-CB 3.71Å | ||
| 191 | G | 84.8 | Confident | 76 | Confident | 13 Ų | 13 | 101.5 Ų | 101.5 | 13% | 0.134 | 56% | 0.564 | C | S | . | * | H | α-helix | trans | 64.5 | -159.5 | 168 | 0 | 0 | 0 | 0 | 0 | 115.7 | E173 F189 A193 | E173-G191 WeakPolarHBondContact OE1-CA 3.45Å; F189-G191 VanDerWaalsContact C-N 3.27Å; F189-G191 PolarHBondContact O-N 3.18Å; F189-G191 VanDerWaalsContact O-N 3.13Å; G191-A193 VanDerWaalsContact C-N 3.29Å; G191-A193 PolarHBondContact O-N 3.48Å |
| 192 | F | 80.1 | Confident | 73.7 | Confident | 99 Ų | 99 | 102 Ų | 102 | 43% | 0.434 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -74.1 | -22 | -176.5 | -56.1 | -75.4 | 0 | 0 | 0 | 112.3 | L169 L170 E173 A194 Q195 K196 | L169-F192 HydrophobicContact CB-CD2 4.42Å; L169-F192 HydrophobicContact CB-CG 4.39Å; L169-F192 HydrophobicContact CD1-CD1 4.31Å; L169-F192 HydrophobicContact CD1-CE1 4.45Å; L169-F192 HydrophobicContact CD2-CE2 4.48Å; L170-F192 HydrophobicContact CD2-CB 4.26Å; E173-F192 HydrophobicContact CB-CD2 4.5Å; E173-F192 PolarHBondContact OE1-N 3.4Å; E173-F192 WeakPolarHBondContact OE2-CB 3.45Å; E173-F192 PolarHBondContact OE2-N 3.47Å; F192-A194 VanDerWaalsContact C-N 3.33Å; F192-A194 PolarHBondContact O-N 3.12Å; F192-Q195 PolarHBondContact O-N 3.28Å; F192-K196 PolarHBondContact O-N 3.23Å |
| 193 | A | 75.3 | Confident | 71.5 | Confident | 38 Ų | 38 | 102.8 Ų | 102.8 | 31% | 0.314 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62.7 | -35.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L170 E173 G191 | L170-A193 VanDerWaalsContact CD2-CA 3.44Å; L170-A193 HydrophobicContact CD2-CB 3.91Å; E173-A193 PolarHBondContact OE1-N 3.46Å; E173-A193 PolarHBondContact OE2-N 3.45Å; E173-A193 VanDerWaalsContact OE2-N 3.12Å; G191-A193 VanDerWaalsContact C-N 3.29Å; G191-A193 PolarHBondContact O-N 3.48Å |
| 194 | A | 77.3 | Confident | 69.3 | Low | 37 Ų | 37 | 103 Ų | 103 | 31% | 0.306 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -74.6 | -43.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | P190 F192 K196 K197 T198 | P190-A194 HydrophobicContact CB-CB 3.71Å; F192-A194 VanDerWaalsContact C-N 3.33Å; F192-A194 PolarHBondContact O-N 3.12Å; A194-K196 PolarHBondContact O-N 3.14Å; A194-K197 WeakPolarHBondContact O-CB 3.37Å; A194-K197 PolarHBondContact O-N 3.13Å; A194-T198 PolarHBondContact O-N 2.71Å |
| 195 | Q | 70.4 | Confident | 66.9 | Low | 117 Ų | 117 | 103.7 Ų | 103.7 | 55% | 0.547 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -60.4 | -28.5 | -178.6 | -67.2 | 178.6 | -17 | 0 | 0 | 113.4 | F192 K197 T198 | F192-Q195 PolarHBondContact O-N 3.28Å; Q195-K197 VanDerWaalsContact C-N 3.29Å; Q195-K197 PolarHBondContact O-N 2.89Å; Q195-T198 PolarHBondContact O-OG1 3.28Å; Q195-T198 VanDerWaalsContact O-OG1 3.08Å |
| 196 | K | 65.5 | Low | 65 | Low | 107 Ų | 107 | 106.2 Ų | 106.2 | 47% | 0.465 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -67.9 | -27.5 | 173.9 | -172.9 | 177.4 | 177.6 | -170.4 | 0 | 113.1 | L170 F192 A194 T199 | L170-K196 HydrophobicContact CD1-CD 4.17Å; F192-K196 PolarHBondContact O-N 3.23Å; A194-K196 PolarHBondContact O-N 3.14Å; K196-T199 PolarHBondContact O-OG1 3.04Å |
| 197 | K | 59.9 | Low | 63.3 | Low | 157 Ų | 157 | 102.2 Ų | 102.2 | 68% | 0.683 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -81.6 | -31.7 | -177.8 | -62.9 | -177.1 | 178.5 | -177.3 | 0 | 112.4 | A194 Q195 S200 | A194-K197 WeakPolarHBondContact O-CB 3.37Å; A194-K197 PolarHBondContact O-N 3.13Å; Q195-K197 VanDerWaalsContact C-N 3.29Å; Q195-K197 PolarHBondContact O-N 2.89Å; K197-S200 PolarHBondContact O-OG 3.49Å |
| 198 | T | 55.9 | Low | 61.3 | Low | 83 Ų | 83 | 102.4 Ų | 102.4 | 51% | 0.509 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -73.1 | -40.8 | -177.1 | 52.7 | 0 | 0 | 0 | 0 | 112.2 | A194 Q195 S200 A201 V202 | A194-T198 PolarHBondContact O-N 2.71Å; Q195-T198 PolarHBondContact O-OG1 3.28Å; Q195-T198 VanDerWaalsContact O-OG1 3.08Å; T198-S200 PolarHBondContact O-N 2.95Å; T198-S200 VanDerWaalsContact O-N 3.13Å; T198-A201 PolarHBondContact O-N 2.92Å; T198-V202 PolarHBondContact O-N 3.24Å; T198-V202 VanDerWaalsContact O-N 3.09Å |
| 199 | T | 53.9 | Low | 59.7 | Low | 116 Ų | 116 | 99.4 Ų | 99.4 | 71% | 0.712 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | -18.5 | -179.9 | 55.9 | 0 | 0 | 0 | 0 | 114.6 | K196 | K196-T199 PolarHBondContact O-OG1 3.04Š|
| 200 | S | 52.5 | Low | 58.3 | Low | 102 Ų | 102 | 100.8 Ų | 100.8 | 71% | 0.713 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | -9.5 | 175.1 | 47.8 | 0 | 0 | 0 | 0 | 114.1 | K197 T198 | K197-S200 PolarHBondContact O-OG 3.49Å; T198-S200 PolarHBondContact O-N 2.95Å; T198-S200 VanDerWaalsContact O-N 3.13Å |
| 201 | A | 52 | Low | 56.3 | Low | 77 Ų | 77 | 105.2 Ų | 105.2 | 64% | 0.636 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117 | -30 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | T198 | T198-A201 PolarHBondContact O-N 2.92Š|
| 202 | V | 41.9 | Very low | 54.3 | Low | 78 Ų | 78 | 110.9 Ų | 110.9 | 47% | 0.473 | 66% | 0.655 | S | S | . | * | trans | -146.4 | 116.9 | -166.8 | 179.6 | 0 | 0 | 0 | 0 | 111.5 | T198 D204 A205 | T198-V202 PolarHBondContact O-N 3.24Å; T198-V202 VanDerWaalsContact O-N 3.09Å; V202-D204 VanDerWaalsContact CG1-O 3.27Å; V202-D204 WeakPolarHBondContact CG1-O 3.45Å; V202-A205 HydrophobicContact CG1-CB 4Å | ||
| 203 | L | 47.8 | Very low | 52.9 | Low | 177 Ų | 177 | 111.4 Ų | 111.4 | 93% | 0.927 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -88 | -9.8 | 158.9 | -79.4 | 169.8 | 0 | 0 | 0 | 112.3 | ||
| 204 | D | 48.5 | Very low | 51.6 | Low | 151 Ų | 151 | 115.6 Ų | 115.6 | 81% | 0.807 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -126.5 | 75 | -173.5 | -67.2 | -62.3 | 0 | 0 | 0 | 113.3 | V202 | V202-D204 VanDerWaalsContact CG1-O 3.27Å; V202-D204 WeakPolarHBondContact CG1-O 3.45Å |
| 205 | A | 42.4 | Very low | 50.1 | Low | 79 Ų | 79 | 119.5 Ų | 119.5 | 65% | 0.653 | 71% | 0.71 | S | S | * | * | trans | -178.8 | 96.3 | 153.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | V202 S207 | V202-A205 HydrophobicContact CG1-CB 4Å; A205-S207 PolarHBondContact O-N 3.03Å | ||
| 206 | S | 50.7 | Low | 49.2 | Very low | 126 Ų | 126 | 117.9 Ų | 117.9 | 88% | 0.881 | 71% | 0.711 | S | S | * | * | trans | -75.7 | 77.2 | 160.9 | 176.2 | 0 | 0 | 0 | 0 | 109.7 | C208 | S206-C208 PolarHBondContact O-N 3.41Š| ||
| 207 | S | 45.7 | Very low | 48.6 | Very low | 110 Ų | 110 | 116.5 Ų | 116.5 | 77% | 0.769 | 71% | 0.711 | S | S | * | * | trans | -94.2 | 87.7 | 167.8 | -171 | 0 | 0 | 0 | 0 | 109.9 | A205 | A205-S207 PolarHBondContact O-N 3.03Š| ||
| 208 | C | 39.3 | Very low | 48.2 | Very low | 117 Ų | 117 | 113.5 Ų | 113.5 | 79% | 0.791 | 71% | 0.708 | S | S | * | * | trans | -113.8 | 113.5 | 159.7 | -69.6 | 0 | 0 | 0 | 0 | 107 | S206 D210 | S206-C208 PolarHBondContact O-N 3.41Å; C208-D210 PolarHBondContact O-N 3.41Å | ||
| 209 | S | 48.3 | Very low | 48.1 | Very low | 100 Ų | 100 | 113 Ų | 113 | 70% | 0.699 | 71% | 0.708 | S | S | * | * | trans | -66 | 123.2 | -174.4 | 50.4 | 0 | 0 | 0 | 0 | 113.4 | Q211 | S209-Q211 PolarHBondContact O-N 3.08Š| ||
| 210 | D | 51.7 | Low | 47.9 | Very low | 152 Ų | 152 | 112.7 Ų | 112.7 | 81% | 0.813 | 70% | 0.697 | S | S | * | * | S | Bend | 40.1 | 47.2 | 127 | -54.2 | -26.5 | 0 | 0 | 0 | 119 | C208 | C208-D210 PolarHBondContact O-N 3.41Š| |
| 211 | Q | 38.7 | Very low | 48 | Very low | 173 Ų | 173 | 112.3 Ų | 112.3 | 81% | 0.808 | 69% | 0.686 | S | S | * | * | trans | -136 | 97.9 | 149 | -81.1 | -61.8 | -23.6 | 0 | 0 | 108.9 | S209 T213 | S209-Q211 PolarHBondContact O-N 3.08Å; Q211-T213 VanDerWaalsContact C-N 3.34Å; Q211-T213 PolarHBondContact O-N 3.44Å | ||
| 212 | T | 41.8 | Very low | 48.2 | Very low | 133 Ų | 133 | 114.4 Ų | 114.4 | 82% | 0.816 | 68% | 0.683 | S | S | * | * | trans | -71.8 | 84.6 | -177 | -50.7 | 0 | 0 | 0 | 0 | 110.9 | P214 | T212-P214 VanDerWaalsContact O-CD 3.31Å; T212-P214 WeakPolarHBondContact O-CD 3.26Å | ||
| 213 | T | 51.3 | Low | 48.8 | Very low | 110 Ų | 110 | 120 Ų | 120 | 68% | 0.675 | 70% | 0.696 | S | S | * | * | trans | -68.9 | 117.8 | 158.4 | 55 | 0 | 0 | 0 | 0 | 108.2 | Q211 V215 | Q211-T213 VanDerWaalsContact C-N 3.34Å; Q211-T213 PolarHBondContact O-N 3.44Å; T213-V215 VanDerWaalsContact C-N 3.32Å; T213-V215 PolarHBondContact O-N 3.07Å | ||
| 214 | P | 47.8 | Very low | 49 | Very low | 125 Ų | 125 | 120.1 Ų | 120.1 | 81% | 0.812 | 68% | 0.684 | S | S | * | * | trans | -78 | 81.2 | -173.8 | 31.1 | -34.8 | 0 | 0 | 0 | 110.8 | T212 | T212-P214 VanDerWaalsContact O-CD 3.31Å; T212-P214 WeakPolarHBondContact O-CD 3.26Å | ||
| 215 | V | 47.1 | Very low | 49.2 | Very low | 119 Ų | 119 | 120.6 Ų | 120.6 | 72% | 0.721 | 68% | 0.679 | S | S | * | * | trans | -113.6 | 101.6 | 176.7 | -178.5 | 0 | 0 | 0 | 0 | 110.4 | T213 T217 | T213-V215 VanDerWaalsContact C-N 3.32Å; T213-V215 PolarHBondContact O-N 3.07Å; V215-T217 PolarHBondContact O-N 3.2Å | ||
| 216 | C | 49.4 | Very low | 49.2 | Very low | 84 Ų | 84 | 121 Ų | 121 | 57% | 0.568 | 68% | 0.676 | S | S | * | * | trans | 32.4 | 80 | 161.4 | -71 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 217 | T | 53 | Low | 48.9 | Very low | 77 Ų | 77 | 119.9 Ų | 119.9 | 47% | 0.472 | 67% | 0.665 | S | S | . | * | trans | -62.7 | 153.5 | 160.7 | 53.4 | 0 | 0 | 0 | 0 | 111.3 | V215 S219 F220 L221 | V215-T217 PolarHBondContact O-N 3.2Å; T217-S219 PolarHBondContact O-N 3.01Å; T217-S219 PolarHBondContact OG1-OG 3.18Å; T217-F220 WeakPolarHBondContact O-CB 3.43Å; T217-F220 PolarHBondContact O-N 3.13Å; T217-L221 PolarHBondContact O-N 2.95Å | ||
| 218 | P | 52.7 | Low | 48.8 | Very low | 94 Ų | 94 | 119.9 Ų | 119.9 | 61% | 0.61 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -59.1 | -31.9 | 176.4 | 23.1 | -33.2 | 0 | 0 | 0 | 112.5 | F220 L221 E222 | P218-F220 PolarHBondContact O-N 3.09Å; P218-L221 CarbonylContact O-C 3.39Å; P218-L221 WeakPolarHBondContact O-CA 3.27Å; P218-L221 WeakPolarHBondContact O-CB 3.37Å; P218-L221 PolarHBondContact O-N 2.99Å; P218-E222 PolarHBondContact O-N 3.25Å |
| 219 | S | 53.9 | Low | 48.9 | Very low | 72 Ų | 72 | 119.9 Ų | 119.9 | 50% | 0.503 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -58.5 | -31.7 | 172.8 | 55.5 | 0 | 0 | 0 | 0 | 113.6 | T217 R223 | T217-S219 PolarHBondContact O-N 3.01Å; T217-S219 PolarHBondContact OG1-OG 3.18Å; S219-R223 VanDerWaalsContact O-CB 3.3Å; S219-R223 WeakPolarHBondContact O-CB 3.49Å; S219-R223 PolarHBondContact O-N 3.43Å |
| 220 | F | 50.2 | Low | 48.4 | Very low | 111 Ų | 111 | 121.7 Ų | 121.7 | 49% | 0.487 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -75.4 | -27.1 | 175.5 | -157.8 | -89.2 | 0 | 0 | 0 | 112.3 | T217 P218 | T217-F220 WeakPolarHBondContact O-CB 3.43Å; T217-F220 PolarHBondContact O-N 3.13Å; P218-F220 PolarHBondContact O-N 3.09Å |
| 221 | L | 53.3 | Low | 48.2 | Very low | 93 Ų | 93 | 121.6 Ų | 121.6 | 49% | 0.487 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -81.5 | -33.1 | 173 | -84.5 | 156.9 | 0 | 0 | 0 | 112.3 | T217 P218 R224 K225 | T217-L221 PolarHBondContact O-N 2.95Å; P218-L221 CarbonylContact O-C 3.39Å; P218-L221 WeakPolarHBondContact O-CA 3.27Å; P218-L221 WeakPolarHBondContact O-CB 3.37Å; P218-L221 PolarHBondContact O-N 2.99Å; L221-R224 PolarHBondContact O-N 3.24Å; L221-K225 WeakPolarHBondContact O-CG 3.31Å; L221-K225 PolarHBondContact O-N 2.85Å |
| 222 | E | 55.8 | Low | 48.2 | Very low | 121 Ų | 121 | 120.6 Ų | 120.6 | 57% | 0.565 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -71 | -40.2 | 172.8 | -75 | 168.7 | 146.8 | 0 | 0 | 111.2 | P218 R224 K225 S226 | P218-E222 PolarHBondContact O-N 3.25Å; E222-R224 PolarHBondContact O-N 2.9Å; E222-R224 VanDerWaalsContact O-N 3.12Å; E222-K225 CarbonylContact O-C 3.52Å; E222-K225 WeakPolarHBondContact O-CA 3.3Å; E222-K225 PolarHBondContact O-N 3.43Å; E222-S226 PolarHBondContact O-N 3.44Å; E222-S226 PolarHBondContact O-OG 2.98Å |
| 223 | R | 55.2 | Low | 48.8 | Very low | 197 Ų | 197 | 123.3 Ų | 123.3 | 74% | 0.743 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | -20 | 173.1 | -156.1 | 174.1 | -160.1 | 175.8 | 5.9 | 113.9 | S219 | S219-R223 VanDerWaalsContact O-CB 3.3Å; S219-R223 WeakPolarHBondContact O-CB 3.49Å; S219-R223 PolarHBondContact O-N 3.43Å |
| 224 | R | 52.4 | Low | 48.5 | Very low | 179 Ų | 179 | 127.1 Ų | 127.1 | 68% | 0.675 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | -8.3 | 171 | -82.3 | -176.2 | 168.3 | 166.8 | -1.6 | 114.6 | L221 E222 | L221-R224 PolarHBondContact O-N 3.24Å; E222-R224 PolarHBondContact O-N 2.9Å; E222-R224 VanDerWaalsContact O-N 3.12Å |
| 225 | K | 52.5 | Low | 48.6 | Very low | 161 Ų | 161 | 129.4 Ų | 129.4 | 70% | 0.7 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.1 | -26.9 | 172.4 | -71.2 | 173.6 | 179.7 | 178.3 | 0 | 112.1 | L221 E222 T227 | L221-K225 WeakPolarHBondContact O-CG 3.31Å; L221-K225 PolarHBondContact O-N 2.85Å; E222-K225 CarbonylContact O-C 3.52Å; E222-K225 WeakPolarHBondContact O-CA 3.3Å; E222-K225 PolarHBondContact O-N 3.43Å; K225-T227 VanDerWaalsContact C-N 3.3Å |
| 226 | S | 42.9 | Very low | 48.3 | Very low | 87 Ų | 87 | 128.9 Ų | 128.9 | 61% | 0.608 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -79.9 | -8.7 | 178.4 | 66.7 | 0 | 0 | 0 | 0 | 113.7 | E222 V228 | E222-S226 PolarHBondContact O-N 3.44Å; E222-S226 PolarHBondContact O-OG 2.98Å; S226-V228 PolarHBondContact O-N 3.25Å |
| 227 | T | 43.4 | Very low | 48.4 | Very low | 103 Ų | 103 | 133.4 Ų | 133.4 | 63% | 0.632 | 69% | 0.69 | S | S | * | * | trans | -76.9 | 66.7 | 165.2 | 53.8 | 0 | 0 | 0 | 0 | 109.6 | K225 V229 | K225-T227 VanDerWaalsContact C-N 3.3Å; T227-V229 PolarHBondContact O-N 3.42Å | ||
| 228 | V | 44.2 | Very low | 47.7 | Very low | 110 Ų | 110 | 137.2 Ų | 137.2 | 67% | 0.667 | 71% | 0.706 | S | S | * | * | trans | -70.3 | 117.8 | 151.7 | 174.1 | 0 | 0 | 0 | 0 | 105 | S226 L230 | S226-V228 PolarHBondContact O-N 3.25Å; V228-L230 HydrophobicContact CG1-CD2 4.41Å; V228-L230 PolarHBondContact O-N 3.44Å; V228-L230 VanDerWaalsContact O-N 3.12Å | ||
| 229 | V | 41.2 | Very low | 47.1 | Very low | 116 Ų | 116 | 139.6 Ų | 139.6 | 70% | 0.703 | 71% | 0.712 | S | S | * | * | trans | -65.2 | 110.7 | 166.9 | -179.8 | 0 | 0 | 0 | 0 | 105.8 | T227 | T227-V229 PolarHBondContact O-N 3.42Š| ||
| 230 | L | 38.5 | Very low | 46.1 | Very low | 139 Ų | 139 | 143.7 Ų | 143.7 | 73% | 0.728 | 73% | 0.727 | S | S | * | * | trans | -88.3 | 121.2 | 153.8 | -66.2 | 178 | 0 | 0 | 0 | 105 | V228 D232 | V228-L230 HydrophobicContact CG1-CD2 4.41Å; V228-L230 PolarHBondContact O-N 3.44Å; V228-L230 VanDerWaalsContact O-N 3.12Å; L230-D232 PolarHBondContact O-N 3.49Å | ||
| 231 | D | 47.2 | Very low | 45.9 | Very low | 150 Ų | 150 | 147.9 Ų | 147.9 | 80% | 0.802 | 75% | 0.745 | S | S | * | * | trans | -67.9 | 108.3 | 168.3 | -60.9 | -62.4 | 0 | 0 | 0 | 107.3 | ||||
| 232 | D | 39.5 | Very low | 45.4 | Very low | 151 Ų | 151 | 151.4 Ų | 151.4 | 81% | 0.807 | 76% | 0.761 | S | S | * | * | trans | -143.8 | 136 | 164.2 | -85 | -51.7 | 0 | 0 | 0 | 107.9 | L230 | L230-D232 PolarHBondContact O-N 3.49Š| ||
| 233 | E | 53.3 | Low | 45.2 | Very low | 190 Ų | 190 | 151.4 Ų | 151.4 | 89% | 0.888 | 77% | 0.772 | S | S | * | * | trans | -82.1 | 131.3 | -167.5 | -56 | 175.6 | 138.6 | 0 | 0 | 111.7 | ||||
| 234 | E | 46.1 | Very low | 44.8 | Very low | 191 Ų | 191 | 146.4 Ų | 146.4 | 89% | 0.893 | 77% | 0.772 | S | S | * | * | trans | 171.5 | 126.6 | 136 | -95.9 | 173 | -164 | 0 | 0 | 111.4 | ||||
| 235 | D | 48.8 | Very low | 44.5 | Very low | 173 Ų | 173 | 142.2 Ų | 142.2 | 93% | 0.925 | 78% | 0.776 | S | S | * | * | trans | -70.7 | 130.5 | -176.9 | -71.3 | -53.8 | 0 | 0 | 0 | 112.8 | ||||
| 236 | S | 41.8 | Very low | 44.5 | Very low | 108 Ų | 108 | 142.2 Ų | 142.2 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | trans | -140.2 | 105.9 | 163.9 | 42.5 | 0 | 0 | 0 | 0 | 111.8 | I238 | S236-I238 PolarHBondContact O-N 3.48Š| ||
| 237 | E | 51.3 | Low | 44.9 | Very low | 178 Ų | 178 | 145.6 Ų | 145.6 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | trans | -66.3 | 125.7 | -179.4 | -63.2 | -176.9 | 145.9 | 0 | 0 | 111.9 | I239 | E237-I239 PolarHBondContact O-N 3.45Š| ||
| 238 | I | 38.7 | Very low | 45.1 | Very low | 157 Ų | 157 | 148.8 Ų | 148.8 | 81% | 0.805 | 80% | 0.801 | S | S | * | * | trans | -86.8 | 95.4 | 178.4 | -56.9 | 174.9 | 0 | 0 | 0 | 109.8 | S236 L240 | S236-I238 PolarHBondContact O-N 3.48Å; I238-L240 PolarHBondContact O-N 2.93Å | ||
| 239 | I | 38.8 | Very low | 45.2 | Very low | 144 Ų | 144 | 149 Ų | 149 | 74% | 0.738 | 80% | 0.799 | S | S | * | * | trans | -79.9 | 108.9 | 174.5 | -58 | 175.6 | 0 | 0 | 0 | 110.1 | E237 K241 | E237-I239 PolarHBondContact O-N 3.45Å; I239-K241 PolarHBondContact O-N 2.88Å | ||
| 240 | L | 34 | Very low | 45.4 | Very low | 159 Ų | 159 | 151 Ų | 151 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | trans | -80.2 | 107.2 | 172.1 | -81.5 | 161.2 | 0 | 0 | 0 | 110.8 | I238 | I238-L240 PolarHBondContact O-N 2.93Š| ||
| 241 | K | 45.9 | Very low | 45.6 | Very low | 199 Ų | 199 | 152.8 Ų | 152.8 | 87% | 0.865 | 82% | 0.815 | S | S | * | * | trans | -91.3 | 106.3 | 177.3 | -161.8 | 144.8 | -175.3 | 168.1 | 0 | 110.6 | I239 | I239-K241 PolarHBondContact O-N 2.88Š| ||
| 242 | M | 42.4 | Very low | 45.4 | Very low | 167 Ų | 167 | 152.4 Ų | 152.4 | 82% | 0.823 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 146.3 | 173 | -69.7 | -178.9 | 63.6 | 0 | 0 | 111 | ||
| 243 | P | 51.6 | Low | 45.2 | Very low | 120 Ų | 120 | 151.7 Ų | 151.7 | 78% | 0.779 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 153.8 | 170.8 | 30.2 | -34.3 | 0 | 0 | 0 | 111 | ||
| 244 | A | 46.6 | Very low | 44.5 | Very low | 92 Ų | 92 | 149 Ų | 149 | 76% | 0.76 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 151 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 245 | A | 46.6 | Very low | 44.1 | Very low | 92 Ų | 92 | 147.3 Ų | 147.3 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 123.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||
| 246 | D | 52.5 | Low | 43.6 | Very low | 160 Ų | 160 | 146 Ų | 146 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 138.5 | 167.5 | -63.1 | -48.9 | 0 | 0 | 0 | 109.2 | ||
| 247 | K | 50.5 | Low | 43.8 | Very low | 158 Ų | 158 | 150 Ų | 150 | 69% | 0.687 | 80% | 0.799 | S | S | * | * | trans | -112.4 | 135.9 | 171.5 | -66.9 | -179.3 | 173 | -169.6 | 0 | 108.1 | ||||
| 248 | D | 46.9 | Very low | 43.4 | Very low | 171 Ų | 171 | 149.9 Ų | 149.9 | 91% | 0.914 | 80% | 0.799 | S | S | * | * | trans | -139.3 | 122.5 | 154.5 | -79.2 | -54.3 | 0 | 0 | 0 | 107 | ||||
| 249 | D | 47.4 | Very low | 43.7 | Very low | 115 Ų | 115 | 151.3 Ų | 151.3 | 62% | 0.615 | 80% | 0.802 | S | S | * | * | trans | -128.7 | 132.9 | -168.2 | -33 | -69.4 | 0 | 0 | 0 | 106.6 | ||||
| 250 | D | 45.8 | Very low | 43.7 | Very low | 157 Ų | 157 | 152.2 Ų | 152.2 | 84% | 0.84 | 81% | 0.808 | S | S | * | * | cis | -149.9 | 167.3 | 6.5 | -69.8 | -64.4 | 0 | 0 | 0 | 109.7 | ||||
| 251 | D | 42.8 | Very low | 43.8 | Very low | 176 Ų | 176 | 149.6 Ų | 149.6 | 94% | 0.941 | 80% | 0.804 | S | S | * | * | trans | -147.6 | 126.7 | 158.1 | -124.8 | -21.4 | 0 | 0 | 0 | 112.2 | ||||
| 252 | D | 43.2 | Very low | 43.3 | Very low | 143 Ų | 143 | 148.1 Ų | 148.1 | 77% | 0.765 | 81% | 0.805 | S | S | * | * | trans | -112.7 | 127.8 | -165.7 | -177.3 | 8.2 | 0 | 0 | 0 | 111.5 | ||||
| 253 | C | 35.3 | Very low | 43.3 | Very low | 135 Ų | 135 | 145.3 Ų | 145.3 | 91% | 0.912 | 80% | 0.802 | S | S | * | * | trans | -157.7 | 90.6 | 169.8 | -98.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 254 | N | 38.2 | Very low | 43 | Very low | 135 Ų | 135 | 145 Ų | 145 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | trans | -47.5 | 137.2 | 166.2 | 172.2 | 57.8 | 0 | 0 | 0 | 115.7 | ||||
| 255 | M | 36.9 | Very low | 43.2 | Very low | 154 Ų | 154 | 149.2 Ų | 149.2 | 76% | 0.759 | 81% | 0.806 | S | S | * | * | trans | -161 | 100.3 | 149 | -156.4 | 95.5 | -175.4 | 0 | 0 | 112.9 | ||||
| 256 | E | 38.8 | Very low | 43 | Very low | 145 Ų | 145 | 151.1 Ų | 151.1 | 68% | 0.678 | 80% | 0.804 | S | S | * | * | trans | 55.4 | 130.8 | 139.8 | -61 | 175.2 | 176.7 | 0 | 0 | 122.1 | ||||
| 257 | E | 46.1 | Very low | 42.9 | Very low | 193 Ų | 193 | 151.9 Ų | 151.9 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | trans | -87.6 | 130.4 | 172.5 | -60.4 | 174.6 | 140.7 | 0 | 0 | 110.2 | ||||
| 258 | E | 42 | Very low | 43 | Very low | 175 Ų | 175 | 154 Ų | 154 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | -112.1 | 116.9 | 168.7 | -75.8 | -77.8 | -167.5 | 0 | 0 | 109.2 | D260 | E258-D260 PolarHBondContact O-N 3.37Š| ||
| 259 | E | 46.4 | Very low | 43.6 | Very low | 188 Ų | 188 | 155.1 Ų | 155.1 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | trans | -87.5 | 93.4 | 173.9 | -70.8 | -167.2 | 154.1 | 0 | 0 | 110.2 | S261 | E259-S261 PolarHBondContact O-N 3.25Š| ||
| 260 | D | 37.1 | Very low | 44 | Very low | 162 Ų | 162 | 154.1 Ų | 154.1 | 87% | 0.866 | 82% | 0.822 | S | S | * | * | trans | -73.2 | 108.2 | 173 | -98.7 | -39 | 0 | 0 | 0 | 111.4 | E258 | E258-D260 PolarHBondContact O-N 3.37Š| ||
| 261 | S | 37.4 | Very low | 44.2 | Very low | 105 Ų | 105 | 159.7 Ų | 159.7 | 73% | 0.734 | 84% | 0.843 | S | S | * | * | trans | -74.9 | 123.7 | 176.3 | 59.8 | 0 | 0 | 0 | 0 | 112.4 | E259 S263 | E259-S261 PolarHBondContact O-N 3.25Å; S261-S263 PolarHBondContact O-N 3.39Å | ||
| 262 | D | 36.1 | Very low | 44.2 | Very low | 167 Ų | 167 | 158.9 Ų | 158.9 | 89% | 0.893 | 84% | 0.838 | S | S | * | * | trans | -64.5 | 119.5 | 174.4 | -160.4 | 3.1 | 0 | 0 | 0 | 110.7 | ||||
| 263 | S | 40.9 | Very low | 44.3 | Very low | 108 Ų | 108 | 159.7 Ų | 159.7 | 76% | 0.755 | 84% | 0.842 | S | S | * | * | trans | -116.9 | 126.3 | -179.1 | 48.9 | 0 | 0 | 0 | 0 | 110.8 | S261 | S261-S263 PolarHBondContact O-N 3.39Š| ||
| 264 | S | 46 | Very low | 44.8 | Very low | 113 Ų | 113 | 161.1 Ų | 161.1 | 79% | 0.79 | 84% | 0.838 | S | S | * | * | trans | -118.9 | 99.8 | -165.3 | 62.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 265 | E | 49.8 | Very low | 45.2 | Very low | 181 Ų | 181 | 162.6 Ų | 162.6 | 85% | 0.846 | 85% | 0.845 | S | S | * | * | trans | -136.9 | 142.4 | 162 | -58.2 | -174.4 | 147.6 | 0 | 0 | 104.9 | ||||
| 266 | D | 42.9 | Very low | 45.7 | Very low | 133 Ų | 133 | 163.2 Ų | 163.2 | 71% | 0.711 | 85% | 0.85 | S | S | * | * | cis | -149.3 | 149.6 | 45.8 | -85.4 | -52.7 | 0 | 0 | 0 | 115.5 | ||||
| 267 | E | 50.1 | Low | 46.2 | Very low | 176 Ų | 176 | 164.4 Ų | 164.4 | 82% | 0.822 | 86% | 0.862 | S | S | * | * | trans | 43.6 | 118 | 136.4 | -54.6 | -171.7 | 150.3 | 0 | 0 | 122.7 | ||||
| 268 | E | 53.6 | Low | 46.2 | Very low | 202 Ų | 202 | 162.4 Ų | 162.4 | 94% | 0.944 | 86% | 0.859 | S | S | * | * | trans | -104.8 | 118 | 143.4 | -83.1 | -167.1 | 148.3 | 0 | 0 | 109.7 | ||||
| 269 | E | 58.9 | Low | 46.5 | Very low | 195 Ų | 195 | 161.4 Ų | 161.4 | 91% | 0.911 | 86% | 0.862 | S | S | * | * | trans | -89.7 | 123.9 | 169.6 | -176.7 | -176.1 | -157.3 | 0 | 0 | 110.2 | ||||
| 270 | A | 54.8 | Low | 46.5 | Very low | 94 Ų | 94 | 159.2 Ų | 159.2 | 78% | 0.777 | 86% | 0.861 | S | S | * | * | trans | -155.8 | 112 | 167.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 271 | Q | 50.1 | Low | 47.3 | Very low | 274 Ų | 274 | 158.9 Ų | 158.9 | 100% | 1.28 | 86% | 0.86 | S | S | * | * | trans | -133.6 | 0 | 151.4 | -74.2 | -166.7 | 0.6 | 0 | 0 | 109.4 |
Retrieved 271 of 271 residues in 274.3 ms
(Link to these results)