| 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 | 67 | Low | 69.9 | Low | 242 Ų | 242 | 154 Ų | 154 | 100% | 1.192 | 84% | 0.841 | S | S | * | * | 0 | 114.5 | 0 | -75.1 | 168.6 | 79 | 0 | 0 | 106 | |||||
| 2 | V | 70.5 | Confident | 68.9 | Low | 147 Ų | 147 | 148.2 Ų | 148.2 | 89% | 0.891 | 83% | 0.829 | S | S | * | * | trans | -105 | 110.9 | -176 | -173.6 | 0 | 0 | 0 | 0 | 105.3 | E4 | V2-E4 PolarHBondContact O-N 3.4Š| ||
| 3 | D | 72 | Confident | 67.9 | Low | 166 Ų | 166 | 148.6 Ų | 148.6 | 89% | 0.888 | 83% | 0.828 | S | S | * | * | trans | -77.8 | 112.1 | 173.3 | -91.8 | -44.8 | 0 | 0 | 0 | 108.6 | ||||
| 4 | E | 74.6 | Confident | 66.7 | Low | 174 Ų | 174 | 144.7 Ų | 144.7 | 81% | 0.813 | 83% | 0.825 | S | S | * | * | trans | -79.4 | 129.4 | 176.1 | -165.4 | 175.9 | 160 | 0 | 0 | 109.4 | V2 R6 | V2-E4 PolarHBondContact O-N 3.4Å; E4-R6 PolarHBondContact O-N 3.31Å | ||
| 5 | P | 70.6 | Confident | 65.8 | Low | 119 Ų | 119 | 142.6 Ų | 142.6 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | trans | -72.1 | 114.1 | -179 | 28.1 | -31.4 | 0 | 0 | 0 | 109.9 | C7 | P5-C7 PolarHBondContact O-N 3.19Š| ||
| 6 | R | 73.6 | Confident | 65.2 | Low | 242 Ų | 242 | 139.4 Ų | 139.4 | 91% | 0.913 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 125.8 | 169.7 | -83.4 | -176.4 | -170.8 | -179 | 2.9 | 110 | E4 | E4-R6 PolarHBondContact O-N 3.31Š|
| 7 | C | 67.7 | Low | 65.4 | Low | 113 Ų | 113 | 133.9 Ų | 133.9 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 136.8 | 163.9 | -88.3 | 0 | 0 | 0 | 0 | 109.9 | P5 D9 | P5-C7 PolarHBondContact O-N 3.19Å; C7-D9 PolarHBondContact O-N 3.38Å |
| 8 | P | 76.2 | Confident | 66.5 | Low | 124 Ų | 124 | 131.1 Ų | 131.1 | 81% | 0.805 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 128.2 | 172.7 | 25.9 | -30.1 | 0 | 0 | 0 | 109.6 | ||
| 9 | D | 68.8 | Low | 67.7 | Low | 151 Ų | 151 | 131.8 Ų | 131.8 | 81% | 0.807 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 139.8 | 172.9 | -70.5 | -46 | 0 | 0 | 0 | 110.1 | C7 | C7-D9 PolarHBondContact O-N 3.38Š|
| 10 | P | 66 | Low | 68.9 | Low | 110 Ų | 110 | 131.1 Ų | 131.1 | 71% | 0.714 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 146.2 | 178.4 | 26.5 | -33.3 | 0 | 0 | 0 | 110.8 | A12 | P10-A12 PolarHBondContact O-N 2.92Š|
| 11 | P | 62.5 | Low | 69.9 | Low | 106 Ų | 106 | 127.5 Ų | 127.5 | 69% | 0.688 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 132.8 | -179.7 | 24.3 | -33.1 | 0 | 0 | 0 | 111.1 | D13 | P11-D13 PolarHBondContact O-N 3.46Š|
| 12 | A | 57.8 | Low | 71.3 | Confident | 84 Ų | 84 | 123.5 Ų | 123.5 | 69% | 0.694 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -65.8 | 8.6 | -176 | 0 | 0 | 0 | 0 | 0 | 115.4 | P10 T15 | P10-A12 PolarHBondContact O-N 2.92Å; A12-T15 PolarHBondContact O-OG1 3.37Å |
| 13 | D | 55.4 | Low | 72.4 | Confident | 154 Ų | 154 | 118.8 Ų | 118.8 | 82% | 0.824 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -91.1 | 4 | -179.4 | -66.3 | -29.4 | 0 | 0 | 0 | 113.4 | P11 T15 | P11-D13 PolarHBondContact O-N 3.46Å; D13-T15 VanDerWaalsContact C-N 3.27Å; D13-T15 PolarHBondContact O-N 3.32Å |
| 14 | A | 51.8 | Low | 73.5 | Confident | 94 Ų | 94 | 115.7 Ų | 115.7 | 78% | 0.777 | 66% | 0.664 | S | S | * | * | G | 310 helix | trans | -81 | -1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114 | T16 | A14-T16 PolarHBondContact O-N 3.49Š|
| 15 | T | 52.7 | Low | 74.6 | Confident | 113 Ų | 113 | 113.3 Ų | 113.3 | 69% | 0.693 | 65% | 0.65 | S | S | * | * | trans | -95.1 | 73.6 | 169.2 | 50.8 | 0 | 0 | 0 | 0 | 110.3 | A12 D13 S17 | A12-T15 PolarHBondContact O-OG1 3.37Å; D13-T15 VanDerWaalsContact C-N 3.27Å; D13-T15 PolarHBondContact O-N 3.32Å; T15-S17 PolarHBondContact O-N 2.86Å | ||
| 16 | T | 56.8 | Low | 75.9 | Confident | 91 Ų | 91 | 114.7 Ų | 114.7 | 56% | 0.558 | 64% | 0.641 | S | S | * | * | trans | -56.1 | 104.3 | 141.5 | 50.3 | 0 | 0 | 0 | 0 | 104.3 | A14 S18 | A14-T16 PolarHBondContact O-N 3.49Å; T16-S18 PolarHBondContact O-N 3.29Å | ||
| 17 | S | 68.8 | Low | 77 | Confident | 46 Ų | 46 | 107.1 Ų | 107.1 | 32% | 0.322 | 62% | 0.619 | S | S | . | * | trans | -42 | 134.1 | -170.2 | 175.5 | 0 | 0 | 0 | 0 | 108.6 | T15 E19 Q20 T21 | T15-S17 PolarHBondContact O-N 2.86Å; S17-E19 CarbonylContact O-C 3.52Å; S17-E19 PolarHBondContact O-N 2.74Å; S17-E19 WeakPolarHBondContact OG-CB 3.47Å; S17-E19 PolarHBondContact OG-N 3.47Å; S17-Q20 WeakPolarHBondContact O-CA 3.41Å; S17-Q20 WeakPolarHBondContact O-CB 3.39Å; S17-Q20 PolarHBondContact O-N 2.91Å; S17-T21 PolarHBondContact O-N 3.29Å | ||
| 18 | S | 85 | Confident | 78.4 | Confident | 84 Ų | 84 | 106.9 Ų | 106.9 | 59% | 0.587 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -45.7 | -33.7 | 176.6 | 52.4 | 0 | 0 | 0 | 0 | 111.2 | T16 T21 Y22 | T16-S18 PolarHBondContact O-N 3.29Å; S18-T21 WeakPolarHBondContact O-CB 3.41Å; S18-T21 PolarHBondContact O-N 3.31Å; S18-Y22 WeakPolarHBondContact O-CD2 3.47Å; S18-Y22 PolarHBondContact O-N 3.45Å |
| 19 | E | 89 | Confident | 79.5 | Confident | 144 Ų | 144 | 106.9 Ų | 106.9 | 67% | 0.673 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -53 | -50.1 | 169.4 | -169.3 | 177.2 | -172.7 | 0 | 0 | 114.5 | S17 T21 Y22 A23 | S17-E19 CarbonylContact O-C 3.52Å; S17-E19 PolarHBondContact O-N 2.74Å; S17-E19 WeakPolarHBondContact OG-CB 3.47Å; S17-E19 PolarHBondContact OG-N 3.47Å; E19-T21 VanDerWaalsContact C-N 3.29Å; E19-T21 PolarHBondContact O-N 3.09Å; E19-Y22 PolarHBondContact O-N 3.4Å; E19-A23 WeakPolarHBondContact O-CB 3.34Å; E19-A23 PolarHBondContact O-N 3.08Å |
| 20 | Q | 90.4 | Very high | 80.9 | Confident | 117 Ų | 117 | 102.4 Ų | 102.4 | 55% | 0.547 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -61.3 | -40 | 176 | -68.4 | 179.7 | -5.8 | 0 | 0 | 111.2 | S17 A23 V24 | S17-Q20 WeakPolarHBondContact O-CA 3.41Å; S17-Q20 WeakPolarHBondContact O-CB 3.39Å; S17-Q20 PolarHBondContact O-N 2.91Å; Q20-A23 PolarHBondContact O-N 2.85Å; Q20-V24 WeakPolarHBondContact O-CG2 3.05Å; Q20-V24 PolarHBondContact O-N 3.36Å; Q20-V24 VanDerWaalsContact O-N 3.08Å |
| 21 | T | 91.5 | Very high | 82.4 | Confident | 57 Ų | 57 | 103.9 Ų | 103.9 | 35% | 0.35 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -63.7 | -42.6 | 176.2 | -60.7 | 0 | 0 | 0 | 0 | 111.2 | S17 S18 E19 K25 | S17-T21 PolarHBondContact O-N 3.29Å; S18-T21 WeakPolarHBondContact O-CB 3.41Å; S18-T21 PolarHBondContact O-N 3.31Å; E19-T21 VanDerWaalsContact C-N 3.29Å; E19-T21 PolarHBondContact O-N 3.09Å; T21-K25 HydrophobicContact CG2-CD 4.36Å; T21-K25 WeakPolarHBondContact O-CG 3.36Å; T21-K25 PolarHBondContact O-N 2.92Å; T21-K25 VanDerWaalsContact O-N 3.09Å |
| 22 | Y | 94.7 | Very high | 84.1 | Confident | 157 Ų | 157 | 103.1 Ų | 103.1 | 62% | 0.616 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -67.8 | -37.6 | 176.4 | -77.8 | -64.7 | 0 | 0 | 0 | 112.6 | S18 E19 K25 Y26 | S18-Y22 WeakPolarHBondContact O-CD2 3.47Å; S18-Y22 PolarHBondContact O-N 3.45Å; E19-Y22 PolarHBondContact O-N 3.4Å; Y22-K25 PolarHBondContact O-N 3.4Å; Y22-Y26 WeakPolarHBondContact O-CB 3.35Å; Y22-Y26 PolarHBondContact O-N 3.02Å |
| 23 | A | 95 | Very high | 86.1 | Confident | 49 Ų | 49 | 106 Ų | 106 | 41% | 0.405 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -60.2 | -46.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | E19 Q20 K25 Y26 D27 | E19-A23 WeakPolarHBondContact O-CB 3.34Å; E19-A23 PolarHBondContact O-N 3.08Å; Q20-A23 PolarHBondContact O-N 2.85Å; A23-K25 PolarHBondContact O-N 3.22Å; A23-Y26 PolarHBondContact O-N 3.21Å; A23-D27 PolarHBondContact O-N 3.23Å |
| 24 | V | 95.6 | Very high | 88.1 | Confident | 101 Ų | 101 | 103.8 Ų | 103.8 | 61% | 0.612 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.8 | -42.2 | 176.5 | 174.4 | 0 | 0 | 0 | 0 | 111.8 | Q20 D27 L28 | Q20-V24 WeakPolarHBondContact O-CG2 3.05Å; Q20-V24 PolarHBondContact O-N 3.36Å; Q20-V24 VanDerWaalsContact O-N 3.08Å; V24-D27 PolarHBondContact O-N 2.84Å; V24-L28 PolarHBondContact O-N 3.2Å |
| 25 | K | 96.4 | Very high | 90.4 | Very high | 123 Ų | 123 | 107.2 Ų | 107.2 | 54% | 0.535 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.1 | -41.9 | 176.2 | -75 | 175.9 | -179.6 | 177.9 | 0 | 111.9 | T21 Y22 A23 L28 L29 | T21-K25 HydrophobicContact CG2-CD 4.36Å; T21-K25 WeakPolarHBondContact O-CG 3.36Å; T21-K25 PolarHBondContact O-N 2.92Å; T21-K25 VanDerWaalsContact O-N 3.09Å; Y22-K25 PolarHBondContact O-N 3.4Å; A23-K25 PolarHBondContact O-N 3.22Å; K25-L28 PolarHBondContact O-N 3Å; K25-L29 WeakPolarHBondContact O-CB 3.36Å; K25-L29 PolarHBondContact O-N 2.95Å |
| 26 | Y | 97.3 | Very high | 92.5 | Very high | 149 Ų | 149 | 105.8 Ų | 105.8 | 58% | 0.584 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.8 | -46.9 | 176.4 | 176.3 | -94.5 | 0 | 0 | 0 | 111.2 | Y22 A23 L28 L29 L30 | Y22-Y26 WeakPolarHBondContact O-CB 3.35Å; Y22-Y26 PolarHBondContact O-N 3.02Å; A23-Y26 PolarHBondContact O-N 3.21Å; Y26-L28 VanDerWaalsContact C-N 3.31Å; Y26-L28 PolarHBondContact O-N 3.39Å; Y26-L29 PolarHBondContact O-N 3.27Å; Y26-L30 HydrophobicContact CE1-CD2 4.09Å; Y26-L30 WeakPolarHBondContact O-CB 3.42Å; Y26-L30 PolarHBondContact O-N 2.94Å |
| 27 | D | 97.4 | Very high | 94.5 | Very high | 83 Ų | 83 | 106.2 Ų | 106.2 | 44% | 0.444 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.4 | -39.9 | 178 | -77.8 | -15.2 | 0 | 0 | 0 | 112.3 | A23 V24 K31 | A23-D27 PolarHBondContact O-N 3.23Å; V24-D27 PolarHBondContact O-N 2.84Å; D27-K31 WeakPolarHBondContact O-CB 3.25Å; D27-K31 VanDerWaalsContact O-CG 3.25Å; D27-K31 WeakPolarHBondContact O-CG 3.43Å; D27-K31 PolarHBondContact O-N 3.43Å |
| 28 | L | 97.7 | Very high | 95.9 | Very high | 107 Ų | 107 | 109.5 Ų | 109.5 | 56% | 0.56 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.1 | -47.3 | 175 | -176.6 | 64.7 | 0 | 0 | 0 | 111.1 | V24 K25 Y26 L30 K31 E32 | V24-L28 PolarHBondContact O-N 3.2Å; K25-L28 PolarHBondContact O-N 3Å; Y26-L28 VanDerWaalsContact C-N 3.31Å; Y26-L28 PolarHBondContact O-N 3.39Å; L28-L30 VanDerWaalsContact C-N 3.32Å; L28-L30 PolarHBondContact O-N 3.41Å; L28-K31 WeakPolarHBondContact O-CB 3.49Å; L28-K31 PolarHBondContact O-N 3.03Å; L28-E32 PolarHBondContact O-N 2.83Å |
| 29 | L | 98.4 | Very high | 96.6 | Very high | 124 Ų | 124 | 110 Ų | 110 | 65% | 0.649 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.7 | -41.2 | 178.4 | -176.8 | 62 | 0 | 0 | 0 | 111.6 | K25 Y26 K31 E32 Y33 | K25-L29 WeakPolarHBondContact O-CB 3.36Å; K25-L29 PolarHBondContact O-N 2.95Å; Y26-L29 PolarHBondContact O-N 3.27Å; L29-K31 VanDerWaalsContact C-N 3.34Å; L29-K31 PolarHBondContact O-N 3.11Å; L29-E32 PolarHBondContact O-N 2.91Å; L29-Y33 WeakPolarHBondContact O-CB 3.32Å; L29-Y33 PolarHBondContact O-N 2.96Å |
| 30 | L | 98.3 | Very high | 97 | Very high | 58 Ų | 58 | 106.2 Ų | 106.2 | 30% | 0.304 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.6 | -38.8 | 177.4 | -175.7 | 61 | 0 | 0 | 0 | 111.7 | Y26 L28 K34 | Y26-L30 HydrophobicContact CE1-CD2 4.09Å; Y26-L30 WeakPolarHBondContact O-CB 3.42Å; Y26-L30 PolarHBondContact O-N 2.94Å; L28-L30 VanDerWaalsContact C-N 3.32Å; L28-L30 PolarHBondContact O-N 3.41Å; L30-K34 HydrophobicContact CG-CD 4.48Å; L30-K34 WeakPolarHBondContact O-CB 3.49Å; L30-K34 VanDerWaalsContact O-CG 3.32Å; L30-K34 WeakPolarHBondContact O-CG 3.5Å; L30-K34 PolarHBondContact O-N 3.33Å |
| 31 | K | 98.3 | Very high | 97.4 | Very high | 141 Ų | 141 | 104.9 Ų | 104.9 | 61% | 0.613 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.7 | -46.3 | 174.2 | -75 | 168.8 | -175.3 | 172.1 | 0 | 111.5 | D27 L28 L29 K34 R35 | D27-K31 WeakPolarHBondContact O-CB 3.25Å; D27-K31 VanDerWaalsContact O-CG 3.25Å; D27-K31 WeakPolarHBondContact O-CG 3.43Å; D27-K31 PolarHBondContact O-N 3.43Å; L28-K31 WeakPolarHBondContact O-CB 3.49Å; L28-K31 PolarHBondContact O-N 3.03Å; L29-K31 VanDerWaalsContact C-N 3.34Å; L29-K31 PolarHBondContact O-N 3.11Å; K31-K34 PolarHBondContact O-N 3.42Å; K31-R35 WeakPolarHBondContact O-CB 3.49Å; K31-R35 PolarHBondContact O-N 3.05Å |
| 32 | E | 98.5 | Very high | 97.7 | Very high | 90 Ų | 90 | 109.4 Ų | 109.4 | 42% | 0.421 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.4 | -37.1 | 178.4 | -71.2 | -53.3 | 131.3 | 0 | 0 | 112.6 | L28 L29 R35 T36 | L28-E32 PolarHBondContact O-N 2.83Å; L29-E32 PolarHBondContact O-N 2.91Å; E32-R35 WeakPolarHBondContact O-CB 3.35Å; E32-R35 PolarHBondContact O-N 2.84Å; E32-T36 WeakPolarHBondContact O-CB 3.42Å; E32-T36 PolarHBondContact O-N 3.34Å; E32-T36 PolarHBondContact O-OG1 3.35Å |
| 33 | Y | 98.7 | Very high | 97.9 | Very high | 144 Ų | 144 | 106.6 Ų | 106.6 | 57% | 0.565 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.8 | -52.1 | 172.9 | 176.7 | -93.5 | 0 | 0 | 0 | 111.1 | L29 R35 T36 E37 | L29-Y33 WeakPolarHBondContact O-CB 3.32Å; L29-Y33 PolarHBondContact O-N 2.96Å; Y33-R35 VanDerWaalsContact C-N 3.29Å; Y33-R35 PolarHBondContact O-N 2.86Å; Y33-T36 PolarHBondContact O-N 3.48Å; Y33-T36 VanDerWaalsContact O-N 3.11Å; Y33-E37 WeakPolarHBondContact O-CB 3.45Å; Y33-E37 PolarHBondContact O-N 2.93Å |
| 34 | K | 98.6 | Very high | 98.1 | Very high | 107 Ų | 107 | 108.5 Ų | 108.5 | 47% | 0.465 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.4 | -39.2 | 177.4 | -73.6 | 175.3 | 179 | 178.5 | 0 | 112 | L30 K31 Q38 | L30-K34 HydrophobicContact CG-CD 4.48Å; L30-K34 WeakPolarHBondContact O-CB 3.49Å; L30-K34 VanDerWaalsContact O-CG 3.32Å; L30-K34 WeakPolarHBondContact O-CG 3.5Å; L30-K34 PolarHBondContact O-N 3.33Å; K31-K34 PolarHBondContact O-N 3.42Å; K34-Q38 VanDerWaalsContact O-CG 3.3Å; K34-Q38 WeakPolarHBondContact O-CG 3.3Å; K34-Q38 PolarHBondContact O-N 3.39Å |
| 35 | R | 98.5 | Very high | 98.2 | Very high | 166 Ų | 166 | 107.6 Ų | 107.6 | 63% | 0.626 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.6 | -45.4 | 175.2 | -174.6 | -172 | -176.4 | 108.4 | 1.8 | 111.3 | K31 E32 Y33 Q38 M39 | K31-R35 WeakPolarHBondContact O-CB 3.49Å; K31-R35 PolarHBondContact O-N 3.05Å; E32-R35 WeakPolarHBondContact O-CB 3.35Å; E32-R35 PolarHBondContact O-N 2.84Å; Y33-R35 VanDerWaalsContact C-N 3.29Å; Y33-R35 PolarHBondContact O-N 2.86Å; R35-Q38 PolarHBondContact O-N 3.07Å; R35-M39 PolarHBondContact O-N 3.47Å; R35-M39 VanDerWaalsContact O-N 3.07Å |
| 36 | T | 98.4 | Very high | 98.3 | Very high | 84 Ų | 84 | 110.8 Ų | 110.8 | 52% | 0.515 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.6 | -45.4 | 179.6 | -58.6 | 0 | 0 | 0 | 0 | 111.1 | E32 Y33 Q38 M39 T40 | E32-T36 WeakPolarHBondContact O-CB 3.42Å; E32-T36 PolarHBondContact O-N 3.34Å; E32-T36 PolarHBondContact O-OG1 3.35Å; Y33-T36 PolarHBondContact O-N 3.48Å; Y33-T36 VanDerWaalsContact O-N 3.11Å; T36-Q38 PolarHBondContact O-N 3.13Å; T36-M39 WeakPolarHBondContact O-CB 3.37Å; T36-M39 PolarHBondContact O-N 3.42Å; T36-M39 VanDerWaalsContact O-N 3.13Å; T36-T40 PolarHBondContact O-N 3.1Å; T36-T40 PolarHBondContact O-OG1 2.87Å; T36-T40 VanDerWaalsContact O-OG1 3.1Å |
| 37 | E | 98.6 | Very high | 98.3 | Very high | 100 Ų | 100 | 108.3 Ų | 108.3 | 47% | 0.467 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -56.5 | -47.5 | 175.6 | -178.3 | 179.7 | -138.5 | 0 | 0 | 111.8 | Y33 M39 T40 M41 | Y33-E37 WeakPolarHBondContact O-CB 3.45Å; Y33-E37 PolarHBondContact O-N 2.93Å; E37-M39 VanDerWaalsContact C-N 3.32Å; E37-M39 PolarHBondContact O-N 3.06Å; E37-T40 PolarHBondContact O-N 3.14Å; E37-M41 WeakPolarHBondContact O-CG 3.39Å; E37-M41 PolarHBondContact O-N 3.44Å |
| 38 | Q | 98.5 | Very high | 98.4 | Very high | 115 Ų | 115 | 111.1 Ų | 111.1 | 54% | 0.537 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.8 | -39.9 | 175.7 | -72.9 | 177.7 | 10.6 | 0 | 0 | 112.6 | K34 R35 T36 R42 | K34-Q38 VanDerWaalsContact O-CG 3.3Å; K34-Q38 WeakPolarHBondContact O-CG 3.3Å; K34-Q38 PolarHBondContact O-N 3.39Å; R35-Q38 PolarHBondContact O-N 3.07Å; T36-Q38 PolarHBondContact O-N 3.13Å; Q38-R42 WeakPolarHBondContact O-CG 3.48Å; Q38-R42 PolarHBondContact O-N 3.11Å; Q38-R42 VanDerWaalsContact O-N 3.11Å |
| 39 | M | 98.3 | Very high | 98.4 | Very high | 94 Ų | 94 | 110.6 Ų | 110.6 | 46% | 0.463 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.5 | -44.6 | 176.9 | -171.7 | 62.1 | 72.6 | 0 | 0 | 111.3 | R35 T36 E37 M41 R42 I43 | R35-M39 PolarHBondContact O-N 3.47Å; R35-M39 VanDerWaalsContact O-N 3.07Å; T36-M39 WeakPolarHBondContact O-CB 3.37Å; T36-M39 PolarHBondContact O-N 3.42Å; T36-M39 VanDerWaalsContact O-N 3.13Å; E37-M39 VanDerWaalsContact C-N 3.32Å; E37-M39 PolarHBondContact O-N 3.06Å; M39-M41 VanDerWaalsContact C-N 3.34Å; M39-M41 PolarHBondContact O-N 2.98Å; M39-R42 WeakPolarHBondContact O-CB 3.43Å; M39-R42 PolarHBondContact O-N 3.27Å; M39-R42 VanDerWaalsContact O-N 3.14Å; M39-I43 HydrophobicContact CG-CD1 4.02Å; M39-I43 WeakPolarHBondContact O-CG1 3.48Å; M39-I43 PolarHBondContact O-N 2.88Å |
| 40 | T | 98.5 | Very high | 98.4 | Very high | 64 Ų | 64 | 108.1 Ų | 108.1 | 39% | 0.393 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -57.6 | -47 | 176.3 | -62.2 | 0 | 0 | 0 | 0 | 111.1 | T36 E37 R42 I43 Q44 | T36-T40 PolarHBondContact O-N 3.1Å; T36-T40 PolarHBondContact O-OG1 2.87Å; T36-T40 VanDerWaalsContact O-OG1 3.1Å; E37-T40 PolarHBondContact O-N 3.14Å; T40-R42 VanDerWaalsContact C-N 3.31Å; T40-R42 PolarHBondContact O-N 3.16Å; T40-I43 PolarHBondContact O-N 3.17Å; T40-Q44 HydrophobicContact CG2-CG 4.44Å; T40-Q44 WeakPolarHBondContact O-CG 3.48Å; T40-Q44 PolarHBondContact O-N 3.46Å |
| 41 | M | 98.1 | Very high | 98.4 | Very high | 89 Ų | 89 | 110.1 Ų | 110.1 | 44% | 0.438 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.6 | -40.3 | 176.3 | -72.2 | -57 | -58 | 0 | 0 | 112.4 | E37 M39 N45 | E37-M41 WeakPolarHBondContact O-CG 3.39Å; E37-M41 PolarHBondContact O-N 3.44Å; M39-M41 VanDerWaalsContact C-N 3.34Å; M39-M41 PolarHBondContact O-N 2.98Å; M41-N45 WeakPolarHBondContact O-CB 3.38Å; M41-N45 VanDerWaalsContact O-CG 3.26Å; M41-N45 PolarHBondContact O-N 3.4Å; M41-N45 PolarHBondContact O-ND2 3.01Å |
| 42 | R | 98.3 | Very high | 98.4 | Very high | 153 Ų | 153 | 106 Ų | 106 | 58% | 0.577 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.5 | -43.2 | 175.4 | -72.5 | 176 | -173.7 | 170.6 | 4.4 | 111.9 | Q38 M39 T40 N45 R46 | Q38-R42 WeakPolarHBondContact O-CG 3.48Å; Q38-R42 PolarHBondContact O-N 3.11Å; Q38-R42 VanDerWaalsContact O-N 3.11Å; M39-R42 WeakPolarHBondContact O-CB 3.43Å; M39-R42 PolarHBondContact O-N 3.27Å; M39-R42 VanDerWaalsContact O-N 3.14Å; T40-R42 VanDerWaalsContact C-N 3.31Å; T40-R42 PolarHBondContact O-N 3.16Å; R42-N45 PolarHBondContact O-N 3.39Å; R42-R46 WeakPolarHBondContact O-CG 3.49Å; R42-R46 PolarHBondContact O-N 3.39Å |
| 43 | I | 98.5 | Very high | 98.4 | Very high | 97 Ų | 97 | 106.8 Ų | 106.8 | 50% | 0.497 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.4 | -46.3 | 177.8 | -68.3 | 168.2 | 0 | 0 | 0 | 110.2 | M39 T40 N45 R46 L47 | M39-I43 HydrophobicContact CG-CD1 4.02Å; M39-I43 WeakPolarHBondContact O-CG1 3.48Å; M39-I43 PolarHBondContact O-N 2.88Å; T40-I43 PolarHBondContact O-N 3.17Å; I43-N45 VanDerWaalsContact C-N 3.33Å; I43-N45 PolarHBondContact O-N 3.36Å; I43-R46 PolarHBondContact O-N 3.4Å; I43-R46 VanDerWaalsContact O-N 3.16Å; I43-L47 WeakPolarHBondContact O-CB 3.37Å; I43-L47 PolarHBondContact O-N 3.49Å |
| 44 | Q | 98.5 | Very high | 98.4 | Very high | 90 Ų | 90 | 104.3 Ų | 104.3 | 42% | 0.421 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60 | -41.1 | 176.9 | -72.8 | 177.3 | -9.9 | 0 | 0 | 112.3 | T40 L47 R48 | T40-Q44 HydrophobicContact CG2-CG 4.44Å; T40-Q44 WeakPolarHBondContact O-CG 3.48Å; T40-Q44 PolarHBondContact O-N 3.46Å; Q44-L47 PolarHBondContact O-N 2.86Å; Q44-R48 WeakPolarHBondContact O-CG 3.32Å; Q44-R48 PolarHBondContact O-N 2.72Å |
| 45 | N | 98.2 | Very high | 98.4 | Very high | 81 Ų | 81 | 102 Ų | 102 | 43% | 0.433 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.8 | -41.8 | 175 | -74.1 | -14.8 | 0 | 0 | 0 | 112.3 | M41 R42 I43 R48 N49 | M41-N45 WeakPolarHBondContact O-CB 3.38Å; M41-N45 VanDerWaalsContact O-CG 3.26Å; M41-N45 PolarHBondContact O-N 3.4Å; M41-N45 PolarHBondContact O-ND2 3.01Å; R42-N45 PolarHBondContact O-N 3.39Å; I43-N45 VanDerWaalsContact C-N 3.33Å; I43-N45 PolarHBondContact O-N 3.36Å; N45-R48 PolarHBondContact OD1-NH2 2.85Å; N45-N49 WeakPolarHBondContact O-CB 3.46Å; N45-N49 PolarHBondContact O-N 3Å; N45-N49 VanDerWaalsContact O-N 3.08Å |
| 46 | R | 98.4 | Very high | 98.4 | Very high | 191 Ų | 191 | 99.4 Ų | 99.4 | 72% | 0.721 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.5 | -41.5 | 175.8 | -73.3 | 178.9 | 66.6 | -173.3 | 0.2 | 111.8 | R42 I43 N49 T50 | R42-R46 WeakPolarHBondContact O-CG 3.49Å; R42-R46 PolarHBondContact O-N 3.39Å; I43-R46 PolarHBondContact O-N 3.4Å; I43-R46 VanDerWaalsContact O-N 3.16Å; R46-N49 PolarHBondContact O-N 2.88Å; R46-T50 WeakPolarHBondContact O-CB 3.48Å; R46-T50 PolarHBondContact O-N 2.77Å; R46-T50 PolarHBondContact O-OG1 2.95Å |
| 47 | L | 98.5 | Very high | 98.4 | Very high | 96 Ų | 96 | 100.8 Ų | 100.8 | 50% | 0.503 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.2 | -52.6 | 177.3 | -179.2 | 62.4 | 0 | 0 | 0 | 110.6 | I43 Q44 N49 T50 E51 | I43-L47 WeakPolarHBondContact O-CB 3.37Å; I43-L47 PolarHBondContact O-N 3.49Å; Q44-L47 PolarHBondContact O-N 2.86Å; L47-N49 VanDerWaalsContact C-N 3.3Å; L47-N49 PolarHBondContact O-N 3.08Å; L47-T50 WeakPolarHBondContact O-CB 3.4Å; L47-T50 PolarHBondContact O-N 3.26Å; L47-E51 HydrophobicContact CD1-CG 4.41Å; L47-E51 WeakPolarHBondContact O-CG 3.47Å; L47-E51 PolarHBondContact O-N 3Å |
| 48 | R | 98.4 | Very high | 98.4 | Very high | 143 Ų | 143 | 99.2 Ų | 99.2 | 54% | 0.54 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -56.1 | -42.1 | 177.3 | -73.3 | -170.8 | -74.1 | -177.6 | -4.8 | 113 | Q44 N45 E51 A52 | Q44-R48 WeakPolarHBondContact O-CG 3.32Å; Q44-R48 PolarHBondContact O-N 2.72Å; N45-R48 PolarHBondContact OD1-NH2 2.85Å; R48-E51 PolarHBondContact O-N 3.31Å; R48-A52 PolarHBondContact O-N 3.4Å |
| 49 | N | 98.5 | Very high | 98.4 | Very high | 96 Ų | 96 | 99.4 Ų | 99.4 | 51% | 0.513 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.2 | -42.4 | 176.5 | -173 | -1.9 | 0 | 0 | 0 | 111.6 | N45 R46 L47 A52 Q53 | N45-N49 WeakPolarHBondContact O-CB 3.46Å; N45-N49 PolarHBondContact O-N 3Å; N45-N49 VanDerWaalsContact O-N 3.08Å; R46-N49 PolarHBondContact O-N 2.88Å; L47-N49 VanDerWaalsContact C-N 3.3Å; L47-N49 PolarHBondContact O-N 3.08Å; N49-A52 PolarHBondContact O-N 2.89Å; N49-Q53 WeakPolarHBondContact O-CG 3.37Å; N49-Q53 PolarHBondContact O-N 3.49Å; N49-Q53 PolarHBondContact OD1-NE2 2.89Å |
| 50 | T | 98.4 | Very high | 98.4 | Very high | 71 Ų | 71 | 100.5 Ų | 100.5 | 44% | 0.436 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64 | -42.3 | 177.8 | -51.7 | 0 | 0 | 0 | 0 | 111.2 | R46 L47 A52 Q53 I54 | R46-T50 WeakPolarHBondContact O-CB 3.48Å; R46-T50 PolarHBondContact O-N 2.77Å; R46-T50 PolarHBondContact O-OG1 2.95Å; L47-T50 WeakPolarHBondContact O-CB 3.4Å; L47-T50 PolarHBondContact O-N 3.26Å; T50-A52 VanDerWaalsContact C-N 3.35Å; T50-A52 PolarHBondContact O-N 3.46Å; T50-Q53 PolarHBondContact O-N 2.93Å; T50-I54 HydrophobicContact CG2-CD1 4.14Å; T50-I54 WeakPolarHBondContact O-CG1 3.4Å; T50-I54 PolarHBondContact O-N 3.04Å |
| 51 | E | 98.6 | Very high | 98.3 | Very high | 101 Ų | 101 | 103.5 Ų | 103.5 | 47% | 0.472 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.4 | -40.7 | 175.4 | -70.3 | 171.2 | 158.2 | 0 | 0 | 112.4 | L47 R48 I54 S55 | L47-E51 HydrophobicContact CD1-CG 4.41Å; L47-E51 WeakPolarHBondContact O-CG 3.47Å; L47-E51 PolarHBondContact O-N 3Å; R48-E51 PolarHBondContact O-N 3.31Å; E51-I54 PolarHBondContact O-N 2.96Å; E51-S55 WeakPolarHBondContact O-CB 3.39Å; E51-S55 PolarHBondContact O-N 3.31Å; E51-S55 PolarHBondContact O-OG 3.29Å |
| 52 | A | 98.4 | Very high | 98.3 | Very high | 53 Ų | 53 | 107 Ų | 107 | 44% | 0.438 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.5 | -44.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | R48 N49 T50 S55 E56 | R48-A52 PolarHBondContact O-N 3.4Å; N49-A52 PolarHBondContact O-N 2.89Å; T50-A52 VanDerWaalsContact C-N 3.35Å; T50-A52 PolarHBondContact O-N 3.46Å; A52-S55 WeakPolarHBondContact O-CB 3.35Å; A52-S55 PolarHBondContact O-N 3.42Å; A52-E56 PolarHBondContact O-N 3Å |
| 53 | Q | 98.5 | Very high | 98.1 | Very high | 108 Ų | 108 | 102 Ų | 102 | 51% | 0.505 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.8 | -43.5 | 176.2 | -71.5 | 174.2 | 46.6 | 0 | 0 | 112.3 | N49 T50 S55 E56 L57 | N49-Q53 WeakPolarHBondContact O-CG 3.37Å; N49-Q53 PolarHBondContact O-N 3.49Å; N49-Q53 PolarHBondContact OD1-NE2 2.89Å; T50-Q53 PolarHBondContact O-N 2.93Å; Q53-S55 VanDerWaalsContact C-N 3.29Å; Q53-S55 PolarHBondContact O-N 3.25Å; Q53-E56 PolarHBondContact O-N 3.4Å; Q53-L57 WeakPolarHBondContact O-CG 3.29Å; Q53-L57 PolarHBondContact O-N 3.06Å |
| 54 | I | 98.5 | Very high | 98 | Very high | 91 Ų | 91 | 102.1 Ų | 102.1 | 47% | 0.467 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.2 | -44.3 | 175.1 | -70.1 | 166.6 | 0 | 0 | 0 | 110.2 | T50 E51 E56 L57 I58 | T50-I54 HydrophobicContact CG2-CD1 4.14Å; T50-I54 WeakPolarHBondContact O-CG1 3.4Å; T50-I54 PolarHBondContact O-N 3.04Å; E51-I54 PolarHBondContact O-N 2.96Å; I54-E56 PolarHBondContact O-N 2.98Å; I54-L57 PolarHBondContact O-N 2.87Å; I54-I58 HydrophobicContact CG2-CD1 3.85Å; I54-I58 HydrophobicContact CG2-CG1 4.48Å; I54-I58 VanDerWaalsContact O-CG1 3.29Å; I54-I58 WeakPolarHBondContact O-CG1 3.45Å; I54-I58 PolarHBondContact O-N 3.46Å |
| 55 | S | 98.5 | Very high | 97.7 | Very high | 60 Ų | 60 | 101.9 Ų | 101.9 | 42% | 0.42 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.2 | -43.1 | 179.1 | -61.3 | 0 | 0 | 0 | 0 | 112.3 | E51 A52 Q53 I58 K59 | E51-S55 WeakPolarHBondContact O-CB 3.39Å; E51-S55 PolarHBondContact O-N 3.31Å; E51-S55 PolarHBondContact O-OG 3.29Å; A52-S55 WeakPolarHBondContact O-CB 3.35Å; A52-S55 PolarHBondContact O-N 3.42Å; Q53-S55 VanDerWaalsContact C-N 3.29Å; Q53-S55 PolarHBondContact O-N 3.25Å; S55-I58 PolarHBondContact O-N 3.45Å; S55-K59 WeakPolarHBondContact O-CG 3.47Å; S55-K59 PolarHBondContact O-N 2.89Å; S55-K59 VanDerWaalsContact O-N 3.09Å |
| 56 | E | 98.5 | Very high | 97.3 | Very high | 110 Ų | 110 | 104.6 Ų | 104.6 | 51% | 0.514 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.3 | -42.4 | 175.2 | -74.1 | -54.4 | 132.7 | 0 | 0 | 112.4 | A52 Q53 I54 I58 K59 L60 | A52-E56 PolarHBondContact O-N 3Å; Q53-E56 PolarHBondContact O-N 3.4Å; I54-E56 PolarHBondContact O-N 2.98Å; E56-I58 VanDerWaalsContact C-N 3.31Å; E56-I58 PolarHBondContact O-N 3.45Å; E56-K59 WeakPolarHBondContact O-CB 3.47Å; E56-K59 PolarHBondContact O-N 3.32Å; E56-K59 IonicContact OE1-NZ 2.73Å; E56-K59 PolarHBondContact OE1-NZ 2.98Å; E56-L60 PolarHBondContact O-N 3.44Å |
| 57 | L | 98.5 | Very high | 96.9 | Very high | 113 Ų | 113 | 102.9 Ų | 102.9 | 59% | 0.592 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.3 | -38.3 | 175.3 | -71.5 | 172.8 | 0 | 0 | 0 | 112.2 | Q53 I54 L60 K61 | Q53-L57 WeakPolarHBondContact O-CG 3.29Å; Q53-L57 PolarHBondContact O-N 3.06Å; I54-L57 PolarHBondContact O-N 2.87Å; L57-L60 PolarHBondContact O-N 3.35Å; L57-K61 WeakPolarHBondContact O-CB 3.45Å; L57-K61 PolarHBondContact O-N 2.95Å |
| 58 | I | 98.3 | Very high | 96.3 | Very high | 67 Ų | 67 | 103.5 Ų | 103.5 | 34% | 0.344 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.8 | -43.6 | 174.8 | -70.3 | 166.4 | 0 | 0 | 0 | 110.9 | I54 S55 E56 K61 R62 | I54-I58 HydrophobicContact CG2-CD1 3.85Å; I54-I58 HydrophobicContact CG2-CG1 4.48Å; I54-I58 VanDerWaalsContact O-CG1 3.29Å; I54-I58 WeakPolarHBondContact O-CG1 3.45Å; I54-I58 PolarHBondContact O-N 3.46Å; S55-I58 PolarHBondContact O-N 3.45Å; E56-I58 VanDerWaalsContact C-N 3.31Å; E56-I58 PolarHBondContact O-N 3.45Å; I58-K61 PolarHBondContact O-N 2.73Å; I58-R62 WeakPolarHBondContact O-CG 3.35Å; I58-R62 PolarHBondContact O-N 2.99Å |
| 59 | K | 98.2 | Very high | 95.7 | Very high | 119 Ų | 119 | 102.7 Ų | 102.7 | 52% | 0.517 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.3 | -47.4 | 176 | -69.1 | 174 | -170.7 | 169.6 | 0 | 111.1 | S55 E56 K61 R62 A63 | S55-K59 WeakPolarHBondContact O-CG 3.47Å; S55-K59 PolarHBondContact O-N 2.89Å; S55-K59 VanDerWaalsContact O-N 3.09Å; E56-K59 WeakPolarHBondContact O-CB 3.47Å; E56-K59 PolarHBondContact O-N 3.32Å; E56-K59 IonicContact OE1-NZ 2.73Å; E56-K59 PolarHBondContact OE1-NZ 2.98Å; K59-K61 PolarHBondContact O-N 3.48Å; K59-R62 PolarHBondContact O-N 3.29Å; K59-A63 PolarHBondContact O-N 3.29Å |
| 60 | L | 98.2 | Very high | 94.9 | Very high | 117 Ų | 117 | 102.4 Ų | 102.4 | 61% | 0.613 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.3 | -43.8 | 178.9 | -176.3 | 63.4 | 0 | 0 | 0 | 111.8 | E56 L57 R62 A63 L64 | E56-L60 PolarHBondContact O-N 3.44Å; L57-L60 PolarHBondContact O-N 3.35Å; L60-R62 VanDerWaalsContact C-N 3.34Å; L60-R62 PolarHBondContact O-N 2.92Å; L60-A63 PolarHBondContact O-N 3.19Å; L60-L64 WeakPolarHBondContact O-CB 3.34Å; L60-L64 PolarHBondContact O-N 3.4Å |
| 61 | K | 97.2 | Very high | 93.9 | Very high | 128 Ų | 128 | 107 Ų | 107 | 56% | 0.557 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -57.1 | -47 | 174.8 | -175.9 | -173.9 | 71.2 | 172.2 | 0 | 111.4 | L57 I58 K59 L64 I65 | L57-K61 WeakPolarHBondContact O-CB 3.45Å; L57-K61 PolarHBondContact O-N 2.95Å; I58-K61 PolarHBondContact O-N 2.73Å; K59-K61 PolarHBondContact O-N 3.48Å; K61-L64 PolarHBondContact O-N 2.94Å; K61-I65 HydrophobicContact CG-CD1 4.1Å; K61-I65 WeakPolarHBondContact O-CG1 3.05Å; K61-I65 PolarHBondContact O-N 3.44Å |
| 62 | R | 96.9 | Very high | 92.5 | Very high | 161 Ų | 161 | 104.1 Ų | 104.1 | 61% | 0.608 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.3 | -45.2 | 178.1 | -73.9 | 177.3 | 178.9 | 170.2 | 0.9 | 111.7 | I58 K59 L60 L64 I65 Q66 | I58-R62 WeakPolarHBondContact O-CG 3.35Å; I58-R62 PolarHBondContact O-N 2.99Å; K59-R62 PolarHBondContact O-N 3.29Å; L60-R62 VanDerWaalsContact C-N 3.34Å; L60-R62 PolarHBondContact O-N 2.92Å; R62-L64 VanDerWaalsContact C-N 3.32Å; R62-L64 PolarHBondContact O-N 3.09Å; R62-I65 PolarHBondContact O-N 3.35Å; R62-Q66 WeakPolarHBondContact O-CG 3.31Å; R62-Q66 PolarHBondContact O-N 3.46Å |
| 63 | A | 95.7 | Very high | 90.7 | Very high | 49 Ų | 49 | 105.6 Ų | 105.6 | 41% | 0.405 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.7 | -39.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | K59 L60 Q66 R67 | K59-A63 PolarHBondContact O-N 3.29Å; L60-A63 PolarHBondContact O-N 3.19Å; A63-Q66 PolarHBondContact O-N 3.21Å; A63-R67 VanDerWaalsContact O-CB 3.31Å; A63-R67 WeakPolarHBondContact O-CB 3.32Å; A63-R67 PolarHBondContact O-N 3.05Å |
| 64 | L | 95.5 | Very high | 88.6 | Confident | 99 Ų | 99 | 111.7 Ų | 111.7 | 52% | 0.518 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65 | -44.1 | 176 | -177.9 | 62.5 | 0 | 0 | 0 | 111.8 | L60 K61 R62 R67 L68 | L60-L64 WeakPolarHBondContact O-CB 3.34Å; L60-L64 PolarHBondContact O-N 3.4Å; K61-L64 PolarHBondContact O-N 2.94Å; R62-L64 VanDerWaalsContact C-N 3.32Å; R62-L64 PolarHBondContact O-N 3.09Å; L64-R67 PolarHBondContact O-N 2.91Å; L64-L68 HydrophobicContact CD1-CD1 4.46Å; L64-L68 HydrophobicContact CD1-CG 4.43Å; L64-L68 HydrophobicContact CG-CD1 4.16Å; L64-L68 WeakPolarHBondContact O-CG 3.48Å; L64-L68 PolarHBondContact O-N 3.44Å |
| 65 | I | 91.6 | Very high | 86.5 | Confident | 86 Ų | 86 | 114.8 Ų | 114.8 | 44% | 0.441 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -59.9 | -48.7 | 175.5 | -69.4 | 166.3 | 0 | 0 | 0 | 110.4 | K61 R62 R67 L68 L69 | K61-I65 HydrophobicContact CG-CD1 4.1Å; K61-I65 WeakPolarHBondContact O-CG1 3.05Å; K61-I65 PolarHBondContact O-N 3.44Å; R62-I65 PolarHBondContact O-N 3.35Å; I65-R67 VanDerWaalsContact C-N 3.28Å; I65-R67 PolarHBondContact O-N 2.96Å; I65-L68 PolarHBondContact O-N 3.2Å; I65-L69 HydrophobicContact CG2-CD1 3.88Å; I65-L69 HydrophobicContact CG2-CG 4.31Å; I65-L69 WeakPolarHBondContact O-CB 3.41Å; I65-L69 VanDerWaalsContact O-CG 3.32Å; I65-L69 WeakPolarHBondContact O-CG 3.43Å; I65-L69 PolarHBondContact O-N 3.39Å |
| 66 | Q | 91.2 | Very high | 84.5 | Confident | 138 Ų | 138 | 118.9 Ų | 118.9 | 65% | 0.645 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -58.7 | -42 | 177.2 | -73.8 | 175.9 | -27.4 | 0 | 0 | 111.9 | R62 A63 L69 S70 | R62-Q66 WeakPolarHBondContact O-CG 3.31Å; R62-Q66 PolarHBondContact O-N 3.46Å; A63-Q66 PolarHBondContact O-N 3.21Å; Q66-L69 PolarHBondContact O-N 3.36Å; Q66-S70 PolarHBondContact O-N 3.28Å |
| 67 | R | 89 | Confident | 82.6 | Confident | 155 Ų | 155 | 120.4 Ų | 120.4 | 59% | 0.585 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -63.7 | -45.3 | 176.3 | -176.9 | 169.7 | -172.6 | 153.7 | 3.8 | 111.6 | A63 L64 I65 S70 Y71 | A63-R67 VanDerWaalsContact O-CB 3.31Å; A63-R67 WeakPolarHBondContact O-CB 3.32Å; A63-R67 PolarHBondContact O-N 3.05Å; L64-R67 PolarHBondContact O-N 2.91Å; I65-R67 VanDerWaalsContact C-N 3.28Å; I65-R67 PolarHBondContact O-N 2.96Å; R67-S70 PolarHBondContact O-N 3.03Å; R67-S70 PolarHBondContact O-OG 3.3Å; R67-Y71 HydrophobicContact CG-CD2 4.24Å; R67-Y71 HydrophobicContact CG-CE2 3.66Å; R67-Y71 WeakPolarHBondContact O-CD2 3.41Å; R67-Y71 PolarHBondContact O-N 2.87Å |
| 68 | L | 86.8 | Confident | 80.7 | Confident | 109 Ų | 109 | 118.6 Ų | 118.6 | 57% | 0.571 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -62.3 | -44.6 | 176.5 | -73.1 | 170.2 | 0 | 0 | 0 | 111.5 | L64 I65 S70 Y71 G72 | L64-L68 HydrophobicContact CD1-CD1 4.46Å; L64-L68 HydrophobicContact CD1-CG 4.43Å; L64-L68 HydrophobicContact CG-CD1 4.16Å; L64-L68 WeakPolarHBondContact O-CG 3.48Å; L64-L68 PolarHBondContact O-N 3.44Å; I65-L68 PolarHBondContact O-N 3.2Å; L68-S70 PolarHBondContact O-N 2.85Å; L68-Y71 CarbonylContact O-C 3.6Å; L68-Y71 PolarHBondContact O-N 2.64Å; L68-G72 PolarHBondContact O-N 3.21Å |
| 69 | L | 84.5 | Confident | 78.8 | Confident | 125 Ų | 125 | 121 Ų | 121 | 65% | 0.654 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -60.6 | -32.7 | 175.2 | -70.2 | 172.7 | 0 | 0 | 0 | 112.5 | I65 Q66 Y71 G72 | I65-L69 HydrophobicContact CG2-CD1 3.88Å; I65-L69 HydrophobicContact CG2-CG 4.31Å; I65-L69 WeakPolarHBondContact O-CB 3.41Å; I65-L69 VanDerWaalsContact O-CG 3.32Å; I65-L69 WeakPolarHBondContact O-CG 3.43Å; I65-L69 PolarHBondContact O-N 3.39Å; Q66-L69 PolarHBondContact O-N 3.36Å; L69-Y71 PolarHBondContact O-N 2.95Å; L69-G72 PolarHBondContact O-N 3.09Å; L69-G72 VanDerWaalsContact O-N 3.15Å |
| 70 | S | 81.4 | Confident | 77.3 | Confident | 91 Ų | 91 | 122.2 Ų | 122.2 | 64% | 0.636 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -69.4 | -21.2 | 175.6 | 75.7 | 0 | 0 | 0 | 0 | 114.2 | Q66 R67 L68 | Q66-S70 PolarHBondContact O-N 3.28Å; R67-S70 PolarHBondContact O-N 3.03Å; R67-S70 PolarHBondContact O-OG 3.3Å; L68-S70 PolarHBondContact O-N 2.85Å |
| 71 | Y | 79 | Confident | 76 | Confident | 166 Ų | 166 | 125 Ų | 125 | 65% | 0.651 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -93.4 | -16.9 | 170.9 | -64.9 | -70 | 0 | 0 | 0 | 112.5 | R67 L68 L69 D73 | R67-Y71 HydrophobicContact CG-CD2 4.24Å; R67-Y71 HydrophobicContact CG-CE2 3.66Å; R67-Y71 WeakPolarHBondContact O-CD2 3.41Å; R67-Y71 PolarHBondContact O-N 2.87Å; L68-Y71 CarbonylContact O-C 3.6Å; L68-Y71 PolarHBondContact O-N 2.64Å; L69-Y71 PolarHBondContact O-N 2.95Å; Y71-D73 PolarHBondContact O-N 2.84Å |
| 72 | G | 67.8 | Low | 74.5 | Confident | 41 Ų | 41 | 125.8 Ų | 125.8 | 42% | 0.423 | 63% | 0.629 | S | S | . | * | S | Bend | trans | -64.7 | 104.2 | 176 | 0 | 0 | 0 | 0 | 0 | 110.8 | L68 L69 | L68-G72 PolarHBondContact O-N 3.21Å; L69-G72 PolarHBondContact O-N 3.09Å; L69-G72 VanDerWaalsContact O-N 3.15Å |
| 73 | D | 60.2 | Low | 73.3 | Confident | 85 Ų | 85 | 122.3 Ų | 122.3 | 46% | 0.455 | 63% | 0.627 | S | S | . | * | trans | 73.9 | 47.4 | 136.3 | -58 | -23.6 | 0 | 0 | 0 | 119.1 | Y71 F75 M76 | Y71-D73 PolarHBondContact O-N 2.84Å; D73-F75 PolarHBondContact O-N 3.06Å; D73-M76 HydrophobicContact CB-CB 3.67Å; D73-M76 HydrophobicContact CB-CG 3.36Å; D73-M76 WeakPolarHBondContact OD1-CG 3.2Å; D73-M76 WeakPolarHBondContact OD2-CG 3.4Å | ||
| 74 | R | 55.6 | Low | 72.1 | Confident | 235 Ų | 235 | 127.9 Ų | 127.9 | 89% | 0.887 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.9 | -18.2 | 143.2 | -80.3 | -169.7 | -76.3 | -155.9 | -2.5 | 112.6 | V78 | R74-V78 WeakPolarHBondContact O-CG2 3.43Š|
| 75 | F | 53.3 | Low | 70.5 | Confident | 157 Ų | 157 | 127.6 Ų | 127.6 | 69% | 0.689 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | -23.3 | -178.2 | -132.4 | -88.6 | 0 | 0 | 0 | 114.2 | D73 D77 V78 | D73-F75 PolarHBondContact O-N 3.06Å; F75-D77 VanDerWaalsContact C-N 3.33Å; F75-V78 PolarHBondContact O-N 3.15Å |
| 76 | M | 57.7 | Low | 69.1 | Low | 145 Ų | 145 | 130.7 Ų | 130.7 | 71% | 0.714 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | -21.8 | 177.6 | -60 | -78 | -92.4 | 0 | 0 | 112.6 | D73 V78 | D73-M76 HydrophobicContact CB-CB 3.67Å; D73-M76 HydrophobicContact CB-CG 3.36Å; D73-M76 WeakPolarHBondContact OD1-CG 3.2Å; D73-M76 WeakPolarHBondContact OD2-CG 3.4Å; M76-V78 VanDerWaalsContact C-N 3.28Å |
| 77 | D | 59.2 | Low | 67.4 | Low | 143 Ų | 143 | 130.4 Ų | 130.4 | 77% | 0.765 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -7.6 | 173.1 | -66 | -23.8 | 0 | 0 | 0 | 112.6 | F75 C79 | F75-D77 VanDerWaalsContact C-N 3.33Å; D77-C79 PolarHBondContact O-N 2.98Å |
| 78 | V | 58.2 | Low | 66 | Low | 75 Ų | 75 | 127.1 Ų | 127.1 | 46% | 0.455 | 69% | 0.685 | S | S | . | * | trans | -82.4 | 97.7 | 172.9 | -177.1 | 0 | 0 | 0 | 0 | 107.7 | R74 F75 M76 L80 | R74-V78 WeakPolarHBondContact O-CG2 3.43Å; F75-V78 PolarHBondContact O-N 3.15Å; M76-V78 VanDerWaalsContact C-N 3.28Å; V78-L80 HydrophobicContact CG1-CD2 4.35Å; V78-L80 PolarHBondContact O-N 3.37Å | ||
| 79 | C | 58.1 | Low | 64.6 | Low | 118 Ų | 118 | 125 Ų | 125 | 80% | 0.797 | 68% | 0.684 | S | S | * | * | trans | -57.1 | 104.8 | 159.3 | -65.1 | 0 | 0 | 0 | 0 | 107.4 | D77 E81 | D77-C79 PolarHBondContact O-N 2.98Å; C79-E81 PolarHBondContact O-N 2.93Å | ||
| 80 | L | 67.3 | Low | 63.3 | Low | 143 Ų | 143 | 122.8 Ų | 122.8 | 75% | 0.749 | 67% | 0.671 | S | S | * | * | trans | -67.8 | 87.9 | 164 | -67.5 | 173.4 | 0 | 0 | 0 | 106.6 | V78 I82 | V78-L80 HydrophobicContact CG1-CD2 4.35Å; V78-L80 PolarHBondContact O-N 3.37Å; L80-I82 PolarHBondContact O-N 3.36Å | ||
| 81 | E | 69 | Low | 62.3 | Low | 176 Ų | 176 | 123.1 Ų | 123.1 | 82% | 0.822 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 119.1 | 167.4 | -168.6 | 169.3 | -167.7 | 0 | 0 | 107.2 | C79 P83 | C79-E81 PolarHBondContact O-N 2.93Å; E81-P83 WeakPolarHBondContact O-CD 3.39Å |
| 82 | I | 66.8 | Low | 61.5 | Low | 145 Ų | 145 | 122.8 Ų | 122.8 | 74% | 0.744 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 116.7 | 169.3 | -58.9 | 174.7 | 0 | 0 | 0 | 104.9 | L80 D84 | L80-I82 PolarHBondContact O-N 3.36Å; I82-D84 PolarHBondContact O-N 3.23Å |
| 83 | P | 72 | Confident | 61.1 | Low | 87 Ų | 87 | 126 Ų | 126 | 57% | 0.565 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 128.9 | 176 | 23.2 | -30 | 0 | 0 | 0 | 108.4 | E81 L85 | E81-P83 WeakPolarHBondContact O-CD 3.39Å; P83-L85 HydrophobicContact CB-CG 4.41Å; P83-L85 HydrophobicContact CG-CD1 4Å; P83-L85 HydrophobicContact CG-CG 4.32Å; P83-L85 PolarHBondContact O-N 3.41Å |
| 84 | D | 69.1 | Low | 61.3 | Low | 167 Ų | 167 | 127 Ų | 127 | 89% | 0.893 | 68% | 0.683 | S | S | * | * | trans | -64.5 | 81.2 | 169.3 | -75.8 | -26.7 | 0 | 0 | 0 | 107.8 | I82 E86 | I82-D84 PolarHBondContact O-N 3.23Å; D84-E86 PolarHBondContact O-N 3.19Å; D84-E86 VanDerWaalsContact O-N 3.12Å | ||
| 85 | L | 62 | Low | 61.7 | Low | 93 Ų | 93 | 119.6 Ų | 119.6 | 49% | 0.487 | 66% | 0.66 | S | S | . | * | trans | -73.5 | 104.4 | 176.3 | -81.6 | 150.4 | 0 | 0 | 0 | 107.3 | P83 A89 | P83-L85 HydrophobicContact CB-CG 4.41Å; P83-L85 HydrophobicContact CG-CD1 4Å; P83-L85 HydrophobicContact CG-CG 4.32Å; P83-L85 PolarHBondContact O-N 3.41Å; L85-A89 HydrophobicContact CD2-CB 3.86Å | ||
| 86 | E | 63.6 | Low | 62.3 | Low | 151 Ų | 151 | 117.2 Ų | 117.2 | 71% | 0.706 | 65% | 0.654 | S | S | * | * | trans | -45 | 135.1 | 156.2 | -78.9 | -69.2 | 162.6 | 0 | 0 | 108.9 | D84 G88 A89 | D84-E86 PolarHBondContact O-N 3.19Å; D84-E86 VanDerWaalsContact O-N 3.12Å; E86-G88 PolarHBondContact O-N 3.17Å; E86-A89 PolarHBondContact O-N 3.39Å | ||
| 87 | P | 55.1 | Low | 62.7 | Low | 132 Ų | 132 | 115.7 Ų | 115.7 | 86% | 0.857 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.2 | 105.5 | -177.4 | -22.7 | 31.6 | 0 | 0 | 0 | 111.2 | ||
| 88 | G | 58.8 | Low | 63 | Low | 85 Ų | 85 | 115 Ų | 115 | 88% | 0.876 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 124.5 | 5.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | E86 | E86-G88 PolarHBondContact O-N 3.17Š|
| 89 | A | 57.7 | Low | 63.2 | Low | 66 Ų | 66 | 115.2 Ų | 115.2 | 55% | 0.545 | 64% | 0.64 | S | S | . | * | S | Bend | trans | -89 | -22.1 | -164.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | L85 E86 | L85-A89 HydrophobicContact CD2-CB 3.86Å; E86-A89 PolarHBondContact O-N 3.39Å |
| 90 | M | 57.4 | Low | 63.4 | Low | 78 Ų | 78 | 111.5 Ų | 111.5 | 38% | 0.384 | 62% | 0.617 | S | S | . | * | trans | -152 | 131.4 | 175.6 | -72.6 | -157.4 | 74.6 | 0 | 0 | 113.8 | E94 | M90-E94 HydrophobicContact CE-CB 3.74Å; M90-E94 HydrophobicContact CE-CG 3.61Å; M90-E94 WeakPolarHBondContact CE-OE2 3.33Å | ||
| 91 | V | 60.7 | Low | 63 | Low | 98 Ų | 98 | 110.2 Ų | 110.2 | 59% | 0.594 | 61% | 0.611 | S | S | * | * | trans | -68.9 | 130.4 | 175.2 | -179.6 | 0 | 0 | 0 | 0 | 108.3 | D93 E94 | V91-D93 HydrophobicContact CG1-CB 4.1Å; V91-D93 PolarHBondContact O-N 3.36Å; V91-E94 PolarHBondContact O-N 3.29Å | ||
| 92 | E | 61.6 | Low | 62.6 | Low | 158 Ų | 158 | 106.2 Ų | 106.2 | 74% | 0.738 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -46.6 | -33 | -177.8 | -65.2 | 167.7 | 167.2 | 0 | 0 | 112.8 | E94 I95 I96 | E92-E94 PolarHBondContact O-N 2.95Å; E92-I95 PolarHBondContact O-N 3.43Å; E92-I96 WeakPolarHBondContact O-CG1 3.31Å; E92-I96 PolarHBondContact O-N 3.25Å |
| 93 | D | 60.2 | Low | 61.9 | Low | 110 Ų | 110 | 106 Ų | 106 | 59% | 0.588 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -63.5 | -34.5 | 178.7 | -63.1 | -24.4 | 0 | 0 | 0 | 114 | V91 I95 I96 D97 | V91-D93 HydrophobicContact CG1-CB 4.1Å; V91-D93 PolarHBondContact O-N 3.36Å; D93-I95 VanDerWaalsContact C-N 3.34Å; D93-I96 PolarHBondContact O-N 3.47Å; D93-D97 PolarHBondContact O-N 2.98Å; D93-D97 VanDerWaalsContact O-N 3.17Å |
| 94 | E | 64.1 | Low | 61 | Low | 105 Ų | 105 | 109.9 Ų | 109.9 | 49% | 0.491 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -79.5 | -22.2 | -177.5 | -157.1 | 174.4 | -167.8 | 0 | 0 | 112.1 | M90 V91 E92 K98 | M90-E94 HydrophobicContact CE-CB 3.74Å; M90-E94 HydrophobicContact CE-CG 3.61Å; M90-E94 WeakPolarHBondContact CE-OE2 3.33Å; V91-E94 PolarHBondContact O-N 3.29Å; E92-E94 PolarHBondContact O-N 2.95Å; E94-K98 WeakPolarHBondContact O-CG 3.48Å; E94-K98 PolarHBondContact O-N 3.44Å |
| 95 | I | 64.3 | Low | 60.4 | Low | 79 Ų | 79 | 106.8 Ų | 106.8 | 41% | 0.405 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -74.3 | -41.8 | 171.3 | -59.8 | 173.8 | 0 | 0 | 0 | 109.6 | E92 D93 K98 V99 | E92-I95 PolarHBondContact O-N 3.43Å; D93-I95 VanDerWaalsContact C-N 3.34Å; I95-K98 PolarHBondContact O-N 3.39Å; I95-V99 HydrophobicContact CG2-CG2 4.49Å; I95-V99 VanDerWaalsContact O-CG2 3.31Å; I95-V99 WeakPolarHBondContact O-CG2 3.47Å; I95-V99 PolarHBondContact O-N 3.07Å; I95-V99 VanDerWaalsContact O-N 3.07Å |
| 96 | I | 65.9 | Low | 59.8 | Low | 108 Ų | 108 | 109 Ų | 109 | 55% | 0.554 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -64.1 | -43.5 | -180 | -66 | 167 | 0 | 0 | 0 | 110.9 | E92 D93 K98 V99 A100 | E92-I96 WeakPolarHBondContact O-CG1 3.31Å; E92-I96 PolarHBondContact O-N 3.25Å; D93-I96 PolarHBondContact O-N 3.47Å; I96-K98 PolarHBondContact O-N 3.31Å; I96-V99 PolarHBondContact O-N 3.45Å; I96-A100 PolarHBondContact O-N 3.25Å |
| 97 | D | 66.1 | Low | 59.1 | Low | 112 Ų | 112 | 106 Ų | 106 | 60% | 0.599 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -62.6 | -41.8 | 177.7 | -87.9 | -3.3 | 0 | 0 | 0 | 112.2 | D93 V99 A100 D101 | D93-D97 PolarHBondContact O-N 2.98Å; D93-D97 VanDerWaalsContact O-N 3.17Å; D97-V99 PolarHBondContact O-N 3.12Å; D97-A100 PolarHBondContact O-N 2.87Å; D97-D101 PolarHBondContact O-N 3.14Å |
| 98 | K | 64.3 | Low | 58.5 | Low | 128 Ų | 128 | 105.2 Ų | 105.2 | 56% | 0.557 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -65.7 | -36.8 | 176.4 | -76 | -178.8 | -179.7 | -178.5 | 0 | 113.1 | E94 I95 I96 V102 | E94-K98 WeakPolarHBondContact O-CG 3.48Å; E94-K98 PolarHBondContact O-N 3.44Å; I95-K98 PolarHBondContact O-N 3.39Å; I96-K98 PolarHBondContact O-N 3.31Å; K98-V102 WeakPolarHBondContact O-CG2 3.5Å; K98-V102 PolarHBondContact O-N 2.85Å |
| 99 | V | 63.4 | Low | 57.9 | Low | 81 Ų | 81 | 107.5 Ų | 107.5 | 49% | 0.491 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -70.8 | -35.6 | 177.6 | 175 | 0 | 0 | 0 | 0 | 110.9 | I95 I96 D97 H103 | I95-V99 HydrophobicContact CG2-CG2 4.49Å; I95-V99 VanDerWaalsContact O-CG2 3.31Å; I95-V99 WeakPolarHBondContact O-CG2 3.47Å; I95-V99 PolarHBondContact O-N 3.07Å; I95-V99 VanDerWaalsContact O-N 3.07Å; I96-V99 PolarHBondContact O-N 3.45Å; D97-V99 PolarHBondContact O-N 3.12Å; V99-H103 PolarHBondContact O-CD2 3.22Å; V99-H103 PolarHBondContact O-N 2.73Å |
| 100 | A | 62.2 | Low | 57.7 | Low | 39 Ų | 39 | 108.9 Ų | 108.9 | 32% | 0.322 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -65.2 | -41.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | I96 D97 V102 H103 F104 | I96-A100 PolarHBondContact O-N 3.25Å; D97-A100 PolarHBondContact O-N 2.87Å; A100-V102 PolarHBondContact O-N 3.19Å; A100-H103 PolarHBondContact O-N 3.07Å; A100-H103 VanDerWaalsContact O-N 3.14Å; A100-F104 WeakPolarHBondContact O-CD2 3Å; A100-F104 PolarHBondContact O-N 3.45Å |
| 101 | D | 58.3 | Low | 57.1 | Low | 116 Ų | 116 | 111.5 Ų | 111.5 | 62% | 0.62 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -67.4 | -33.4 | -179.9 | -77.3 | -20.2 | 0 | 0 | 0 | 113.5 | D97 H103 T105 | D97-D101 PolarHBondContact O-N 3.14Å; D101-H103 VanDerWaalsContact C-N 3.32Å; D101-T105 WeakPolarHBondContact O-CG2 3.39Å; D101-T105 PolarHBondContact O-OG1 3.28Å; D101-T105 VanDerWaalsContact O-OG1 3.14Å |
| 102 | V | 60.3 | Low | 56.4 | Low | 93 Ų | 93 | 111.5 Ų | 111.5 | 56% | 0.564 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -71.5 | -29.7 | 173.6 | 177.1 | 0 | 0 | 0 | 0 | 111.4 | K98 A100 | K98-V102 WeakPolarHBondContact O-CG2 3.5Å; K98-V102 PolarHBondContact O-N 2.85Å; A100-V102 PolarHBondContact O-N 3.19Å |
| 103 | H | 54 | Low | 55.9 | Low | 141 Ų | 141 | 113.2 Ų | 113.2 | 65% | 0.653 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -76.9 | -27 | -178.4 | -101.6 | -80.1 | 0 | 0 | 0 | 114.4 | V99 A100 D101 | V99-H103 PolarHBondContact O-CD2 3.22Å; V99-H103 PolarHBondContact O-N 2.73Å; A100-H103 PolarHBondContact O-N 3.07Å; A100-H103 VanDerWaalsContact O-N 3.14Å; D101-H103 VanDerWaalsContact C-N 3.32Å |
| 104 | F | 52.8 | Low | 55.3 | Low | 168 Ų | 168 | 119.6 Ų | 119.6 | 74% | 0.737 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -89.1 | -26.3 | -179.9 | -83.7 | -81.4 | 0 | 0 | 0 | 114.4 | A100 S107 | A100-F104 WeakPolarHBondContact O-CD2 3Å; A100-F104 PolarHBondContact O-N 3.45Å; F104-S107 PolarHBondContact O-N 3.45Å |
| 105 | T | 54.8 | Low | 54.7 | Low | 101 Ų | 101 | 123 Ų | 123 | 62% | 0.62 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -81.2 | -16.7 | -174.6 | 51.7 | 0 | 0 | 0 | 0 | 114.7 | D101 | D101-T105 WeakPolarHBondContact O-CG2 3.39Å; D101-T105 PolarHBondContact O-OG1 3.28Å; D101-T105 VanDerWaalsContact O-OG1 3.14Å |
| 106 | N | 51.1 | Low | 53.9 | Low | 139 Ų | 139 | 130.8 Ų | 130.8 | 74% | 0.743 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.6 | 3.9 | 172.9 | -73.8 | -31.9 | 0 | 0 | 0 | 113.8 | T108 | N106-T108 VanDerWaalsContact C-N 3.28Å; N106-T108 PolarHBondContact O-N 3.14Å |
| 107 | S | 48.4 | Very low | 53.1 | Low | 90 Ų | 90 | 130.2 Ų | 130.2 | 63% | 0.629 | 69% | 0.691 | S | S | * | * | trans | -90.8 | 46.4 | 177.7 | -170 | 0 | 0 | 0 | 0 | 112.3 | F104 | F104-S107 PolarHBondContact O-N 3.45Š| ||
| 108 | T | 43.1 | Very low | 52.4 | Low | 114 Ų | 114 | 133.4 Ų | 133.4 | 70% | 0.699 | 70% | 0.703 | S | S | * | * | trans | -142.5 | 81.3 | 171.9 | 55 | 0 | 0 | 0 | 0 | 112.3 | N106 | N106-T108 VanDerWaalsContact C-N 3.28Å; N106-T108 PolarHBondContact O-N 3.14Å | ||
| 109 | T | 45.7 | Very low | 51.5 | Low | 133 Ų | 133 | 136.2 Ų | 136.2 | 82% | 0.816 | 72% | 0.715 | S | S | * | * | trans | -151.3 | 86.2 | 142.1 | 36.1 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 110 | S | 52.8 | Low | 50.6 | Low | 95 Ų | 95 | 137.1 Ų | 137.1 | 66% | 0.664 | 73% | 0.725 | S | S | * | * | 81.9 | 95.9 | 99.3 | 67.8 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 111 | T | 44.8 | Very low | 50.2 | Low | 134 Ų | 134 | 140.9 Ų | 140.9 | 82% | 0.822 | 75% | 0.749 | S | S | * | * | trans | 65.5 | 73.7 | 134.9 | 61.2 | 0 | 0 | 0 | 0 | 118.4 | K113 | T111-K113 PolarHBondContact O-N 3.25Š| ||
| 112 | A | 46.6 | Very low | 49.7 | Very low | 98 Ų | 98 | 143 Ų | 143 | 81% | 0.81 | 76% | 0.76 | S | S | * | * | trans | -73.8 | 96.3 | 147.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | R114 | A112-R114 VanDerWaalsContact C-N 3.26Å; A112-R114 PolarHBondContact O-N 2.91Å | ||
| 113 | K | 50.4 | Low | 49.1 | Very low | 193 Ų | 193 | 143.4 Ų | 143.4 | 84% | 0.839 | 77% | 0.773 | S | S | * | * | trans | -64.4 | 85.8 | 171.6 | -135.6 | 176.5 | -172.8 | 175.9 | 0 | 108.7 | T111 Q115 | T111-K113 PolarHBondContact O-N 3.25Å; K113-Q115 VanDerWaalsContact C-N 3.34Å; K113-Q115 PolarHBondContact O-N 3.43Å; K113-Q115 VanDerWaalsContact O-N 3.09Å | ||
| 114 | R | 48.4 | Very low | 49 | Very low | 245 Ų | 245 | 142.1 Ų | 142.1 | 93% | 0.925 | 78% | 0.78 | S | S | * | * | trans | -70.8 | 90.2 | 163.8 | -94.1 | 176.1 | 142.1 | -167.8 | -2.8 | 107.8 | A112 | A112-R114 VanDerWaalsContact C-N 3.26Å; A112-R114 PolarHBondContact O-N 2.91Å | ||
| 115 | Q | 51.2 | Low | 49.3 | Very low | 176 Ų | 176 | 144.1 Ų | 144.1 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | trans | -92.8 | 98.3 | 162.8 | -128.6 | -178.5 | -8.1 | 0 | 0 | 108.3 | K113 | K113-Q115 VanDerWaalsContact C-N 3.34Å; K113-Q115 PolarHBondContact O-N 3.43Å; K113-Q115 VanDerWaalsContact O-N 3.09Å | ||
| 116 | R | 46.8 | Very low | 49.5 | Very low | 243 Ų | 243 | 148.5 Ų | 148.5 | 92% | 0.917 | 80% | 0.799 | S | S | * | * | trans | -100.6 | 104.8 | 166.6 | -176.8 | -177.1 | -173.5 | -176.3 | 1.8 | 106 | ||||
| 117 | S | 50.1 | Low | 49.7 | Very low | 96 Ų | 96 | 148.1 Ų | 148.1 | 67% | 0.671 | 80% | 0.804 | S | S | * | * | trans | -142.7 | 99.7 | 160.1 | 68 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 118 | E | 50.1 | Low | 50 | Low | 178 Ų | 178 | 148.3 Ų | 148.3 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | 73.7 | 117.6 | 91.3 | -74 | -165.1 | 174.6 | 0 | 0 | 114.2 | |||||
| 119 | K | 45.7 | Very low | 50.1 | Low | 187 Ų | 187 | 146.2 Ų | 146.2 | 81% | 0.813 | 81% | 0.812 | S | S | * | * | trans | 95.5 | 89.4 | 137.3 | -141.4 | 152.8 | -172.8 | 169.7 | 0 | 119.7 | ||||
| 120 | S | 44.9 | Very low | 50.3 | Low | 100 Ų | 100 | 145.7 Ų | 145.7 | 70% | 0.699 | 81% | 0.814 | S | S | * | * | 17.6 | 124.5 | 125.9 | 65 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 121 | S | 53.5 | Low | 50.4 | Low | 119 Ų | 119 | 145.9 Ų | 145.9 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | -168.4 | 129.2 | 116.6 | 54.1 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 122 | N | 48.5 | Very low | 50.8 | Low | 159 Ų | 159 | 146 Ų | 146 | 85% | 0.85 | 81% | 0.811 | S | S | * | * | trans | -44.6 | 140.5 | 168.5 | -74.7 | -31.3 | 0 | 0 | 0 | 113.8 | ||||
| 123 | A | 48 | Very low | 51.3 | Low | 102 Ų | 102 | 147.4 Ų | 147.4 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | trans | -147.4 | 79.1 | 148.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | K125 | A123-K125 PolarHBondContact O-N 3.31Š| ||
| 124 | S | 52.1 | Low | 51 | Low | 114 Ų | 114 | 144.2 Ų | 144.2 | 80% | 0.797 | 81% | 0.812 | S | S | * | * | trans | -62.2 | 124.1 | 155.6 | -57.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 125 | K | 57.4 | Low | 51.6 | Low | 210 Ų | 210 | 136.3 Ų | 136.3 | 91% | 0.913 | 81% | 0.806 | S | S | * | * | trans | -143 | 111.2 | 152.9 | -111.7 | 174.6 | 177 | 176 | 0 | 110.3 | A123 | A123-K125 PolarHBondContact O-N 3.31Š| ||
| 126 | K | 59.1 | Low | 51.3 | Low | 193 Ų | 193 | 135.6 Ų | 135.6 | 84% | 0.839 | 85% | 0.846 | S | S | * | * | trans | -38.7 | 149.4 | 172.1 | -70.5 | 169.8 | 166.3 | 178.2 | 0 | 114.2 | ||||
| 127 | P | 56 | Low | 51.6 | Low | 131 Ų | 131 | 130.2 Ų | 130.2 | 85% | 0.851 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 119.8 | 133.3 | 31.5 | -22 | 0 | 0 | 0 | 108.6 | G129 | P127-G129 PolarHBondContact O-N 3.41Š|
| 128 | A | 55.1 | Low | 51.6 | Low | 95 Ų | 95 | 132 Ų | 132 | 79% | 0.785 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 118.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||
| 129 | G | 44.3 | Very low | 51.7 | Low | 69 Ų | 69 | 129.4 Ų | 129.4 | 71% | 0.711 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 129.6 | 149.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | P127 | P127-G129 PolarHBondContact O-N 3.41Š|
| 130 | S | 51.5 | Low | 52.1 | Low | 122 Ų | 122 | 126.1 Ų | 126.1 | 85% | 0.853 | 86% | 0.855 | S | S | * | * | trans | -156.7 | 123.2 | 146.8 | -87.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 131 | S | 53.6 | Low | 52.5 | Low | 99 Ų | 99 | 127.7 Ų | 127.7 | 69% | 0.692 | 86% | 0.864 | S | S | * | * | trans | -48 | 153.6 | 163.2 | 46.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 132 | N | 54.2 | Low | 52.5 | Low | 138 Ų | 138 | 128.3 Ų | 128.3 | 74% | 0.738 | 87% | 0.866 | S | S | * | * | -171.7 | 111.3 | 119.3 | -90.6 | -2.2 | 0 | 0 | 0 | 109.3 | |||||
| 133 | T | 57.4 | Low | 52.8 | Low | 127 Ų | 127 | 126.1 Ų | 126.1 | 78% | 0.779 | 87% | 0.868 | S | S | * | * | 88.9 | 104.3 | 101.7 | 59 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 134 | S | 43.1 | Very low | 53.1 | Low | 126 Ų | 126 | 127.9 Ų | 127.9 | 88% | 0.881 | 87% | 0.87 | S | S | * | * | trans | -69.5 | 135.7 | 150.4 | 50.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 135 | G | 60.6 | Low | 53.2 | Low | 79 Ų | 79 | 129.1 Ų | 129.1 | 81% | 0.814 | 88% | 0.876 | S | S | * | * | trans | -179 | 120.5 | 164.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 136 | G | 46.2 | Very low | 52.8 | Low | 160 Ų | 160 | 121.7 Ų | 121.7 | 100% | 1.649 | 87% | 0.872 | S | S | * | * | trans | 97.6 | 0 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.2 |
Retrieved 136 of 136 residues in 28.8 ms
(Link to these results)