| 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 | 43.9 | Very low | 61.6 | Low | 241 Ų | 241 | 126.8 Ų | 126.8 | 100% | 1.187 | 64% | 0.644 | S | S | * | * | 0 | 98.2 | 0 | -79.7 | 174.7 | 164.9 | 0 | 0 | 107.7 | L3 | M1-L3 PolarHBondContact O-N 2.95Š| |||
| 2 | A | 45.1 | Very low | 62.6 | Low | 89 Ų | 89 | 121.1 Ų | 121.1 | 74% | 0.736 | 63% | 0.631 | S | S | * | * | trans | -94 | 85.6 | -164.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 3 | L | 53.3 | Low | 63.9 | Low | 138 Ų | 138 | 123.2 Ų | 123.2 | 72% | 0.723 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -93.2 | 5 | 176.4 | -74.5 | 169 | 0 | 0 | 0 | 113.5 | M1 | M1-L3 PolarHBondContact O-N 2.95Š|
| 4 | Y | 47 | Very low | 65 | Low | 215 Ų | 215 | 123.7 Ų | 123.7 | 84% | 0.843 | 63% | 0.626 | S | S | * | * | trans | -137.5 | 41.1 | -173.5 | -69.1 | -83.7 | 0 | 0 | 0 | 112.4 | ||||
| 5 | S | 53.6 | Low | 65.5 | Low | 39 Ų | 39 | 123.7 Ų | 123.7 | 27% | 0.273 | 62% | 0.623 | S | S | . | * | trans | -71.1 | 143.2 | 165.7 | 65.7 | 0 | 0 | 0 | 0 | 109.2 | E7 N8 | S5-E7 PolarHBondContact O-N 3.28Å; S5-E7 VanDerWaalsContact O-N 3.16Å; S5-N8 PolarHBondContact O-N 3.32Å; S5-N8 VanDerWaalsContact O-N 3.08Å; S5-N8 PolarHBondContact OG-N 3.28Å | ||
| 6 | K | 70.7 | Confident | 65.6 | Low | 161 Ų | 161 | 119.3 Ų | 119.3 | 70% | 0.7 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -54.6 | -31.8 | 176.8 | -174.3 | -177.7 | 174.3 | -61.7 | 0 | 111.9 | V9 D10 | K6-V9 PolarHBondContact O-N 3.25Å; K6-D10 IonicContact NZ-OD2 3.6Å; K6-D10 PolarHBondContact NZ-OD2 3.25Å; K6-D10 PolarHBondContact O-N 3.21Å |
| 7 | E | 68.9 | Low | 65.8 | Low | 152 Ų | 152 | 117.4 Ų | 117.4 | 71% | 0.71 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -65.5 | -40.7 | 177.7 | -68.4 | 154.7 | -177.4 | 0 | 0 | 112.4 | S5 V9 D10 E11 | S5-E7 PolarHBondContact O-N 3.28Å; S5-E7 VanDerWaalsContact O-N 3.16Å; E7-V9 VanDerWaalsContact C-N 3.3Å; E7-V9 PolarHBondContact O-N 3.23Å; E7-D10 PolarHBondContact O-N 3.33Å; E7-E11 WeakPolarHBondContact O-CB 3Å; E7-E11 PolarHBondContact O-N 3.39Å |
| 8 | N | 72 | Confident | 66 | Low | 84 Ų | 84 | 116.3 Ų | 116.3 | 45% | 0.449 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -66.2 | -31.6 | 177.7 | -100.3 | 34.7 | 0 | 0 | 0 | 113 | S5 A12 | S5-N8 PolarHBondContact O-N 3.32Å; S5-N8 VanDerWaalsContact O-N 3.08Å; S5-N8 PolarHBondContact OG-N 3.28Å; N8-A12 WeakPolarHBondContact O-CB 3.5Å; N8-A12 PolarHBondContact O-N 3.43Å; N8-A12 VanDerWaalsContact O-N 3.14Å |
| 9 | V | 70.3 | Confident | 65.6 | Low | 91 Ų | 91 | 113.6 Ų | 113.6 | 55% | 0.552 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -75.6 | -39.8 | 178.6 | -179.1 | 0 | 0 | 0 | 0 | 110.7 | K6 E7 Y13 | K6-V9 PolarHBondContact O-N 3.25Å; E7-V9 VanDerWaalsContact C-N 3.3Å; E7-V9 PolarHBondContact O-N 3.23Å; V9-Y13 WeakPolarHBondContact O-CB 3.48Å; V9-Y13 PolarHBondContact O-N 3.04Å; V9-Y13 VanDerWaalsContact O-N 3.08Å |
| 10 | D | 75.9 | Confident | 64.9 | Low | 76 Ų | 76 | 114.2 Ų | 114.2 | 41% | 0.406 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -68.4 | -36 | 176.9 | -75.9 | -29.9 | 0 | 0 | 0 | 111.2 | K6 E7 Y13 Q14 | K6-D10 IonicContact NZ-OD2 3.6Å; K6-D10 PolarHBondContact NZ-OD2 3.25Å; K6-D10 PolarHBondContact O-N 3.21Å; E7-D10 PolarHBondContact O-N 3.33Å; D10-Y13 PolarHBondContact O-N 3.36Å; D10-Q14 WeakPolarHBondContact O-CG 3.28Å; D10-Q14 PolarHBondContact O-N 3.12Å; D10-Q14 VanDerWaalsContact O-N 3.11Å |
| 11 | E | 76.9 | Confident | 64.2 | Low | 109 Ų | 109 | 112.1 Ų | 112.1 | 51% | 0.509 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -70 | -42.6 | 175.6 | -167.1 | 174 | -172.1 | 0 | 0 | 112.7 | E7 Y13 Q14 Q15 | E7-E11 WeakPolarHBondContact O-CB 3Å; E7-E11 PolarHBondContact O-N 3.39Å; E11-Y13 VanDerWaalsContact C-N 3.3Å; E11-Y13 PolarHBondContact O-N 3.3Å; E11-Q14 PolarHBondContact O-N 3.49Å; E11-Q15 WeakPolarHBondContact O-CG 3.49Å; E11-Q15 PolarHBondContact O-N 3.04Å |
| 12 | A | 73.5 | Confident | 64.5 | Low | 58 Ų | 58 | 105.4 Ų | 105.4 | 48% | 0.479 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -63.6 | -35.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | N8 S16 | N8-A12 WeakPolarHBondContact O-CB 3.5Å; N8-A12 PolarHBondContact O-N 3.43Å; N8-A12 VanDerWaalsContact O-N 3.14Å; A12-S16 PolarHBondContact O-N 3.45Å; A12-S16 VanDerWaalsContact O-N 3.12Å |
| 13 | Y | 79 | Confident | 64.2 | Low | 148 Ų | 148 | 106.5 Ų | 106.5 | 58% | 0.58 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -67.3 | -43 | 175 | -175.1 | -105.7 | 0 | 0 | 0 | 111.8 | V9 D10 E11 S16 L17 | V9-Y13 WeakPolarHBondContact O-CB 3.48Å; V9-Y13 PolarHBondContact O-N 3.04Å; V9-Y13 VanDerWaalsContact O-N 3.08Å; D10-Y13 PolarHBondContact O-N 3.36Å; E11-Y13 VanDerWaalsContact C-N 3.3Å; E11-Y13 PolarHBondContact O-N 3.3Å; Y13-S16 PolarHBondContact O-N 3Å; Y13-S16 PolarHBondContact O-OG 3.45Å; Y13-L17 HydrophobicContact CD1-CD1 4.03Å; Y13-L17 HydrophobicContact CE1-CD1 3.59Å; Y13-L17 HydrophobicContact CE1-CG 4.42Å; Y13-L17 PolarHBondContact O-N 2.96Å |
| 14 | Q | 79.2 | Confident | 63.3 | Low | 131 Ų | 131 | 109.4 Ų | 109.4 | 61% | 0.612 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -65.4 | -40.9 | 175.7 | -72.6 | -174.1 | 17.9 | 0 | 0 | 112.6 | D10 E11 S16 L17 V18 | D10-Q14 WeakPolarHBondContact O-CG 3.28Å; D10-Q14 PolarHBondContact O-N 3.12Å; D10-Q14 VanDerWaalsContact O-N 3.11Å; E11-Q14 PolarHBondContact O-N 3.49Å; Q14-S16 VanDerWaalsContact C-N 3.27Å; Q14-S16 PolarHBondContact O-N 3.25Å; Q14-L17 PolarHBondContact O-N 3.47Å; Q14-L17 VanDerWaalsContact O-N 3.17Å; Q14-V18 WeakPolarHBondContact O-CG2 3.47Å; Q14-V18 PolarHBondContact O-N 3.28Å |
| 15 | Q | 73.3 | Confident | 63 | Low | 124 Ų | 124 | 104.6 Ų | 104.6 | 58% | 0.579 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -61.3 | -35.9 | 175 | -72.8 | -178.3 | 10 | 0 | 0 | 112.2 | E11 V18 A19 | E11-Q15 WeakPolarHBondContact O-CG 3.49Å; E11-Q15 PolarHBondContact O-N 3.04Å; Q15-V18 PolarHBondContact O-N 3.4Å; Q15-A19 WeakPolarHBondContact O-CB 3.47Å; Q15-A19 PolarHBondContact O-N 3.4Å |
| 16 | S | 67.4 | Low | 61.9 | Low | 52 Ų | 52 | 108.4 Ų | 108.4 | 36% | 0.364 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -68 | -34.1 | 175.5 | 77.9 | 0 | 0 | 0 | 0 | 113.4 | A12 Y13 Q14 L20 | A12-S16 PolarHBondContact O-N 3.45Å; A12-S16 VanDerWaalsContact O-N 3.12Å; Y13-S16 PolarHBondContact O-N 3Å; Y13-S16 PolarHBondContact O-OG 3.45Å; Q14-S16 VanDerWaalsContact C-N 3.27Å; Q14-S16 PolarHBondContact O-N 3.25Å; S16-L20 WeakPolarHBondContact O-CG 3.47Å; S16-L20 PolarHBondContact O-N 3.48Å; S16-L20 VanDerWaalsContact O-N 3.13Å |
| 17 | L | 69.3 | Low | 60.1 | Low | 87 Ų | 87 | 105.9 Ų | 105.9 | 46% | 0.455 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -72.1 | -36.5 | 175.8 | -74 | 171.9 | 0 | 0 | 0 | 112.2 | Y13 Q14 L20 A21 | Y13-L17 HydrophobicContact CD1-CD1 4.03Å; Y13-L17 HydrophobicContact CE1-CD1 3.59Å; Y13-L17 HydrophobicContact CE1-CG 4.42Å; Y13-L17 PolarHBondContact O-N 2.96Å; Q14-L17 PolarHBondContact O-N 3.47Å; Q14-L17 VanDerWaalsContact O-N 3.17Å; L17-L20 PolarHBondContact O-N 3.02Å; L17-A21 WeakPolarHBondContact O-CB 3.37Å; L17-A21 PolarHBondContact O-N 3.21Å |
| 18 | V | 69.2 | Low | 58.7 | Low | 98 Ų | 98 | 104.5 Ų | 104.5 | 59% | 0.594 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -69.2 | -38.2 | 174.8 | 175.9 | 0 | 0 | 0 | 0 | 111.2 | Q14 Q15 L20 A21 S22 | Q14-V18 WeakPolarHBondContact O-CG2 3.47Å; Q14-V18 PolarHBondContact O-N 3.28Å; Q15-V18 PolarHBondContact O-N 3.4Å; V18-L20 VanDerWaalsContact C-N 3.33Å; V18-L20 PolarHBondContact O-N 2.97Å; V18-A21 PolarHBondContact O-N 3.34Å; V18-S22 PolarHBondContact O-N 2.79Å |
| 19 | A | 57.9 | Low | 56.7 | Low | 65 Ų | 65 | 106 Ų | 106 | 54% | 0.537 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -65 | -34.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q15 | Q15-A19 WeakPolarHBondContact O-CB 3.47Å; Q15-A19 PolarHBondContact O-N 3.4Å |
| 20 | L | 51.8 | Low | 55.1 | Low | 125 Ų | 125 | 107.8 Ų | 107.8 | 65% | 0.654 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -77 | -28.3 | 175.3 | -73.7 | 166 | 0 | 0 | 0 | 112.9 | S16 L17 V18 T23 | S16-L20 WeakPolarHBondContact O-CG 3.47Å; S16-L20 PolarHBondContact O-N 3.48Å; S16-L20 VanDerWaalsContact O-N 3.13Å; L17-L20 PolarHBondContact O-N 3.02Å; V18-L20 VanDerWaalsContact C-N 3.33Å; V18-L20 PolarHBondContact O-N 2.97Å; L20-T23 PolarHBondContact O-OG1 3.12Å |
| 21 | A | 51 | Low | 53 | Low | 71 Ų | 71 | 109.7 Ų | 109.7 | 59% | 0.587 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -75 | -25.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L17 V18 T23 | L17-A21 WeakPolarHBondContact O-CB 3.37Å; L17-A21 PolarHBondContact O-N 3.21Å; V18-A21 PolarHBondContact O-N 3.34Å; A21-T23 VanDerWaalsContact C-N 3.31Å; A21-T23 PolarHBondContact O-N 3.2Å |
| 22 | S | 48.8 | Very low | 50.9 | Low | 100 Ų | 100 | 111.7 Ų | 111.7 | 70% | 0.699 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | 3.3 | -179.5 | -73.7 | 0 | 0 | 0 | 0 | 115.2 | V18 | V18-S22 PolarHBondContact O-N 2.79Š|
| 23 | T | 38.9 | Very low | 48.9 | Very low | 112 Ų | 112 | 112.2 Ų | 112.2 | 69% | 0.687 | 69% | 0.689 | S | S | * | * | trans | -106.2 | 48.7 | 174.6 | 56.9 | 0 | 0 | 0 | 0 | 111.9 | L20 A21 | L20-T23 PolarHBondContact O-OG1 3.12Å; A21-T23 VanDerWaalsContact C-N 3.31Å; A21-T23 PolarHBondContact O-N 3.2Å | ||
| 24 | K | 35 | Very low | 46.8 | Very low | 200 Ų | 200 | 114.2 Ų | 114.2 | 87% | 0.87 | 70% | 0.701 | S | S | * | * | trans | -120.5 | 67.4 | 167 | -90.8 | -176.7 | 174.4 | 179.4 | 0 | 109.9 | S26 | K24-S26 PolarHBondContact O-N 2.97Š| ||
| 25 | S | 40 | Very low | 44.6 | Very low | 114 Ų | 114 | 115 Ų | 115 | 80% | 0.797 | 72% | 0.715 | S | S | * | * | trans | -84.2 | 98.8 | 164.1 | 62 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 26 | S | 32.2 | Very low | 42.6 | Very low | 118 Ų | 118 | 116.6 Ų | 116.6 | 83% | 0.825 | 72% | 0.722 | S | S | * | * | trans | 11.9 | 104.9 | 146.3 | -162.5 | 0 | 0 | 0 | 0 | 117 | K24 | K24-S26 PolarHBondContact O-N 2.97Š| ||
| 27 | S | 32.7 | Very low | 40.9 | Very low | 109 Ų | 109 | 120.2 Ų | 120.2 | 76% | 0.762 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 129 | 164.1 | 59.2 | 0 | 0 | 0 | 0 | 110.2 | ||
| 28 | P | 38.7 | Very low | 39.1 | Very low | 123 Ų | 123 | 126.1 Ų | 126.1 | 80% | 0.799 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -79 | 140.3 | 171.6 | 31.4 | -29.6 | 0 | 0 | 0 | 111 | ||
| 29 | S | 29.6 | Very low | 37.4 | Very low | 115 Ų | 115 | 132.5 Ų | 132.5 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 139.4 | -179.7 | -58.4 | 0 | 0 | 0 | 0 | 113.4 | S31 | S29-S31 PolarHBondContact O-N 3.44Š|
| 30 | P | 36.9 | Very low | 36.4 | Very low | 129 Ų | 129 | 136.9 Ų | 136.9 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 121.5 | 178.5 | 31 | -30.3 | 0 | 0 | 0 | 111 | ||
| 31 | S | 31.7 | Very low | 35.5 | Very low | 115 Ų | 115 | 138.8 Ų | 138.8 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 137.1 | 168.8 | 71.5 | 0 | 0 | 0 | 0 | 110.7 | S29 G33 | S29-S31 PolarHBondContact O-N 3.44Å; S31-G33 PolarHBondContact O-N 3.28Å |
| 32 | V | 33.2 | Very low | 34.8 | Very low | 152 Ų | 152 | 144.1 Ų | 144.1 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -48.1 | 126.6 | 174.8 | -179.4 | 0 | 0 | 0 | 0 | 112.2 | ||
| 33 | G | 30.6 | Very low | 34 | Very low | 68 Ų | 68 | 144.5 Ų | 144.5 | 70% | 0.701 | 81% | 0.812 | S | S | * | * | S | Bend | trans | 113.4 | 25.6 | 148.6 | 0 | 0 | 0 | 0 | 0 | 120.4 | S31 | S31-G33 PolarHBondContact O-N 3.28Š|
| 34 | K | 36.8 | Very low | 33.7 | Very low | 190 Ų | 190 | 147.8 Ų | 147.8 | 83% | 0.826 | 82% | 0.82 | S | S | * | * | trans | -141.1 | 123.4 | 170 | -64.3 | -175.6 | -177 | 176.3 | 0 | 112.6 | E36 | K34-E36 PolarHBondContact O-N 3.43Š| ||
| 35 | T | 31.4 | Very low | 33.9 | Very low | 149 Ų | 149 | 146 Ų | 146 | 91% | 0.914 | 82% | 0.82 | S | S | * | * | trans | -66.7 | 112 | 167 | 39.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 36 | E | 31.9 | Very low | 33.5 | Very low | 156 Ų | 156 | 148.8 Ų | 148.8 | 73% | 0.729 | 83% | 0.826 | S | S | * | * | trans | -118.4 | 112.4 | 179.7 | -131.7 | 166.6 | -154.3 | 0 | 0 | 110.6 | K34 Y38 | K34-E36 PolarHBondContact O-N 3.43Å; E36-Y38 PolarHBondContact O-N 3.02Å | ||
| 37 | T | 31.7 | Very low | 33.8 | Very low | 129 Ų | 129 | 150.8 Ų | 150.8 | 79% | 0.791 | 83% | 0.826 | S | S | * | * | trans | -73.4 | 110.9 | 177.1 | -52.8 | 0 | 0 | 0 | 0 | 109.5 | R39 | T37-R39 PolarHBondContact O-N 2.88Å; T37-R39 VanDerWaalsContact O-N 3.11Å | ||
| 38 | Y | 31.5 | Very low | 34.3 | Very low | 210 Ų | 210 | 151.5 Ų | 151.5 | 82% | 0.824 | 83% | 0.826 | S | S | * | * | trans | -73.1 | 102.6 | 173.3 | -73.2 | -87.1 | 0 | 0 | 0 | 110.7 | E36 L40 | E36-Y38 PolarHBondContact O-N 3.02Å; Y38-L40 PolarHBondContact O-N 2.96Å | ||
| 39 | R | 33.5 | Very low | 34.1 | Very low | 233 Ų | 233 | 151.7 Ų | 151.7 | 88% | 0.879 | 83% | 0.828 | S | S | * | * | trans | -80.2 | 105.5 | 159.8 | -76.9 | -172.1 | 176.6 | -164.1 | -0 | 108.5 | T37 L41 | T37-R39 PolarHBondContact O-N 2.88Å; T37-R39 VanDerWaalsContact O-N 3.11Å; R39-L41 PolarHBondContact O-N 3.37Å | ||
| 40 | L | 36.8 | Very low | 34.6 | Very low | 156 Ų | 156 | 154.9 Ų | 154.9 | 82% | 0.817 | 83% | 0.827 | S | S | * | * | trans | -76 | 117.8 | 161.7 | -83.6 | 159 | 0 | 0 | 0 | 108.6 | Y38 H42 | Y38-L40 PolarHBondContact O-N 2.96Å; L40-H42 PolarHBondContact O-N 3.1Å | ||
| 41 | L | 33.2 | Very low | 34.6 | Very low | 166 Ų | 166 | 157.6 Ų | 157.6 | 87% | 0.869 | 83% | 0.828 | S | S | * | * | trans | -61.7 | 117.5 | 170.8 | -75.9 | 142.3 | 0 | 0 | 0 | 109.8 | R39 | R39-L41 PolarHBondContact O-N 3.37Š| ||
| 42 | H | 36.8 | Very low | 34.7 | Very low | 182 Ų | 182 | 157.4 Ų | 157.4 | 84% | 0.843 | 83% | 0.827 | S | S | * | * | trans | -114.8 | 110.7 | 151.1 | -73 | 126.6 | 0 | 0 | 0 | 107.3 | L40 | L40-H42 PolarHBondContact O-N 3.1Š| ||
| 43 | S | 31.5 | Very low | 34.9 | Very low | 108 Ų | 108 | 155.7 Ų | 155.7 | 76% | 0.755 | 82% | 0.816 | S | S | * | * | trans | -65 | 131.8 | 167.9 | 39.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 44 | E | 32.4 | Very low | 35.1 | Very low | 182 Ų | 182 | 163 Ų | 163 | 85% | 0.85 | 82% | 0.823 | S | S | * | * | trans | 50.6 | 88.6 | 149.3 | -56.4 | -173.2 | 177.5 | 0 | 0 | 117.4 | ||||
| 45 | D | 38.4 | Very low | 34.9 | Very low | 161 Ų | 161 | 164.3 Ų | 164.3 | 86% | 0.861 | 82% | 0.824 | S | S | * | * | trans | -158.8 | 122.8 | 139.6 | -96.8 | -31.3 | 0 | 0 | 0 | 110.9 | L47 | D45-L47 PolarHBondContact O-N 3.48Å; D45-L47 VanDerWaalsContact O-N 3.08Å | ||
| 46 | N | 32.4 | Very low | 35.5 | Very low | 173 Ų | 173 | 165.6 Ų | 165.6 | 93% | 0.925 | 82% | 0.82 | S | S | * | * | trans | -74 | 89.5 | -177.7 | -79.4 | -66.6 | 0 | 0 | 0 | 111.1 | ||||
| 47 | L | 39.3 | Very low | 36.1 | Very low | 160 Ų | 160 | 167 Ų | 167 | 84% | 0.838 | 83% | 0.826 | S | S | * | * | trans | -130.2 | 123.5 | 167.2 | -83.6 | 147.6 | 0 | 0 | 0 | 110.9 | D45 | D45-L47 PolarHBondContact O-N 3.48Å; D45-L47 VanDerWaalsContact O-N 3.08Å | ||
| 48 | T | 41.7 | Very low | 36.6 | Very low | 125 Ų | 125 | 164.8 Ų | 164.8 | 77% | 0.767 | 81% | 0.814 | S | S | * | * | trans | -51.1 | 152 | -172.5 | 47.4 | 0 | 0 | 0 | 0 | 115.9 | K50 | T48-K50 PolarHBondContact O-N 3.19Š| ||
| 49 | P | 34.9 | Very low | 37.3 | Very low | 127 Ų | 127 | 165 Ų | 165 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | trans | -83.8 | 108 | -163.9 | 33.4 | -32.7 | 0 | 0 | 0 | 112.3 | ||||
| 50 | K | 39.6 | Very low | 38.4 | Very low | 181 Ų | 181 | 163.4 Ų | 163.4 | 79% | 0.787 | 82% | 0.816 | S | S | * | * | trans | -136.5 | 135.2 | 158.7 | -67.7 | -175.5 | -179.7 | 178 | 0 | 106.4 | T48 | T48-K50 PolarHBondContact O-N 3.19Š| ||
| 51 | H | 37.4 | Very low | 39.1 | Very low | 186 Ų | 186 | 163.6 Ų | 163.6 | 86% | 0.861 | 82% | 0.818 | S | S | * | * | trans | 85.7 | 71.1 | -170.4 | -39.2 | -61.3 | 0 | 0 | 0 | 114.6 | ||||
| 52 | S | 33 | Very low | 40 | Very low | 112 Ų | 112 | 161.5 Ų | 161.5 | 78% | 0.783 | 81% | 0.807 | S | S | * | * | trans | -95 | 111.2 | 153.6 | 63.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 53 | V | 38.7 | Very low | 40.1 | Very low | 115 Ų | 115 | 162.5 Ų | 162.5 | 70% | 0.697 | 81% | 0.805 | S | S | * | * | trans | -83.9 | 108 | 165.2 | 175.6 | 0 | 0 | 0 | 0 | 105.7 | Y55 | V53-Y55 HydrophobicContact CG1-CD2 4.21Å; V53-Y55 HydrophobicContact CG1-CE2 4.03Å | ||
| 54 | R | 34.1 | Very low | 41 | Very low | 222 Ų | 222 | 161.2 Ų | 161.2 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | trans | -86.1 | 115.9 | 165.3 | -82.1 | -172.9 | 172.6 | 177.3 | -1.3 | 107.6 | E56 | R54-E56 PolarHBondContact O-N 3.46Š| ||
| 55 | Y | 33.5 | Very low | 41.3 | Very low | 217 Ų | 217 | 160.8 Ų | 160.8 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | trans | -73.9 | 106.7 | 160.4 | -77.1 | -89.8 | 0 | 0 | 0 | 106.9 | V53 | V53-Y55 HydrophobicContact CG1-CD2 4.21Å; V53-Y55 HydrophobicContact CG1-CE2 4.03Å | ||
| 56 | E | 42.8 | Very low | 41.2 | Very low | 176 Ų | 176 | 163.6 Ų | 163.6 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 120.5 | 155.9 | -79.7 | -166.3 | 160.3 | 0 | 0 | 107.4 | R54 P58 | R54-E56 PolarHBondContact O-N 3.46Å; E56-P58 WeakPolarHBondContact O-CD 3.48Å |
| 57 | E | 44.9 | Very low | 41.5 | Very low | 185 Ų | 185 | 163.9 Ų | 163.9 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -61 | 118.6 | 171.7 | -170.1 | 169.9 | -159.5 | 0 | 0 | 108.1 | R59 | E57-R59 PolarHBondContact O-N 3.48Š|
| 58 | P | 43.4 | Very low | 41.4 | Very low | 83 Ų | 83 | 158.9 Ų | 158.9 | 54% | 0.539 | 78% | 0.775 | S | S | . | * | P | Polyproline II helix | trans | -64.3 | 130.9 | -177.1 | -17.5 | 29.5 | 0 | 0 | 0 | 109.9 | E56 | E56-P58 WeakPolarHBondContact O-CD 3.48Š|
| 59 | R | 45.2 | Very low | 41.2 | Very low | 215 Ų | 215 | 161.9 Ų | 161.9 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 145.7 | 160.6 | -75 | -175.7 | 172.3 | 123.2 | 1.8 | 108 | E57 D61 D62 | E57-R59 PolarHBondContact O-N 3.48Å; R59-D61 PolarHBondContact O-N 3.02Å; R59-D62 PolarHBondContact O-N 3Å |
| 60 | E | 56.5 | Low | 41.6 | Very low | 199 Ų | 199 | 159.8 Ų | 159.8 | 93% | 0.93 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.1 | -2.5 | -165.7 | -67 | 168.8 | 151.5 | 0 | 0 | 116.7 | ||
| 61 | D | 52.4 | Low | 42.1 | Very low | 161 Ų | 161 | 154.9 Ų | 154.9 | 86% | 0.861 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.3 | 0.6 | -177 | -67.3 | -44 | 0 | 0 | 0 | 115.4 | R59 | R59-D61 PolarHBondContact O-N 3.02Š|
| 62 | D | 51.1 | Low | 43 | Very low | 121 Ų | 121 | 150 Ų | 150 | 65% | 0.647 | 73% | 0.73 | S | S | * | * | trans | -108.8 | 122.2 | -178.3 | -79.5 | -35.6 | 0 | 0 | 0 | 112.9 | R59 | R59-D62 PolarHBondContact O-N 3Š| ||
| 63 | Y | 40.1 | Very low | 44.3 | Very low | 203 Ų | 203 | 151.1 Ų | 151.1 | 80% | 0.796 | 73% | 0.727 | S | S | * | * | trans | -61.5 | 137.4 | 172 | -132.1 | -96 | 0 | 0 | 0 | 109.7 | H65 | Y63-H65 PolarHBondContact O-N 2.68Å; Y63-H65 PolarHBondContact O-ND1 2.67Å | ||
| 64 | P | 48.7 | Very low | 45.1 | Very low | 82 Ų | 82 | 152.4 Ų | 152.4 | 53% | 0.532 | 73% | 0.729 | S | S | . | * | trans | -58.3 | 104.4 | -177.8 | 22.8 | -33.1 | 0 | 0 | 0 | 110.6 | Y66 | P64-Y66 PolarHBondContact O-N 3.27Š| ||
| 65 | H | 40.2 | Very low | 46.5 | Very low | 173 Ų | 173 | 143.7 Ų | 143.7 | 80% | 0.801 | 70% | 0.698 | S | S | * | * | trans | -77.4 | 110.3 | 168.9 | -89.2 | 60.8 | 0 | 0 | 0 | 108.1 | Y63 Q67 | Y63-H65 PolarHBondContact O-N 2.68Å; Y63-H65 PolarHBondContact O-ND1 2.67Å; H65-Q67 PolarHBondContact O-N 3.44Å | ||
| 66 | Y | 36.1 | Very low | 48.1 | Very low | 220 Ų | 220 | 135.9 Ų | 135.9 | 86% | 0.863 | 68% | 0.676 | S | S | * | * | trans | -73 | 91.4 | 170.5 | -79.9 | -88.1 | 0 | 0 | 0 | 109.5 | P64 G68 | P64-Y66 PolarHBondContact O-N 3.27Å; Y66-G68 VanDerWaalsContact C-N 3.3Å; Y66-G68 PolarHBondContact O-N 3.17Å | ||
| 67 | Q | 38 | Very low | 49.6 | Very low | 178 Ų | 178 | 132.9 Ų | 132.9 | 83% | 0.832 | 67% | 0.671 | S | S | * | * | trans | -87.2 | 75.7 | 167.8 | -161.6 | 137.3 | 8.3 | 0 | 0 | 109.5 | H65 | H65-Q67 PolarHBondContact O-N 3.44Š| ||
| 68 | G | 36.7 | Very low | 50.6 | Low | 56 Ų | 56 | 127.7 Ų | 127.7 | 58% | 0.577 | 66% | 0.655 | S | S | * | * | trans | -105.2 | 120.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y66 V70 | Y66-G68 VanDerWaalsContact C-N 3.3Å; Y66-G68 PolarHBondContact O-N 3.17Å; G68-V70 PolarHBondContact O-N 2.89Å; G68-V70 VanDerWaalsContact O-N 3.12Å | ||
| 69 | F | 38.1 | Very low | 51.7 | Low | 187 Ų | 187 | 127.8 Ų | 127.8 | 82% | 0.82 | 65% | 0.647 | S | S | * | * | trans | -69.1 | 104 | 165.1 | -72.8 | -87.5 | 0 | 0 | 0 | 108.6 | V95 | F69-V95 HydrophobicContact CE1-CG2 4.03Š| ||
| 70 | V | 44.2 | Very low | 52.7 | Low | 84 Ų | 84 | 123.4 Ų | 123.4 | 51% | 0.509 | 63% | 0.631 | S | S | . | * | trans | -97.4 | 115.7 | 172.3 | -176.7 | 0 | 0 | 0 | 0 | 108.1 | G68 P72 Q75 | G68-V70 PolarHBondContact O-N 2.89Å; G68-V70 VanDerWaalsContact O-N 3.12Å; V70-P72 WeakPolarHBondContact O-CD 3.39Å; V70-Q75 HydrophobicContact CG1-CG 3.97Å | ||
| 71 | D | 48.9 | Very low | 53.1 | Low | 78 Ų | 78 | 122.7 Ų | 122.7 | 42% | 0.417 | 62% | 0.62 | S | S | . | * | trans | -57.2 | 119.9 | 172.5 | -168 | -25.4 | 0 | 0 | 0 | 108.9 | N73 L74 | D71-N73 PolarHBondContact O-N 2.93Å; D71-N73 WeakPolarHBondContact OD1-CB 3.27Å; D71-N73 PolarHBondContact OD1-N 2.74Å; D71-N73 VanDerWaalsContact OD1-N 3.1Å; D71-N73 PolarHBondContact OD1-ND2 2.79Å; D71-L74 HydrophobicContact CB-CB 4.35Å; D71-L74 HydrophobicContact CB-CD1 4.02Å; D71-L74 HydrophobicContact CB-CG 4.27Å; D71-L74 PolarHBondContact O-N 3.43Å | ||
| 72 | P | 57 | Low | 53.7 | Low | 83 Ų | 83 | 119.7 Ų | 119.7 | 54% | 0.539 | 60% | 0.603 | S | S | . | * | G | 310 helix | trans | -59.3 | -18.7 | -179.1 | 21.5 | -31.6 | 0 | 0 | 0 | 113.1 | V70 R80 | V70-P72 WeakPolarHBondContact O-CD 3.39Å; P72-R80 PolarHBondContact O-NH2 2.91Å; P72-R80 VanDerWaalsContact O-NH2 3.08Å |
| 73 | N | 60.8 | Low | 54.5 | Low | 136 Ų | 136 | 115.9 Ų | 115.9 | 73% | 0.727 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -80.7 | -13.9 | 177.7 | -58.3 | -47 | 0 | 0 | 0 | 113.8 | D71 | D71-N73 PolarHBondContact O-N 2.93Å; D71-N73 WeakPolarHBondContact OD1-CB 3.27Å; D71-N73 PolarHBondContact OD1-N 2.74Å; D71-N73 VanDerWaalsContact OD1-N 3.1Å; D71-N73 PolarHBondContact OD1-ND2 2.79Å |
| 74 | L | 55.4 | Low | 55.6 | Low | 141 Ų | 141 | 114 Ų | 114 | 74% | 0.738 | 57% | 0.574 | S | S | * | * | G | 310 helix | trans | -109.5 | 7.1 | -177 | -68.1 | 172 | 0 | 0 | 0 | 113.6 | D71 S76 | D71-L74 HydrophobicContact CB-CB 4.35Å; D71-L74 HydrophobicContact CB-CD1 4.02Å; D71-L74 HydrophobicContact CB-CG 4.27Å; D71-L74 PolarHBondContact O-N 3.43Å; L74-S76 PolarHBondContact O-N 3.46Å |
| 75 | Q | 63.1 | Low | 56.1 | Low | 39 Ų | 39 | 116.4 Ų | 116.4 | 18% | 0.182 | 58% | 0.582 | C | S | . | * | trans | -70.5 | 114.1 | 177 | -72.1 | -173.1 | -9.9 | 0 | 0 | 111.3 | V70 F79 R80 | V70-Q75 HydrophobicContact CG1-CG 3.97Å; Q75-F79 HydrophobicContact CB-CD1 4.39Å; Q75-F79 HydrophobicContact CG-CD1 3.92Å; Q75-F79 HydrophobicContact CG-CE1 4.43Å; Q75-R80 HydrophobicContact CB-CG 4.05Å | ||
| 76 | S | 67 | Low | 56.9 | Low | 54 Ų | 54 | 112.3 Ų | 112.3 | 38% | 0.378 | 57% | 0.569 | S | S | . | * | trans | -56.3 | 148.6 | 170.9 | 63.8 | 0 | 0 | 0 | 0 | 110.9 | L74 S78 F79 R80 | L74-S76 PolarHBondContact O-N 3.46Å; S76-S78 PolarHBondContact O-N 3.19Å; S76-S78 VanDerWaalsContact O-N 3.11Å; S76-S78 PolarHBondContact OG-OG 3.23Å; S76-F79 PolarHBondContact O-N 2.73Å; S76-F79 WeakPolarHBondContact OG-CB 3.46Å; S76-F79 PolarHBondContact OG-N 2.99Å; S76-R80 PolarHBondContact O-N 3.27Å; S76-R80 VanDerWaalsContact O-N 3.1Å | ||
| 77 | P | 73.3 | Confident | 57.1 | Low | 112 Ų | 112 | 104.5 Ų | 104.5 | 73% | 0.727 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -54.5 | -31.3 | 175.6 | -27.2 | 34.8 | 0 | 0 | 0 | 113.2 | R81 | P77-R81 WeakPolarHBondContact O-CB 3.31Å; P77-R81 PolarHBondContact O-N 3.37Å |
| 78 | S | 66 | Low | 57.5 | Low | 76 Ų | 76 | 100.2 Ų | 100.2 | 53% | 0.531 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.6 | -40.1 | 173.9 | 36.8 | 0 | 0 | 0 | 0 | 112.6 | S76 R81 L82 | S76-S78 PolarHBondContact O-N 3.19Å; S76-S78 VanDerWaalsContact O-N 3.11Å; S76-S78 PolarHBondContact OG-OG 3.23Å; S78-R81 PolarHBondContact O-N 2.88Å; S78-L82 PolarHBondContact O-N 3.46Å |
| 79 | F | 66.6 | Low | 58.2 | Low | 86 Ų | 86 | 102.9 Ų | 102.9 | 38% | 0.377 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68.2 | -41.8 | 175.9 | -167.2 | -95.1 | 0 | 0 | 0 | 112.1 | Q75 S76 R81 L82 Q83 | Q75-F79 HydrophobicContact CB-CD1 4.39Å; Q75-F79 HydrophobicContact CG-CD1 3.92Å; Q75-F79 HydrophobicContact CG-CE1 4.43Å; S76-F79 PolarHBondContact O-N 2.73Å; S76-F79 WeakPolarHBondContact OG-CB 3.46Å; S76-F79 PolarHBondContact OG-N 2.99Å; F79-R81 VanDerWaalsContact C-N 3.3Å; F79-R81 PolarHBondContact O-N 2.87Å; F79-L82 WeakPolarHBondContact O-CB 3.42Å; F79-L82 PolarHBondContact O-N 3.44Å; F79-Q83 HydrophobicContact CD1-CG 4.21Å; F79-Q83 HydrophobicContact CE1-CG 3.96Å; F79-Q83 PolarHBondContact O-N 2.92Å |
| 80 | R | 65.8 | Low | 58.8 | Low | 122 Ų | 122 | 98.1 Ų | 98.1 | 46% | 0.46 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.6 | -41.5 | 172.2 | -71.1 | -175.2 | -172.9 | -162.5 | 1.8 | 111.4 | P72 Q75 S76 L82 Q83 Y84 | P72-R80 PolarHBondContact O-NH2 2.91Å; P72-R80 VanDerWaalsContact O-NH2 3.08Å; Q75-R80 HydrophobicContact CB-CG 4.05Å; S76-R80 PolarHBondContact O-N 3.27Å; S76-R80 VanDerWaalsContact O-N 3.1Å; R80-L82 VanDerWaalsContact C-N 3.33Å; R80-L82 PolarHBondContact O-N 3.42Å; R80-Q83 PolarHBondContact O-N 3.22Å; R80-Y84 WeakPolarHBondContact O-CD2 3.13Å; R80-Y84 PolarHBondContact O-N 3.41Å |
| 81 | R | 65.5 | Low | 58.7 | Low | 184 Ų | 184 | 101.5 Ų | 101.5 | 69% | 0.694 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -62.8 | -39.3 | 176.2 | -167.9 | 176.9 | -174.3 | -165.6 | 1.2 | 112.1 | P77 S78 F79 Y84 L85 | P77-R81 WeakPolarHBondContact O-CB 3.31Å; P77-R81 PolarHBondContact O-N 3.37Å; S78-R81 PolarHBondContact O-N 2.88Å; F79-R81 VanDerWaalsContact C-N 3.3Å; F79-R81 PolarHBondContact O-N 2.87Å; R81-Y84 PolarHBondContact O-N 3.03Å; R81-L85 HydrophobicContact CG-CD1 4.25Å; R81-L85 WeakPolarHBondContact O-CG 3.25Å; R81-L85 PolarHBondContact O-N 2.61Å; R81-L85 VanDerWaalsContact O-N 3.09Å |
| 82 | L | 64.8 | Low | 58.5 | Low | 98 Ų | 98 | 107.2 Ų | 107.2 | 51% | 0.513 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -64.1 | -46.3 | 173.4 | -87.3 | 157.8 | 0 | 0 | 0 | 111.6 | S78 F79 R80 Y84 L85 T86 | S78-L82 PolarHBondContact O-N 3.46Å; F79-L82 WeakPolarHBondContact O-CB 3.42Å; F79-L82 PolarHBondContact O-N 3.44Å; R80-L82 VanDerWaalsContact C-N 3.33Å; R80-L82 PolarHBondContact O-N 3.42Å; L82-Y84 VanDerWaalsContact C-N 3.3Å; L82-Y84 PolarHBondContact O-N 3.2Å; L82-L85 PolarHBondContact O-N 2.87Å; L82-T86 WeakPolarHBondContact O-CG2 3.49Å; L82-T86 PolarHBondContact O-N 2.64Å; L82-T86 PolarHBondContact O-OG1 3.24Å |
| 83 | Q | 67.1 | Low | 57.5 | Low | 42 Ų | 42 | 111.1 Ų | 111.1 | 20% | 0.196 | 58% | 0.581 | C | S | . | * | H | α-helix | trans | -57.7 | -41.5 | 174.8 | -73.5 | -174.8 | -48.4 | 0 | 0 | 112.6 | F79 R80 L85 G87 V88 | F79-Q83 HydrophobicContact CD1-CG 4.21Å; F79-Q83 HydrophobicContact CE1-CG 3.96Å; F79-Q83 PolarHBondContact O-N 2.92Å; R80-Q83 PolarHBondContact O-N 3.22Å; Q83-L85 VanDerWaalsContact C-N 3.31Å; Q83-L85 PolarHBondContact O-N 3.27Å; Q83-G87 PolarHBondContact O-N 3.05Å; Q83-V88 PolarHBondContact O-N 3Å |
| 84 | Y | 63.8 | Low | 56.1 | Low | 164 Ų | 164 | 113 Ų | 113 | 64% | 0.643 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -65 | -32.3 | 175.2 | -79.2 | -62.8 | 0 | 0 | 0 | 113.4 | R80 R81 L82 | R80-Y84 WeakPolarHBondContact O-CD2 3.13Å; R80-Y84 PolarHBondContact O-N 3.41Å; R81-Y84 PolarHBondContact O-N 3.03Å; L82-Y84 VanDerWaalsContact C-N 3.3Å; L82-Y84 PolarHBondContact O-N 3.2Å |
| 85 | L | 59 | Low | 55.2 | Low | 132 Ų | 132 | 111 Ų | 111 | 69% | 0.691 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -81.5 | -34.1 | 179 | -75 | 166.4 | 0 | 0 | 0 | 112.7 | R81 L82 Q83 | R81-L85 HydrophobicContact CG-CD1 4.25Å; R81-L85 WeakPolarHBondContact O-CG 3.25Å; R81-L85 PolarHBondContact O-N 2.61Å; R81-L85 VanDerWaalsContact O-N 3.09Å; L82-L85 PolarHBondContact O-N 2.87Å; Q83-L85 VanDerWaalsContact C-N 3.31Å; Q83-L85 PolarHBondContact O-N 3.27Å |
| 86 | T | 57.3 | Low | 53.5 | Low | 86 Ų | 86 | 117.8 Ų | 117.8 | 53% | 0.528 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -93.5 | -11.9 | -176.7 | 59.7 | 0 | 0 | 0 | 0 | 113.6 | L82 V88 | L82-T86 WeakPolarHBondContact O-CG2 3.49Å; L82-T86 PolarHBondContact O-N 2.64Å; L82-T86 PolarHBondContact O-OG1 3.24Å; T86-V88 PolarHBondContact O-N 3.08Å; T86-V88 WeakPolarHBondContact OG1-CG2 3.45Å |
| 87 | G | 40.1 | Very low | 52.1 | Low | 56 Ų | 56 | 121.9 Ų | 121.9 | 58% | 0.577 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 72.5 | 13 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114 | Q83 T89 | Q83-G87 PolarHBondContact O-N 3.05Å; G87-T89 PolarHBondContact O-N 2.8Å |
| 88 | V | 47.4 | Very low | 50 | Low | 89 Ų | 89 | 124.9 Ų | 124.9 | 54% | 0.539 | 63% | 0.631 | S | S | . | * | trans | -77.9 | 95.3 | -179.4 | -178.7 | 0 | 0 | 0 | 0 | 109 | Q83 T86 | Q83-V88 PolarHBondContact O-N 3Å; T86-V88 PolarHBondContact O-N 3.08Å; T86-V88 WeakPolarHBondContact OG1-CG2 3.45Å | ||
| 89 | T | 50 | Low | 48.5 | Very low | 111 Ų | 111 | 126.5 Ų | 126.5 | 68% | 0.681 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 137.2 | 166.5 | 46.3 | 0 | 0 | 0 | 0 | 109.6 | G87 D91 | G87-T89 PolarHBondContact O-N 2.8Å; T89-D91 PolarHBondContact O-N 3.15Å |
| 90 | P | 51.3 | Low | 46.7 | Very low | 87 Ų | 87 | 125.8 Ų | 125.8 | 57% | 0.565 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 128.1 | 168.5 | 27.2 | -31.6 | 0 | 0 | 0 | 109.1 | K92 | P90-K92 PolarHBondContact O-N 3.43Š|
| 91 | D | 42.4 | Very low | 45.1 | Very low | 155 Ų | 155 | 128.1 Ų | 128.1 | 83% | 0.829 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 118.8 | 170.7 | -80 | -31.8 | 0 | 0 | 0 | 109.2 | T89 E93 | T89-D91 PolarHBondContact O-N 3.15Å; D91-E93 VanDerWaalsContact C-N 3.34Å; D91-E93 PolarHBondContact O-N 3.28Å |
| 92 | K | 43.8 | Very low | 43.3 | Very low | 198 Ų | 198 | 125.3 Ų | 125.3 | 86% | 0.861 | 68% | 0.684 | S | S | * | * | trans | -93.5 | 62.7 | 175.9 | -72.1 | -175 | 177.9 | -179 | 0 | 109.8 | P90 | P90-K92 PolarHBondContact O-N 3.43Š| ||
| 93 | E | 36.8 | Very low | 41.6 | Very low | 165 Ų | 165 | 127.2 Ų | 127.2 | 77% | 0.771 | 70% | 0.7 | S | S | * | * | trans | -137.2 | 129.4 | 166 | -70.5 | -169.8 | 161.6 | 0 | 0 | 109.3 | D91 | D91-E93 VanDerWaalsContact C-N 3.34Å; D91-E93 PolarHBondContact O-N 3.28Å | ||
| 94 | H | 31.6 | Very low | 39.8 | Very low | 176 Ų | 176 | 133.2 Ų | 133.2 | 82% | 0.815 | 73% | 0.725 | S | S | * | * | trans | 73.3 | 78.6 | 174.7 | -58.6 | -80.4 | 0 | 0 | 0 | 119.2 | ||||
| 95 | V | 36.6 | Very low | 38.2 | Very low | 99 Ų | 99 | 131.8 Ų | 131.8 | 60% | 0.6 | 73% | 0.733 | S | S | * | * | trans | -150.3 | 97.1 | 134.1 | -178.7 | 0 | 0 | 0 | 0 | 109.7 | F69 I97 | F69-V95 HydrophobicContact CE1-CG2 4.03Å; V95-I97 HydrophobicContact CG1-CB 4.47Å; V95-I97 HydrophobicContact CG1-CD1 3.46Å; V95-I97 VanDerWaalsContact CG1-CD1 3.46Å; V95-I97 HydrophobicContact CG1-CG1 3.52Å | ||
| 96 | E | 28 | Very low | 36.7 | Very low | 181 Ų | 181 | 132.1 Ų | 132.1 | 85% | 0.846 | 73% | 0.731 | S | S | * | * | trans | -79 | 107.4 | 161 | -178.2 | 179.7 | 178.5 | 0 | 0 | 107.4 | ||||
| 97 | I | 36.8 | Very low | 35.6 | Very low | 141 Ų | 141 | 134.6 Ų | 134.6 | 72% | 0.723 | 75% | 0.746 | S | S | * | * | trans | -116.1 | 111.4 | 165.6 | -71.5 | 166 | 0 | 0 | 0 | 108.3 | V95 S99 | V95-I97 HydrophobicContact CG1-CB 4.47Å; V95-I97 HydrophobicContact CG1-CD1 3.46Å; V95-I97 VanDerWaalsContact CG1-CD1 3.46Å; V95-I97 HydrophobicContact CG1-CG1 3.52Å; I97-S99 PolarHBondContact O-N 3.47Å | ||
| 98 | Q | 28.4 | Very low | 35.2 | Very low | 174 Ų | 174 | 139.4 Ų | 139.4 | 81% | 0.813 | 76% | 0.758 | S | S | * | * | trans | -52.8 | 119.6 | 164.2 | -65.3 | 168.9 | -8.6 | 0 | 0 | 110.4 | ||||
| 99 | S | 34.7 | Very low | 34.6 | Very low | 110 Ų | 110 | 143.1 Ų | 143.1 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | -147.2 | 109.4 | 147.4 | 61.1 | 0 | 0 | 0 | 0 | 107.6 | I97 N101 | I97-S99 PolarHBondContact O-N 3.47Å; S99-N101 PolarHBondContact O-N 3.3Å | ||
| 100 | G | 28.9 | Very low | 33.6 | Very low | 71 Ų | 71 | 142.1 Ų | 142.1 | 73% | 0.732 | 78% | 0.779 | S | S | * | * | trans | -59.2 | 131.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 101 | N | 32.4 | Very low | 32.8 | Very low | 171 Ų | 171 | 143.8 Ų | 143.8 | 91% | 0.914 | 79% | 0.789 | S | S | * | * | -151 | 125.7 | 127.1 | -91 | -27 | 0 | 0 | 0 | 108.1 | S99 | S99-N101 PolarHBondContact O-N 3.3Š| |||
| 102 | V | 27.9 | Very low | 32 | Very low | 126 Ų | 126 | 146.6 Ų | 146.6 | 76% | 0.764 | 79% | 0.79 | S | S | * | * | trans | -75.8 | 118.7 | -170.7 | 172 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 103 | V | 29 | Very low | 31.8 | Very low | 138 Ų | 138 | 143.2 Ų | 143.2 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | trans | -135.1 | 101.5 | 141.2 | -179.4 | 0 | 0 | 0 | 0 | 107 | ||||
| 104 | K | 29.3 | Very low | 31.9 | Very low | 168 Ų | 168 | 144 Ų | 144 | 73% | 0.73 | 79% | 0.789 | S | S | * | * | trans | -89.4 | 119.9 | 166.6 | -89.5 | 175.5 | 170.1 | 178.2 | 0 | 107.7 | ||||
| 105 | V | 30.6 | Very low | 31.8 | Very low | 134 Ų | 134 | 143.7 Ų | 143.7 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | trans | -127.3 | 112.9 | 147.4 | -178.9 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 106 | H | 28.2 | Very low | 31.8 | Very low | 138 Ų | 138 | 148.6 Ų | 148.6 | 64% | 0.639 | 80% | 0.801 | S | S | * | * | trans | -71 | 147.7 | 169.9 | -69.5 | 72.3 | 0 | 0 | 0 | 108.4 | ||||
| 107 | T | 33.7 | Very low | 32.2 | Very low | 139 Ų | 139 | 148.1 Ų | 148.1 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | 177 | 135.7 | 102.3 | 34.1 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 108 | N | 31.4 | Very low | 32.2 | Very low | 156 Ų | 156 | 147.8 Ų | 147.8 | 83% | 0.834 | 80% | 0.804 | S | S | * | * | trans | -56.6 | 134.4 | 168.7 | -61.2 | -54.1 | 0 | 0 | 0 | 110.6 | ||||
| 109 | D | 35 | Very low | 32.8 | Very low | 167 Ų | 167 | 144.6 Ų | 144.6 | 89% | 0.893 | 80% | 0.798 | S | S | * | * | trans | -162.8 | 136.8 | 132 | -91.8 | -33.7 | 0 | 0 | 0 | 109.9 | ||||
| 110 | A | 28.9 | Very low | 32.8 | Very low | 91 Ų | 91 | 145.8 Ų | 145.8 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | trans | -68.8 | -171.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 111 | P | 34.6 | Very low | 33.2 | Very low | 121 Ų | 121 | 151 Ų | 151 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | cis | -145.2 | 168.1 | 19.6 | 36.4 | -12.3 | 0 | 0 | 0 | 117.9 | ||||
| 112 | Y | 25.3 | Very low | 33.6 | Very low | 215 Ų | 215 | 149.2 Ų | 149.2 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | trans | -49.2 | 157.1 | 162 | -84.7 | -97.4 | 0 | 0 | 0 | 113.5 | ||||
| 113 | P | 40.3 | Very low | 34 | Very low | 126 Ų | 126 | 146.5 Ų | 146.5 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -105.5 | 121.1 | 140.9 | 21.2 | -6 | 0 | 0 | 0 | 111 | ||||
| 114 | K | 38.4 | Very low | 34.4 | Very low | 181 Ų | 181 | 148.8 Ų | 148.8 | 79% | 0.787 | 80% | 0.801 | S | S | * | * | trans | -73.3 | 148.2 | 161.1 | -78.2 | 173.6 | 172.8 | 176.5 | 0 | 110.2 | ||||
| 115 | Q | 30.3 | Very low | 34.7 | Very low | 171 Ų | 171 | 145.3 Ų | 145.3 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | trans | 3.6 | 132.1 | 147.3 | -59.4 | 175.4 | -54.6 | 0 | 0 | 119.4 | ||||
| 116 | F | 35.7 | Very low | 35.2 | Very low | 201 Ų | 201 | 145.5 Ų | 145.5 | 88% | 0.882 | 80% | 0.8 | S | S | * | * | trans | -143.3 | 99.2 | 139.2 | -85.1 | -80.4 | 0 | 0 | 0 | 105.9 | ||||
| 117 | E | 36.1 | Very low | 35.5 | Very low | 171 Ų | 171 | 142.3 Ų | 142.3 | 80% | 0.799 | 80% | 0.804 | S | S | * | * | 55.5 | 96.3 | 94 | -71.1 | -167.2 | 172.6 | 0 | 0 | 113.6 | P119 | E117-P119 WeakPolarHBondContact O-CD 3.49Š| |||
| 118 | T | 37 | Very low | 35.8 | Very low | 134 Ų | 134 | 141.4 Ų | 141.4 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | trans | -71.7 | 117.4 | 160.4 | -32.1 | 0 | 0 | 0 | 0 | 108 | T120 | T118-T120 PolarHBondContact O-N 2.98Š| ||
| 119 | P | 40.5 | Very low | 36.1 | Very low | 108 Ų | 108 | 140.8 Ų | 140.8 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | trans | -77 | 115.2 | 179.2 | 28.4 | -30.1 | 0 | 0 | 0 | 109.9 | E117 Q121 | E117-P119 WeakPolarHBondContact O-CD 3.49Å; P119-Q121 PolarHBondContact O-N 3.29Å | ||
| 120 | T | 35.6 | Very low | 36.2 | Very low | 134 Ų | 134 | 143.2 Ų | 143.2 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | trans | -78.7 | 97.6 | 158.3 | -54.5 | 0 | 0 | 0 | 0 | 106.7 | T118 | T118-T120 PolarHBondContact O-N 2.98Š| ||
| 121 | Q | 37.6 | Very low | 36.7 | Very low | 181 Ų | 181 | 144.8 Ų | 144.8 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | trans | -86.6 | 111.3 | 167.8 | -89.3 | -170.2 | 20.6 | 0 | 0 | 110 | P119 | P119-Q121 PolarHBondContact O-N 3.29Š| ||
| 122 | T | 40.2 | Very low | 37 | Very low | 133 Ų | 133 | 150.3 Ų | 150.3 | 82% | 0.816 | 79% | 0.794 | S | S | * | * | trans | -67.8 | 146 | 158.5 | 11 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 123 | G | 36.7 | Very low | 37.7 | Very low | 70 Ų | 70 | 145 Ų | 145 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | trans | -68 | 162.8 | -160.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 124 | Q | 37.6 | Very low | 37.7 | Very low | 186 Ų | 186 | 147 Ų | 147 | 87% | 0.869 | 79% | 0.785 | S | S | * | * | -177.1 | 126 | 119.5 | -99.5 | 178.1 | -2.8 | 0 | 0 | 109.9 | |||||
| 125 | S | 35.6 | Very low | 37.8 | Very low | 95 Ų | 95 | 147.4 Ų | 147.4 | 66% | 0.664 | 79% | 0.789 | S | S | * | * | trans | 46 | 117.9 | 141.2 | 66.3 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 126 | T | 39.7 | Very low | 38.2 | Very low | 138 Ų | 138 | 144 Ų | 144 | 85% | 0.847 | 78% | 0.784 | S | S | * | * | 172.3 | 141.1 | 67.8 | 27.5 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 127 | G | 35.2 | Very low | 38.8 | Very low | 71 Ų | 71 | 143.3 Ų | 143.3 | 73% | 0.732 | 78% | 0.781 | S | S | * | * | trans | 59.4 | 140.9 | 150.7 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 128 | T | 39.4 | Very low | 38.7 | Very low | 119 Ų | 119 | 143.8 Ų | 143.8 | 73% | 0.73 | 78% | 0.783 | S | S | * | * | cis | -170.9 | 134 | 14.7 | -37.2 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 129 | Q | 38.5 | Very low | 38.7 | Very low | 144 Ų | 144 | 148 Ų | 148 | 67% | 0.673 | 79% | 0.786 | S | S | * | * | trans | 44.4 | 129.5 | 144.6 | -59.8 | 178.3 | 2.8 | 0 | 0 | 119.3 | ||||
| 130 | Y | 36.2 | Very low | 38.5 | Very low | 217 Ų | 217 | 148.2 Ų | 148.2 | 85% | 0.851 | 79% | 0.785 | S | S | * | * | -151.3 | 135.2 | 59.2 | -92.7 | -94.7 | 0 | 0 | 0 | 112.7 | |||||
| 131 | T | 41.5 | Very low | 38.5 | Very low | 125 Ų | 125 | 149 Ų | 149 | 77% | 0.767 | 78% | 0.784 | S | S | * | * | trans | -82.5 | 152.6 | 176 | 44.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 132 | R | 39.1 | Very low | 38.6 | Very low | 236 Ų | 236 | 148.8 Ų | 148.8 | 89% | 0.891 | 78% | 0.783 | S | S | * | * | 176.6 | 159.9 | 124.5 | -119.4 | -161.4 | 161.5 | 156.2 | -4.3 | 113.8 | |||||
| 133 | P | 40.9 | Very low | 38.4 | Very low | 103 Ų | 103 | 147.6 Ų | 147.6 | 67% | 0.669 | 78% | 0.78 | S | S | * | * | -131.2 | 164.9 | -93.4 | 41.3 | -24.4 | 0 | 0 | 0 | 114.6 | |||||
| 134 | E | 39.3 | Very low | 38.4 | Very low | 170 Ų | 170 | 155.9 Ų | 155.9 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | trans | -66.8 | 149.9 | 159.4 | -73.5 | -165.1 | 142.1 | 0 | 0 | 112.3 | ||||
| 135 | E | 41.7 | Very low | 38.3 | Very low | 189 Ų | 189 | 151.9 Ų | 151.9 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | trans | -113.4 | 112.5 | 154 | -84 | -168.9 | 141.8 | 0 | 0 | 109.7 | ||||
| 136 | S | 39.3 | Very low | 38.6 | Very low | 98 Ų | 98 | 152.2 Ų | 152.2 | 69% | 0.685 | 80% | 0.796 | S | S | * | * | trans | -101.5 | 132.5 | 166.9 | 17.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 137 | K | 46.5 | Very low | 39 | Very low | 188 Ų | 188 | 154.3 Ų | 154.3 | 82% | 0.817 | 80% | 0.797 | S | S | * | * | trans | -145.3 | 103 | 158.2 | -66.6 | -175.7 | -178.2 | 175.6 | 0 | 104.8 | ||||
| 138 | Q | 35.1 | Very low | 40.3 | Very low | 180 Ų | 180 | 156 Ų | 156 | 84% | 0.841 | 80% | 0.795 | S | S | * | * | 49 | 101.1 | 71.5 | -152.9 | 179 | 3.7 | 0 | 0 | 112.8 | |||||
| 139 | Y | 35.7 | Very low | 41.5 | Very low | 224 Ų | 224 | 156 Ų | 156 | 88% | 0.878 | 80% | 0.797 | S | S | * | * | trans | -177.7 | 102.9 | 145.5 | -101.4 | -77.4 | 0 | 0 | 0 | 106 | ||||
| 140 | T | 37.5 | Very low | 42.9 | Very low | 111 Ų | 111 | 154.7 Ų | 154.7 | 68% | 0.681 | 80% | 0.801 | S | S | * | * | 76.6 | 114.1 | 92.1 | -52.7 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 141 | D | 35.9 | Very low | 44.5 | Very low | 150 Ų | 150 | 149.8 Ų | 149.8 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | trans | -47.3 | 121.6 | 162.5 | -156.2 | -7.6 | 0 | 0 | 0 | 112.4 | ||||
| 142 | Q | 38.8 | Very low | 45.7 | Very low | 177 Ų | 177 | 149.3 Ų | 149.3 | 83% | 0.827 | 80% | 0.795 | S | S | * | * | trans | -165.8 | 120.8 | 152 | -114.2 | 174 | 74.8 | 0 | 0 | 111.5 | ||||
| 143 | S | 37.3 | Very low | 46.9 | Very low | 108 Ų | 108 | 143.5 Ų | 143.5 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | trans | -12.7 | 132.6 | 154.6 | -28.8 | 0 | 0 | 0 | 0 | 116 | ||||
| 144 | R | 36.2 | Very low | 48.1 | Very low | 245 Ų | 245 | 144.6 Ų | 144.6 | 93% | 0.925 | 79% | 0.794 | S | S | * | * | 160.7 | 136.1 | 121.3 | -169.3 | 168 | -169.5 | 177.3 | 1.3 | 110.7 | |||||
| 145 | A | 35.9 | Very low | 49.2 | Very low | 102 Ų | 102 | 144 Ų | 144 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | trans | -49.3 | 134.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 146 | A | 42 | Very low | 49.7 | Very low | 101 Ų | 101 | 140.4 Ų | 140.4 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | trans | -122.9 | 101.1 | 161.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 147 | Q | 47.5 | Very low | 49.9 | Very low | 182 Ų | 182 | 143.3 Ų | 143.3 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 144.1 | 175.5 | -141.2 | 174.4 | -14.8 | 0 | 0 | 109.8 | ||
| 148 | P | 61.2 | Low | 49.9 | Very low | 106 Ų | 106 | 140.9 Ų | 140.9 | 69% | 0.688 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 146.6 | 168 | 26.1 | -33 | 0 | 0 | 0 | 110.1 | ||
| 149 | P | 65.6 | Low | 50.1 | Low | 121 Ų | 121 | 141 Ų | 141 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 136.5 | -179.7 | 24.7 | -32.9 | 0 | 0 | 0 | 110.3 | ||
| 150 | P | 67.8 | Low | 50.3 | Low | 115 Ų | 115 | 134.1 Ų | 134.1 | 75% | 0.747 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 147.4 | 177.1 | 27.1 | -32.9 | 0 | 0 | 0 | 110.8 | ||
| 151 | P | 70.6 | Confident | 50.4 | Low | 114 Ų | 114 | 133.3 Ų | 133.3 | 74% | 0.74 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -62 | 149.9 | 172.2 | 26.7 | -33.4 | 0 | 0 | 0 | 110.9 | ||
| 152 | P | 66.8 | Low | 50.6 | Low | 116 Ų | 116 | 134.8 Ų | 134.8 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 146.3 | 177.8 | 25 | -33.2 | 0 | 0 | 0 | 111.3 | ||
| 153 | P | 63.7 | Low | 50.4 | Low | 114 Ų | 114 | 137.4 Ų | 137.4 | 74% | 0.74 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 143.4 | -177.4 | 26.1 | -33.5 | 0 | 0 | 0 | 111.6 | ||
| 154 | P | 65.5 | Low | 50.6 | Low | 125 Ų | 125 | 139.4 Ų | 139.4 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 135.1 | 171.8 | 26.3 | -30.8 | 0 | 0 | 0 | 110.4 | ||
| 155 | L | 61.8 | Low | 50.7 | Low | 157 Ų | 157 | 133.4 Ų | 133.4 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 145.1 | 173.8 | -73.3 | 163.6 | 0 | 0 | 0 | 111 | L157 | L155-L157 PolarHBondContact O-N 3.11Š|
| 156 | P | 52.4 | Low | 50.9 | Low | 114 Ų | 114 | 133.1 Ų | 133.1 | 74% | 0.74 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 119.2 | -175.6 | 26.2 | -32.1 | 0 | 0 | 0 | 111.2 | V158 | P156-V158 PolarHBondContact O-N 3.44Š|
| 157 | L | 44.3 | Very low | 50.6 | Low | 160 Ų | 160 | 134.3 Ų | 134.3 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | trans | -73.1 | 108 | 164.7 | -113.4 | 101.9 | 0 | 0 | 0 | 108.9 | L155 H159 | L155-L157 PolarHBondContact O-N 3.11Å; L157-H159 PolarHBondContact O-N 2.91Å; L157-H159 PolarHBondContact O-ND1 2.89Å | ||
| 158 | V | 46.5 | Very low | 50.1 | Low | 136 Ų | 136 | 129.4 Ų | 129.4 | 82% | 0.824 | 79% | 0.792 | S | S | * | * | trans | -62.3 | 122.3 | 169.6 | 178.2 | 0 | 0 | 0 | 0 | 108.6 | P156 | P156-V158 PolarHBondContact O-N 3.44Š| ||
| 159 | H | 39.9 | Very low | 48.8 | Very low | 183 Ų | 183 | 132.2 Ų | 132.2 | 85% | 0.847 | 80% | 0.801 | S | S | * | * | trans | -69.5 | 129.9 | 175.8 | -73.6 | 45.7 | 0 | 0 | 0 | 110.4 | L157 | L157-H159 PolarHBondContact O-N 2.91Å; L157-H159 PolarHBondContact O-ND1 2.89Å | ||
| 160 | G | 38.5 | Very low | 47.6 | Very low | 79 Ų | 79 | 133.2 Ų | 133.2 | 81% | 0.814 | 81% | 0.805 | S | S | * | * | trans | -134.5 | 79.9 | 163.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 161 | A | 40.1 | Very low | 46.2 | Very low | 95 Ų | 95 | 135.3 Ų | 135.3 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | trans | -71.5 | 127.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 162 | Q | 40.2 | Very low | 44.6 | Very low | 181 Ų | 181 | 136.5 Ų | 136.5 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | trans | -144.8 | 126 | 136.3 | -83.5 | -149.4 | 19.5 | 0 | 0 | 110.2 | ||||
| 163 | R | 35.6 | Very low | 43.2 | Very low | 231 Ų | 231 | 139 Ų | 139 | 87% | 0.872 | 81% | 0.806 | S | S | * | * | trans | -109.1 | 113.8 | -178.9 | -170.2 | -167.1 | -145.4 | -161.8 | 6.8 | 104.5 | V165 | R163-V165 HydrophobicContact CG-CG2 4.49Š| ||
| 164 | I | 40.7 | Very low | 41.9 | Very low | 151 Ų | 151 | 140.9 Ų | 140.9 | 77% | 0.774 | 81% | 0.805 | S | S | * | * | trans | -130.7 | 118.1 | 159.7 | -59.6 | -177.9 | 0 | 0 | 0 | 107.8 | ||||
| 165 | V | 37.6 | Very low | 40.4 | Very low | 119 Ų | 119 | 143 Ų | 143 | 72% | 0.721 | 80% | 0.804 | S | S | * | * | trans | -92 | 133.5 | 174 | -170.7 | 0 | 0 | 0 | 0 | 105.7 | R163 | R163-V165 HydrophobicContact CG-CG2 4.49Š| ||
| 166 | A | 39.8 | Very low | 39.4 | Very low | 96 Ų | 96 | 141.7 Ų | 141.7 | 79% | 0.793 | 81% | 0.808 | S | S | * | * | trans | -179.1 | 120.4 | 142 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 167 | S | 36.8 | Very low | 38.8 | Very low | 126 Ų | 126 | 140.8 Ų | 140.8 | 88% | 0.881 | 81% | 0.805 | S | S | * | * | trans | -58.7 | 156 | 163.7 | -50.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 168 | G | 37.3 | Very low | 38.6 | Very low | 78 Ų | 78 | 141.4 Ų | 141.4 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | 171.8 | 82.6 | 165.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 169 | N | 34.4 | Very low | 38.4 | Very low | 166 Ų | 166 | 144.3 Ų | 144.3 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | trans | -51.2 | 149.5 | 154.5 | -103.2 | -10.5 | 0 | 0 | 0 | 110.1 | ||||
| 170 | V | 40.3 | Very low | 38.2 | Very low | 141 Ų | 141 | 141.6 Ų | 141.6 | 86% | 0.855 | 80% | 0.804 | S | S | * | * | -176.6 | 142.5 | 123.2 | 158.8 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 171 | Q | 38.2 | Very low | 38.2 | Very low | 160 Ų | 160 | 142 Ų | 142 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | trans | -67.3 | 166.6 | -177.5 | -58.9 | 157.4 | -68.4 | 0 | 0 | 113.7 | ||||
| 172 | N | 36.2 | Very low | 38.1 | Very low | 138 Ų | 138 | 143.3 Ų | 143.3 | 74% | 0.738 | 80% | 0.798 | S | S | * | * | 125.3 | 146.8 | 124.5 | -86.6 | -10.9 | 0 | 0 | 0 | 118.5 | |||||
| 173 | E | 37.4 | Very low | 38.1 | Very low | 168 Ų | 168 | 144.3 Ų | 144.3 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | trans | 82.6 | 99.3 | 161 | -72.5 | 173.7 | 118.2 | 0 | 0 | 117.2 | ||||
| 174 | Q | 36.2 | Very low | 38.1 | Very low | 155 Ų | 155 | 136.4 Ų | 136.4 | 72% | 0.724 | 79% | 0.79 | S | S | * | * | 68.3 | 108.7 | 72.2 | -78.8 | -172.4 | -48.5 | 0 | 0 | 114.2 | |||||
| 175 | Q | 34.1 | Very low | 38 | Very low | 169 Ų | 169 | 139.7 Ų | 139.7 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | trans | 57 | 110.9 | 131.4 | -61.4 | -178.1 | -4.5 | 0 | 0 | 118.2 | ||||
| 176 | S | 40.8 | Very low | 38.3 | Very low | 129 Ų | 129 | 141.7 Ų | 141.7 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | trans | -146.3 | 126.7 | 133.4 | -164 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 177 | S | 40.1 | Very low | 38.6 | Very low | 96 Ų | 96 | 142.4 Ų | 142.4 | 67% | 0.671 | 79% | 0.793 | S | S | * | * | trans | -94.3 | 172.2 | -177 | -53.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 178 | E | 40.6 | Very low | 39.1 | Very low | 172 Ų | 172 | 142.2 Ų | 142.2 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | 91.9 | 106.5 | 159.4 | -55.1 | -178.3 | 166.9 | 0 | 0 | 116.4 | ||||
| 179 | H | 42.5 | Very low | 40 | Very low | 198 Ų | 198 | 145.1 Ų | 145.1 | 92% | 0.917 | 77% | 0.774 | S | S | * | * | -155.5 | 120.1 | 115.2 | -103 | -74.4 | 0 | 0 | 0 | 110.8 | |||||
| 180 | T | 33.7 | Very low | 41.1 | Very low | 125 Ų | 125 | 140.7 Ų | 140.7 | 77% | 0.767 | 76% | 0.756 | S | S | * | * | trans | -82.8 | 133.5 | 176.4 | -62 | 0 | 0 | 0 | 0 | 111.1 | V182 | T180-V182 HydrophobicContact CG2-CG2 4.48Š| ||
| 181 | A | 39.8 | Very low | 42 | Very low | 89 Ų | 89 | 139 Ų | 139 | 74% | 0.736 | 74% | 0.742 | S | S | * | * | trans | -168.4 | 95.3 | 148.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 182 | V | 36.9 | Very low | 43.2 | Very low | 121 Ų | 121 | 137.8 Ų | 137.8 | 73% | 0.733 | 74% | 0.737 | S | S | * | * | 55.3 | 87 | 98.7 | -176.3 | 0 | 0 | 0 | 0 | 112.3 | T180 | T180-V182 HydrophobicContact CG2-CG2 4.48Š| |||
| 183 | F | 40 | Very low | 44.8 | Very low | 202 Ų | 202 | 138 Ų | 138 | 89% | 0.886 | 73% | 0.731 | S | S | * | * | trans | -166.9 | 113.8 | 139 | -101.8 | -74.8 | 0 | 0 | 0 | 106.7 | ||||
| 184 | G | 36.7 | Very low | 46.3 | Very low | 66 Ų | 66 | 136.5 Ų | 136.5 | 68% | 0.68 | 72% | 0.724 | S | S | * | * | trans | -73.2 | 143.3 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 185 | Y | 38.3 | Very low | 48.2 | Very low | 219 Ų | 219 | 135.8 Ų | 135.8 | 86% | 0.859 | 72% | 0.721 | S | S | * | * | trans | -156.8 | 123 | 156.1 | -91.5 | -76.5 | 0 | 0 | 0 | 109.3 | ||||
| 186 | E | 43.9 | Very low | 50.2 | Low | 162 Ų | 162 | 132.4 Ų | 132.4 | 76% | 0.757 | 71% | 0.707 | S | S | * | * | trans | 47.5 | 125.8 | 144.6 | -70.5 | -83.2 | 125.1 | 0 | 0 | 120 | N188 | E186-N188 PolarHBondContact O-N 3.4Å; E186-N188 VanDerWaalsContact O-N 3.16Å | ||
| 187 | P | 47.5 | Very low | 51.8 | Low | 111 Ų | 111 | 131.7 Ų | 131.7 | 72% | 0.721 | 69% | 0.693 | S | S | * | * | trans | -66.5 | 117 | 172.1 | 28.9 | -29.5 | 0 | 0 | 0 | 109.2 | E189 | P187-E189 PolarHBondContact O-N 2.96Š| ||
| 188 | N | 47 | Very low | 53.7 | Low | 121 Ų | 121 | 133.7 Ų | 133.7 | 65% | 0.647 | 69% | 0.692 | S | S | * | * | trans | -58.1 | 107.1 | 177.2 | -102.9 | -30 | 0 | 0 | 0 | 110.1 | E186 S190 D191 | E186-N188 PolarHBondContact O-N 3.4Å; E186-N188 VanDerWaalsContact O-N 3.16Å; N188-S190 PolarHBondContact O-N 2.94Å; N188-D191 PolarHBondContact O-N 3.05Å; N188-D191 VanDerWaalsContact O-N 3.09Å | ||
| 189 | E | 55 | Low | 55.6 | Low | 140 Ų | 140 | 130.6 Ų | 130.6 | 65% | 0.654 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -53.6 | -10.5 | 169.1 | -62.2 | -170.7 | 148.3 | 0 | 0 | 113.5 | P187 K193 | P187-E189 PolarHBondContact O-N 2.96Å; E189-K193 WeakPolarHBondContact O-CG 3.24Å; E189-K193 PolarHBondContact O-N 3.01Å |
| 190 | S | 57.3 | Low | 57.3 | Low | 73 Ų | 73 | 125.8 Ų | 125.8 | 51% | 0.51 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -74.3 | -32.9 | 178.5 | -55.7 | 0 | 0 | 0 | 0 | 113.1 | N188 Q194 | N188-S190 PolarHBondContact O-N 2.94Å; S190-Q194 PolarHBondContact O-N 2.9Å |
| 191 | D | 59.8 | Low | 59.5 | Low | 104 Ų | 104 | 122.6 Ų | 122.6 | 56% | 0.556 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -78.5 | -37.5 | -179.1 | -82.7 | -15.2 | 0 | 0 | 0 | 111.7 | N188 Q194 Q195 | N188-D191 PolarHBondContact O-N 3.05Å; N188-D191 VanDerWaalsContact O-N 3.09Å; D191-Q194 PolarHBondContact O-N 2.83Å; D191-Q195 PolarHBondContact O-N 2.84Å |
| 192 | E | 64.2 | Low | 61.3 | Low | 135 Ų | 135 | 127.7 Ų | 127.7 | 63% | 0.631 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -64.7 | -41.6 | 172 | -87.5 | -170.9 | 142.9 | 0 | 0 | 111.3 | Q194 Q195 I196 | E192-Q194 VanDerWaalsContact C-N 3.32Å; E192-Q194 PolarHBondContact O-N 2.72Å; E192-Q195 PolarHBondContact O-N 3.09Å; E192-I196 WeakPolarHBondContact O-CB 3.37Å; E192-I196 WeakPolarHBondContact O-CD1 3.38Å; E192-I196 WeakPolarHBondContact O-CG1 3.18Å; E192-I196 PolarHBondContact O-N 2.98Å |
| 193 | K | 68.2 | Low | 63.3 | Low | 143 Ų | 143 | 128 Ų | 128 | 62% | 0.622 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -65.3 | -35.4 | 176.1 | -77.8 | 177 | -178.2 | 166.3 | 0 | 112.3 | E189 N197 | E189-K193 WeakPolarHBondContact O-CG 3.24Å; E189-K193 PolarHBondContact O-N 3.01Å; K193-N197 WeakPolarHBondContact O-CB 3.35Å; K193-N197 PolarHBondContact O-N 3.16Å; K193-N197 VanDerWaalsContact O-N 3.07Å |
| 194 | Q | 70.4 | Confident | 65 | Low | 136 Ų | 136 | 123.6 Ų | 123.6 | 64% | 0.636 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -69.4 | -44.2 | 173.9 | -81.2 | -174.6 | -7 | 0 | 0 | 112.2 | S190 D191 E192 I196 N197 E198 | S190-Q194 PolarHBondContact O-N 2.9Å; D191-Q194 PolarHBondContact O-N 2.83Å; E192-Q194 VanDerWaalsContact C-N 3.32Å; E192-Q194 PolarHBondContact O-N 2.72Å; Q194-I196 PolarHBondContact O-N 3.06Å; Q194-N197 PolarHBondContact O-N 3.34Å; Q194-E198 WeakPolarHBondContact O-CB 3.38Å; Q194-E198 PolarHBondContact O-N 3.21Å |
| 195 | Q | 76 | Confident | 66.7 | Low | 140 Ų | 140 | 123.4 Ų | 123.4 | 65% | 0.654 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -60.6 | -44 | 175.2 | -88.2 | -174.2 | 6.1 | 0 | 0 | 112.3 | D191 E192 N197 E198 E199 | D191-Q195 PolarHBondContact O-N 2.84Å; E192-Q195 PolarHBondContact O-N 3.09Å; Q195-N197 VanDerWaalsContact C-N 3.32Å; Q195-N197 PolarHBondContact O-N 3.12Å; Q195-E198 PolarHBondContact O-N 3.44Å; Q195-E199 WeakPolarHBondContact O-CB 3.48Å; Q195-E199 PolarHBondContact O-N 2.87Å |
| 196 | I | 74.9 | Confident | 68.2 | Low | 98 Ų | 98 | 119.7 Ų | 119.7 | 50% | 0.503 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -64.4 | -39.6 | 178.5 | -66.8 | 163.3 | 0 | 0 | 0 | 110.5 | E192 Q194 E199 L200 | E192-I196 WeakPolarHBondContact O-CB 3.37Å; E192-I196 WeakPolarHBondContact O-CD1 3.38Å; E192-I196 WeakPolarHBondContact O-CG1 3.18Å; E192-I196 PolarHBondContact O-N 2.98Å; Q194-I196 PolarHBondContact O-N 3.06Å; I196-E199 PolarHBondContact O-N 2.86Å; I196-L200 WeakPolarHBondContact O-CB 3.41Å; I196-L200 PolarHBondContact O-N 3.32Å |
| 197 | N | 74.7 | Confident | 69.1 | Low | 115 Ų | 115 | 116 Ų | 116 | 62% | 0.615 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -70.2 | -35.4 | 179 | -138.9 | 15 | 0 | 0 | 0 | 112 | K193 Q194 Q195 A201 | K193-N197 WeakPolarHBondContact O-CB 3.35Å; K193-N197 PolarHBondContact O-N 3.16Å; K193-N197 VanDerWaalsContact O-N 3.07Å; Q194-N197 PolarHBondContact O-N 3.34Å; Q195-N197 VanDerWaalsContact C-N 3.32Å; Q195-N197 PolarHBondContact O-N 3.12Å; N197-A201 VanDerWaalsContact O-CB 3.3Å; N197-A201 WeakPolarHBondContact O-CB 3.4Å; N197-A201 PolarHBondContact O-N 3.38Å |
| 198 | E | 81.1 | Confident | 69.7 | Low | 138 Ų | 138 | 118.6 Ų | 118.6 | 65% | 0.645 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -71.7 | -38.1 | 175.9 | -142.6 | 176.3 | -161 | 0 | 0 | 111.7 | Q194 Q195 A201 R202 | Q194-E198 WeakPolarHBondContact O-CB 3.38Å; Q194-E198 PolarHBondContact O-N 3.21Å; Q195-E198 PolarHBondContact O-N 3.44Å; E198-A201 PolarHBondContact O-N 3.11Å; E198-R202 PolarHBondContact O-N 3.25Å |
| 199 | E | 79.1 | Confident | 70.1 | Confident | 107 Ų | 107 | 119.8 Ų | 119.8 | 50% | 0.5 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -68.5 | -37.1 | 174.2 | -146.6 | -157.4 | 153 | 0 | 0 | 111.6 | Q195 I196 R202 K203 | Q195-E199 WeakPolarHBondContact O-CB 3.48Å; Q195-E199 PolarHBondContact O-N 2.87Å; I196-E199 PolarHBondContact O-N 2.86Å; E199-R202 PolarHBondContact O-N 2.99Å; E199-K203 WeakPolarHBondContact O-CG 3.44Å; E199-K203 PolarHBondContact O-N 2.92Å; E199-K203 WeakPolarHBondContact OE1-CE 3.3Å; E199-K203 IonicContact OE1-NZ 3.52Å; E199-K203 PolarHBondContact OE1-NZ 3.24Å |
| 200 | L | 78.1 | Confident | 69.6 | Low | 97 Ų | 97 | 118.1 Ų | 118.1 | 51% | 0.508 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -71.4 | -37 | 176.3 | -159.8 | 126.8 | 0 | 0 | 0 | 111.7 | I196 K203 L204 | I196-L200 WeakPolarHBondContact O-CB 3.41Å; I196-L200 PolarHBondContact O-N 3.32Å; L200-K203 PolarHBondContact O-N 3.26Å; L200-L204 HydrophobicContact CD2-CD1 3.75Å; L200-L204 WeakPolarHBondContact O-CB 3.33Å; L200-L204 PolarHBondContact O-N 2.8Å |
| 201 | A | 80 | Confident | 69.4 | Low | 58 Ų | 58 | 124.5 Ų | 124.5 | 48% | 0.479 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -64.7 | -39.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | N197 E198 A205 | N197-A201 VanDerWaalsContact O-CB 3.3Å; N197-A201 WeakPolarHBondContact O-CB 3.4Å; N197-A201 PolarHBondContact O-N 3.38Å; E198-A201 PolarHBondContact O-N 3.11Å; A201-A205 WeakPolarHBondContact O-CB 3.42Å; A201-A205 PolarHBondContact O-N 2.89Å |
| 202 | R | 78.6 | Confident | 68.9 | Low | 195 Ų | 195 | 124.5 Ų | 124.5 | 74% | 0.736 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -64 | -45.5 | 171.4 | -96 | -174.3 | 174.5 | 146 | 0.8 | 112.1 | E198 E199 L204 A205 E206 | E198-R202 PolarHBondContact O-N 3.25Å; E199-R202 PolarHBondContact O-N 2.99Å; R202-L204 PolarHBondContact O-N 2.85Å; R202-A205 PolarHBondContact O-N 3.47Å; R202-E206 VanDerWaalsContact O-CB 3.32Å; R202-E206 WeakPolarHBondContact O-CB 3.39Å; R202-E206 PolarHBondContact O-N 2.83Å |
| 203 | K | 78.9 | Confident | 68.1 | Low | 129 Ų | 129 | 122.7 Ų | 122.7 | 56% | 0.561 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -66.1 | -35.3 | 178.7 | -77.4 | 178.7 | -175.7 | 156.7 | 0 | 112.7 | E199 L200 A207 | E199-K203 WeakPolarHBondContact O-CG 3.44Å; E199-K203 PolarHBondContact O-N 2.92Å; E199-K203 WeakPolarHBondContact OE1-CE 3.3Å; E199-K203 IonicContact OE1-NZ 3.52Å; E199-K203 PolarHBondContact OE1-NZ 3.24Å; L200-K203 PolarHBondContact O-N 3.26Å; K203-A207 WeakPolarHBondContact O-CB 3.45Å; K203-A207 PolarHBondContact O-N 3.19Å |
| 204 | L | 74.6 | Confident | 67.2 | Low | 108 Ų | 108 | 122 Ų | 122 | 57% | 0.565 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -68.8 | -43.3 | 172.4 | -85.1 | 161.2 | 0 | 0 | 0 | 111.9 | L200 R202 E206 A207 E208 | L200-L204 HydrophobicContact CD2-CD1 3.75Å; L200-L204 WeakPolarHBondContact O-CB 3.33Å; L200-L204 PolarHBondContact O-N 2.8Å; R202-L204 PolarHBondContact O-N 2.85Å; L204-E206 VanDerWaalsContact C-N 3.29Å; L204-E206 PolarHBondContact O-N 2.95Å; L204-A207 PolarHBondContact O-N 3.14Å; L204-E208 VanDerWaalsContact O-CB 3.28Å; L204-E208 WeakPolarHBondContact O-CB 3.31Å; L204-E208 PolarHBondContact O-N 2.89Å |
| 205 | A | 72.2 | Confident | 66.5 | Low | 63 Ų | 63 | 120.8 Ų | 120.8 | 52% | 0.521 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -66.1 | -30.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | A201 R202 K209 | A201-A205 WeakPolarHBondContact O-CB 3.42Å; A201-A205 PolarHBondContact O-N 2.89Å; R202-A205 PolarHBondContact O-N 3.47Å; A205-K209 PolarHBondContact O-N 3.33Å |
| 206 | E | 70.9 | Confident | 65.9 | Low | 141 Ų | 141 | 118.5 Ų | 118.5 | 66% | 0.659 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -77.1 | -35.5 | 173.7 | -166 | 106 | -138.6 | 0 | 0 | 112 | R202 L204 K209 | R202-E206 VanDerWaalsContact O-CB 3.32Å; R202-E206 WeakPolarHBondContact O-CB 3.39Å; R202-E206 PolarHBondContact O-N 2.83Å; L204-E206 VanDerWaalsContact C-N 3.29Å; L204-E206 PolarHBondContact O-N 2.95Å; E206-K209 WeakPolarHBondContact O-CB 3.43Å |
| 207 | A | 62.9 | Low | 65.7 | Low | 83 Ų | 83 | 117.2 Ų | 117.2 | 69% | 0.686 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -77.7 | -26.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | K203 L204 K209 | K203-A207 WeakPolarHBondContact O-CB 3.45Å; K203-A207 PolarHBondContact O-N 3.19Å; L204-A207 PolarHBondContact O-N 3.14Å; A207-K209 VanDerWaalsContact C-N 3.32Å |
| 208 | E | 58.9 | Low | 65.8 | Low | 167 Ų | 167 | 114.6 Ų | 114.6 | 78% | 0.78 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -83.7 | -7.8 | 175.5 | -148.2 | 179.4 | -161.6 | 0 | 0 | 112.4 | L204 P210 | L204-E208 VanDerWaalsContact O-CB 3.28Å; L204-E208 WeakPolarHBondContact O-CB 3.31Å; L204-E208 PolarHBondContact O-N 2.89Å; E208-P210 WeakPolarHBondContact O-CD 3.3Å |
| 209 | K | 57.1 | Low | 65.7 | Low | 145 Ų | 145 | 116.7 Ų | 116.7 | 63% | 0.63 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -67.8 | 110.7 | 165.3 | -102.9 | 175.8 | -179.3 | 170.2 | 0 | 108.1 | A205 E206 A207 K211 | A205-K209 PolarHBondContact O-N 3.33Å; E206-K209 WeakPolarHBondContact O-CB 3.43Å; A207-K209 VanDerWaalsContact C-N 3.32Å; K209-K211 PolarHBondContact O-N 2.92Å |
| 210 | P | 44.7 | Very low | 65.7 | Low | 105 Ų | 105 | 118.7 Ų | 118.7 | 68% | 0.682 | 65% | 0.651 | S | S | * | * | trans | -59.9 | 122.1 | 177.6 | 25.2 | -31.9 | 0 | 0 | 0 | 108.1 | E208 V212 | E208-P210 WeakPolarHBondContact O-CD 3.3Å; P210-V212 HydrophobicContact CB-CG2 4.01Å; P210-V212 HydrophobicContact CG-CG2 4.12Å; P210-V212 PolarHBondContact O-N 2.91Å | ||
| 211 | K | 53.2 | Low | 65.8 | Low | 208 Ų | 208 | 114.8 Ų | 114.8 | 90% | 0.904 | 63% | 0.633 | S | S | * | * | trans | -71.8 | 72.7 | 170.2 | -165.9 | 144 | -176.4 | 171.8 | 0 | 108 | K209 P213 | K209-K211 PolarHBondContact O-N 2.92Å; K211-P213 WeakPolarHBondContact O-CD 3.48Å | ||
| 212 | V | 49.2 | Very low | 65.8 | Low | 103 Ų | 103 | 119.9 Ų | 119.9 | 62% | 0.624 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 120.5 | 173.1 | -171 | 0 | 0 | 0 | 0 | 105.6 | P210 | P210-V212 HydrophobicContact CB-CG2 4.01Å; P210-V212 HydrophobicContact CG-CG2 4.12Å; P210-V212 PolarHBondContact O-N 2.91Å |
| 213 | P | 46 | Very low | 66.1 | Low | 98 Ų | 98 | 114 Ų | 114 | 64% | 0.636 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 140.1 | 170.4 | 22 | -30 | 0 | 0 | 0 | 107.8 | K211 S215 | K211-P213 WeakPolarHBondContact O-CD 3.48Å; P213-S215 PolarHBondContact O-N 3.25Å |
| 214 | P | 49.3 | Very low | 66.3 | Low | 128 Ų | 128 | 110 Ų | 110 | 83% | 0.831 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -50.3 | 120.8 | 178.1 | 22.3 | -32.3 | 0 | 0 | 0 | 106.9 | A216 | P214-A216 VanDerWaalsContact C-N 3.31Å; P214-A216 PolarHBondContact O-N 3.45Å |
| 215 | S | 55.4 | Low | 66.8 | Low | 110 Ų | 110 | 111.4 Ų | 111.4 | 77% | 0.769 | 63% | 0.625 | S | S | * | * | trans | -63 | 99.3 | -170.6 | 71.2 | 0 | 0 | 0 | 0 | 107.6 | P213 A217 | P213-S215 PolarHBondContact O-N 3.25Å; S215-A217 PolarHBondContact O-N 3.07Å | ||
| 216 | A | 64 | Low | 67.6 | Low | 92 Ų | 92 | 113.5 Ų | 113.5 | 76% | 0.76 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 117 | 167.7 | 0 | 0 | 0 | 0 | 0 | 105.2 | P214 P218 | P214-A216 VanDerWaalsContact C-N 3.31Å; P214-A216 PolarHBondContact O-N 3.45Å; A216-P218 VanDerWaalsContact O-N 3.14Å |
| 217 | A | 71.6 | Confident | 68.4 | Low | 72 Ų | 72 | 114 Ų | 114 | 60% | 0.595 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 126.7 | 179 | 0 | 0 | 0 | 0 | 0 | 107.2 | S215 A221 | S215-A217 PolarHBondContact O-N 3.07Å; A217-A221 HydrophobicContact CB-CB 3.85Å |
| 218 | P | 76.9 | Confident | 69.5 | Low | 60 Ų | 60 | 114.7 Ų | 114.7 | 39% | 0.39 | 61% | 0.612 | S | S | . | * | P | Polyproline II helix | trans | -56.6 | 150.8 | -178.9 | 22.7 | -32.2 | 0 | 0 | 0 | 109.3 | A216 W220 A221 | A216-P218 VanDerWaalsContact O-N 3.14Å; P218-W220 HydrophobicContact CB-CD2 4.46Å; P218-W220 HydrophobicContact CB-CG 4.45Å; P218-W220 HydrophobicContact CB-CZ2 4.35Å; P218-W220 HydrophobicContact CG-CD2 4.13Å; P218-W220 VanDerWaalsContact CG-CE2 3.46Å; P218-W220 HydrophobicContact CG-CH2 4.22Å; P218-W220 HydrophobicContact CG-CZ2 3.52Å; P218-W220 PolarHBondContact O-N 3.46Å; P218-A221 HydrophobicContact CG-CB 4.19Å; P218-A221 WeakPolarHBondContact O-CB 3.36Å; P218-A221 PolarHBondContact O-N 3.34Å |
| 219 | F | 77.1 | Confident | 70.8 | Confident | 181 Ų | 181 | 109.2 Ų | 109.2 | 79% | 0.794 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -52.2 | -33 | -171.9 | 71.5 | -86.9 | 0 | 0 | 0 | 113.6 | A221 | F219-A221 VanDerWaalsContact C-N 3.3Å; F219-A221 PolarHBondContact O-N 3.33Å |
| 220 | W | 80.3 | Confident | 72.2 | Confident | 149 Ų | 149 | 108.2 Ų | 108.2 | 56% | 0.564 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -73.4 | -16.7 | 177.7 | 61.1 | -103.2 | 0 | 0 | 0 | 113.6 | P218 K222 T223 A224 | P218-W220 HydrophobicContact CB-CD2 4.46Å; P218-W220 HydrophobicContact CB-CG 4.45Å; P218-W220 HydrophobicContact CB-CZ2 4.35Å; P218-W220 HydrophobicContact CG-CD2 4.13Å; P218-W220 VanDerWaalsContact CG-CE2 3.46Å; P218-W220 HydrophobicContact CG-CH2 4.22Å; P218-W220 HydrophobicContact CG-CZ2 3.52Å; P218-W220 PolarHBondContact O-N 3.46Å; W220-K222 VanDerWaalsContact C-N 3.34Å; W220-K222 PolarHBondContact O-N 3.44Å; W220-T223 CarbonylContact O-C 3.49Å; W220-T223 PolarHBondContact O-N 3.39Å; W220-A224 HydrophobicContact CE3-CB 4.02Å; W220-A224 HydrophobicContact CZ3-CB 4.33Å; W220-A224 VanDerWaalsContact O-CB 3.29Å; W220-A224 WeakPolarHBondContact O-CB 3.48Å; W220-A224 PolarHBondContact O-N 3.31Å |
| 221 | A | 80.8 | Confident | 74.2 | Confident | 15 Ų | 15 | 109.8 Ų | 109.8 | 12% | 0.124 | 58% | 0.584 | C | S | . | * | H | α-helix | trans | -63.2 | -39.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A217 P218 F219 A224 Q225 | A217-A221 HydrophobicContact CB-CB 3.85Å; P218-A221 HydrophobicContact CG-CB 4.19Å; P218-A221 WeakPolarHBondContact O-CB 3.36Å; P218-A221 PolarHBondContact O-N 3.34Å; F219-A221 VanDerWaalsContact C-N 3.3Å; F219-A221 PolarHBondContact O-N 3.33Å; A221-A224 PolarHBondContact O-N 3.36Å; A221-Q225 WeakPolarHBondContact O-CB 3.3Å; A221-Q225 VanDerWaalsContact O-CG 3.31Å; A221-Q225 WeakPolarHBondContact O-CG 3.47Å; A221-Q225 PolarHBondContact O-N 3.11Å |
| 222 | K | 80.1 | Confident | 75.7 | Confident | 166 Ų | 166 | 104.3 Ų | 104.3 | 72% | 0.722 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -63.6 | -45.7 | 172.4 | -73.7 | -171.5 | 177.2 | -177.1 | 0 | 111.3 | W220 A224 Q225 E226 | W220-K222 VanDerWaalsContact C-N 3.34Å; W220-K222 PolarHBondContact O-N 3.44Å; K222-A224 VanDerWaalsContact C-N 3.32Å; K222-A224 PolarHBondContact O-N 3.12Å; K222-Q225 PolarHBondContact O-N 3.24Å; K222-E226 WeakPolarHBondContact O-CB 3.33Å; K222-E226 PolarHBondContact O-N 2.91Å |
| 223 | T | 83.1 | Confident | 77.5 | Confident | 72 Ų | 72 | 105.2 Ų | 105.2 | 44% | 0.442 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.8 | -36.9 | 177.2 | -47.6 | 0 | 0 | 0 | 0 | 112.2 | W220 K227 | W220-T223 CarbonylContact O-C 3.49Å; W220-T223 PolarHBondContact O-N 3.39Å; T223-K227 WeakPolarHBondContact O-CB 3.37Å; T223-K227 WeakPolarHBondContact O-CG 3.35Å; T223-K227 PolarHBondContact O-N 3.38Å |
| 224 | A | 83.2 | Confident | 79.3 | Confident | 43 Ų | 43 | 107.9 Ų | 107.9 | 36% | 0.355 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -70.4 | -42 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | W220 A221 K222 K227 H228 | W220-A224 HydrophobicContact CE3-CB 4.02Å; W220-A224 HydrophobicContact CZ3-CB 4.33Å; W220-A224 VanDerWaalsContact O-CB 3.29Å; W220-A224 WeakPolarHBondContact O-CB 3.48Å; W220-A224 PolarHBondContact O-N 3.31Å; A221-A224 PolarHBondContact O-N 3.36Å; K222-A224 VanDerWaalsContact C-N 3.32Å; K222-A224 PolarHBondContact O-N 3.12Å; A224-K227 PolarHBondContact O-N 3.41Å; A224-H228 VanDerWaalsContact O-CB 3.3Å; A224-H228 WeakPolarHBondContact O-CB 3.34Å; A224-H228 PolarHBondContact O-N 3.08Å |
| 225 | Q | 86.1 | Confident | 80.6 | Confident | 139 Ų | 139 | 105.3 Ų | 105.3 | 65% | 0.65 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.2 | -42.9 | 172.7 | -77.1 | 176.2 | -19.5 | 0 | 0 | 111.6 | A221 K222 H228 A229 | A221-Q225 WeakPolarHBondContact O-CB 3.3Å; A221-Q225 VanDerWaalsContact O-CG 3.31Å; A221-Q225 WeakPolarHBondContact O-CG 3.47Å; A221-Q225 PolarHBondContact O-N 3.11Å; K222-Q225 PolarHBondContact O-N 3.24Å; Q225-H228 PolarHBondContact O-N 3.49Å; Q225-A229 WeakPolarHBondContact O-CB 3.38Å; Q225-A229 PolarHBondContact O-N 3.31Å |
| 226 | E | 88.7 | Confident | 81.8 | Confident | 107 Ų | 107 | 104.5 Ų | 104.5 | 50% | 0.5 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.2 | -42.4 | 176.5 | -166.9 | -166.7 | 150.7 | 0 | 0 | 111.8 | K222 H228 A229 K230 | K222-E226 WeakPolarHBondContact O-CB 3.33Å; K222-E226 PolarHBondContact O-N 2.91Å; E226-H228 VanDerWaalsContact C-N 3.34Å; E226-A229 PolarHBondContact O-N 3.24Å; E226-K230 WeakPolarHBondContact O-CB 3.27Å; E226-K230 WeakPolarHBondContact O-CG 3.37Å; E226-K230 PolarHBondContact O-N 2.8Å; E226-K230 WeakPolarHBondContact OE1-CE 3.39Å; E226-K230 IonicContact OE1-NZ 3.6Å; E226-K230 PolarHBondContact OE1-NZ 2.86Å |
| 227 | K | 87.2 | Confident | 82.5 | Confident | 151 Ų | 151 | 102.8 Ų | 102.8 | 66% | 0.657 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.8 | -36 | 174.8 | -77.2 | -169.6 | 178 | -172.8 | 0 | 112.4 | T223 A224 W231 | T223-K227 WeakPolarHBondContact O-CB 3.37Å; T223-K227 WeakPolarHBondContact O-CG 3.35Å; T223-K227 PolarHBondContact O-N 3.38Å; A224-K227 PolarHBondContact O-N 3.41Å; K227-W231 WeakPolarHBondContact O-CB 3.19Å; K227-W231 PolarHBondContact O-N 3.35Å |
| 228 | H | 85.8 | Confident | 82.7 | Confident | 97 Ų | 97 | 105.7 Ų | 105.7 | 45% | 0.449 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.5 | -47.5 | 174.9 | -171.5 | -84.9 | 0 | 0 | 0 | 111.2 | A224 Q225 E226 K230 W231 E232 | A224-H228 VanDerWaalsContact O-CB 3.3Å; A224-H228 WeakPolarHBondContact O-CB 3.34Å; A224-H228 PolarHBondContact O-N 3.08Å; Q225-H228 PolarHBondContact O-N 3.49Å; E226-H228 VanDerWaalsContact C-N 3.34Å; H228-K230 VanDerWaalsContact C-N 3.33Å; H228-K230 PolarHBondContact O-N 2.79Å; H228-W231 CarbonylContact O-C 3.55Å; H228-W231 WeakPolarHBondContact O-CA 3.38Å; H228-W231 WeakPolarHBondContact O-CB 3.41Å; H228-W231 PolarHBondContact O-N 2.9Å; H228-E232 IonicContact CE1-OE1 2.71Å; H228-E232 PolarHBondContact CE1-OE1 2.71Å; H228-E232 VanDerWaalsContact CE1-OE1 3.23Å; H228-E232 IonicContact CE1-OE2 2.71Å; H228-E232 IonicContact ND1-OE1 3.52Å; H228-E232 IonicContact ND1-OE2 2.7Å; H228-E232 PolarHBondContact ND1-OE2 3.14Å; H228-E232 PolarHBondContact O-N 3.31Å |
| 229 | A | 86.7 | Confident | 82.5 | Confident | 53 Ų | 53 | 109.1 Ų | 109.1 | 44% | 0.438 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.6 | -42.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q225 E226 W231 E232 D233 | Q225-A229 WeakPolarHBondContact O-CB 3.38Å; Q225-A229 PolarHBondContact O-N 3.31Å; E226-A229 PolarHBondContact O-N 3.24Å; A229-W231 VanDerWaalsContact C-N 3.28Å; A229-W231 PolarHBondContact O-N 2.82Å; A229-E232 PolarHBondContact O-N 3.47Å; A229-D233 WeakPolarHBondContact O-CB 3.36Å; A229-D233 PolarHBondContact O-N 3.27Å |
| 230 | K | 87.5 | Confident | 82.2 | Confident | 123 Ų | 123 | 104.9 Ų | 104.9 | 54% | 0.535 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.9 | -31.7 | 173.3 | -78.2 | 174.2 | 171.9 | 165.1 | 0 | 113.2 | E226 H228 R234 | E226-K230 WeakPolarHBondContact O-CB 3.27Å; E226-K230 WeakPolarHBondContact O-CG 3.37Å; E226-K230 PolarHBondContact O-N 2.8Å; E226-K230 WeakPolarHBondContact OE1-CE 3.39Å; E226-K230 IonicContact OE1-NZ 3.6Å; E226-K230 PolarHBondContact OE1-NZ 2.86Å; H228-K230 VanDerWaalsContact C-N 3.33Å; H228-K230 PolarHBondContact O-N 2.79Å; K230-R234 WeakPolarHBondContact O-CB 3.32Å; K230-R234 PolarHBondContact O-N 3.48Å |
| 231 | W | 86.9 | Confident | 81.2 | Confident | 138 Ų | 138 | 104.7 Ų | 104.7 | 52% | 0.523 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -74.6 | -41 | 176.5 | 175.7 | 86.1 | 0 | 0 | 0 | 111.4 | K227 H228 A229 R234 Q235 | K227-W231 WeakPolarHBondContact O-CB 3.19Å; K227-W231 PolarHBondContact O-N 3.35Å; H228-W231 CarbonylContact O-C 3.55Å; H228-W231 WeakPolarHBondContact O-CA 3.38Å; H228-W231 WeakPolarHBondContact O-CB 3.41Å; H228-W231 PolarHBondContact O-N 2.9Å; A229-W231 VanDerWaalsContact C-N 3.28Å; A229-W231 PolarHBondContact O-N 2.82Å; W231-R234 PolarHBondContact O-N 3.07Å; W231-Q235 HydrophobicContact CD2-CG 4.05Å; W231-Q235 HydrophobicContact CE3-CG 4.26Å; W231-Q235 HydrophobicContact CH2-CG 3.9Å; W231-Q235 HydrophobicContact CZ2-CG 3.66Å; W231-Q235 HydrophobicContact CZ3-CG 4.19Å; W231-Q235 WeakPolarHBondContact O-CG 3.15Å; W231-Q235 PolarHBondContact O-N 3.02Å |
| 232 | E | 84.8 | Confident | 80 | Confident | 94 Ų | 94 | 111 Ų | 111 | 44% | 0.439 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.8 | -48.1 | 173.5 | -75.5 | -177.9 | 138.9 | 0 | 0 | 111.5 | H228 A229 R234 Q235 D236 | H228-E232 IonicContact CE1-OE1 2.71Å; H228-E232 PolarHBondContact CE1-OE1 2.71Å; H228-E232 VanDerWaalsContact CE1-OE1 3.23Å; H228-E232 IonicContact CE1-OE2 2.71Å; H228-E232 IonicContact ND1-OE1 3.52Å; H228-E232 IonicContact ND1-OE2 2.7Å; H228-E232 PolarHBondContact ND1-OE2 3.14Å; H228-E232 PolarHBondContact O-N 3.31Å; A229-E232 PolarHBondContact O-N 3.47Å; E232-R234 PolarHBondContact O-N 3.05Å; E232-Q235 WeakPolarHBondContact O-CA 3.19Å; E232-Q235 WeakPolarHBondContact O-CB 3.47Å; E232-Q235 PolarHBondContact O-N 3.32Å; E232-D236 PolarHBondContact O-N 3.14Å |
| 233 | D | 85.4 | Confident | 78.6 | Confident | 121 Ų | 121 | 113.5 Ų | 113.5 | 65% | 0.647 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -57.4 | -37.6 | 176.4 | -169.3 | 44.7 | 0 | 0 | 0 | 111.8 | A229 A237 | A229-D233 WeakPolarHBondContact O-CB 3.36Å; A229-D233 PolarHBondContact O-N 3.27Å; D233-A237 WeakPolarHBondContact O-CB 3.37Å; D233-A237 PolarHBondContact O-N 3.08Å |
| 234 | R | 84.2 | Confident | 77.3 | Confident | 155 Ų | 155 | 115 Ų | 115 | 59% | 0.585 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -69.9 | -37.5 | 174.2 | -166.1 | -178.4 | -65.7 | 173.2 | -2.4 | 112.5 | K230 W231 E232 A237 Y238 | K230-R234 WeakPolarHBondContact O-CB 3.32Å; K230-R234 PolarHBondContact O-N 3.48Å; W231-R234 PolarHBondContact O-N 3.07Å; E232-R234 PolarHBondContact O-N 3.05Å; R234-A237 PolarHBondContact O-N 2.84Å; R234-Y238 HydrophobicContact CG-CD2 4.1Å; R234-Y238 HydrophobicContact CG-CE2 3.64Å; R234-Y238 WeakPolarHBondContact O-CD2 3.36Å; R234-Y238 PolarHBondContact O-N 3.05Å; R234-Y238 VanDerWaalsContact O-N 3.12Å |
| 235 | Q | 76.6 | Confident | 75.4 | Confident | 73 Ų | 73 | 120.3 Ų | 120.3 | 34% | 0.341 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.1 | -41 | 175.2 | -72.3 | -60.7 | -51.9 | 0 | 0 | 111.5 | W231 E232 A237 Y238 Q239 | W231-Q235 HydrophobicContact CD2-CG 4.05Å; W231-Q235 HydrophobicContact CE3-CG 4.26Å; W231-Q235 HydrophobicContact CH2-CG 3.9Å; W231-Q235 HydrophobicContact CZ2-CG 3.66Å; W231-Q235 HydrophobicContact CZ3-CG 4.19Å; W231-Q235 WeakPolarHBondContact O-CG 3.15Å; W231-Q235 PolarHBondContact O-N 3.02Å; E232-Q235 WeakPolarHBondContact O-CA 3.19Å; E232-Q235 WeakPolarHBondContact O-CB 3.47Å; E232-Q235 PolarHBondContact O-N 3.32Å; Q235-A237 VanDerWaalsContact C-N 3.35Å; Q235-Y238 PolarHBondContact O-N 3.37Å; Q235-Q239 PolarHBondContact O-N 3.47Å |
| 236 | D | 80.4 | Confident | 73.1 | Confident | 93 Ų | 93 | 118.6 Ų | 118.6 | 50% | 0.497 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -65.7 | -38.7 | 176.9 | -73.4 | -20.7 | 0 | 0 | 0 | 111.3 | E232 Y238 Q239 T240 | E232-D236 PolarHBondContact O-N 3.14Å; D236-Y238 PolarHBondContact O-N 3.39Å; D236-Q239 PolarHBondContact O-N 2.93Å; D236-T240 WeakPolarHBondContact O-CB 3.38Å; D236-T240 PolarHBondContact O-N 3.5Å; D236-T240 PolarHBondContact O-OG1 3.48Å |
| 237 | A | 78.4 | Confident | 71.1 | Confident | 56 Ų | 56 | 119 Ų | 119 | 46% | 0.463 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -60 | -43.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | D233 R234 Q235 T240 Q241 | D233-A237 WeakPolarHBondContact O-CB 3.37Å; D233-A237 PolarHBondContact O-N 3.08Å; R234-A237 PolarHBondContact O-N 2.84Å; Q235-A237 VanDerWaalsContact C-N 3.35Å; A237-T240 PolarHBondContact O-N 3.37Å; A237-Q241 WeakPolarHBondContact O-CG 3.4Å; A237-Q241 PolarHBondContact O-N 3.46Å; A237-Q241 VanDerWaalsContact O-N 3.13Å |
| 238 | Y | 76.2 | Confident | 68.9 | Low | 133 Ų | 133 | 117.4 Ų | 117.4 | 52% | 0.522 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -65 | -43.5 | 175.4 | -75.7 | -60.5 | 0 | 0 | 0 | 112.3 | R234 Q235 D236 T240 Q241 H242 | R234-Y238 HydrophobicContact CG-CD2 4.1Å; R234-Y238 HydrophobicContact CG-CE2 3.64Å; R234-Y238 WeakPolarHBondContact O-CD2 3.36Å; R234-Y238 PolarHBondContact O-N 3.05Å; R234-Y238 VanDerWaalsContact O-N 3.12Å; Q235-Y238 PolarHBondContact O-N 3.37Å; D236-Y238 PolarHBondContact O-N 3.39Å; Y238-T240 VanDerWaalsContact C-N 3.3Å; Y238-T240 PolarHBondContact O-N 2.86Å; Y238-Q241 PolarHBondContact O-N 2.91Å; Y238-H242 PolarHBondContact O-CD2 3.28Å; Y238-H242 PolarHBondContact O-N 3.44Å; Y238-H242 VanDerWaalsContact O-N 3.13Å |
| 239 | Q | 73.4 | Confident | 66.9 | Low | 132 Ų | 132 | 119.5 Ų | 119.5 | 62% | 0.617 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -63.5 | -37 | 177 | -77.9 | -163.5 | 60.5 | 0 | 0 | 112.4 | Q235 D236 H242 R243 | Q235-Q239 PolarHBondContact O-N 3.47Å; D236-Q239 PolarHBondContact O-N 2.93Å; Q239-H242 PolarHBondContact O-N 2.86Å; Q239-R243 PolarHBondContact O-N 2.8Å; Q239-R243 VanDerWaalsContact O-N 3.11Å |
| 240 | T | 70.3 | Confident | 64.7 | Low | 93 Ų | 93 | 121.1 Ų | 121.1 | 57% | 0.571 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -67.9 | -37.4 | 178.8 | -48.4 | 0 | 0 | 0 | 0 | 111.5 | D236 A237 Y238 R243 | D236-T240 WeakPolarHBondContact O-CB 3.38Å; D236-T240 PolarHBondContact O-N 3.5Å; D236-T240 PolarHBondContact O-OG1 3.48Å; A237-T240 PolarHBondContact O-N 3.37Å; Y238-T240 VanDerWaalsContact C-N 3.3Å; Y238-T240 PolarHBondContact O-N 2.86Å; T240-R243 PolarHBondContact O-N 3.35Å |
| 241 | Q | 59.9 | Low | 62.5 | Low | 145 Ų | 145 | 119.8 Ų | 119.8 | 68% | 0.678 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -69.1 | -31.3 | 174.7 | -67.9 | -133.6 | -33.1 | 0 | 0 | 113.4 | A237 Y238 T244 | A237-Q241 WeakPolarHBondContact O-CG 3.4Å; A237-Q241 PolarHBondContact O-N 3.46Å; A237-Q241 VanDerWaalsContact O-N 3.13Å; Y238-Q241 PolarHBondContact O-N 2.91Å; Q241-T244 PolarHBondContact O-OG1 2.94Å |
| 242 | H | 54.2 | Low | 60.6 | Low | 148 Ų | 148 | 119.8 Ų | 119.8 | 69% | 0.685 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -80.9 | -14.1 | 175.9 | -71.3 | -61.6 | 0 | 0 | 0 | 113.7 | Y238 Q239 | Y238-H242 PolarHBondContact O-CD2 3.28Å; Y238-H242 PolarHBondContact O-N 3.44Å; Y238-H242 VanDerWaalsContact O-N 3.13Å; Q239-H242 PolarHBondContact O-N 2.86Å |
| 243 | R | 51.4 | Low | 58.5 | Low | 217 Ų | 217 | 120.7 Ų | 120.7 | 82% | 0.819 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -85.5 | -17.5 | 177.6 | -126.1 | -177.6 | -162.3 | -160.2 | 5.4 | 114.6 | Q239 T240 | Q239-R243 PolarHBondContact O-N 2.8Å; Q239-R243 VanDerWaalsContact O-N 3.11Å; T240-R243 PolarHBondContact O-N 3.35Å |
| 244 | T | 55.3 | Low | 56.3 | Low | 105 Ų | 105 | 122.2 Ų | 122.2 | 64% | 0.644 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -94.4 | -3.1 | 179 | 46.6 | 0 | 0 | 0 | 0 | 113.9 | Q241 | Q241-T244 PolarHBondContact O-OG1 2.94Š|
| 245 | M | 43.6 | Very low | 54.2 | Low | 154 Ų | 154 | 126.8 Ų | 126.8 | 76% | 0.759 | 69% | 0.693 | S | S | * | * | trans | -108.9 | 52.9 | 175.6 | -64.8 | -75.4 | 151.6 | 0 | 0 | 110.7 | P247 | M245-P247 WeakPolarHBondContact O-CD 3.46Š| ||
| 246 | S | 37.3 | Very low | 52.2 | Low | 103 Ų | 103 | 130.7 Ų | 130.7 | 72% | 0.72 | 72% | 0.716 | S | S | * | * | trans | -86.2 | 112.4 | 163.2 | -92.5 | 0 | 0 | 0 | 0 | 108.6 | S248 | S246-S248 PolarHBondContact O-N 3.27Å; S246-S248 VanDerWaalsContact O-N 3.11Å | ||
| 247 | P | 48 | Very low | 50.4 | Low | 116 Ų | 116 | 131.1 Ų | 131.1 | 75% | 0.753 | 73% | 0.733 | S | S | * | * | trans | -73.8 | 105.3 | 173.7 | 29.8 | -29.4 | 0 | 0 | 0 | 108.3 | M245 V249 | M245-P247 WeakPolarHBondContact O-CD 3.46Å; P247-V249 PolarHBondContact O-N 2.99Å; P247-V249 VanDerWaalsContact O-N 3.12Å | ||
| 248 | S | 40.5 | Very low | 48.7 | Very low | 117 Ų | 117 | 135.2 Ų | 135.2 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | trans | -67.1 | 107.3 | 169.4 | -171 | 0 | 0 | 0 | 0 | 108.8 | S246 A250 | S246-S248 PolarHBondContact O-N 3.27Å; S246-S248 VanDerWaalsContact O-N 3.11Å; S248-A250 PolarHBondContact O-N 3.46Å | ||
| 249 | V | 43.6 | Very low | 47.1 | Very low | 140 Ų | 140 | 140.4 Ų | 140.4 | 85% | 0.848 | 77% | 0.767 | S | S | * | * | trans | -76.4 | 104.5 | 172.9 | -177.8 | 0 | 0 | 0 | 0 | 107.8 | P247 | P247-V249 PolarHBondContact O-N 2.99Å; P247-V249 VanDerWaalsContact O-N 3.12Å | ||
| 250 | A | 41.4 | Very low | 45.6 | Very low | 88 Ų | 88 | 142.1 Ų | 142.1 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | -127.9 | 109.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | S248 | S248-A250 PolarHBondContact O-N 3.46Š| ||
| 251 | A | 41 | Very low | 44.3 | Very low | 94 Ų | 94 | 143.8 Ų | 143.8 | 78% | 0.777 | 78% | 0.78 | S | S | * | * | trans | -62.9 | 138.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 252 | T | 47.2 | Very low | 43.5 | Very low | 139 Ų | 139 | 147 Ų | 147 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | trans | -158.9 | 147.2 | 143.7 | 24.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 253 | P | 40.9 | Very low | 42.7 | Very low | 112 Ų | 112 | 149.1 Ų | 149.1 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | trans | -102.5 | 148.4 | -164.2 | 37.3 | -29.3 | 0 | 0 | 0 | 114.9 | ||||
| 254 | I | 37.8 | Very low | 42 | Very low | 154 Ų | 154 | 145.3 Ų | 145.3 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | trans | 40.8 | 116.4 | 140.3 | -49.4 | 171.7 | 0 | 0 | 0 | 118.3 | ||||
| 255 | R | 39.9 | Very low | 41.3 | Very low | 250 Ų | 250 | 149.8 Ų | 149.8 | 94% | 0.943 | 79% | 0.794 | S | S | * | * | trans | -158.9 | 133.3 | 132.7 | -109.8 | 177.2 | -165.5 | -167.4 | 4.2 | 112.9 | ||||
| 256 | N | 36.3 | Very low | 41.1 | Very low | 156 Ų | 156 | 148.2 Ų | 148.2 | 83% | 0.834 | 79% | 0.793 | S | S | * | * | trans | -59.3 | 148.1 | 177.2 | -67.5 | -40.4 | 0 | 0 | 0 | 114 | ||||
| 257 | A | 42.9 | Very low | 41.3 | Very low | 101 Ų | 101 | 152.4 Ų | 152.4 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | trans | -158.7 | 124.4 | 144.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 258 | D | 41.8 | Very low | 41 | Very low | 142 Ų | 142 | 156.4 Ų | 156.4 | 76% | 0.759 | 81% | 0.807 | S | S | * | * | trans | -59.2 | 148.1 | 176.7 | -63.1 | -67.9 | 0 | 0 | 0 | 114.7 | ||||
| 259 | Y | 42.4 | Very low | 40.9 | Very low | 242 Ų | 242 | 156.3 Ų | 156.3 | 95% | 0.949 | 81% | 0.806 | S | S | * | * | trans | -152.5 | 118 | 143.9 | -102.6 | -80.6 | 0 | 0 | 0 | 110.6 | ||||
| 260 | H | 42.3 | Very low | 40.7 | Very low | 169 Ų | 169 | 160 Ų | 160 | 78% | 0.782 | 81% | 0.805 | S | S | * | * | trans | -103.7 | 167.3 | 178.4 | -100.4 | -29.6 | 0 | 0 | 0 | 112.2 | ||||
| 261 | N | 42.2 | Very low | 40.6 | Very low | 127 Ų | 127 | 164.9 Ų | 164.9 | 68% | 0.679 | 81% | 0.81 | S | S | * | * | trans | 79.8 | 131.2 | 165.8 | -76.3 | -49.6 | 0 | 0 | 0 | 116.6 | ||||
| 262 | Y | 43 | Very low | 40.4 | Very low | 213 Ų | 213 | 166.3 Ų | 166.3 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | cis | -153.4 | 175 | 39.1 | -82 | -100.4 | 0 | 0 | 0 | 109.8 | ||||
| 263 | R | 37.9 | Very low | 39.9 | Very low | 192 Ų | 192 | 164.8 Ų | 164.8 | 73% | 0.725 | 80% | 0.804 | S | S | * | * | cis | 165.7 | 120.1 | -36.4 | -176.2 | 172.1 | -173.2 | 178.5 | -2.9 | 105.7 | ||||
| 264 | H | 37.4 | Very low | 39.8 | Very low | 137 Ų | 137 | 164.6 Ų | 164.6 | 63% | 0.634 | 81% | 0.805 | S | S | * | * | trans | 37.6 | 134 | 158.1 | -55.9 | -59 | 0 | 0 | 0 | 123.4 | ||||
| 265 | H | 40.5 | Very low | 39.8 | Very low | 200 Ų | 200 | 161.7 Ų | 161.7 | 93% | 0.926 | 80% | 0.804 | S | S | * | * | -151.8 | 139 | 123.1 | -80.7 | -62.7 | 0 | 0 | 0 | 110.7 | |||||
| 266 | T | 39.9 | Very low | 39.7 | Very low | 120 Ų | 120 | 155.7 Ų | 155.7 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | trans | -134.8 | 137.9 | -176.1 | 53.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 267 | E | 40.9 | Very low | 39.8 | Very low | 192 Ų | 192 | 156.4 Ų | 156.4 | 90% | 0.897 | 80% | 0.801 | S | S | * | * | trans | -160.2 | 104 | 162.2 | -105.7 | 171 | -178.1 | 0 | 0 | 107.9 | ||||
| 268 | K | 41.5 | Very low | 39.4 | Very low | 200 Ų | 200 | 157.3 Ų | 157.3 | 87% | 0.87 | 80% | 0.796 | S | S | * | * | 65.7 | 105.3 | 83.6 | -71.1 | -174.6 | -177.3 | 175.1 | 0 | 116.6 | |||||
| 269 | S | 38.6 | Very low | 39.2 | Very low | 114 Ų | 114 | 162.4 Ų | 162.4 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | trans | 173.2 | 100.4 | 133.3 | -174.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 270 | R | 39.1 | Very low | 38.7 | Very low | 219 Ų | 219 | 156.7 Ų | 156.7 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | 36.6 | 122 | 99.5 | -62 | -172.3 | -171.5 | 174.5 | 2.4 | 113.5 | |||||
| 271 | F | 38.9 | Very low | 38.3 | Very low | 189 Ų | 189 | 156.2 Ų | 156.2 | 83% | 0.829 | 80% | 0.797 | S | S | * | * | -155.4 | 159.3 | 62.1 | -99 | -94.4 | 0 | 0 | 0 | 114.1 | |||||
| 272 | T | 37.8 | Very low | 37.7 | Very low | 125 Ų | 125 | 154.2 Ų | 154.2 | 77% | 0.767 | 79% | 0.794 | S | S | * | * | trans | -75.2 | 153.8 | -178.5 | 46.5 | 0 | 0 | 0 | 0 | 116 | ||||
| 273 | S | 36.3 | Very low | 37.2 | Very low | 106 Ų | 106 | 154.6 Ų | 154.6 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | 151.4 | 130.9 | 116.7 | -171.7 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 274 | S | 37.8 | Very low | 37.2 | Very low | 108 Ų | 108 | 150.8 Ų | 150.8 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | trans | -20.8 | 160.6 | 154.7 | 41.9 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 275 | A | 37.5 | Very low | 36.9 | Very low | 93 Ų | 93 | 152.4 Ų | 152.4 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | cis | -172.8 | 172.2 | 6.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 276 | P | 39.6 | Very low | 37.2 | Very low | 124 Ų | 124 | 148.8 Ų | 148.8 | 81% | 0.805 | 80% | 0.797 | S | S | * | * | trans | -102.4 | 153.9 | -173 | 37.3 | -29.3 | 0 | 0 | 0 | 114.1 | ||||
| 277 | L | 37.9 | Very low | 37 | Very low | 171 Ų | 171 | 154.1 Ų | 154.1 | 90% | 0.895 | 80% | 0.804 | S | S | * | * | trans | -153.9 | 137.5 | 163 | -100.1 | 164.7 | 0 | 0 | 0 | 112.5 | ||||
| 278 | T | 34.6 | Very low | 36.8 | Very low | 121 Ų | 121 | 149.6 Ų | 149.6 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | trans | -58.5 | 147.8 | 175.2 | 46.4 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 279 | R | 36.6 | Very low | 36.6 | Very low | 248 Ų | 248 | 146.2 Ų | 146.2 | 94% | 0.936 | 79% | 0.79 | S | S | * | * | trans | -170.7 | 141.2 | 131.8 | -109.7 | 172.4 | 168.9 | -179.1 | -4 | 114.6 | ||||
| 280 | T | 31.7 | Very low | 36.4 | Very low | 122 Ų | 122 | 146.2 Ų | 146.2 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | -83.8 | 175.1 | -177.2 | 28 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 281 | L | 33.9 | Very low | 36.4 | Very low | 159 Ų | 159 | 140.3 Ų | 140.3 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | trans | 95.6 | 141.6 | 160.9 | -53.7 | 171.5 | 0 | 0 | 0 | 114.9 | ||||
| 282 | S | 30.5 | Very low | 36.5 | Very low | 86 Ų | 86 | 139.1 Ų | 139.1 | 60% | 0.601 | 78% | 0.779 | S | S | * | * | cis | 169.8 | 164.8 | -29.6 | 46.3 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 283 | Y | 32.1 | Very low | 36.5 | Very low | 221 Ų | 221 | 141.3 Ų | 141.3 | 87% | 0.867 | 78% | 0.78 | S | S | * | * | trans | 76.8 | 137.4 | 166.2 | -91.2 | -114.8 | 0 | 0 | 0 | 115.4 | ||||
| 284 | T | 37.4 | Very low | 36.5 | Very low | 112 Ų | 112 | 142.7 Ų | 142.7 | 69% | 0.687 | 78% | 0.784 | S | S | * | * | cis | -168.4 | 149.6 | 14.5 | -64.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 285 | M | 32.8 | Very low | 36.3 | Very low | 171 Ų | 171 | 141.4 Ų | 141.4 | 84% | 0.842 | 79% | 0.788 | S | S | * | * | trans | -93.7 | 151.8 | 167.9 | -74.8 | -88.1 | -83.6 | 0 | 0 | 111.7 | ||||
| 286 | P | 46.6 | Very low | 36.1 | Very low | 123 Ų | 123 | 140.5 Ų | 140.5 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | trans | -118.1 | 145.5 | 145.8 | 30.7 | -17.2 | 0 | 0 | 0 | 112.6 | ||||
| 287 | R | 34.1 | Very low | 35.7 | Very low | 233 Ų | 233 | 145.5 Ų | 145.5 | 88% | 0.879 | 79% | 0.792 | S | S | * | * | trans | -97.4 | 166.9 | -176.1 | -168.9 | -179.8 | -177.3 | -170.8 | 1.2 | 109.8 | ||||
| 288 | S | 37.7 | Very low | 35.6 | Very low | 97 Ų | 97 | 148.8 Ų | 148.8 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | trans | 86.4 | 137.3 | 162.6 | -58.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 289 | T | 36.3 | Very low | 35.6 | Very low | 129 Ų | 129 | 149.6 Ų | 149.6 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | cis | -171.6 | 165.6 | 2.3 | 18.6 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 290 | S | 35.9 | Very low | 35.7 | Very low | 113 Ų | 113 | 145.4 Ų | 145.4 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | trans | 109.2 | 110.6 | 145.7 | -160 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 291 | S | 37.8 | Very low | 35.7 | Very low | 95 Ų | 95 | 144.3 Ų | 144.3 | 66% | 0.664 | 79% | 0.79 | S | S | * | * | trans | 73.7 | 106.4 | 132.2 | -170 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 292 | Q | 41 | Very low | 35.9 | Very low | 165 Ų | 165 | 146.6 Ų | 146.6 | 77% | 0.771 | 79% | 0.794 | S | S | * | * | trans | 31.9 | 112.9 | 132.3 | -60.4 | -175.9 | 9.2 | 0 | 0 | 117.5 | ||||
| 293 | Q | 38.2 | Very low | 36.1 | Very low | 170 Ų | 170 | 148.1 Ų | 148.1 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | 174.6 | 132.2 | 97.6 | -91.5 | -165 | -9.8 | 0 | 0 | 110.5 | |||||
| 294 | V | 36.1 | Very low | 36.2 | Very low | 135 Ų | 135 | 149.3 Ų | 149.3 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | 60.3 | 106 | 139.5 | -173 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 295 | G | 33.2 | Very low | 36 | Very low | 81 Ų | 81 | 149.9 Ų | 149.9 | 84% | 0.835 | 81% | 0.813 | S | S | * | * | 74.2 | 115.2 | 124.7 | 0 | 0 | 0 | 0 | 0 | 119 | |||||
| 296 | G | 33.7 | Very low | 36.1 | Very low | 74 Ų | 74 | 147.7 Ų | 147.7 | 76% | 0.763 | 82% | 0.815 | S | S | * | * | trans | 145.2 | 97.3 | 155.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 297 | Y | 32.2 | Very low | 35.5 | Very low | 230 Ų | 230 | 144.7 Ų | 144.7 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | trans | -59 | 137.9 | 175.9 | -44.9 | -90.3 | 0 | 0 | 0 | 113.4 | ||||
| 298 | R | 34.6 | Very low | 35.4 | Very low | 239 Ų | 239 | 139.2 Ų | 139.2 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | trans | 162.4 | 112 | 132.9 | -91.8 | 175.2 | -173.6 | -125.3 | 2.6 | 110.9 | ||||
| 299 | T | 34.9 | Very low | 35.2 | Very low | 139 Ų | 139 | 144 Ų | 144 | 85% | 0.853 | 82% | 0.815 | S | S | * | * | trans | -129 | 109.1 | 154.7 | 38.6 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 300 | L | 38 | Very low | 35.1 | Very low | 160 Ų | 160 | 143.4 Ų | 143.4 | 84% | 0.838 | 82% | 0.816 | S | S | * | * | 57.6 | 98.5 | 78.8 | -83.1 | 156.7 | 0 | 0 | 0 | 113.6 | |||||
| 301 | S | 32.4 | Very low | 35.3 | Very low | 99 Ų | 99 | 146.9 Ų | 146.9 | 69% | 0.692 | 81% | 0.812 | S | S | * | * | trans | -28.4 | 141.7 | 158.6 | 42.6 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 302 | K | 37.9 | Very low | 35.3 | Very low | 207 Ų | 207 | 149 Ų | 149 | 90% | 0.9 | 82% | 0.815 | S | S | * | * | -176.7 | 158.4 | 117.4 | -99.4 | 171.1 | -178.7 | 178.1 | 0 | 113.3 | |||||
| 303 | P | 36 | Very low | 35.2 | Very low | 118 Ų | 118 | 150.5 Ų | 150.5 | 77% | 0.766 | 82% | 0.819 | S | S | * | * | trans | -111.4 | 165 | -149.2 | 41.3 | -33.9 | 0 | 0 | 0 | 115.6 | ||||
| 304 | R | 32.5 | Very low | 35.1 | Very low | 246 Ų | 246 | 148 Ų | 148 | 93% | 0.928 | 82% | 0.815 | S | S | * | * | trans | -173.1 | 102.4 | 156.2 | -116.9 | 172.3 | 159.6 | 164.8 | -5.5 | 109.1 | ||||
| 305 | S | 33.9 | Very low | 34.8 | Very low | 124 Ų | 124 | 147.3 Ų | 147.3 | 87% | 0.867 | 82% | 0.815 | S | S | * | * | 59.7 | 98.6 | 88.5 | -169.5 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 306 | S | 35.9 | Very low | 34.9 | Very low | 125 Ų | 125 | 151.2 Ų | 151.2 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | trans | 168.3 | 120.1 | 148.4 | -178.6 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 307 | G | 33.1 | Very low | 34.9 | Very low | 60 Ų | 60 | 152 Ų | 152 | 62% | 0.619 | 81% | 0.813 | S | S | * | * | cis | 134.9 | 128.8 | 33.1 | 0 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 308 | S | 32.8 | Very low | 35.3 | Very low | 117 Ų | 117 | 146.2 Ų | 146.2 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | 63.9 | 105.6 | 172.8 | 70.2 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 309 | E | 33.5 | Very low | 35.1 | Very low | 197 Ų | 197 | 142.5 Ų | 142.5 | 92% | 0.921 | 80% | 0.802 | S | S | * | * | trans | 178.1 | 85.2 | 138 | -99.4 | 165.3 | -167.1 | 0 | 0 | 110.3 | ||||
| 310 | S | 32.6 | Very low | 35.1 | Very low | 118 Ų | 118 | 141.3 Ų | 141.3 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | trans | -151.8 | 91 | 167.4 | 75.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 311 | W | 41.9 | Very low | 35 | Very low | 186 Ų | 186 | 140.3 Ų | 140.3 | 71% | 0.705 | 79% | 0.789 | S | S | * | * | trans | -142 | 3.7 | 161.6 | 60.5 | -90.8 | 0 | 0 | 0 | 115.2 | ||||
| 312 | L | 37 | Very low | 35 | Very low | 138 Ų | 138 | 144.5 Ų | 144.5 | 72% | 0.723 | 80% | 0.798 | S | S | * | * | trans | -103 | 74.9 | 166.4 | -92.5 | 103.7 | 0 | 0 | 0 | 111.5 | V314 | L312-V314 PolarHBondContact O-N 2.9Š| ||
| 313 | K | 39.1 | Very low | 34.9 | Very low | 197 Ų | 197 | 142 Ų | 142 | 86% | 0.857 | 79% | 0.793 | S | S | * | * | trans | -77.1 | 103.3 | 155.1 | -82.6 | -177.6 | 176.7 | 177.6 | 0 | 107.7 | C315 | K313-C315 PolarHBondContact O-N 2.94Š| ||
| 314 | V | 36.1 | Very low | 35 | Very low | 117 Ų | 117 | 143.8 Ų | 143.8 | 71% | 0.709 | 80% | 0.796 | S | S | * | * | trans | -56.4 | 106.1 | 157.8 | 176.5 | 0 | 0 | 0 | 0 | 106.3 | L312 M316 | L312-V314 PolarHBondContact O-N 2.9Å; V314-M316 HydrophobicContact CG1-CG 4.04Å; V314-M316 PolarHBondContact O-N 3.49Å | ||
| 315 | C | 29.2 | Very low | 34.9 | Very low | 122 Ų | 122 | 143.6 Ų | 143.6 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | trans | -67.5 | 86.6 | 167.8 | -62.2 | 0 | 0 | 0 | 0 | 107.8 | K313 A317 | K313-C315 PolarHBondContact O-N 2.94Å; C315-A317 PolarHBondContact O-N 3.2Å | ||
| 316 | M | 35.7 | Very low | 35.1 | Very low | 163 Ų | 163 | 143.5 Ų | 143.5 | 80% | 0.803 | 79% | 0.791 | S | S | * | * | trans | -66.8 | 113.3 | 155.8 | -62.2 | -129.8 | 80.6 | 0 | 0 | 105.9 | V314 | V314-M316 HydrophobicContact CG1-CG 4.04Å; V314-M316 PolarHBondContact O-N 3.49Å | ||
| 317 | A | 33.9 | Very low | 34.9 | Very low | 90 Ų | 90 | 147.7 Ų | 147.7 | 74% | 0.744 | 79% | 0.79 | S | S | * | * | trans | -57.9 | 132.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | C315 | C315-A317 PolarHBondContact O-N 3.2Š| ||
| 318 | P | 39.5 | Very low | 35.2 | Very low | 109 Ų | 109 | 150 Ų | 150 | 71% | 0.708 | 79% | 0.791 | S | S | * | * | trans | -68 | 142.3 | 178.6 | 28.6 | -31.6 | 0 | 0 | 0 | 109.5 | V320 | P318-V320 WeakPolarHBondContact O-CG2 3.44Å; P318-V320 PolarHBondContact O-N 2.84Å | ||
| 319 | N | 30.3 | Very low | 35.5 | Very low | 161 Ų | 161 | 149.7 Ų | 149.7 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | trans | -47.8 | 109.8 | 167.1 | -86.5 | -35.3 | 0 | 0 | 0 | 109.9 | ||||
| 320 | V | 35.6 | Very low | 35.4 | Very low | 113 Ų | 113 | 147.6 Ų | 147.6 | 69% | 0.685 | 78% | 0.782 | S | S | * | * | trans | -101 | 65.3 | 168.1 | -171.5 | 0 | 0 | 0 | 0 | 107.8 | P318 | P318-V320 WeakPolarHBondContact O-CG2 3.44Å; P318-V320 PolarHBondContact O-N 2.84Å | ||
| 321 | D | 35.6 | Very low | 35.7 | Very low | 140 Ų | 140 | 150 Ų | 150 | 75% | 0.749 | 79% | 0.785 | S | S | * | * | trans | -114.6 | 73.7 | 161.3 | -86.1 | -27.7 | 0 | 0 | 0 | 106.9 | ||||
| 322 | Q | 32.8 | Very low | 35.4 | Very low | 187 Ų | 187 | 152.2 Ų | 152.2 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | trans | 175.9 | 90.9 | 164.7 | -104 | 159.7 | 80.6 | 0 | 0 | 109.5 | ||||
| 323 | I | 36.7 | Very low | 35.4 | Very low | 155 Ų | 155 | 156.4 Ų | 156.4 | 80% | 0.795 | 80% | 0.801 | S | S | * | * | trans | -139.9 | 128.3 | 149.7 | -59.5 | -175.6 | 0 | 0 | 0 | 108.6 | ||||
| 324 | D | 36.5 | Very low | 35.5 | Very low | 154 Ų | 154 | 152.5 Ų | 152.5 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | trans | -49.3 | 139.1 | -174.3 | -65.8 | -60.3 | 0 | 0 | 0 | 116.2 | ||||
| 325 | R | 31.1 | Very low | 35.3 | Very low | 243 Ų | 243 | 155.3 Ų | 155.3 | 92% | 0.917 | 80% | 0.801 | S | S | * | * | trans | -90.2 | 142.6 | 158.6 | -73.7 | -179 | 175 | -176.6 | -1.1 | 109.7 | ||||
| 326 | P | 38.9 | Very low | 35.6 | Very low | 121 Ų | 121 | 160.1 Ų | 160.1 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | trans | -115.2 | 131.8 | 141.3 | 24.6 | -9.7 | 0 | 0 | 0 | 112.3 | ||||
| 327 | Y | 31.9 | Very low | 35.6 | Very low | 214 Ų | 214 | 159.5 Ų | 159.5 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | trans | -9.9 | 144.5 | 147.2 | -104.8 | -124.5 | 0 | 0 | 0 | 115.5 | ||||
| 328 | T | 39.2 | Very low | 35.4 | Very low | 107 Ų | 107 | 161.8 Ų | 161.8 | 66% | 0.656 | 80% | 0.802 | S | S | * | * | cis | 173 | -171.7 | 21.1 | 16 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 329 | P | 38.4 | Very low | 35.2 | Very low | 111 Ų | 111 | 161.8 Ų | 161.8 | 72% | 0.721 | 81% | 0.805 | S | S | * | * | cis | -129.6 | 166.7 | -48.1 | 34.5 | -16.4 | 0 | 0 | 0 | 113.5 | ||||
| 330 | N | 32.1 | Very low | 35.2 | Very low | 154 Ų | 154 | 163.5 Ų | 163.5 | 82% | 0.824 | 81% | 0.807 | S | S | * | * | trans | -2.7 | 129.2 | 161 | -83.7 | -41.9 | 0 | 0 | 0 | 120.8 | ||||
| 331 | L | 39 | Very low | 35.2 | Very low | 167 Ų | 167 | 163 Ų | 163 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | trans | -153.9 | 109.4 | 134.1 | -98.6 | 124.1 | 0 | 0 | 0 | 112.4 | ||||
| 332 | R | 34.7 | Very low | 34.9 | Very low | 234 Ų | 234 | 162 Ų | 162 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | trans | 40.3 | 119.3 | 135.5 | -87.5 | 179.9 | -174.6 | 176.6 | 3.1 | 121.4 | ||||
| 333 | Y | 36.3 | Very low | 35 | Very low | 225 Ų | 225 | 162.8 Ų | 162.8 | 88% | 0.882 | 80% | 0.8 | S | S | * | * | trans | -56.8 | 159.5 | 156.4 | -69.6 | -87.9 | 0 | 0 | 0 | 113.2 | ||||
| 334 | P | 41.1 | Very low | 34.8 | Very low | 116 Ų | 116 | 161.3 Ų | 161.3 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | -146.6 | 142.3 | 87.3 | 32.7 | -12.1 | 0 | 0 | 0 | 116.7 | |||||
| 335 | Q | 32.5 | Very low | 34.6 | Very low | 176 Ų | 176 | 158.7 Ų | 158.7 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | 23.3 | 115.1 | 126.9 | -172.8 | 172.7 | -20.5 | 0 | 0 | 119.1 | |||||
| 336 | R | 36 | Very low | 34.8 | Very low | 222 Ų | 222 | 157.6 Ų | 157.6 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | trans | -157.2 | 112.1 | 142.6 | -96.3 | -167.1 | -170.8 | -178.9 | 1.6 | 108.7 | ||||
| 337 | E | 35.3 | Very low | 34.6 | Very low | 151 Ų | 151 | 154.5 Ų | 154.5 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | 78.1 | 101.8 | 95.4 | -77.1 | 179.3 | 177.2 | 0 | 0 | 113.4 | S339 | E337-S339 PolarHBondContact O-N 3.44Š| |||
| 338 | T | 30.6 | Very low | 35.1 | Very low | 138 Ų | 138 | 150.5 Ų | 150.5 | 85% | 0.847 | 78% | 0.784 | S | S | * | * | trans | 0.3 | 112.7 | 147 | 51.1 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 339 | S | 34.7 | Very low | 34.8 | Very low | 109 Ų | 109 | 153.5 Ų | 153.5 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | trans | -143.2 | 119.5 | 153.2 | -76.2 | 0 | 0 | 0 | 0 | 108.5 | E337 V341 | E337-S339 PolarHBondContact O-N 3.44Å; S339-V341 PolarHBondContact O-N 3.44Å | ||
| 340 | Q | 31.3 | Very low | 34.8 | Very low | 197 Ų | 197 | 158.7 Ų | 158.7 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | trans | -57.3 | 117.2 | 174.3 | -59.7 | -176.2 | -7.6 | 0 | 0 | 108.6 | ||||
| 341 | V | 34.6 | Very low | 34.8 | Very low | 103 Ų | 103 | 160.6 Ų | 160.6 | 62% | 0.624 | 80% | 0.795 | S | S | * | * | trans | -125 | 97.7 | 167.9 | -172.6 | 0 | 0 | 0 | 0 | 108.1 | S339 Y343 | S339-V341 PolarHBondContact O-N 3.44Å; V341-Y343 HydrophobicContact CB-CD2 4.41Å; V341-Y343 HydrophobicContact CG1-CD2 3.53Å; V341-Y343 HydrophobicContact CG1-CE2 3.49Å; V341-Y343 VanDerWaalsContact CG1-CE2 3.49Å; V341-Y343 PolarHBondContact O-N 2.87Å | ||
| 342 | T | 28.8 | Very low | 34.5 | Very low | 119 Ų | 119 | 157 Ų | 157 | 73% | 0.73 | 79% | 0.789 | S | S | * | * | trans | -53.6 | 96.1 | 163.2 | -57.2 | 0 | 0 | 0 | 0 | 109.3 | T344 | T342-T344 HydrophobicContact CG2-CG2 4.04Š| ||
| 343 | Y | 35.3 | Very low | 34.6 | Very low | 203 Ų | 203 | 150.7 Ų | 150.7 | 80% | 0.796 | 78% | 0.782 | S | S | * | * | trans | -95.2 | 89.2 | 163.6 | -96.4 | -83.9 | 0 | 0 | 0 | 109.4 | V341 S345 | V341-Y343 HydrophobicContact CB-CD2 4.41Å; V341-Y343 HydrophobicContact CG1-CD2 3.53Å; V341-Y343 HydrophobicContact CG1-CE2 3.49Å; V341-Y343 VanDerWaalsContact CG1-CE2 3.49Å; V341-Y343 PolarHBondContact O-N 2.87Å; Y343-S345 PolarHBondContact O-N 3.26Å | ||
| 344 | T | 32.9 | Very low | 34.6 | Very low | 124 Ų | 124 | 146.8 Ų | 146.8 | 76% | 0.761 | 77% | 0.771 | S | S | * | * | trans | -71.1 | 99.6 | 154 | 51.8 | 0 | 0 | 0 | 0 | 108 | T342 | T342-T344 HydrophobicContact CG2-CG2 4.04Š| ||
| 345 | S | 32.8 | Very low | 34.4 | Very low | 99 Ų | 99 | 146 Ų | 146 | 69% | 0.692 | 77% | 0.774 | S | S | * | * | trans | -144 | 112.1 | 159.9 | 78 | 0 | 0 | 0 | 0 | 111.7 | Y343 G347 | Y343-S345 PolarHBondContact O-N 3.26Å; S345-G347 PolarHBondContact O-N 3.04Å | ||
| 346 | K | 35 | Very low | 34.9 | Very low | 219 Ų | 219 | 143 Ų | 143 | 95% | 0.952 | 76% | 0.762 | S | S | * | * | trans | -63.3 | 111.8 | -176.4 | -59.5 | 173.5 | 177.5 | 179.7 | 0 | 111 | ||||
| 347 | G | 34.3 | Very low | 35.6 | Very low | 56 Ų | 56 | 138.1 Ų | 138.1 | 58% | 0.577 | 76% | 0.759 | S | S | * | * | trans | -111.6 | 141.3 | 154.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | S345 M349 | S345-G347 PolarHBondContact O-N 3.04Å; G347-M349 PolarHBondContact O-N 2.93Å | ||
| 348 | P | 42.9 | Very low | 36.6 | Very low | 130 Ų | 130 | 142.1 Ų | 142.1 | 84% | 0.844 | 77% | 0.767 | S | S | * | * | trans | -71.5 | 84 | -175.5 | 31 | -32.1 | 0 | 0 | 0 | 108.6 | Y350 | P348-Y350 PolarHBondContact O-N 3.23Š| ||
| 349 | M | 32.3 | Very low | 38 | Very low | 171 Ų | 171 | 139.1 Ų | 139.1 | 84% | 0.842 | 74% | 0.743 | S | S | * | * | trans | -62.5 | 120.2 | 167.1 | -142.7 | -174.8 | 57.1 | 0 | 0 | 105.8 | G347 R351 | G347-M349 PolarHBondContact O-N 2.93Å; M349-R351 PolarHBondContact O-N 3.32Å | ||
| 350 | Y | 38.4 | Very low | 39.2 | Very low | 220 Ų | 220 | 142 Ų | 142 | 86% | 0.863 | 74% | 0.744 | S | S | * | * | trans | -53.2 | 91.5 | 176.2 | -83.5 | -100.8 | 0 | 0 | 0 | 109 | P348 A352 | P348-Y350 PolarHBondContact O-N 3.23Å; Y350-A352 PolarHBondContact O-N 2.96Å | ||
| 351 | R | 32.8 | Very low | 40.6 | Very low | 193 Ų | 193 | 137.1 Ų | 137.1 | 73% | 0.728 | 73% | 0.728 | S | S | * | * | trans | -60.4 | 122.2 | 166.3 | -164.4 | -177.5 | -144.3 | -178.9 | 7.2 | 104.6 | M349 S353 E354 | M349-R351 PolarHBondContact O-N 3.32Å; R351-S353 PolarHBondContact O-N 3.42Å; R351-E354 IonicContact NH1-OE1 3.31Å | ||
| 352 | A | 32.9 | Very low | 42.5 | Very low | 91 Ų | 91 | 135.9 Ų | 135.9 | 75% | 0.752 | 72% | 0.718 | S | S | * | * | trans | -33.4 | 112.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | Y350 E354 | Y350-A352 PolarHBondContact O-N 2.96Å; A352-E354 PolarHBondContact O-N 2.88Å | ||
| 353 | S | 36.8 | Very low | 44.4 | Very low | 103 Ų | 103 | 136.9 Ų | 136.9 | 72% | 0.72 | 72% | 0.717 | S | S | * | * | trans | -41.3 | 111.9 | -170.8 | -42.9 | 0 | 0 | 0 | 0 | 108.1 | R351 A355 | R351-S353 PolarHBondContact O-N 3.42Å; S353-A355 PolarHBondContact O-N 2.98Å | ||
| 354 | E | 35.7 | Very low | 45.7 | Very low | 143 Ų | 143 | 130.9 Ų | 130.9 | 67% | 0.668 | 70% | 0.704 | S | S | * | * | trans | -40.7 | 127.1 | 175.2 | -68.6 | 172.7 | 163.7 | 0 | 0 | 107.2 | R351 A352 M356 | R351-E354 IonicContact NH1-OE1 3.31Å; A352-E354 PolarHBondContact O-N 2.88Å; E354-M356 PolarHBondContact O-N 3.36Å | ||
| 355 | A | 36 | Very low | 47.3 | Very low | 98 Ų | 98 | 125.4 Ų | 125.4 | 81% | 0.81 | 67% | 0.672 | S | S | * | * | trans | -37.4 | 108.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | S353 | S353-A355 PolarHBondContact O-N 2.98Š| ||
| 356 | M | 44.3 | Very low | 49.1 | Very low | 114 Ų | 114 | 125.9 Ų | 125.9 | 56% | 0.562 | 67% | 0.666 | S | S | * | * | trans | -44 | 132.7 | -178.7 | -74.2 | -116.1 | 146 | 0 | 0 | 107.8 | E354 R358 | E354-M356 PolarHBondContact O-N 3.36Å; M356-R358 VanDerWaalsContact C-N 3.31Å; M356-R358 PolarHBondContact O-N 3.48Å | ||
| 357 | P | 50.2 | Low | 50.9 | Low | 120 Ų | 120 | 121.3 Ų | 121.3 | 78% | 0.779 | 66% | 0.656 | S | S | * | * | trans | -55.7 | 105.4 | 178.6 | 22.4 | -31 | 0 | 0 | 0 | 106.2 | K359 | P357-K359 PolarHBondContact O-N 2.89Š| ||
| 358 | R | 55.9 | Low | 52.5 | Low | 234 Ų | 234 | 122.2 Ų | 122.2 | 88% | 0.883 | 65% | 0.653 | S | S | * | * | trans | -55.8 | 122.3 | 179 | -77 | 178 | 162.6 | 169.2 | -3.8 | 104.6 | M356 Q360 | M356-R358 VanDerWaalsContact C-N 3.31Å; M356-R358 PolarHBondContact O-N 3.48Å; R358-Q360 VanDerWaalsContact C-N 3.34Å; R358-Q360 PolarHBondContact O-N 2.86Å | ||
| 359 | K | 59.6 | Low | 54 | Low | 75 Ų | 75 | 117.1 Ų | 117.1 | 33% | 0.326 | 63% | 0.625 | S | S | . | * | trans | -52.7 | 105.9 | 172 | -160.8 | 176.6 | -174 | -172.8 | 0 | 106.1 | P357 V361 E370 A371 R373 I375 | P357-K359 PolarHBondContact O-N 2.89Å; K359-V361 PolarHBondContact O-N 2.88Å; K359-E370 WeakPolarHBondContact CE-O 3.38Å; K359-E370 PolarHBondContact NZ-O 3.22Å; K359-A371 VanDerWaalsContact NZ-C 3.29Å; K359-A371 PolarHBondContact NZ-O 2.91Å; K359-R373 PolarHBondContact NZ-O 3.48Å; K359-I375 HydrophobicContact CD-CG1 4.5Å | ||
| 360 | Q | 61.7 | Low | 55.9 | Low | 169 Ų | 169 | 114.4 Ų | 114.4 | 79% | 0.79 | 61% | 0.61 | S | S | * | * | trans | -68.4 | 109.3 | -175.2 | -118.6 | -180 | 0.1 | 0 | 0 | 106.1 | R358 N362 | R358-Q360 VanDerWaalsContact C-N 3.34Å; R358-Q360 PolarHBondContact O-N 2.86Å; Q360-N362 PolarHBondContact O-N 3.21Å | ||
| 361 | V | 60.4 | Low | 57.2 | Low | 96 Ų | 96 | 105.1 Ų | 105.1 | 58% | 0.582 | 58% | 0.579 | S | S | * | * | trans | -76.7 | 95.3 | 175.7 | -174.7 | 0 | 0 | 0 | 0 | 106.6 | K359 L366 | K359-V361 PolarHBondContact O-N 2.88Å; V361-L366 HydrophobicContact CG1-CD1 3.72Å; V361-L366 HydrophobicContact CG1-CD2 3.75Å; V361-L366 HydrophobicContact CG1-CG 3.55Å | ||
| 362 | N | 74.9 | Confident | 59 | Low | 77 Ų | 77 | 103.9 Ų | 103.9 | 41% | 0.412 | 58% | 0.581 | S | S | . | * | trans | -98.6 | 159.8 | 166.8 | 60.1 | 27.5 | 0 | 0 | 0 | 109.5 | Q360 S364 S365 L366 | Q360-N362 PolarHBondContact O-N 3.21Å; N362-S364 PolarHBondContact ND2-OG 3.32Å; N362-S364 PolarHBondContact O-N 2.73Å; N362-S364 PolarHBondContact OD1-OG 2.99Å; N362-S365 PolarHBondContact N-OG 2.92Å; N362-S365 VanDerWaalsContact N-OG 3.08Å; N362-S365 PolarHBondContact O-N 3.14Å; N362-S365 PolarHBondContact O-OG 2.69Å; N362-S365 WeakPolarHBondContact OD1-CA 3.42Å; N362-S365 WeakPolarHBondContact OD1-CB 3.3Å; N362-S365 PolarHBondContact OD1-N 3.16Å; N362-S365 PolarHBondContact OD1-OG 2.9Å; N362-L366 PolarHBondContact O-N 3.15Å; N362-L366 VanDerWaalsContact O-N 3.17Å | ||
| 363 | I | 68.8 | Low | 60.8 | Low | 140 Ų | 140 | 107.9 Ų | 107.9 | 72% | 0.718 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -54.5 | -39.4 | -178.5 | -59.5 | 172.4 | 0 | 0 | 0 | 110.3 | S365 L366 V367 | I363-S365 PolarHBondContact O-N 3.02Å; I363-L366 PolarHBondContact O-N 3.43Å; I363-V367 HydrophobicContact CG2-CG2 4.26Å; I363-V367 VanDerWaalsContact O-CG2 3.31Å; I363-V367 WeakPolarHBondContact O-CG2 3.3Å; I363-V367 PolarHBondContact O-N 3.08Å |
| 364 | S | 61.3 | Low | 62.1 | Low | 76 Ų | 76 | 108.5 Ų | 108.5 | 53% | 0.531 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -59.2 | -39 | 174.3 | 33.3 | 0 | 0 | 0 | 0 | 113.8 | N362 S368 | N362-S364 PolarHBondContact ND2-OG 3.32Å; N362-S364 PolarHBondContact O-N 2.73Å; N362-S364 PolarHBondContact OD1-OG 2.99Å; S364-S368 VanDerWaalsContact O-CB 3.27Å; S364-S368 WeakPolarHBondContact O-CB 3.46Å; S364-S368 PolarHBondContact O-N 2.81Å; S364-S368 PolarHBondContact O-OG 2.8Å |
| 365 | S | 66.2 | Low | 63.3 | Low | 10 Ų | 10 | 106.9 Ų | 106.9 | 7% | 0.07 | 57% | 0.573 | C | S | . | * | H | α-helix | trans | -74 | -28.6 | 178 | 72.4 | 0 | 0 | 0 | 0 | 113 | N362 I363 S368 E370 A371 | N362-S365 PolarHBondContact N-OG 2.92Å; N362-S365 VanDerWaalsContact N-OG 3.08Å; N362-S365 PolarHBondContact O-N 3.14Å; N362-S365 PolarHBondContact O-OG 2.69Å; N362-S365 WeakPolarHBondContact OD1-CA 3.42Å; N362-S365 WeakPolarHBondContact OD1-CB 3.3Å; N362-S365 PolarHBondContact OD1-N 3.16Å; N362-S365 PolarHBondContact OD1-OG 2.9Å; I363-S365 PolarHBondContact O-N 3.02Å; S365-S368 WeakPolarHBondContact CA-OG 3.13Å; S365-S368 PolarHBondContact O-OG 3.01Å; S365-E370 PolarHBondContact O-N 2.86Å; S365-A371 VanDerWaalsContact O-CB 3.25Å; S365-A371 WeakPolarHBondContact O-CB 3.28Å; S365-A371 PolarHBondContact O-N 2.64Å |
| 366 | L | 71 | Confident | 64.2 | Low | 108 Ų | 108 | 111 Ų | 111 | 57% | 0.565 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -73.5 | -43.7 | 173.7 | -74.1 | 168.7 | 0 | 0 | 0 | 111.1 | V361 N362 I363 G369 A371 | V361-L366 HydrophobicContact CG1-CD1 3.72Å; V361-L366 HydrophobicContact CG1-CD2 3.75Å; V361-L366 HydrophobicContact CG1-CG 3.55Å; N362-L366 PolarHBondContact O-N 3.15Å; N362-L366 VanDerWaalsContact O-N 3.17Å; I363-L366 PolarHBondContact O-N 3.43Å; L366-G369 PolarHBondContact O-N 3.15Å; L366-A371 HydrophobicContact CD2-CB 4.23Å |
| 367 | V | 72.5 | Confident | 64.6 | Low | 124 Ų | 124 | 111.5 Ų | 111.5 | 75% | 0.752 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -73.1 | -32.5 | -178.6 | 176.6 | 0 | 0 | 0 | 0 | 112.2 | I363 G369 | I363-V367 HydrophobicContact CG2-CG2 4.26Å; I363-V367 VanDerWaalsContact O-CG2 3.31Å; I363-V367 WeakPolarHBondContact O-CG2 3.3Å; I363-V367 PolarHBondContact O-N 3.08Å; V367-G369 VanDerWaalsContact C-N 3.3Å; V367-G369 PolarHBondContact O-N 2.84Å |
| 368 | S | 69.3 | Low | 64.8 | Low | 74 Ų | 74 | 111.3 Ų | 111.3 | 52% | 0.517 | 58% | 0.575 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81 | -4.9 | 177.5 | 56.7 | 0 | 0 | 0 | 0 | 114.4 | S364 S365 E370 | S364-S368 VanDerWaalsContact O-CB 3.27Å; S364-S368 WeakPolarHBondContact O-CB 3.46Å; S364-S368 PolarHBondContact O-N 2.81Å; S364-S368 PolarHBondContact O-OG 2.8Å; S365-S368 WeakPolarHBondContact CA-OG 3.13Å; S365-S368 PolarHBondContact O-OG 3.01Å; S368-E370 PolarHBondContact O-N 3.21Å; S368-E370 VanDerWaalsContact O-N 3.1Å; S368-E370 WeakPolarHBondContact OG-CB 3.25Å; S368-E370 PolarHBondContact OG-N 2.76Å |
| 369 | G | 73.6 | Confident | 65.1 | Low | 24 Ų | 24 | 107 Ų | 107 | 25% | 0.247 | 57% | 0.568 | C | S | . | * | S | Bend | trans | 65.7 | 4.2 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | L366 V367 A371 E372 | L366-G369 PolarHBondContact O-N 3.15Å; V367-G369 VanDerWaalsContact C-N 3.3Å; V367-G369 PolarHBondContact O-N 2.84Å; G369-A371 VanDerWaalsContact C-N 3.27Å; G369-A371 PolarHBondContact O-N 3.16Å; G369-E372 PolarHBondContact O-N 3.16Å |
| 370 | E | 72.4 | Confident | 65.7 | Low | 114 Ų | 114 | 109.5 Ų | 109.5 | 53% | 0.533 | 59% | 0.59 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.2 | -35.2 | 178.9 | -170.2 | 174 | -174.9 | 0 | 0 | 110.6 | K359 S365 S368 E372 R373 | K359-E370 WeakPolarHBondContact CE-O 3.38Å; K359-E370 PolarHBondContact NZ-O 3.22Å; S365-E370 PolarHBondContact O-N 2.86Å; S368-E370 PolarHBondContact O-N 3.21Å; S368-E370 VanDerWaalsContact O-N 3.1Å; S368-E370 WeakPolarHBondContact OG-CB 3.25Å; S368-E370 PolarHBondContact OG-N 2.76Å; E370-E372 PolarHBondContact O-N 2.94Å; E370-R373 PolarHBondContact O-N 3.37Å |
| 371 | A | 64.8 | Low | 66.5 | Low | 25 Ų | 25 | 106.4 Ų | 106.4 | 21% | 0.207 | 58% | 0.578 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -57.8 | -33.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | K359 S365 L366 G369 | K359-A371 VanDerWaalsContact NZ-C 3.29Å; K359-A371 PolarHBondContact NZ-O 2.91Å; S365-A371 VanDerWaalsContact O-CB 3.25Å; S365-A371 WeakPolarHBondContact O-CB 3.28Å; S365-A371 PolarHBondContact O-N 2.64Å; L366-A371 HydrophobicContact CD2-CB 4.23Å; G369-A371 VanDerWaalsContact C-N 3.27Å; G369-A371 PolarHBondContact O-N 3.16Å |
| 372 | E | 70.2 | Confident | 67.5 | Low | 166 Ų | 166 | 104 Ų | 104 | 78% | 0.776 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | -17.2 | -178.3 | -59.9 | -175.7 | 168.6 | 0 | 0 | 113.6 | G369 E370 | G369-E372 PolarHBondContact O-N 3.16Å; E370-E372 PolarHBondContact O-N 2.94Å |
| 373 | R | 70.9 | Confident | 67.8 | Low | 176 Ų | 176 | 105.6 Ų | 105.6 | 66% | 0.664 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -65.6 | 129.3 | 178.9 | -68 | -173.7 | 176.5 | 169.5 | 0.2 | 111 | K359 E370 I375 | K359-R373 PolarHBondContact NZ-O 3.48Å; E370-R373 PolarHBondContact O-N 3.37Å; R373-I375 PolarHBondContact O-N 3.49Å |
| 374 | P | 64.2 | Low | 68.5 | Low | 115 Ų | 115 | 107 Ų | 107 | 75% | 0.747 | 58% | 0.576 | S | S | * | * | trans | -58.2 | 138.9 | 174 | 23.6 | -31.5 | 0 | 0 | 0 | 109.5 | Q376 | P374-Q376 PolarHBondContact O-N 3.12Š| ||
| 375 | I | 61.7 | Low | 69.7 | Low | 109 Ų | 109 | 106 Ų | 106 | 56% | 0.559 | 56% | 0.562 | S | S | * | * | trans | -60.6 | 110.1 | 173.9 | -60.9 | 171.9 | 0 | 0 | 0 | 106.3 | K359 R373 Q377 | K359-I375 HydrophobicContact CD-CG1 4.5Å; R373-I375 PolarHBondContact O-N 3.49Å; I375-Q377 VanDerWaalsContact C-N 3.28Å; I375-Q377 HydrophobicContact CG2-CG 4.31Å; I375-Q377 PolarHBondContact O-N 2.87Å | ||
| 376 | Q | 53.5 | Low | 70.3 | Confident | 185 Ų | 185 | 113.1 Ų | 113.1 | 86% | 0.864 | 60% | 0.595 | S | S | * | * | trans | -68.8 | 94 | 170.5 | -67.1 | -171.5 | 17.9 | 0 | 0 | 106.9 | P374 | P374-Q376 PolarHBondContact O-N 3.12Š| ||
| 377 | Q | 53.9 | Low | 70.9 | Confident | 124 Ų | 124 | 111.5 Ų | 111.5 | 58% | 0.579 | 59% | 0.589 | S | S | * | * | trans | -69.2 | 128.8 | 168.4 | -68.9 | -171.7 | -17.1 | 0 | 0 | 107.3 | I375 I379 | I375-Q377 VanDerWaalsContact C-N 3.28Å; I375-Q377 HydrophobicContact CG2-CG 4.31Å; I375-Q377 PolarHBondContact O-N 2.87Å; Q377-I379 PolarHBondContact O-N 3.21Å | ||
| 378 | P | 54 | Low | 71.5 | Confident | 116 Ų | 116 | 107.6 Ų | 107.6 | 75% | 0.753 | 57% | 0.57 | S | S | * | * | trans | -60.6 | 108.8 | 160 | 25.5 | -29.4 | 0 | 0 | 0 | 106 | T380 | P378-T380 VanDerWaalsContact C-N 3.28Å; P378-T380 PolarHBondContact O-N 2.71Å | ||
| 379 | I | 63.2 | Low | 72.4 | Confident | 143 Ų | 143 | 108.6 Ų | 108.6 | 73% | 0.733 | 57% | 0.567 | S | S | * | * | trans | -64.3 | 96.4 | 175.3 | -62.4 | 169.1 | 0 | 0 | 0 | 105.7 | Q377 L381 | Q377-I379 PolarHBondContact O-N 3.21Å; I379-L381 VanDerWaalsContact C-N 3.34Å; I379-L381 HydrophobicContact CG2-CD2 3.91Å; I379-L381 PolarHBondContact O-N 3.47Å | ||
| 380 | T | 71.7 | Confident | 73.1 | Confident | 129 Ų | 129 | 114.7 Ų | 114.7 | 79% | 0.791 | 58% | 0.583 | S | S | * | * | trans | -69.7 | 100.2 | 166.3 | 43.8 | 0 | 0 | 0 | 0 | 106.4 | P378 | P378-T380 VanDerWaalsContact C-N 3.28Å; P378-T380 PolarHBondContact O-N 2.71Å | ||
| 381 | L | 78.8 | Confident | 73.9 | Confident | 103 Ų | 103 | 116.1 Ų | 116.1 | 54% | 0.539 | 59% | 0.588 | S | S | . | * | trans | -57.8 | 127.4 | 178.2 | -65.4 | 170.5 | 0 | 0 | 0 | 108.4 | I379 H385 | I379-L381 VanDerWaalsContact C-N 3.34Å; I379-L381 HydrophobicContact CG2-CD2 3.91Å; I379-L381 PolarHBondContact O-N 3.47Å; L381-H385 HydrophobicContact CB-CB 4.08Å | ||
| 382 | P | 80.8 | Confident | 74.9 | Confident | 45 Ų | 45 | 118.8 Ų | 118.8 | 29% | 0.292 | 60% | 0.596 | S | S | . | * | trans | -63.2 | 155.1 | 179.8 | 24.4 | -32.3 | 0 | 0 | 0 | 110.6 | W384 H385 | P382-W384 HydrophobicContact CB-CD2 4.32Å; P382-W384 HydrophobicContact CB-CG 4.39Å; P382-W384 HydrophobicContact CB-CZ2 4.18Å; P382-W384 HydrophobicContact CG-CD2 3.96Å; P382-W384 HydrophobicContact CG-CE3 4.49Å; P382-W384 HydrophobicContact CG-CH2 3.96Å; P382-W384 HydrophobicContact CG-CZ2 3.37Å; P382-W384 HydrophobicContact CG-CZ3 4.48Å; P382-W384 PolarHBondContact O-N 2.89Å; P382-H385 HydrophobicContact CG-CB 4.33Å; P382-H385 WeakPolarHBondContact O-CB 3.38Å; P382-H385 PolarHBondContact O-N 2.85Å | ||
| 383 | P | 80.9 | Confident | 75.8 | Confident | 112 Ų | 112 | 113.3 Ų | 113.3 | 73% | 0.727 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -55.6 | -31 | -175.4 | -25.4 | 32.6 | 0 | 0 | 0 | 114.1 | H385 | P383-H385 VanDerWaalsContact C-N 3.29Å; P383-H385 PolarHBondContact O-N 3.26Å |
| 384 | W | 83.9 | Confident | 76.6 | Confident | 170 Ų | 170 | 109.9 Ų | 109.9 | 64% | 0.644 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -74.7 | -14.3 | 178.4 | 57.8 | -104.2 | 0 | 0 | 0 | 113.9 | P382 Q386 T387 A388 | P382-W384 HydrophobicContact CB-CD2 4.32Å; P382-W384 HydrophobicContact CB-CG 4.39Å; P382-W384 HydrophobicContact CB-CZ2 4.18Å; P382-W384 HydrophobicContact CG-CD2 3.96Å; P382-W384 HydrophobicContact CG-CE3 4.49Å; P382-W384 HydrophobicContact CG-CH2 3.96Å; P382-W384 HydrophobicContact CG-CZ2 3.37Å; P382-W384 HydrophobicContact CG-CZ3 4.48Å; P382-W384 PolarHBondContact O-N 2.89Å; W384-Q386 PolarHBondContact O-N 2.91Å; W384-T387 PolarHBondContact O-N 3.5Å; W384-A388 HydrophobicContact CE3-CB 4.23Å; W384-A388 WeakPolarHBondContact O-CB 3.16Å; W384-A388 PolarHBondContact O-N 2.89Å |
| 385 | H | 85.4 | Confident | 77.5 | Confident | 54 Ų | 54 | 110.7 Ų | 110.7 | 25% | 0.25 | 55% | 0.554 | C | S | . | * | H | α-helix | trans | -61 | -44.6 | -179.9 | -174.6 | -79.8 | 0 | 0 | 0 | 111.4 | L381 P382 P383 T387 A388 E389 | L381-H385 HydrophobicContact CB-CB 4.08Å; P382-H385 HydrophobicContact CG-CB 4.33Å; P382-H385 WeakPolarHBondContact O-CB 3.38Å; P382-H385 PolarHBondContact O-N 2.85Å; P383-H385 VanDerWaalsContact C-N 3.29Å; P383-H385 PolarHBondContact O-N 3.26Å; H385-T387 VanDerWaalsContact C-N 3.33Å; H385-T387 PolarHBondContact O-N 3.4Å; H385-A388 PolarHBondContact O-N 3.49Å; H385-E389 IonicContact CE1-OE1 3.78Å; H385-E389 IonicContact NE2-OE1 3.23Å; H385-E389 WeakPolarHBondContact O-CG 3.28Å; H385-E389 PolarHBondContact O-N 2.77Å |
| 386 | Q | 80.1 | Confident | 78.6 | Confident | 160 Ų | 160 | 109.5 Ų | 109.5 | 75% | 0.748 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62.4 | -42.1 | 177.3 | -64.4 | -176.8 | 5.4 | 0 | 0 | 111.6 | W384 A388 Y390 | W384-Q386 PolarHBondContact O-N 2.91Å; Q386-A388 VanDerWaalsContact C-N 3.33Å; Q386-A388 PolarHBondContact O-N 3.09Å; Q386-Y390 WeakPolarHBondContact O-CB 3.18Å; Q386-Y390 PolarHBondContact O-N 3.38Å |
| 387 | T | 83.8 | Confident | 80 | Confident | 73 Ų | 73 | 106.2 Ų | 106.2 | 45% | 0.448 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.8 | -34.8 | 176.7 | -47.8 | 0 | 0 | 0 | 0 | 111.9 | W384 H385 K391 | W384-T387 PolarHBondContact O-N 3.5Å; H385-T387 VanDerWaalsContact C-N 3.33Å; H385-T387 PolarHBondContact O-N 3.4Å; T387-K391 HydrophobicContact CG2-CD 4.48Å; T387-K391 WeakPolarHBondContact O-CB 3.48Å; T387-K391 VanDerWaalsContact O-CG 3.27Å; T387-K391 WeakPolarHBondContact O-CG 3.29Å; T387-K391 PolarHBondContact O-N 3.11Å |
| 388 | A | 85.4 | Confident | 81.3 | Confident | 42 Ų | 42 | 104.8 Ų | 104.8 | 35% | 0.347 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.9 | -47.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | W384 H385 Q386 Y390 K391 H392 | W384-A388 HydrophobicContact CE3-CB 4.23Å; W384-A388 WeakPolarHBondContact O-CB 3.16Å; W384-A388 PolarHBondContact O-N 2.89Å; H385-A388 PolarHBondContact O-N 3.49Å; Q386-A388 VanDerWaalsContact C-N 3.33Å; Q386-A388 PolarHBondContact O-N 3.09Å; A388-Y390 VanDerWaalsContact C-N 3.34Å; A388-Y390 PolarHBondContact O-N 3.34Å; A388-K391 PolarHBondContact O-N 3.32Å; A388-H392 WeakPolarHBondContact O-CB 3.49Å; A388-H392 PolarHBondContact O-N 3.13Å |
| 389 | E | 86.4 | Confident | 82.2 | Confident | 96 Ų | 96 | 102.1 Ų | 102.1 | 45% | 0.449 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.4 | -42.9 | 174.1 | -73.3 | -63.3 | 147.5 | 0 | 0 | 111.9 | H385 H392 S393 | H385-E389 IonicContact CE1-OE1 3.78Å; H385-E389 IonicContact NE2-OE1 3.23Å; H385-E389 WeakPolarHBondContact O-CG 3.28Å; H385-E389 PolarHBondContact O-N 2.77Å; E389-H392 PolarHBondContact O-N 3.42Å; E389-S393 WeakPolarHBondContact O-CB 3.32Å; E389-S393 PolarHBondContact O-N 2.89Å; E389-S393 PolarHBondContact O-OG 3.27Å |
| 390 | Y | 89.5 | Confident | 82.4 | Confident | 152 Ų | 152 | 100.3 Ų | 100.3 | 60% | 0.596 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63 | -45.9 | 175.5 | 175.6 | -106 | 0 | 0 | 0 | 112.2 | Q386 A388 H392 S393 K394 | Q386-Y390 WeakPolarHBondContact O-CB 3.18Å; Q386-Y390 PolarHBondContact O-N 3.38Å; A388-Y390 VanDerWaalsContact C-N 3.34Å; A388-Y390 PolarHBondContact O-N 3.34Å; Y390-H392 VanDerWaalsContact C-N 3.35Å; Y390-S393 PolarHBondContact O-N 3.33Å; Y390-K394 WeakPolarHBondContact O-CB 3.39Å; Y390-K394 PolarHBondContact O-N 3.5Å |
| 391 | K | 88.4 | Confident | 82.3 | Confident | 144 Ų | 144 | 101.3 Ų | 101.3 | 63% | 0.626 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.6 | -40.6 | 175.8 | -76.6 | 178.4 | 179.2 | -176 | 0 | 111.7 | T387 A388 K394 W395 | T387-K391 HydrophobicContact CG2-CD 4.48Å; T387-K391 WeakPolarHBondContact O-CB 3.48Å; T387-K391 VanDerWaalsContact O-CG 3.27Å; T387-K391 WeakPolarHBondContact O-CG 3.29Å; T387-K391 PolarHBondContact O-N 3.11Å; A388-K391 PolarHBondContact O-N 3.32Å; K391-K394 PolarHBondContact O-N 3.23Å; K391-W395 VanDerWaalsContact O-CB 3.29Å; K391-W395 WeakPolarHBondContact O-CB 3.43Å; K391-W395 PolarHBondContact O-N 3.46Å |
| 392 | H | 87 | Confident | 81.5 | Confident | 81 Ų | 81 | 102.8 Ų | 102.8 | 38% | 0.375 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.1 | -46.9 | 177.2 | -175.1 | 9.1 | 0 | 0 | 0 | 111.4 | A388 E389 Y390 W395 Q396 | A388-H392 WeakPolarHBondContact O-CB 3.49Å; A388-H392 PolarHBondContact O-N 3.13Å; E389-H392 PolarHBondContact O-N 3.42Å; Y390-H392 VanDerWaalsContact C-N 3.35Å; H392-W395 AromaticContact CE1-CZ3 3.94Å; H392-W395 AromaticContact ND1-CE3 3.71Å; H392-W395 PolarHBondContact O-N 3.41Å; H392-Q396 VanDerWaalsContact CE1-CD 3.44Å; H392-Q396 PolarHBondContact CE1-NE2 2.86Å; H392-Q396 PolarHBondContact NE2-NE2 3.27Å; H392-Q396 PolarHBondContact O-N 3.01Å |
| 393 | S | 87.9 | Confident | 80.3 | Confident | 50 Ų | 50 | 103.1 Ų | 103.1 | 35% | 0.35 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.7 | -44.6 | 177.4 | -62.4 | 0 | 0 | 0 | 0 | 111.5 | E389 Y390 W395 Q396 Q397 | E389-S393 WeakPolarHBondContact O-CB 3.32Å; E389-S393 PolarHBondContact O-N 2.89Å; E389-S393 PolarHBondContact O-OG 3.27Å; Y390-S393 PolarHBondContact O-N 3.33Å; S393-W395 PolarHBondContact O-N 3.33Å; S393-Q396 PolarHBondContact O-N 3.26Å; S393-Q397 WeakPolarHBondContact O-CG 3.39Å; S393-Q397 PolarHBondContact O-N 3.47Å |
| 394 | K | 87.5 | Confident | 79.4 | Confident | 104 Ų | 104 | 102.7 Ų | 102.7 | 45% | 0.452 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.1 | -40.7 | 176.6 | -171.4 | 176.3 | -178.7 | 178.3 | 0 | 111.9 | Y390 K391 Q397 Q398 | Y390-K394 WeakPolarHBondContact O-CB 3.39Å; Y390-K394 PolarHBondContact O-N 3.5Å; K391-K394 PolarHBondContact O-N 3.23Å; K394-Q397 PolarHBondContact O-N 3.15Å; K394-Q398 WeakPolarHBondContact O-CG 3.4Å; K394-Q398 PolarHBondContact O-N 2.93Å |
| 395 | W | 84.1 | Confident | 78.5 | Confident | 132 Ų | 132 | 101.6 Ų | 101.6 | 50% | 0.5 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.8 | -43.7 | 175.5 | 173.2 | 79.9 | 0 | 0 | 0 | 111.9 | K391 H392 S393 Q397 Q398 L399 | K391-W395 VanDerWaalsContact O-CB 3.29Å; K391-W395 WeakPolarHBondContact O-CB 3.43Å; K391-W395 PolarHBondContact O-N 3.46Å; H392-W395 AromaticContact CE1-CZ3 3.94Å; H392-W395 AromaticContact ND1-CE3 3.71Å; H392-W395 PolarHBondContact O-N 3.41Å; S393-W395 PolarHBondContact O-N 3.33Å; W395-Q397 PolarHBondContact O-N 3.43Å; W395-Q398 PolarHBondContact O-N 3.2Å; W395-L399 HydrophobicContact CD2-CD1 3.75Å; W395-L399 HydrophobicContact CE3-CD1 3.95Å; W395-L399 HydrophobicContact CH2-CD1 3.38Å; W395-L399 HydrophobicContact CZ2-CD1 3.14Å; W395-L399 HydrophobicContact CZ3-CD1 3.77Å; W395-L399 PolarHBondContact O-N 2.93Å |
| 396 | Q | 84.1 | Confident | 77.4 | Confident | 84 Ų | 84 | 103.9 Ų | 103.9 | 39% | 0.393 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61 | -42.9 | 173.5 | -79 | 179.7 | -18.6 | 0 | 0 | 111.6 | H392 S393 Q398 L399 H400 | H392-Q396 VanDerWaalsContact CE1-CD 3.44Å; H392-Q396 PolarHBondContact CE1-NE2 2.86Å; H392-Q396 PolarHBondContact NE2-NE2 3.27Å; H392-Q396 PolarHBondContact O-N 3.01Å; S393-Q396 PolarHBondContact O-N 3.26Å; Q396-Q398 VanDerWaalsContact C-N 3.33Å; Q396-Q398 PolarHBondContact O-N 3.47Å; Q396-L399 WeakPolarHBondContact O-CB 3.28Å; Q396-L399 PolarHBondContact O-N 2.88Å; Q396-H400 PolarHBondContact O-N 3.28Å; Q396-H400 PolarHBondContact O-ND1 3.13Å |
| 397 | Q | 83 | Confident | 76.3 | Confident | 117 Ų | 117 | 101.2 Ų | 101.2 | 55% | 0.547 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63 | -38.1 | 175.2 | -75.2 | 178.1 | 4.9 | 0 | 0 | 112.5 | S393 K394 W395 H400 Q401 | S393-Q397 WeakPolarHBondContact O-CG 3.39Å; S393-Q397 PolarHBondContact O-N 3.47Å; K394-Q397 PolarHBondContact O-N 3.15Å; W395-Q397 PolarHBondContact O-N 3.43Å; Q397-H400 PolarHBondContact O-N 3.35Å; Q397-Q401 WeakPolarHBondContact O-CG 3.44Å; Q397-Q401 PolarHBondContact O-N 2.99Å; Q397-Q401 VanDerWaalsContact O-N 3.14Å; Q397-Q401 PolarHBondContact O-NE2 3.35Å |
| 398 | Q | 81.4 | Confident | 75 | Confident | 94 Ų | 94 | 102.8 Ų | 102.8 | 44% | 0.439 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69.1 | -38.3 | 175.5 | -76.1 | 178.6 | -12.9 | 0 | 0 | 112.1 | K394 W395 Q396 H400 Q401 L402 | K394-Q398 WeakPolarHBondContact O-CG 3.4Å; K394-Q398 PolarHBondContact O-N 2.93Å; W395-Q398 PolarHBondContact O-N 3.2Å; Q396-Q398 VanDerWaalsContact C-N 3.33Å; Q396-Q398 PolarHBondContact O-N 3.47Å; Q398-H400 VanDerWaalsContact C-N 3.34Å; Q398-H400 PolarHBondContact O-N 3.32Å; Q398-Q401 PolarHBondContact O-N 2.83Å; Q398-Q401 VanDerWaalsContact O-N 3.12Å; Q398-L402 WeakPolarHBondContact O-CB 3.45Å; Q398-L402 WeakPolarHBondContact O-CG 3.38Å; Q398-L402 PolarHBondContact O-N 2.82Å |
| 399 | L | 73.3 | Confident | 73.7 | Confident | 60 Ų | 60 | 110 Ų | 110 | 31% | 0.314 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59.2 | -44.6 | 172.5 | -112.9 | 149 | 0 | 0 | 0 | 111.8 | W395 Q396 Q401 | W395-L399 HydrophobicContact CD2-CD1 3.75Å; W395-L399 HydrophobicContact CE3-CD1 3.95Å; W395-L399 HydrophobicContact CH2-CD1 3.38Å; W395-L399 HydrophobicContact CZ2-CD1 3.14Å; W395-L399 HydrophobicContact CZ3-CD1 3.77Å; W395-L399 PolarHBondContact O-N 2.93Å; Q396-L399 WeakPolarHBondContact O-CB 3.28Å; Q396-L399 PolarHBondContact O-N 2.88Å; L399-Q401 VanDerWaalsContact C-N 3.26Å; L399-Q401 PolarHBondContact O-N 2.71Å |
| 400 | H | 67.4 | Low | 72.5 | Confident | 105 Ų | 105 | 110 Ų | 110 | 49% | 0.486 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -68 | -22.3 | 175.6 | -65.8 | 120 | 0 | 0 | 0 | 113.6 | Q396 Q397 Q398 | Q396-H400 PolarHBondContact O-N 3.28Å; Q396-H400 PolarHBondContact O-ND1 3.13Å; Q397-H400 PolarHBondContact O-N 3.35Å; Q398-H400 VanDerWaalsContact C-N 3.34Å; Q398-H400 PolarHBondContact O-N 3.32Å |
| 401 | Q | 69.4 | Low | 71 | Confident | 149 Ų | 149 | 107.7 Ų | 107.7 | 70% | 0.696 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -89.7 | -30.4 | 179.5 | -78.2 | 174.1 | 61.3 | 0 | 0 | 113.9 | Q397 Q398 L399 | Q397-Q401 WeakPolarHBondContact O-CG 3.44Å; Q397-Q401 PolarHBondContact O-N 2.99Å; Q397-Q401 VanDerWaalsContact O-N 3.14Å; Q397-Q401 PolarHBondContact O-NE2 3.35Å; Q398-Q401 PolarHBondContact O-N 2.83Å; Q398-Q401 VanDerWaalsContact O-N 3.12Å; L399-Q401 VanDerWaalsContact C-N 3.26Å; L399-Q401 PolarHBondContact O-N 2.71Å |
| 402 | L | 62.3 | Low | 69.7 | Low | 135 Ų | 135 | 105 Ų | 105 | 71% | 0.707 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -82.9 | -22.1 | -172.7 | -74.3 | 168.4 | 0 | 0 | 0 | 113.4 | Q398 | Q398-L402 WeakPolarHBondContact O-CB 3.45Å; Q398-L402 WeakPolarHBondContact O-CG 3.38Å; Q398-L402 PolarHBondContact O-N 2.82Å |
| 403 | D | 56.1 | Low | 68.6 | Low | 51 Ų | 51 | 106.3 Ų | 106.3 | 27% | 0.273 | 57% | 0.574 | S | S | . | * | trans | -161 | 106.9 | 178.8 | -171.2 | 1.9 | 0 | 0 | 0 | 113.7 | N405 N406 | D403-N405 PolarHBondContact O-N 2.77Å; D403-N405 VanDerWaalsContact O-N 3.16Å; D403-N405 WeakPolarHBondContact OD1-CA 3.42Å; D403-N405 VanDerWaalsContact OD1-CB 3.3Å; D403-N405 WeakPolarHBondContact OD1-CB 3.27Å; D403-N405 PolarHBondContact OD1-N 3.36Å; D403-N406 HydrophobicContact CB-CB 4Å; D403-N406 PolarHBondContact O-N 2.97Å; D403-N406 VanDerWaalsContact O-N 3.15Å; D403-N406 PolarHBondContact OD2-ND2 3.48Å | ||
| 404 | P | 61.6 | Low | 67.6 | Low | 103 Ų | 103 | 111.5 Ų | 111.5 | 67% | 0.669 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | -58.6 | -21.2 | 171.3 | -21.4 | 32.1 | 0 | 0 | 0 | 114 | Q407 | P404-Q407 VanDerWaalsContact O-CG 3.3Å; P404-Q407 WeakPolarHBondContact O-CG 3.46Å |
| 405 | N | 65.6 | Low | 66.6 | Low | 147 Ų | 147 | 108.7 Ų | 108.7 | 79% | 0.786 | 59% | 0.594 | S | S | * | * | G | 310 helix | trans | -87.7 | -11.2 | 178.6 | -76.4 | -24.7 | 0 | 0 | 0 | 114 | D403 Q407 | D403-N405 PolarHBondContact O-N 2.77Å; D403-N405 VanDerWaalsContact O-N 3.16Å; D403-N405 WeakPolarHBondContact OD1-CA 3.42Å; D403-N405 VanDerWaalsContact OD1-CB 3.3Å; D403-N405 WeakPolarHBondContact OD1-CB 3.27Å; D403-N405 PolarHBondContact OD1-N 3.36Å; N405-Q407 VanDerWaalsContact C-N 3.33Å |
| 406 | N | 60.7 | Low | 66.1 | Low | 102 Ų | 102 | 107 Ų | 107 | 55% | 0.545 | 60% | 0.599 | S | S | . | * | G | 310 helix | trans | -95.6 | 16.8 | 173.8 | -92.7 | -45.5 | 0 | 0 | 0 | 113.3 | D403 | D403-N406 HydrophobicContact CB-CB 4Å; D403-N406 PolarHBondContact O-N 2.97Å; D403-N406 VanDerWaalsContact O-N 3.15Å; D403-N406 PolarHBondContact OD2-ND2 3.48Å |
| 407 | Q | 56.7 | Low | 65.7 | Low | 104 Ų | 104 | 105.6 Ų | 105.6 | 49% | 0.486 | 60% | 0.597 | S | S | . | * | S | Bend | trans | -52.2 | 127.5 | 161.7 | -71.7 | -82.5 | -14 | 0 | 0 | 108.1 | P404 N405 K409 | P404-Q407 VanDerWaalsContact O-CG 3.3Å; P404-Q407 WeakPolarHBondContact O-CG 3.46Å; N405-Q407 VanDerWaalsContact C-N 3.33Å; Q407-K409 PolarHBondContact O-N 3.48Å |
| 408 | P | 56.6 | Low | 65.5 | Low | 106 Ų | 106 | 104 Ų | 104 | 69% | 0.688 | 60% | 0.598 | S | S | * | * | trans | -55.1 | 112.4 | 173.4 | 21.9 | -30.1 | 0 | 0 | 0 | 106.9 | A410 | P408-A410 PolarHBondContact O-N 3.09Š| ||
| 409 | K | 59.4 | Low | 65.5 | Low | 193 Ų | 193 | 108 Ų | 108 | 84% | 0.839 | 61% | 0.61 | S | S | * | * | trans | -51.7 | 114.1 | 175.9 | -77.2 | 177.5 | -179.6 | 173.9 | 0 | 106.1 | Q407 V411 | Q407-K409 PolarHBondContact O-N 3.48Å; K409-V411 PolarHBondContact O-N 2.77Å | ||
| 410 | A | 59.8 | Low | 65.9 | Low | 96 Ų | 96 | 105.9 Ų | 105.9 | 79% | 0.793 | 60% | 0.601 | S | S | * | * | trans | -55.4 | 105.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 106.7 | P408 P412 | P408-A410 PolarHBondContact O-N 3.09Å; A410-P412 WeakPolarHBondContact O-CD 3.27Å | ||
| 411 | V | 58.6 | Low | 66.5 | Low | 104 Ų | 104 | 109.8 Ų | 109.8 | 63% | 0.63 | 61% | 0.611 | S | S | * | * | trans | -64 | 120.6 | 171.2 | 178 | 0 | 0 | 0 | 0 | 104.5 | K409 A413 A415 | K409-V411 PolarHBondContact O-N 2.77Å; V411-A413 PolarHBondContact O-N 3.47Å; V411-A415 HydrophobicContact CG1-CB 3.87Å | ||
| 412 | P | 62.2 | Low | 67.1 | Low | 89 Ų | 89 | 110.2 Ų | 110.2 | 58% | 0.578 | 61% | 0.607 | S | S | * | * | trans | -53.6 | 136 | 178.1 | 12.2 | -19.8 | 0 | 0 | 0 | 108.5 | A410 D414 A415 | A410-P412 WeakPolarHBondContact O-CD 3.27Å; P412-D414 PolarHBondContact O-N 3.24Å; P412-A415 HydrophobicContact CG-CB 4.03Å; P412-A415 WeakPolarHBondContact O-CB 3.5Å; P412-A415 PolarHBondContact O-N 3.05Å | ||
| 413 | A | 63.1 | Low | 68.1 | Low | 108 Ų | 108 | 106.1 Ų | 106.1 | 89% | 0.893 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.2 | -21 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | V411 | V411-A413 PolarHBondContact O-N 3.47Š|
| 414 | D | 66.2 | Low | 69.5 | Low | 158 Ų | 158 | 108.9 Ų | 108.9 | 85% | 0.845 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | -7.8 | 178.8 | -58.4 | -35 | 0 | 0 | 0 | 114.4 | P412 T416 | P412-D414 PolarHBondContact O-N 3.24Å; D414-T416 PolarHBondContact O-N 3.12Å |
| 415 | A | 68.1 | Low | 70.8 | Confident | 45 Ų | 45 | 110.5 Ų | 110.5 | 37% | 0.372 | 60% | 0.602 | S | S | . | * | S | Bend | trans | -85.1 | 109.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | V411 P412 | V411-A415 HydrophobicContact CG1-CB 3.87Å; P412-A415 HydrophobicContact CG-CB 4.03Å; P412-A415 WeakPolarHBondContact O-CB 3.5Å; P412-A415 PolarHBondContact O-N 3.05Å |
| 416 | T | 72.2 | Confident | 71.8 | Confident | 97 Ų | 97 | 108.2 Ų | 108.2 | 60% | 0.595 | 59% | 0.585 | S | S | * | * | trans | -52.9 | 125.3 | 170.5 | 54.7 | 0 | 0 | 0 | 0 | 109.1 | D414 | D414-T416 PolarHBondContact O-N 3.12Š| ||
| 417 | P | 76.2 | Confident | 73.1 | Confident | 55 Ų | 55 | 109.4 Ų | 109.4 | 36% | 0.357 | 59% | 0.587 | S | S | . | * | trans | -60.6 | 149.6 | -179.3 | 25.5 | -34.6 | 0 | 0 | 0 | 110.2 | W419 A420 | P417-W419 HydrophobicContact CB-CG 4.34Å; P417-W419 VanDerWaalsContact CB-NE1 3.33Å; P417-W419 HydrophobicContact CG-CD2 4.17Å; P417-W419 HydrophobicContact CG-CG 4.38Å; P417-W419 HydrophobicContact CG-CZ2 3.66Å; P417-W419 PolarHBondContact O-N 2.9Å; P417-A420 HydrophobicContact CG-CB 4.11Å; P417-A420 VanDerWaalsContact O-CB 3.3Å; P417-A420 WeakPolarHBondContact O-CB 3.4Å; P417-A420 PolarHBondContact O-N 2.92Å | ||
| 418 | S | 78.9 | Confident | 74.4 | Confident | 82 Ų | 82 | 112.2 Ų | 112.2 | 57% | 0.573 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -58.2 | -25.3 | -173.4 | 62.3 | 0 | 0 | 0 | 0 | 114 | R422 | S418-R422 PolarHBondContact O-N 2.87Å; S418-R422 VanDerWaalsContact O-N 3.15Å |
| 419 | W | 80.5 | Confident | 75.8 | Confident | 179 Ų | 179 | 109.3 Ų | 109.3 | 68% | 0.678 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -68.4 | -32.7 | 172.8 | 68.3 | -103.7 | 0 | 0 | 0 | 112.8 | P417 R422 A423 | P417-W419 HydrophobicContact CB-CG 4.34Å; P417-W419 VanDerWaalsContact CB-NE1 3.33Å; P417-W419 HydrophobicContact CG-CD2 4.17Å; P417-W419 HydrophobicContact CG-CG 4.38Å; P417-W419 HydrophobicContact CG-CZ2 3.66Å; P417-W419 PolarHBondContact O-N 2.9Å; W419-R422 PolarHBondContact O-N 3.35Å; W419-A423 VanDerWaalsContact O-CB 3.28Å; W419-A423 WeakPolarHBondContact O-CB 3.48Å; W419-A423 PolarHBondContact O-N 2.95Å |
| 420 | A | 82.7 | Confident | 76.9 | Confident | 15 Ų | 15 | 109.1 Ų | 109.1 | 12% | 0.124 | 57% | 0.571 | C | S | . | * | H | α-helix | trans | -66 | -44.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110 | P417 R422 A423 E424 | P417-A420 HydrophobicContact CG-CB 4.11Å; P417-A420 VanDerWaalsContact O-CB 3.3Å; P417-A420 WeakPolarHBondContact O-CB 3.4Å; P417-A420 PolarHBondContact O-N 2.92Å; A420-R422 PolarHBondContact O-N 3.49Å; A420-A423 PolarHBondContact O-N 2.98Å; A420-A423 VanDerWaalsContact O-N 3.15Å; A420-E424 WeakPolarHBondContact O-CG 3.43Å; A420-E424 PolarHBondContact O-N 3.27Å |
| 421 | R | 79.8 | Confident | 78 | Confident | 188 Ų | 188 | 109.5 Ų | 109.5 | 71% | 0.709 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -60.3 | -42.7 | 173.6 | -167.9 | 179.8 | -176 | 127.5 | 0 | 112.5 | E425 | R421-E425 WeakPolarHBondContact O-CB 3.04Å; R421-E425 PolarHBondContact O-N 3.22Å |
| 422 | R | 82.1 | Confident | 79.2 | Confident | 158 Ų | 158 | 113.5 Ų | 113.5 | 60% | 0.596 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -66.9 | -35.8 | 174.9 | -71.9 | -172.9 | -142.8 | 159.7 | 4 | 112.5 | S418 W419 A420 K426 | S418-R422 PolarHBondContact O-N 2.87Å; S418-R422 VanDerWaalsContact O-N 3.15Å; W419-R422 PolarHBondContact O-N 3.35Å; A420-R422 PolarHBondContact O-N 3.49Å; R422-K426 WeakPolarHBondContact O-CB 3.48Å; R422-K426 VanDerWaalsContact O-CG 3.27Å; R422-K426 WeakPolarHBondContact O-CG 3.43Å; R422-K426 PolarHBondContact O-N 3.02Å |
| 423 | A | 84 | Confident | 79.9 | Confident | 49 Ų | 49 | 115.1 Ų | 115.1 | 41% | 0.405 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -67.3 | -43.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111 | W419 A420 K426 Q427 | W419-A423 VanDerWaalsContact O-CB 3.28Å; W419-A423 WeakPolarHBondContact O-CB 3.48Å; W419-A423 PolarHBondContact O-N 2.95Å; A420-A423 PolarHBondContact O-N 2.98Å; A420-A423 VanDerWaalsContact O-N 3.15Å; A423-K426 PolarHBondContact O-N 2.68Å; A423-Q427 WeakPolarHBondContact O-CB 3.22Å; A423-Q427 PolarHBondContact O-N 2.84Å |
| 424 | E | 85.5 | Confident | 80.6 | Confident | 108 Ų | 108 | 112.1 Ų | 112.1 | 51% | 0.505 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.1 | -47.6 | 172.7 | -73.4 | 175 | -178.2 | 0 | 0 | 111.5 | A420 K426 Q427 Y428 | A420-E424 WeakPolarHBondContact O-CG 3.43Å; A420-E424 PolarHBondContact O-N 3.27Å; E424-K426 VanDerWaalsContact C-N 3.28Å; E424-K426 PolarHBondContact O-N 3.49Å; E424-Q427 WeakPolarHBondContact O-CB 3.46Å; E424-Q427 PolarHBondContact O-N 3.31Å; E424-Q427 VanDerWaalsContact O-N 3.13Å; E424-Y428 VanDerWaalsContact O-CD2 3.28Å; E424-Y428 WeakPolarHBondContact O-CD2 3.38Å; E424-Y428 PolarHBondContact O-N 2.95Å |
| 425 | E | 87.9 | Confident | 80.8 | Confident | 137 Ų | 137 | 110.8 Ų | 110.8 | 64% | 0.64 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -59.4 | -40.9 | 176.7 | -172.7 | 179.2 | -175.5 | 0 | 0 | 111.7 | R421 Y428 S429 | R421-E425 WeakPolarHBondContact O-CB 3.04Å; R421-E425 PolarHBondContact O-N 3.22Å; E425-Y428 PolarHBondContact O-N 3.23Å; E425-S429 WeakPolarHBondContact O-CB 3.46Å; E425-S429 PolarHBondContact O-N 3.13Å |
| 426 | K | 87.7 | Confident | 81 | Confident | 99 Ų | 99 | 114 Ų | 114 | 43% | 0.43 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.8 | -42.3 | 174.5 | -75.3 | -68.7 | -177.1 | -174.7 | 0 | 112 | R422 A423 E424 S429 W430 | R422-K426 WeakPolarHBondContact O-CB 3.48Å; R422-K426 VanDerWaalsContact O-CG 3.27Å; R422-K426 WeakPolarHBondContact O-CG 3.43Å; R422-K426 PolarHBondContact O-N 3.02Å; A423-K426 PolarHBondContact O-N 2.68Å; E424-K426 VanDerWaalsContact C-N 3.28Å; E424-K426 PolarHBondContact O-N 3.49Å; K426-S429 WeakPolarHBondContact CA-OG 3.41Å; K426-S429 PolarHBondContact O-N 2.86Å; K426-S429 PolarHBondContact O-OG 2.98Å; K426-W430 WeakPolarHBondContact O-CB 3.41Å; K426-W430 PolarHBondContact O-N 2.88Å |
| 427 | Q | 86.6 | Confident | 80.4 | Confident | 127 Ų | 127 | 116.2 Ų | 116.2 | 59% | 0.593 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -59.1 | -47.4 | 175 | -178.6 | 179.7 | -25.9 | 0 | 0 | 111.3 | A423 E424 S429 W430 Q431 | A423-Q427 WeakPolarHBondContact O-CB 3.22Å; A423-Q427 PolarHBondContact O-N 2.84Å; E424-Q427 WeakPolarHBondContact O-CB 3.46Å; E424-Q427 PolarHBondContact O-N 3.31Å; E424-Q427 VanDerWaalsContact O-N 3.13Å; Q427-S429 VanDerWaalsContact C-N 3.33Å; Q427-S429 PolarHBondContact O-N 3.38Å; Q427-W430 PolarHBondContact O-N 3.31Å; Q427-Q431 WeakPolarHBondContact O-CB 3.37Å; Q427-Q431 PolarHBondContact O-N 3.31Å |
| 428 | Y | 85.2 | Confident | 79.4 | Confident | 163 Ų | 163 | 117.6 Ų | 117.6 | 64% | 0.639 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -61.1 | -40.3 | 174.6 | -85.4 | -73.9 | 0 | 0 | 0 | 112.3 | E424 E425 Q431 R432 | E424-Y428 VanDerWaalsContact O-CD2 3.28Å; E424-Y428 WeakPolarHBondContact O-CD2 3.38Å; E424-Y428 PolarHBondContact O-N 2.95Å; E425-Y428 PolarHBondContact O-N 3.23Å; Y428-Q431 PolarHBondContact O-N 2.95Å; Y428-R432 PolarHBondContact O-N 3.5Å |
| 429 | S | 85.2 | Confident | 78.4 | Confident | 45 Ų | 45 | 118.7 Ų | 118.7 | 32% | 0.315 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.6 | -39.4 | 177.1 | 77.5 | 0 | 0 | 0 | 0 | 112.5 | E425 K426 Q427 Q433 | E425-S429 WeakPolarHBondContact O-CB 3.46Å; E425-S429 PolarHBondContact O-N 3.13Å; K426-S429 WeakPolarHBondContact CA-OG 3.41Å; K426-S429 PolarHBondContact O-N 2.86Å; K426-S429 PolarHBondContact O-OG 2.98Å; Q427-S429 VanDerWaalsContact C-N 3.33Å; Q427-S429 PolarHBondContact O-N 3.38Å; S429-Q433 WeakPolarHBondContact O-CB 3.21Å; S429-Q433 WeakPolarHBondContact O-CG 3.3Å; S429-Q433 PolarHBondContact O-N 3.02Å |
| 430 | W | 81.6 | Confident | 77.5 | Confident | 189 Ų | 189 | 113.3 Ų | 113.3 | 72% | 0.716 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -70.8 | -38.6 | 177 | -77 | 5.3 | 0 | 0 | 0 | 112 | K426 Q427 Q433 G434 | K426-W430 WeakPolarHBondContact O-CB 3.41Å; K426-W430 PolarHBondContact O-N 2.88Å; Q427-W430 PolarHBondContact O-N 3.31Å; W430-Q433 PolarHBondContact O-N 2.92Å; W430-G434 PolarHBondContact O-N 2.8Å |
| 431 | Q | 84 | Confident | 76.4 | Confident | 104 Ų | 104 | 122.9 Ų | 122.9 | 49% | 0.486 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -64 | -46.3 | 175.8 | -170.8 | 168 | 2.6 | 0 | 0 | 110.9 | Q427 Y428 Q433 G434 E435 | Q427-Q431 WeakPolarHBondContact O-CB 3.37Å; Q427-Q431 PolarHBondContact O-N 3.31Å; Y428-Q431 PolarHBondContact O-N 2.95Å; Q431-Q433 PolarHBondContact O-N 2.95Å; Q431-G434 PolarHBondContact O-N 3.17Å; Q431-E435 WeakPolarHBondContact O-CG 3.15Å; Q431-E435 PolarHBondContact O-N 3.35Å |
| 432 | R | 83.1 | Confident | 75.3 | Confident | 188 Ų | 188 | 119.8 Ų | 119.8 | 71% | 0.709 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -61.9 | -42.3 | 173.1 | -79.8 | -147.2 | -105.1 | -165 | -6.2 | 112.7 | Y428 G434 E435 T436 | Y428-R432 PolarHBondContact O-N 3.5Å; R432-G434 VanDerWaalsContact C-N 3.34Å; R432-G434 PolarHBondContact O-N 2.61Å; R432-E435 PolarHBondContact O-N 3.38Å; R432-T436 PolarHBondContact O-N 2.73Å; R432-T436 PolarHBondContact O-OG1 2.86Å |
| 433 | Q | 78.1 | Confident | 74.2 | Confident | 124 Ų | 124 | 122 Ų | 122 | 58% | 0.579 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -63.3 | -40.5 | 176.3 | -80.8 | -169.2 | -22.8 | 0 | 0 | 112.1 | S429 W430 Q431 T436 M437 | S429-Q433 WeakPolarHBondContact O-CB 3.21Å; S429-Q433 WeakPolarHBondContact O-CG 3.3Å; S429-Q433 PolarHBondContact O-N 3.02Å; W430-Q433 PolarHBondContact O-N 2.92Å; Q431-Q433 PolarHBondContact O-N 2.95Å; Q433-T436 WeakPolarHBondContact CA-OG1 3.29Å; Q433-T436 PolarHBondContact O-N 2.79Å; Q433-T436 PolarHBondContact O-OG1 3.48Å; Q433-M437 VanDerWaalsContact O-CB 3.3Å; Q433-M437 WeakPolarHBondContact O-CB 3.44Å; Q433-M437 WeakPolarHBondContact O-CG 3.11Å; Q433-M437 PolarHBondContact O-N 3.14Å |
| 434 | G | 76.4 | Confident | 73.1 | Confident | 45 Ų | 45 | 124.7 Ų | 124.7 | 46% | 0.464 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -64.6 | -35.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | W430 Q431 R432 | W430-G434 PolarHBondContact O-N 2.8Å; Q431-G434 PolarHBondContact O-N 3.17Å; R432-G434 VanDerWaalsContact C-N 3.34Å; R432-G434 PolarHBondContact O-N 2.61Å |
| 435 | E | 71.5 | Confident | 71.9 | Confident | 129 Ų | 129 | 124.9 Ų | 124.9 | 60% | 0.603 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -71.9 | -34.2 | 174 | -72.7 | 172.7 | -172.4 | 0 | 0 | 112.7 | Q431 R432 | Q431-E435 WeakPolarHBondContact O-CG 3.15Å; Q431-E435 PolarHBondContact O-N 3.35Å; R432-E435 PolarHBondContact O-N 3.38Å |
| 436 | T | 72.7 | Confident | 70.5 | Confident | 112 Ų | 112 | 123.9 Ų | 123.9 | 69% | 0.687 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -82.3 | -18.1 | 175.5 | 49.3 | 0 | 0 | 0 | 0 | 114.5 | R432 Q433 D438 | R432-T436 PolarHBondContact O-N 2.73Å; R432-T436 PolarHBondContact O-OG1 2.86Å; Q433-T436 WeakPolarHBondContact CA-OG1 3.29Å; Q433-T436 PolarHBondContact O-N 2.79Å; Q433-T436 PolarHBondContact O-OG1 3.48Å; T436-D438 PolarHBondContact O-N 3.02Å |
| 437 | M | 58.4 | Low | 68.9 | Low | 145 Ų | 145 | 130.9 Ų | 130.9 | 71% | 0.714 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -80.4 | 101.9 | 177.9 | -81.4 | -115.5 | 145.2 | 0 | 0 | 110.2 | Q433 | Q433-M437 VanDerWaalsContact O-CB 3.3Å; Q433-M437 WeakPolarHBondContact O-CB 3.44Å; Q433-M437 WeakPolarHBondContact O-CG 3.11Å; Q433-M437 PolarHBondContact O-N 3.14Å |
| 438 | D | 54.8 | Low | 67.3 | Low | 84 Ų | 84 | 128.9 Ų | 128.9 | 45% | 0.449 | 64% | 0.64 | S | S | . | * | trans | 46.4 | 105.8 | 166.3 | -167.1 | 2.7 | 0 | 0 | 0 | 116.6 | T436 S440 W441 | T436-D438 PolarHBondContact O-N 3.02Å; D438-S440 PolarHBondContact O-N 3.41Å; D438-S440 VanDerWaalsContact OD1-CB 3.22Å; D438-S440 WeakPolarHBondContact OD1-CB 3.2Å; D438-S440 PolarHBondContact OD1-N 3.23Å; D438-S440 PolarHBondContact OD1-OG 2.71Å; D438-S440 WeakPolarHBondContact OD2-CB 3.46Å; D438-S440 PolarHBondContact OD2-OG 2.98Å; D438-W441 PolarHBondContact O-N 2.83Å | ||
| 439 | P | 59.6 | Low | 66.2 | Low | 105 Ų | 105 | 127.8 Ų | 127.8 | 68% | 0.682 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.1 | -17.1 | 172.1 | -23 | 31.6 | 0 | 0 | 0 | 114.5 | W441 N442 R443 | P439-W441 PolarHBondContact O-N 3.31Å; P439-N442 PolarHBondContact O-N 2.99Å; P439-R443 PolarHBondContact O-N 3.39Å |
| 440 | S | 60.5 | Low | 65.5 | Low | 65 Ų | 65 | 130.6 Ų | 130.6 | 46% | 0.455 | 66% | 0.662 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.6 | -27.6 | 175.3 | 82.8 | 0 | 0 | 0 | 0 | 113.5 | D438 R443 | D438-S440 PolarHBondContact O-N 3.41Å; D438-S440 VanDerWaalsContact OD1-CB 3.22Å; D438-S440 WeakPolarHBondContact OD1-CB 3.2Å; D438-S440 PolarHBondContact OD1-N 3.23Å; D438-S440 PolarHBondContact OD1-OG 2.71Å; D438-S440 WeakPolarHBondContact OD2-CB 3.46Å; D438-S440 PolarHBondContact OD2-OG 2.98Å; S440-R443 PolarHBondContact O-N 2.93Å |
| 441 | W | 58.8 | Low | 65.3 | Low | 217 Ų | 217 | 124.5 Ų | 124.5 | 82% | 0.822 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | -21.8 | 177.3 | -70 | 85.9 | 0 | 0 | 0 | 113.2 | D438 P439 | D438-W441 PolarHBondContact O-N 2.83Å; P439-W441 PolarHBondContact O-N 3.31Å |
| 442 | N | 58.3 | Low | 65.1 | Low | 122 Ų | 122 | 122.6 Ų | 122.6 | 65% | 0.652 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | 5.2 | 173 | -80 | -36.1 | 0 | 0 | 0 | 113 | P439 P444 | P439-N442 PolarHBondContact O-N 2.99Å; N442-P444 WeakPolarHBondContact O-CD 3.43Å |
| 443 | R | 59.3 | Low | 65.1 | Low | 205 Ų | 205 | 118.6 Ų | 118.6 | 77% | 0.774 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -68 | 122.2 | 171.8 | -122.2 | 179.2 | -160.6 | -124.7 | 2.7 | 107.9 | P439 S440 | P439-R443 PolarHBondContact O-N 3.39Å; S440-R443 PolarHBondContact O-N 2.93Å |
| 444 | P | 60.5 | Low | 65.4 | Low | 106 Ų | 106 | 121.3 Ų | 121.3 | 69% | 0.688 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 136.3 | 167.7 | 22.4 | -30.6 | 0 | 0 | 0 | 107.4 | N442 | N442-P444 WeakPolarHBondContact O-CD 3.43Š|
| 445 | P | 60.4 | Low | 65.9 | Low | 111 Ų | 111 | 120.3 Ų | 120.3 | 72% | 0.721 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 139.7 | 177 | 19.9 | -30.5 | 0 | 0 | 0 | 107.9 | R447 | P445-R447 PolarHBondContact O-N 2.89Å; P445-R447 VanDerWaalsContact O-N 3.16Å |
| 446 | P | 58.7 | Low | 66.4 | Low | 117 Ų | 117 | 119.3 Ų | 119.3 | 76% | 0.76 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 132.4 | 175.9 | 21.2 | -31.3 | 0 | 0 | 0 | 107.3 | S448 | P446-S448 PolarHBondContact O-N 3.4Š|
| 447 | R | 54 | Low | 67 | Low | 245 Ų | 245 | 123.1 Ų | 123.1 | 93% | 0.925 | 63% | 0.632 | S | S | * | * | trans | -64.2 | 71.4 | 173.7 | -69 | -176.4 | -179.7 | -171.3 | 0.6 | 108.1 | P445 T449 | P445-R447 PolarHBondContact O-N 2.89Å; P445-R447 VanDerWaalsContact O-N 3.16Å; R447-T449 PolarHBondContact O-N 3.35Å; R447-T449 VanDerWaalsContact O-N 3.14Å | ||
| 448 | S | 52.2 | Low | 68.3 | Low | 86 Ų | 86 | 118.6 Ų | 118.6 | 60% | 0.601 | 62% | 0.617 | S | S | * | * | trans | -69.7 | 104.7 | 165.6 | 179 | 0 | 0 | 0 | 0 | 104.5 | P446 D450 | P446-S448 PolarHBondContact O-N 3.4Å; S448-D450 PolarHBondContact O-N 2.73Å; S448-D450 PolarHBondContact OG-O 3.03Å | ||
| 449 | T | 62.2 | Low | 69.8 | Low | 140 Ų | 140 | 119.7 Ų | 119.7 | 86% | 0.859 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -58.4 | -12.8 | 176.5 | -30.7 | 0 | 0 | 0 | 0 | 111.8 | R447 | R447-T449 PolarHBondContact O-N 3.35Å; R447-T449 VanDerWaalsContact O-N 3.14Å |
| 450 | D | 70.9 | Confident | 71.3 | Confident | 104 Ų | 104 | 121.5 Ų | 121.5 | 56% | 0.556 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -104.8 | 125.3 | 172.3 | -79.4 | -61.1 | 0 | 0 | 0 | 112.3 | S448 K456 | S448-D450 PolarHBondContact O-N 2.73Å; S448-D450 PolarHBondContact OG-O 3.03Å; D450-K456 IonicContact OD1-NZ 3.82Å |
| 451 | P | 76.5 | Confident | 72.6 | Confident | 61 Ų | 61 | 121.4 Ų | 121.4 | 40% | 0.396 | 61% | 0.613 | S | S | . | * | trans | -64.6 | 145.2 | 171.1 | 27.8 | -33.1 | 0 | 0 | 0 | 109.8 | A455 K456 | P451-A455 HydrophobicContact CB-CB 3.98Å; P451-K456 HydrophobicContact CG-CG 4.09Å | ||
| 452 | P | 80.8 | Confident | 74.1 | Confident | 64 Ų | 64 | 116.1 Ų | 116.1 | 42% | 0.416 | 60% | 0.598 | S | S | . | * | trans | -58.2 | 153.5 | 179.7 | 24.3 | -33.7 | 0 | 0 | 0 | 111.3 | W454 A455 K456 | P452-W454 HydrophobicContact CB-CG 4.43Å; P452-W454 HydrophobicContact CG-CD2 4.25Å; P452-W454 VanDerWaalsContact CG-CE2 3.47Å; P452-W454 HydrophobicContact CG-CG 4.47Å; P452-W454 HydrophobicContact CG-CZ2 3.75Å; P452-W454 VanDerWaalsContact CG-NE1 3.27Å; P452-W454 PolarHBondContact O-N 2.95Å; P452-W454 VanDerWaalsContact O-N 3.08Å; P452-A455 HydrophobicContact CG-CB 3.97Å; P452-A455 WeakPolarHBondContact O-CA 3.3Å; P452-A455 VanDerWaalsContact O-CB 3.31Å; P452-A455 WeakPolarHBondContact O-CB 3.38Å; P452-A455 PolarHBondContact O-N 3.4Å; P452-K456 PolarHBondContact O-N 3.4Å | ||
| 453 | S | 82 | Confident | 75.7 | Confident | 104 Ų | 104 | 115.7 Ų | 115.7 | 73% | 0.727 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -56.6 | -31.6 | -173.6 | 63 | 0 | 0 | 0 | 0 | 113.8 | A455 K456 R457 | S453-A455 VanDerWaalsContact C-N 3.33Å; S453-K456 PolarHBondContact O-N 2.96Å; S453-R457 PolarHBondContact O-N 3.46Å; S453-R457 VanDerWaalsContact O-N 3.08Å |
| 454 | W | 84.5 | Confident | 77.1 | Confident | 181 Ų | 181 | 111.1 Ų | 111.1 | 69% | 0.686 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -67.3 | -31.6 | 173.9 | 68.2 | -102.6 | 0 | 0 | 0 | 112.5 | P452 R457 A458 | P452-W454 HydrophobicContact CB-CG 4.43Å; P452-W454 HydrophobicContact CG-CD2 4.25Å; P452-W454 VanDerWaalsContact CG-CE2 3.47Å; P452-W454 HydrophobicContact CG-CG 4.47Å; P452-W454 HydrophobicContact CG-CZ2 3.75Å; P452-W454 VanDerWaalsContact CG-NE1 3.27Å; P452-W454 PolarHBondContact O-N 2.95Å; P452-W454 VanDerWaalsContact O-N 3.08Å; W454-R457 PolarHBondContact O-N 2.87Å; W454-A458 VanDerWaalsContact O-CB 3.3Å; W454-A458 WeakPolarHBondContact O-CB 3.35Å; W454-A458 PolarHBondContact O-N 3.27Å |
| 455 | A | 86.3 | Confident | 78.3 | Confident | 23 Ų | 23 | 115.3 Ų | 115.3 | 19% | 0.19 | 59% | 0.585 | C | S | . | * | H | α-helix | trans | -71.1 | -41.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | P451 P452 S453 R457 A458 E459 | P451-A455 HydrophobicContact CB-CB 3.98Å; P452-A455 HydrophobicContact CG-CB 3.97Å; P452-A455 WeakPolarHBondContact O-CA 3.3Å; P452-A455 VanDerWaalsContact O-CB 3.31Å; P452-A455 WeakPolarHBondContact O-CB 3.38Å; P452-A455 PolarHBondContact O-N 3.4Å; S453-A455 VanDerWaalsContact C-N 3.33Å; A455-R457 VanDerWaalsContact C-N 3.3Å; A455-R457 PolarHBondContact O-N 3.02Å; A455-A458 PolarHBondContact O-N 3.02Å; A455-E459 WeakPolarHBondContact O-CB 3.29Å; A455-E459 PolarHBondContact O-N 3.21Å |
| 456 | K | 83.3 | Confident | 79.7 | Confident | 108 Ų | 108 | 117.2 Ų | 117.2 | 47% | 0.47 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -60.5 | -39.5 | 170.6 | -64.6 | -174.1 | -178.2 | -179.6 | 0 | 111.6 | D450 P451 P452 S453 K460 | D450-K456 IonicContact OD1-NZ 3.82Å; P451-K456 HydrophobicContact CG-CG 4.09Å; P452-K456 PolarHBondContact O-N 3.4Å; S453-K456 PolarHBondContact O-N 2.96Å; K456-K460 PolarHBondContact O-N 3.44Å; K456-K460 VanDerWaalsContact O-N 3.12Å |
| 457 | R | 84.8 | Confident | 81.2 | Confident | 193 Ų | 193 | 118 Ų | 118 | 73% | 0.728 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -66.3 | -43.9 | 174.8 | -175.7 | 179.7 | -75.3 | 171.6 | -4 | 111.8 | S453 W454 A455 K460 T461 | S453-R457 PolarHBondContact O-N 3.46Å; S453-R457 VanDerWaalsContact O-N 3.08Å; W454-R457 PolarHBondContact O-N 2.87Å; A455-R457 VanDerWaalsContact C-N 3.3Å; A455-R457 PolarHBondContact O-N 3.02Å; R457-K460 PolarHBondContact O-N 3.09Å; R457-T461 PolarHBondContact O-N 3.04Å; R457-T461 PolarHBondContact O-OG1 2.99Å; R457-T461 VanDerWaalsContact O-OG1 3.11Å |
| 458 | A | 85.7 | Confident | 82.8 | Confident | 49 Ų | 49 | 111.8 Ų | 111.8 | 41% | 0.405 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.5 | -42 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | W454 A455 T461 Q462 | W454-A458 VanDerWaalsContact O-CB 3.3Å; W454-A458 WeakPolarHBondContact O-CB 3.35Å; W454-A458 PolarHBondContact O-N 3.27Å; A455-A458 PolarHBondContact O-N 3.02Å; A458-T461 PolarHBondContact O-N 3.44Å; A458-Q462 WeakPolarHBondContact O-CB 3.39Å; A458-Q462 PolarHBondContact O-N 3.35Å |
| 459 | E | 87.3 | Confident | 84.4 | Confident | 107 Ų | 107 | 110.1 Ų | 110.1 | 50% | 0.5 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62 | -44.3 | 175.5 | -173.4 | 175.8 | -169.5 | 0 | 0 | 111.5 | A455 T461 Q462 Q463 | A455-E459 WeakPolarHBondContact O-CB 3.29Å; A455-E459 PolarHBondContact O-N 3.21Å; E459-T461 VanDerWaalsContact C-N 3.35Å; E459-T461 PolarHBondContact O-N 3.38Å; E459-Q462 PolarHBondContact O-N 3.48Å; E459-Q463 WeakPolarHBondContact O-CG 3.15Å; E459-Q463 PolarHBondContact O-N 2.96Å |
| 460 | K | 90.1 | Very high | 85.7 | Confident | 143 Ų | 143 | 108.8 Ų | 108.8 | 62% | 0.622 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -59.8 | -44 | 174.1 | -174.4 | 177.8 | -178 | 175.6 | 0 | 112 | K456 R457 Q462 Q463 L464 | K456-K460 PolarHBondContact O-N 3.44Å; K456-K460 VanDerWaalsContact O-N 3.12Å; R457-K460 PolarHBondContact O-N 3.09Å; K460-Q462 VanDerWaalsContact C-N 3.35Å; K460-Q463 PolarHBondContact O-N 3.3Å; K460-L464 WeakPolarHBondContact O-CG 3.47Å; K460-L464 PolarHBondContact O-N 2.93Å; K460-L464 VanDerWaalsContact O-N 3.11Å |
| 461 | T | 87.6 | Confident | 86.6 | Confident | 63 Ų | 63 | 105.8 Ų | 105.8 | 39% | 0.387 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.5 | -39.3 | 176.4 | -57.8 | 0 | 0 | 0 | 0 | 111.3 | R457 A458 E459 L464 W465 | R457-T461 PolarHBondContact O-N 3.04Å; R457-T461 PolarHBondContact O-OG1 2.99Å; R457-T461 VanDerWaalsContact O-OG1 3.11Å; A458-T461 PolarHBondContact O-N 3.44Å; E459-T461 VanDerWaalsContact C-N 3.35Å; E459-T461 PolarHBondContact O-N 3.38Å; T461-L464 WeakPolarHBondContact O-CB 3.31Å; T461-L464 PolarHBondContact O-N 3.47Å; T461-W465 PolarHBondContact O-N 2.98Å |
| 462 | Q | 90.2 | Very high | 87 | Confident | 106 Ų | 106 | 110 Ų | 110 | 50% | 0.495 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.3 | -39.6 | 176.9 | -170.7 | 177.8 | 14.6 | 0 | 0 | 112.1 | A458 E459 K460 W465 R466 | A458-Q462 WeakPolarHBondContact O-CB 3.39Å; A458-Q462 PolarHBondContact O-N 3.35Å; E459-Q462 PolarHBondContact O-N 3.48Å; K460-Q462 VanDerWaalsContact C-N 3.35Å; Q462-W465 PolarHBondContact O-N 3.34Å; Q462-R466 WeakPolarHBondContact O-CG 3.46Å; Q462-R466 PolarHBondContact O-N 2.94Å |
| 463 | Q | 91.7 | Very high | 87.3 | Confident | 113 Ų | 113 | 111.2 Ų | 111.2 | 53% | 0.528 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.5 | -42.5 | 173.8 | -73.2 | 177.4 | 3 | 0 | 0 | 111.7 | E459 K460 W465 R466 H467 | E459-Q463 WeakPolarHBondContact O-CG 3.15Å; E459-Q463 PolarHBondContact O-N 2.96Å; K460-Q463 PolarHBondContact O-N 3.3Å; Q463-W465 VanDerWaalsContact C-N 3.34Å; Q463-W465 PolarHBondContact O-N 3.42Å; Q463-R466 PolarHBondContact O-N 2.85Å; Q463-H467 WeakPolarHBondContact O-CB 3.44Å; Q463-H467 PolarHBondContact O-N 3.43Å |
| 464 | L | 89.6 | Confident | 87.6 | Confident | 109 Ų | 109 | 112 Ų | 112 | 57% | 0.571 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.7 | -43.4 | 174.2 | -73.2 | 168.3 | 0 | 0 | 0 | 111.7 | K460 T461 H467 E468 | K460-L464 WeakPolarHBondContact O-CG 3.47Å; K460-L464 PolarHBondContact O-N 2.93Å; K460-L464 VanDerWaalsContact O-N 3.11Å; T461-L464 WeakPolarHBondContact O-CB 3.31Å; T461-L464 PolarHBondContact O-N 3.47Å; L464-H467 PolarHBondContact O-N 3.3Å; L464-E468 WeakPolarHBondContact O-CB 3.47Å; L464-E468 PolarHBondContact O-N 3Å |
| 465 | W | 86.2 | Confident | 87.7 | Confident | 194 Ų | 194 | 111.4 Ų | 111.4 | 74% | 0.735 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -68.6 | -37.1 | 179.4 | -76.5 | 42.9 | 0 | 0 | 0 | 112.3 | T461 Q462 Q463 E468 A469 | T461-W465 PolarHBondContact O-N 2.98Å; Q462-W465 PolarHBondContact O-N 3.34Å; Q463-W465 VanDerWaalsContact C-N 3.34Å; Q463-W465 PolarHBondContact O-N 3.42Å; W465-E468 PolarHBondContact O-N 2.9Å; W465-A469 VanDerWaalsContact O-CB 3.24Å; W465-A469 WeakPolarHBondContact O-CB 3.42Å; W465-A469 PolarHBondContact O-N 3.3Å |
| 466 | R | 89.7 | Confident | 87.5 | Confident | 152 Ų | 152 | 113.1 Ų | 113.1 | 57% | 0.574 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.8 | -49.2 | 172.9 | -79.2 | -177.8 | 177.9 | 169.6 | 0.9 | 111.2 | Q462 Q463 E468 A469 E470 | Q462-R466 WeakPolarHBondContact O-CG 3.46Å; Q462-R466 PolarHBondContact O-N 2.94Å; Q463-R466 PolarHBondContact O-N 2.85Å; R466-E468 VanDerWaalsContact C-N 3.32Å; R466-E468 PolarHBondContact O-N 2.93Å; R466-A469 PolarHBondContact O-N 2.8Å; R466-E470 WeakPolarHBondContact O-CB 3.36Å; R466-E470 WeakPolarHBondContact O-CG 3.05Å; R466-E470 PolarHBondContact O-N 2.76Å |
| 467 | H | 90.2 | Very high | 87.5 | Confident | 133 Ų | 133 | 113.7 Ų | 113.7 | 62% | 0.616 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.4 | -39.5 | 178.2 | -172.8 | -83.5 | 0 | 0 | 0 | 112 | Q463 L464 A471 | Q463-H467 WeakPolarHBondContact O-CB 3.44Å; Q463-H467 PolarHBondContact O-N 3.43Å; L464-H467 PolarHBondContact O-N 3.3Å; H467-A471 WeakPolarHBondContact O-CB 3.34Å; H467-A471 PolarHBondContact O-N 2.84Å |
| 468 | E | 87.4 | Confident | 87.4 | Confident | 114 Ų | 114 | 110.4 Ų | 110.4 | 53% | 0.533 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68 | -40.9 | 176.2 | -169.3 | 69.2 | -159.2 | 0 | 0 | 112 | L464 W465 R466 A471 W472 | L464-E468 WeakPolarHBondContact O-CB 3.47Å; L464-E468 PolarHBondContact O-N 3Å; W465-E468 PolarHBondContact O-N 2.9Å; R466-E468 VanDerWaalsContact C-N 3.32Å; R466-E468 PolarHBondContact O-N 2.93Å; E468-A471 PolarHBondContact O-N 3.27Å; E468-W472 WeakPolarHBondContact O-CB 3.41Å; E468-W472 PolarHBondContact O-N 3.43Å |
| 469 | A | 85.7 | Confident | 87 | Confident | 51 Ų | 51 | 112.9 Ų | 112.9 | 42% | 0.421 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.9 | -39.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | W465 R466 W472 N473 | W465-A469 VanDerWaalsContact O-CB 3.24Å; W465-A469 WeakPolarHBondContact O-CB 3.42Å; W465-A469 PolarHBondContact O-N 3.3Å; R466-A469 PolarHBondContact O-N 2.8Å; A469-W472 PolarHBondContact O-N 3.03Å; A469-N473 WeakPolarHBondContact O-CB 3.44Å; A469-N473 PolarHBondContact O-N 3.03Å |
| 470 | E | 90.5 | Very high | 86 | Confident | 112 Ų | 112 | 114.3 Ų | 114.3 | 52% | 0.523 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.2 | -45.4 | 173.4 | -75.1 | 171.9 | -165.3 | 0 | 0 | 111.7 | R466 W472 N473 Q474 | R466-E470 WeakPolarHBondContact O-CB 3.36Å; R466-E470 WeakPolarHBondContact O-CG 3.05Å; R466-E470 PolarHBondContact O-N 2.76Å; E470-W472 VanDerWaalsContact C-N 3.32Å; E470-W472 PolarHBondContact O-N 2.74Å; E470-N473 PolarHBondContact O-N 3.19Å; E470-Q474 WeakPolarHBondContact O-CG 3.5Å; E470-Q474 PolarHBondContact O-N 2.76Å |
| 471 | A | 88.2 | Confident | 84.7 | Confident | 41 Ų | 41 | 114.5 Ų | 114.5 | 34% | 0.339 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.9 | -39.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | H467 E468 Q474 R475 | H467-A471 WeakPolarHBondContact O-CB 3.34Å; H467-A471 PolarHBondContact O-N 2.84Å; E468-A471 PolarHBondContact O-N 3.27Å; A471-Q474 PolarHBondContact O-N 2.7Å; A471-R475 PolarHBondContact O-N 2.97Å |
| 472 | W | 85.9 | Confident | 83.3 | Confident | 151 Ų | 151 | 119.1 Ų | 119.1 | 57% | 0.572 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -65 | -44.4 | 175.5 | -173.2 | 90 | 0 | 0 | 0 | 111.8 | E468 A469 E470 Q474 R475 Q476 | E468-W472 WeakPolarHBondContact O-CB 3.41Å; E468-W472 PolarHBondContact O-N 3.43Å; A469-W472 PolarHBondContact O-N 3.03Å; E470-W472 VanDerWaalsContact C-N 3.32Å; E470-W472 PolarHBondContact O-N 2.74Å; W472-Q474 PolarHBondContact O-N 3.37Å; W472-R475 PolarHBondContact O-N 2.94Å; W472-Q476 HydrophobicContact CD2-CG 4.06Å; W472-Q476 HydrophobicContact CE3-CG 3.9Å; W472-Q476 HydrophobicContact CH2-CG 3.69Å; W472-Q476 HydrophobicContact CZ2-CG 3.84Å; W472-Q476 HydrophobicContact CZ3-CG 3.72Å; W472-Q476 WeakPolarHBondContact O-CG 3.16Å; W472-Q476 PolarHBondContact O-N 3.11Å |
| 473 | N | 87.6 | Confident | 81.7 | Confident | 88 Ų | 88 | 119.6 Ų | 119.6 | 47% | 0.471 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.8 | -41.2 | 175.3 | -85.4 | -28.3 | 0 | 0 | 0 | 112.5 | A469 E470 R475 Q476 Q477 | A469-N473 WeakPolarHBondContact O-CB 3.44Å; A469-N473 PolarHBondContact O-N 3.03Å; E470-N473 PolarHBondContact O-N 3.19Å; N473-R475 VanDerWaalsContact C-N 3.34Å; N473-R475 PolarHBondContact O-N 2.89Å; N473-Q476 PolarHBondContact O-N 3.45Å; N473-Q477 WeakPolarHBondContact O-CG 3.25Å; N473-Q477 PolarHBondContact O-N 3.44Å |
| 474 | Q | 86.9 | Confident | 79.9 | Confident | 121 Ų | 121 | 121.1 Ų | 121.1 | 57% | 0.565 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -62.5 | -41.3 | 174.4 | -73.3 | -176.7 | 28.9 | 0 | 0 | 111.9 | E470 A471 W472 Q476 Q477 Q478 | E470-Q474 WeakPolarHBondContact O-CG 3.5Å; E470-Q474 PolarHBondContact O-N 2.76Å; A471-Q474 PolarHBondContact O-N 2.7Å; W472-Q474 PolarHBondContact O-N 3.37Å; Q474-Q476 VanDerWaalsContact C-N 3.32Å; Q474-Q476 PolarHBondContact O-N 3.07Å; Q474-Q477 PolarHBondContact O-N 3.2Å; Q474-Q478 WeakPolarHBondContact O-CG 3.37Å; Q474-Q478 PolarHBondContact O-N 3.1Å |
| 475 | R | 86.9 | Confident | 78 | Confident | 168 Ų | 168 | 119.6 Ų | 119.6 | 63% | 0.634 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -63.2 | -38.5 | 176.2 | -171.9 | -179.2 | -81.5 | -163.1 | -5.5 | 111.7 | A471 W472 N473 Q478 Q479 | A471-R475 PolarHBondContact O-N 2.97Å; W472-R475 PolarHBondContact O-N 2.94Å; N473-R475 VanDerWaalsContact C-N 3.34Å; N473-R475 PolarHBondContact O-N 2.89Å; R475-Q478 PolarHBondContact O-N 3.02Å; R475-Q479 WeakPolarHBondContact O-CG 3.36Å; R475-Q479 PolarHBondContact O-N 2.83Å |
| 476 | Q | 82.3 | Confident | 76.2 | Confident | 59 Ų | 59 | 116 Ų | 116 | 28% | 0.276 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -64.3 | -41.1 | 174.2 | -71.2 | -61.6 | -43 | 0 | 0 | 112.3 | W472 N473 Q474 Q478 Q479 Q480 | W472-Q476 HydrophobicContact CD2-CG 4.06Å; W472-Q476 HydrophobicContact CE3-CG 3.9Å; W472-Q476 HydrophobicContact CH2-CG 3.69Å; W472-Q476 HydrophobicContact CZ2-CG 3.84Å; W472-Q476 HydrophobicContact CZ3-CG 3.72Å; W472-Q476 WeakPolarHBondContact O-CG 3.16Å; W472-Q476 PolarHBondContact O-N 3.11Å; N473-Q476 PolarHBondContact O-N 3.45Å; Q474-Q476 VanDerWaalsContact C-N 3.32Å; Q474-Q476 PolarHBondContact O-N 3.07Å; Q476-Q478 PolarHBondContact O-N 3.11Å; Q476-Q479 PolarHBondContact O-N 3.24Å; Q476-Q480 PolarHBondContact O-N 2.97Å |
| 477 | Q | 83.4 | Confident | 73.9 | Confident | 121 Ų | 121 | 114.8 Ų | 114.8 | 57% | 0.565 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64.7 | -38.3 | 175.7 | -70.3 | -176.9 | 21.9 | 0 | 0 | 112.4 | N473 Q474 Q480 Q481 | N473-Q477 WeakPolarHBondContact O-CG 3.25Å; N473-Q477 PolarHBondContact O-N 3.44Å; Q474-Q477 PolarHBondContact O-N 3.2Å; Q477-Q480 PolarHBondContact O-N 3.44Å; Q477-Q481 PolarHBondContact O-N 3.26Å; Q477-Q481 VanDerWaalsContact O-N 3.12Å |
| 478 | Q | 81.6 | Confident | 72 | Confident | 123 Ų | 123 | 113.2 Ų | 113.2 | 58% | 0.575 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -65.9 | -38.4 | 174.8 | -70.9 | -179.5 | 24.9 | 0 | 0 | 112.3 | Q474 R475 Q476 Q481 Q482 | Q474-Q478 WeakPolarHBondContact O-CG 3.37Å; Q474-Q478 PolarHBondContact O-N 3.1Å; R475-Q478 PolarHBondContact O-N 3.02Å; Q476-Q478 PolarHBondContact O-N 3.11Å; Q478-Q481 PolarHBondContact O-N 2.71Å; Q478-Q482 PolarHBondContact O-N 3.36Å |
| 479 | Q | 77.1 | Confident | 70.1 | Confident | 102 Ų | 102 | 116.3 Ų | 116.3 | 48% | 0.477 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -64.3 | -41.2 | 174.9 | -73.8 | -176.1 | 27 | 0 | 0 | 111.5 | R475 Q476 Q481 Q482 V483 | R475-Q479 WeakPolarHBondContact O-CG 3.36Å; R475-Q479 PolarHBondContact O-N 2.83Å; Q476-Q479 PolarHBondContact O-N 3.24Å; Q479-Q481 VanDerWaalsContact C-N 3.31Å; Q479-Q481 PolarHBondContact O-N 3.02Å; Q479-Q482 PolarHBondContact O-N 3.19Å; Q479-V483 WeakPolarHBondContact O-CG2 3.35Å; Q479-V483 PolarHBondContact O-N 3.08Å |
| 480 | Q | 67.2 | Low | 67.7 | Low | 136 Ų | 136 | 120.1 Ų | 120.1 | 64% | 0.636 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -65.3 | -31.1 | 176.8 | -71.5 | -178.6 | 36.1 | 0 | 0 | 113.2 | Q476 Q477 | Q476-Q480 PolarHBondContact O-N 2.97Å; Q477-Q480 PolarHBondContact O-N 3.44Å |
| 481 | Q | 62.2 | Low | 65.6 | Low | 148 Ų | 148 | 126.3 Ų | 126.3 | 69% | 0.692 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -74 | -26.5 | 175.1 | -72.4 | -179.7 | 34.2 | 0 | 0 | 113.3 | Q477 Q478 Q479 | Q477-Q481 PolarHBondContact O-N 3.26Å; Q477-Q481 VanDerWaalsContact O-N 3.12Å; Q478-Q481 PolarHBondContact O-N 2.71Å; Q479-Q481 VanDerWaalsContact C-N 3.31Å; Q479-Q481 PolarHBondContact O-N 3.02Å |
| 482 | Q | 58.8 | Low | 64 | Low | 160 Ų | 160 | 129.8 Ų | 129.8 | 75% | 0.748 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -77.7 | -22.2 | 176.8 | -73 | -172.5 | 1.7 | 0 | 0 | 113.6 | Q478 Q479 N484 | Q478-Q482 PolarHBondContact O-N 3.36Å; Q479-Q482 PolarHBondContact O-N 3.19Å; Q482-N484 VanDerWaalsContact C-N 3.33Å |
| 483 | V | 57.1 | Low | 62.8 | Low | 116 Ų | 116 | 128.2 Ų | 128.2 | 70% | 0.703 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -8.2 | -179.5 | -133.1 | 0 | 0 | 0 | 0 | 114 | Q479 | Q479-V483 WeakPolarHBondContact O-CG2 3.35Å; Q479-V483 PolarHBondContact O-N 3.08Å |
| 484 | N | 53.7 | Low | 61.8 | Low | 145 Ų | 145 | 129.6 Ų | 129.6 | 78% | 0.775 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.4 | 14.5 | 179.6 | -86.4 | 0.9 | 0 | 0 | 0 | 114 | Q482 P486 | Q482-N484 VanDerWaalsContact C-N 3.33Å; N484-P486 VanDerWaalsContact O-CD 3.28Å; N484-P486 WeakPolarHBondContact O-CD 3.44Å |
| 485 | A | 48.4 | Very low | 60.5 | Low | 76 Ų | 76 | 129.4 Ų | 129.4 | 63% | 0.628 | 70% | 0.697 | S | S | * | * | trans | -80.9 | 114.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | S487 | A485-S487 PolarHBondContact O-N 3.19Š| ||
| 486 | P | 48.8 | Very low | 59.3 | Low | 118 Ų | 118 | 127.2 Ų | 127.2 | 77% | 0.766 | 71% | 0.705 | S | S | * | * | trans | -64.2 | 124.6 | 175.9 | 24.7 | -31.2 | 0 | 0 | 0 | 110 | N484 S488 | N484-P486 VanDerWaalsContact O-CD 3.28Å; N484-P486 WeakPolarHBondContact O-CD 3.44Å; P486-S488 PolarHBondContact O-N 3.25Å | ||
| 487 | S | 41.9 | Very low | 58 | Low | 128 Ų | 128 | 130.5 Ų | 130.5 | 90% | 0.895 | 73% | 0.731 | S | S | * | * | trans | -65.2 | 95.7 | 176.4 | 61.6 | 0 | 0 | 0 | 0 | 110.6 | A485 | A485-S487 PolarHBondContact O-N 3.19Š| ||
| 488 | S | 49.6 | Very low | 56 | Low | 99 Ų | 99 | 130.1 Ų | 130.1 | 69% | 0.692 | 74% | 0.742 | S | S | * | * | trans | -110.8 | 108.7 | 166.9 | 51.9 | 0 | 0 | 0 | 0 | 110.4 | P486 | P486-S488 PolarHBondContact O-N 3.25Š| ||
| 489 | Q | 48.2 | Very low | 54.1 | Low | 180 Ų | 180 | 129.6 Ų | 129.6 | 84% | 0.841 | 75% | 0.752 | S | S | * | * | trans | 64.6 | 100.6 | 140.2 | -68.3 | 177.7 | -3.4 | 0 | 0 | 119.3 | ||||
| 490 | T | 35.9 | Very low | 52.4 | Low | 131 Ų | 131 | 130.3 Ų | 130.3 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | 37.5 | 108 | 123.9 | 44.9 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 491 | R | 46 | Very low | 50.9 | Low | 242 Ų | 242 | 134.4 Ų | 134.4 | 91% | 0.913 | 77% | 0.774 | S | S | * | * | trans | -157.6 | 131.8 | 133.9 | -146.8 | 169.1 | -178.4 | -136 | -0.3 | 111.9 | ||||
| 492 | P | 54.5 | Low | 49.8 | Very low | 113 Ų | 113 | 135.5 Ų | 135.5 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 148.9 | 176.8 | 30.4 | -32.6 | 0 | 0 | 0 | 111.3 | ||
| 493 | P | 61.2 | Low | 48.6 | Very low | 119 Ų | 119 | 132.7 Ų | 132.7 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 144.6 | -179.7 | 30.5 | -33.3 | 0 | 0 | 0 | 111.6 | ||
| 494 | P | 67.1 | Low | 47.6 | Very low | 116 Ų | 116 | 132.8 Ų | 132.8 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 151.2 | 174.5 | 30.9 | -32.9 | 0 | 0 | 0 | 111.6 | ||
| 495 | P | 58.9 | Low | 46.9 | Very low | 117 Ų | 117 | 130.4 Ų | 130.4 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 152 | -178.6 | 31 | -34.1 | 0 | 0 | 0 | 112.4 | ||
| 496 | P | 61.4 | Low | 46.6 | Very low | 122 Ų | 122 | 137.3 Ų | 137.3 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 139.5 | -177.9 | 30.3 | -33.6 | 0 | 0 | 0 | 112 | ||
| 497 | P | 55.9 | Low | 46.1 | Very low | 128 Ų | 128 | 138 Ų | 138 | 83% | 0.831 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 134.9 | 173.3 | 28.9 | -31.9 | 0 | 0 | 0 | 112 | ||
| 498 | S | 41.4 | Very low | 45.9 | Very low | 114 Ų | 114 | 136.6 Ų | 136.6 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 156.6 | 174 | 43.9 | 0 | 0 | 0 | 0 | 113.5 | ||
| 499 | S | 40.1 | Very low | 45.3 | Very low | 111 Ų | 111 | 137.3 Ų | 137.3 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | trans | 83.5 | 136.5 | 164 | -138.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 500 | T | 42.6 | Very low | 44.7 | Very low | 118 Ų | 118 | 133.6 Ų | 133.6 | 72% | 0.724 | 78% | 0.778 | S | S | * | * | cis | -160.8 | 146.2 | 28.3 | -51 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 501 | Y | 35.3 | Very low | 44.7 | Very low | 221 Ų | 221 | 134.8 Ų | 134.8 | 87% | 0.867 | 78% | 0.779 | S | S | * | * | trans | -53.7 | 138.2 | 166.4 | -72.4 | -110.8 | 0 | 0 | 0 | 111.6 | ||||
| 502 | I | 39.9 | Very low | 44.2 | Very low | 172 Ų | 172 | 128.9 Ų | 128.9 | 88% | 0.882 | 77% | 0.77 | S | S | * | * | trans | -154.9 | 134.2 | 136.1 | -90.9 | 137.9 | 0 | 0 | 0 | 108.3 | ||||
| 503 | S | 32 | Very low | 43.5 | Very low | 100 Ų | 100 | 131.8 Ų | 131.8 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | trans | -85.8 | 158.3 | -168.5 | -159.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 504 | T | 35.9 | Very low | 42.1 | Very low | 118 Ų | 118 | 136.2 Ų | 136.2 | 72% | 0.724 | 78% | 0.777 | S | S | * | * | trans | 89.5 | 124.1 | 147 | -0.2 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 505 | S | 39.1 | Very low | 40.6 | Very low | 96 Ų | 96 | 136.1 Ų | 136.1 | 67% | 0.671 | 78% | 0.779 | S | S | * | * | trans | 85.4 | 105.5 | 139.3 | 42.2 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 506 | R | 42.4 | Very low | 39.4 | Very low | 220 Ų | 220 | 139.1 Ų | 139.1 | 83% | 0.83 | 78% | 0.783 | S | S | * | * | 85.8 | 111.9 | 120.2 | -71.7 | -173.4 | -168 | -138.1 | 5.2 | 119.3 | |||||
| 507 | I | 39.6 | Very low | 38.3 | Very low | 134 Ų | 134 | 139.4 Ų | 139.4 | 69% | 0.687 | 79% | 0.785 | S | S | * | * | 82.4 | 124.4 | 122.2 | -59.8 | 166.9 | 0 | 0 | 0 | 117.7 | |||||
| 508 | S | 37.6 | Very low | 37.4 | Very low | 98 Ų | 98 | 138.8 Ų | 138.8 | 69% | 0.685 | 78% | 0.779 | S | S | * | * | trans | 86.2 | 99.8 | 152.6 | -69.3 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 509 | S | 36.6 | Very low | 37.3 | Very low | 113 Ų | 113 | 140.5 Ų | 140.5 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | 77.6 | 116.1 | 118.2 | -53.3 | 0 | 0 | 0 | 0 | 121 | |||||
| 510 | A | 36 | Very low | 37.3 | Very low | 102 Ų | 102 | 139.5 Ų | 139.5 | 84% | 0.843 | 77% | 0.773 | S | S | * | * | trans | 65.9 | 93.1 | 138.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 511 | N | 35.6 | Very low | 37.3 | Very low | 156 Ų | 156 | 141.6 Ų | 141.6 | 83% | 0.834 | 78% | 0.781 | S | S | * | * | -157.1 | 140.9 | 125.4 | -149 | -7.3 | 0 | 0 | 0 | 113.3 | |||||
| 512 | T | 35.2 | Very low | 37.3 | Very low | 118 Ų | 118 | 138.7 Ų | 138.7 | 72% | 0.724 | 78% | 0.775 | S | S | * | * | trans | -49.9 | 131.8 | 172.4 | -27.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 513 | Q | 39 | Very low | 37.7 | Very low | 174 Ų | 174 | 138 Ų | 138 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | 171 | 126.2 | 128.1 | -96.1 | 179.5 | -35.8 | 0 | 0 | 112 | |||||
| 514 | Y | 32.4 | Very low | 38.3 | Very low | 212 Ų | 212 | 136 Ų | 136 | 83% | 0.831 | 75% | 0.745 | S | S | * | * | trans | 34 | 111.1 | 150.3 | -75 | -93.5 | 0 | 0 | 0 | 119.4 | ||||
| 515 | S | 34.8 | Very low | 38.7 | Very low | 115 Ų | 115 | 135.1 Ų | 135.1 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | -177.6 | 120.5 | 123.6 | -81.5 | 0 | 0 | 0 | 0 | 113 | |||||
| 516 | Q | 34.2 | Very low | 38.9 | Very low | 180 Ų | 180 | 138.2 Ų | 138.2 | 84% | 0.841 | 74% | 0.739 | S | S | * | * | trans | 65.3 | 120.2 | 154.6 | -51.8 | -152.2 | 2.8 | 0 | 0 | 120.8 | ||||
| 517 | P | 38.5 | Very low | 38.9 | Very low | 128 Ų | 128 | 135 Ų | 135 | 83% | 0.831 | 73% | 0.727 | S | S | * | * | trans | -85.2 | 110.5 | 158.5 | 32 | -24.8 | 0 | 0 | 0 | 109.6 | V519 | P517-V519 PolarHBondContact O-N 3.36Š| ||
| 518 | T | 38.2 | Very low | 38.9 | Very low | 114 Ų | 114 | 134.6 Ų | 134.6 | 70% | 0.699 | 72% | 0.722 | S | S | * | * | trans | -45.2 | 129.5 | 155.8 | -55.6 | 0 | 0 | 0 | 0 | 109.4 | T520 | T518-T520 PolarHBondContact O-N 2.91Å; T518-T520 PolarHBondContact O-OG1 3.07Å | ||
| 519 | V | 38.1 | Very low | 38.7 | Very low | 150 Ų | 150 | 138.1 Ų | 138.1 | 91% | 0.909 | 73% | 0.725 | S | S | * | * | trans | -69.5 | 77.5 | 170 | -179.4 | 0 | 0 | 0 | 0 | 107.6 | P517 | P517-V519 PolarHBondContact O-N 3.36Š| ||
| 520 | T | 40.8 | Very low | 38.6 | Very low | 90 Ų | 90 | 139.2 Ų | 139.2 | 55% | 0.552 | 73% | 0.727 | S | S | * | * | trans | -93.8 | 119.2 | 167.9 | -19.9 | 0 | 0 | 0 | 0 | 106 | T518 Q522 | T518-T520 PolarHBondContact O-N 2.91Å; T518-T520 PolarHBondContact O-OG1 3.07Å; T520-Q522 PolarHBondContact O-N 2.84Å | ||
| 521 | D | 41.2 | Very low | 38.5 | Very low | 163 Ų | 163 | 140 Ų | 140 | 87% | 0.872 | 72% | 0.722 | S | S | * | * | trans | -63.3 | 72.1 | 172.8 | -156.7 | 4.7 | 0 | 0 | 0 | 109 | R523 | D521-R523 PolarHBondContact O-N 3.02Š| ||
| 522 | Q | 36 | Very low | 38.3 | Very low | 159 Ų | 159 | 136.9 Ų | 136.9 | 74% | 0.743 | 71% | 0.71 | S | S | * | * | trans | -79.6 | 90.9 | -178 | -79.6 | -138.3 | 3.2 | 0 | 0 | 108.3 | T520 | T520-Q522 PolarHBondContact O-N 2.84Š| ||
| 523 | R | 48.7 | Very low | 37.9 | Very low | 158 Ų | 158 | 140.6 Ų | 140.6 | 60% | 0.596 | 72% | 0.718 | S | S | * | * | trans | -49.3 | 132.8 | 161.5 | -127.8 | -179.5 | -172.4 | -163.6 | 5.6 | 109.1 | D521 | D521-R523 PolarHBondContact O-N 3.02Š| ||
| 524 | P | 44 | Very low | 37.6 | Very low | 57 Ų | 57 | 139.9 Ų | 139.9 | 37% | 0.37 | 72% | 0.715 | S | S | . | * | trans | -53 | 138.3 | 178.7 | -26.6 | 33 | 0 | 0 | 0 | 112.3 | W526 R527 | P524-W526 HydrophobicContact CB-CG 4.46Å; P524-W526 VanDerWaalsContact CB-NE1 3.27Å; P524-W526 PolarHBondContact O-N 3.07Å; P524-R527 PolarHBondContact O-N 2.92Å | ||
| 525 | P | 45.2 | Very low | 37.4 | Very low | 100 Ų | 100 | 134.6 Ų | 134.6 | 65% | 0.649 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | -1.9 | -169.9 | 23.5 | -33.3 | 0 | 0 | 0 | 115.6 | ||
| 526 | W | 42.7 | Very low | 37.2 | Very low | 162 Ų | 162 | 137 Ų | 137 | 61% | 0.614 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | -10.2 | 170.2 | 58.2 | -90.5 | 0 | 0 | 0 | 113.5 | P524 | P524-W526 HydrophobicContact CB-CG 4.46Å; P524-W526 VanDerWaalsContact CB-NE1 3.27Å; P524-W526 PolarHBondContact O-N 3.07Å |
| 527 | R | 42.5 | Very low | 37.1 | Very low | 151 Ų | 151 | 134 Ų | 134 | 57% | 0.57 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -98.5 | 5.6 | 171.7 | -67.2 | -158.1 | 179.1 | -91.1 | 5.8 | 114 | P524 | P524-R527 PolarHBondContact O-N 2.92Š|
| 528 | Q | 39.4 | Very low | 36.6 | Very low | 127 Ų | 127 | 136.8 Ų | 136.8 | 59% | 0.593 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -118.8 | -0.4 | 178.5 | -72 | -176.8 | -10.5 | 0 | 0 | 113.9 | T530 | Q528-T530 PolarHBondContact O-N 3.32Å; Q528-T530 VanDerWaalsContact O-N 3.14Å |
| 529 | K | 33.5 | Very low | 36.2 | Very low | 171 Ų | 171 | 134.2 Ų | 134.2 | 74% | 0.743 | 70% | 0.703 | S | S | * | * | trans | -83.5 | 89.9 | 170.1 | -74.6 | -171.4 | 175.9 | -174.4 | 0 | 109.5 | V531 | K529-V531 PolarHBondContact O-N 2.76Š| ||
| 530 | T | 34.6 | Very low | 35.6 | Very low | 137 Ų | 137 | 135.3 Ų | 135.3 | 84% | 0.84 | 70% | 0.7 | S | S | * | * | trans | -55.8 | 99.1 | 149.6 | -27.2 | 0 | 0 | 0 | 0 | 105.5 | Q528 P532 | Q528-T530 PolarHBondContact O-N 3.32Å; Q528-T530 VanDerWaalsContact O-N 3.14Å; T530-P532 WeakPolarHBondContact O-CD 3.49Å | ||
| 531 | V | 33.8 | Very low | 35 | Very low | 119 Ų | 119 | 141.4 Ų | 141.4 | 72% | 0.721 | 72% | 0.715 | S | S | * | * | trans | -60.1 | 121.6 | 173.4 | -179.4 | 0 | 0 | 0 | 0 | 105.6 | K529 H533 | K529-V531 PolarHBondContact O-N 2.76Å; V531-H533 PolarHBondContact O-N 3.4Å | ||
| 532 | P | 31.1 | Very low | 34.3 | Very low | 90 Ų | 90 | 138.5 Ų | 138.5 | 58% | 0.584 | 71% | 0.714 | S | S | * | * | trans | -58.5 | 137.1 | 174.3 | 25.9 | -31.5 | 0 | 0 | 0 | 107.5 | T530 E534 | T530-P532 WeakPolarHBondContact O-CD 3.49Å; P532-E534 PolarHBondContact O-N 2.72Å | ||
| 533 | H | 27.9 | Very low | 34.1 | Very low | 196 Ų | 196 | 138.9 Ų | 138.9 | 91% | 0.907 | 72% | 0.72 | S | S | * | * | trans | -63.9 | 77.5 | -179.8 | -144 | -76.6 | 0 | 0 | 0 | 108.5 | V531 S535 | V531-H533 PolarHBondContact O-N 3.4Å; H533-S535 PolarHBondContact O-N 2.89Å; H533-S535 VanDerWaalsContact O-N 3.09Å | ||
| 534 | E | 31.7 | Very low | 33.2 | Very low | 158 Ų | 158 | 140.6 Ų | 140.6 | 74% | 0.738 | 73% | 0.732 | S | S | * | * | trans | -69.7 | 108.8 | 174.9 | -77.5 | -176 | -177.8 | 0 | 0 | 107.7 | P532 I536 | P532-E534 PolarHBondContact O-N 2.72Å; E534-I536 PolarHBondContact O-N 3.41Å | ||
| 535 | S | 28.3 | Very low | 32.6 | Very low | 101 Ų | 101 | 145.5 Ų | 145.5 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | trans | -48.7 | 101 | 164.4 | 49.2 | 0 | 0 | 0 | 0 | 109.7 | H533 T537 | H533-S535 PolarHBondContact O-N 2.89Å; H533-S535 VanDerWaalsContact O-N 3.09Å; S535-T537 VanDerWaalsContact C-N 3.26Å; S535-T537 PolarHBondContact O-N 3.06Å | ||
| 536 | I | 31.3 | Very low | 31.8 | Very low | 167 Ų | 167 | 144.6 Ų | 144.6 | 86% | 0.856 | 76% | 0.764 | S | S | * | * | trans | -76.3 | 91.4 | 166.1 | -62.1 | 176.1 | 0 | 0 | 0 | 106.8 | E534 | E534-I536 PolarHBondContact O-N 3.41Š| ||
| 537 | T | 30.8 | Very low | 31.3 | Very low | 115 Ų | 115 | 145.4 Ų | 145.4 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | trans | -47.9 | 132.4 | 165.3 | -48.3 | 0 | 0 | 0 | 0 | 110 | S535 G539 | S535-T537 VanDerWaalsContact C-N 3.26Å; S535-T537 PolarHBondContact O-N 3.06Å; T537-G539 PolarHBondContact O-N 3.1Å | ||
| 538 | Q | 27.7 | Very low | 30.9 | Very low | 188 Ų | 188 | 147.5 Ų | 147.5 | 88% | 0.879 | 79% | 0.791 | S | S | * | * | trans | -49.2 | 99.7 | 170.2 | -85.7 | 173.7 | -22.7 | 0 | 0 | 110.7 | M540 | Q538-M540 PolarHBondContact O-N 3.12Š| ||
| 539 | G | 29.9 | Very low | 30.5 | Very low | 59 Ų | 59 | 147.9 Ų | 147.9 | 61% | 0.608 | 80% | 0.802 | S | S | * | * | trans | -85.2 | 98.6 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109 | T537 Y541 | T537-G539 PolarHBondContact O-N 3.1Å; G539-Y541 PolarHBondContact O-N 3.02Å | ||
| 540 | M | 25.6 | Very low | 30.8 | Very low | 173 Ų | 173 | 144.5 Ų | 144.5 | 85% | 0.852 | 80% | 0.796 | S | S | * | * | trans | -63.6 | 117.8 | 168.8 | -69.5 | -148.8 | 79 | 0 | 0 | 109.8 | Q538 | Q538-M540 PolarHBondContact O-N 3.12Š| ||
| 541 | Y | 28.6 | Very low | 30.5 | Very low | 218 Ų | 218 | 143.2 Ų | 143.2 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | trans | -133 | 113 | 160.7 | -66.6 | -77.6 | 0 | 0 | 0 | 108.7 | G539 | G539-Y541 PolarHBondContact O-N 3.02Š| ||
| 542 | A | 26.7 | Very low | 30.7 | Very low | 103 Ų | 103 | 141.2 Ų | 141.2 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | trans | -78.9 | 117.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 543 | L | 32.5 | Very low | 31 | Very low | 167 Ų | 167 | 141.5 Ų | 141.5 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | trans | -129.7 | 132.4 | 163.1 | -116.8 | 85.6 | 0 | 0 | 0 | 109.4 | ||||
| 544 | K | 30.2 | Very low | 31.4 | Very low | 194 Ų | 194 | 140.8 Ų | 140.8 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -52.9 | 146.2 | 178.6 | -73.1 | 167.2 | 169.7 | 177 | 0 | 111 | ||
| 545 | D | 31.2 | Very low | 32.1 | Very low | 159 Ų | 159 | 135 Ų | 135 | 85% | 0.85 | 78% | 0.775 | S | S | * | * | S | Bend | trans | 78.8 | 67.7 | 170.2 | -49.1 | -31.2 | 0 | 0 | 0 | 117.1 | Q547 | D545-Q547 PolarHBondContact O-N 2.97Å; D545-Q547 VanDerWaalsContact O-N 3.11Å |
| 546 | G | 28.1 | Very low | 33.2 | Very low | 82 Ų | 82 | 132.7 Ų | 132.7 | 85% | 0.845 | 76% | 0.757 | S | S | * | * | 68.9 | 19.4 | 118.8 | 0 | 0 | 0 | 0 | 0 | 122 | |||||
| 547 | Q | 32.9 | Very low | 34.3 | Very low | 179 Ų | 179 | 127.2 Ų | 127.2 | 84% | 0.836 | 74% | 0.737 | S | S | * | * | trans | -134.1 | 114.3 | 164.2 | -80.3 | -159.9 | -32.1 | 0 | 0 | 113.1 | D545 T549 | D545-Q547 PolarHBondContact O-N 2.97Å; D545-Q547 VanDerWaalsContact O-N 3.11Å; Q547-T549 PolarHBondContact O-N 3Å | ||
| 548 | Q | 32.8 | Very low | 35.9 | Very low | 195 Ų | 195 | 125.3 Ų | 125.3 | 91% | 0.911 | 72% | 0.719 | S | S | * | * | trans | -77.3 | 113.7 | 168.7 | -84.7 | -175.2 | 4.1 | 0 | 0 | 109.8 | ||||
| 549 | T | 32.4 | Very low | 37.8 | Very low | 134 Ų | 134 | 119.3 Ų | 119.3 | 82% | 0.822 | 70% | 0.698 | S | S | * | * | trans | -104.4 | 106.2 | 168.5 | -26.8 | 0 | 0 | 0 | 0 | 107.7 | Q547 | Q547-T549 PolarHBondContact O-N 3Š| ||
| 550 | T | 38.3 | Very low | 39.7 | Very low | 101 Ų | 101 | 119.8 Ų | 119.8 | 62% | 0.62 | 69% | 0.688 | S | S | * | * | trans | -89.5 | 121.5 | 172.3 | 8.7 | 0 | 0 | 0 | 0 | 109.3 | V552 | T550-V552 PolarHBondContact O-N 3.18Š| ||
| 551 | A | 29 | Very low | 41.9 | Very low | 109 Ų | 109 | 114 Ų | 114 | 90% | 0.901 | 67% | 0.665 | S | S | * | * | trans | -67.4 | 125.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 552 | V | 38.6 | Very low | 44.4 | Very low | 78 Ų | 78 | 108.7 Ų | 108.7 | 47% | 0.473 | 66% | 0.656 | S | S | . | * | trans | -116.8 | 138.9 | 175.2 | -173.9 | 0 | 0 | 0 | 0 | 109.6 | T550 T556 | T550-V552 PolarHBondContact O-N 3.18Å; V552-T556 HydrophobicContact CG1-CG2 4.39Å | ||
| 553 | S | 35.9 | Very low | 47.1 | Very low | 95 Ų | 95 | 105.1 Ų | 105.1 | 66% | 0.664 | 63% | 0.629 | S | S | * | * | trans | -48.5 | 154.9 | -171.5 | -155.2 | 0 | 0 | 0 | 0 | 116.7 | G555 T556 | S553-G555 PolarHBondContact O-N 2.94Å; S553-G555 VanDerWaalsContact O-N 3.16Å; S553-T556 PolarHBondContact O-N 3.5Å | ||
| 554 | L | 37.7 | Very low | 49.4 | Very low | 182 Ų | 182 | 100.2 Ų | 100.2 | 95% | 0.953 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -43.7 | 116.2 | 179.6 | -84.5 | 113.9 | 0 | 0 | 0 | 111.8 | ||
| 555 | G | 46.4 | Very low | 52 | Low | 36 Ų | 36 | 95.1 Ų | 95.1 | 37% | 0.371 | 59% | 0.586 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 109.3 | -1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | S553 S582 V583 | S553-G555 PolarHBondContact O-N 2.94Å; S553-G555 VanDerWaalsContact O-N 3.16Å; G555-S582 CarbonylContact O-C 3.48Å; G555-S582 VanDerWaalsContact O-CA 3.25Å; G555-S582 WeakPolarHBondContact O-CA 3.37Å; G555-V583 PolarHBondContact O-N 3.29Å |
| 556 | T | 51.5 | Low | 54.3 | Low | 52 Ų | 52 | 95.6 Ų | 95.6 | 32% | 0.319 | 58% | 0.577 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.2 | 117.2 | 177.4 | -33.3 | 0 | 0 | 0 | 0 | 110.7 | V552 S553 S581 | V552-T556 HydrophobicContact CG1-CG2 4.39Å; S553-T556 PolarHBondContact O-N 3.5Å; T556-S581 CarbonylContact C-O 3.59Å; T556-S581 WeakPolarHBondContact CA-O 3.47Å |
| 557 | A | 54.4 | Low | 57.1 | Low | 53 Ų | 53 | 93.5 Ų | 93.5 | 44% | 0.438 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 123.8 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | Y580 S581 | A557-Y580 WeakPolarHBondContact O-CA 3.33Å; A557-S581 WeakPolarHBondContact CB-OG 3.42Å; A557-S581 PolarHBondContact N-O 2.88Å; A557-S581 PolarHBondContact O-N 3.41Å; A557-S581 PolarHBondContact O-OG 3.19Å |
| 558 | K | 64.7 | Low | 59.4 | Low | 74 Ų | 74 | 94.1 Ų | 94.1 | 32% | 0.322 | 55% | 0.55 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 125.5 | 169.3 | -172.9 | -178.1 | 179.9 | -177.5 | 0 | 107.9 | V560 E578 L579 Y580 | K558-V560 HydrophobicContact CD-CG2 4.35Å; K558-V560 HydrophobicContact CG-CG2 4.3Å; K558-E578 WeakPolarHBondContact CE-OE1 3.35Å; K558-E578 IonicContact NZ-OE1 3.71Å; K558-E578 PolarHBondContact NZ-OE1 2.76Å; K558-E578 IonicContact NZ-OE2 3.96Å; K558-L579 CarbonylContact C-O 3.56Å; K558-L579 VanDerWaalsContact CA-O 3.27Å; K558-L579 WeakPolarHBondContact CA-O 3.49Å; K558-Y580 HydrophobicContact CB-CD1 4.41Å; K558-Y580 HydrophobicContact CB-CE1 4.36Å; K558-Y580 HydrophobicContact CD-CE1 3.83Å; K558-Y580 VanDerWaalsContact CE-OH 3.29Å; K558-Y580 WeakPolarHBondContact CE-OH 3.45Å; K558-Y580 HydrophobicContact CG-CD1 4.25Å; K558-Y580 HydrophobicContact CG-CE1 3.89Å; K558-Y580 PolarHBondContact NZ-OH 3.44Å |
| 559 | S | 66.2 | Low | 61.9 | Low | 63 Ų | 63 | 92 Ų | 92 | 44% | 0.441 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 126.4 | 170.5 | 167.3 | 0 | 0 | 0 | 0 | 108.6 | E578 L579 | S559-E578 CarbonylContact O-C 3.51Å; S559-L579 PolarHBondContact N-O 3.36Å; S559-L579 WeakPolarHBondContact O-CB 3.46Å; S559-L579 PolarHBondContact O-N 2.97Å |
| 560 | V | 70.2 | Confident | 64.3 | Low | 68 Ų | 68 | 88.1 Ų | 88.1 | 41% | 0.412 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 127.8 | 177 | -175.9 | 0 | 0 | 0 | 0 | 107.9 | K558 E576 K577 E578 | K558-V560 HydrophobicContact CD-CG2 4.35Å; K558-V560 HydrophobicContact CG-CG2 4.3Å; V560-E576 HydrophobicContact CG1-CG 3.94Å; V560-K577 CarbonylContact C-O 3.44Å; V560-K577 WeakPolarHBondContact CA-O 3.28Å; V560-E578 HydrophobicContact CG1-CG 4.49Å; V560-E578 HydrophobicContact CG2-CG 4.22Å |
| 561 | S | 72.1 | Confident | 66.1 | Low | 53 Ų | 53 | 85.7 Ų | 85.7 | 37% | 0.371 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 124.4 | 176.4 | 171.1 | 0 | 0 | 0 | 0 | 108.6 | K577 | S561-K577 PolarHBondContact N-O 3.29Å; S561-K577 WeakPolarHBondContact O-CA 3.46Å; S561-K577 WeakPolarHBondContact O-CB 3.3Å; S561-K577 PolarHBondContact O-N 3.39Å |
| 562 | T | 81.2 | Confident | 68.4 | Low | 106 Ų | 106 | 85.6 Ų | 85.6 | 65% | 0.65 | 49% | 0.488 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 153.5 | 174.2 | 54 | 0 | 0 | 0 | 0 | 110.4 | F575 E576 | T562-F575 WeakPolarHBondContact CA-O 3.41Å; T562-E576 HydrophobicContact CG2-CB 4.29Å; T562-E576 HydrophobicContact CG2-CG 4.05Å |
| 563 | G | 82.2 | Confident | 70 | Confident | 28 Ų | 28 | 81.9 Ų | 81.9 | 29% | 0.289 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.7 | -178.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | F575 | G563-F575 PolarHBondContact N-O 2.7Å; G563-F575 VanDerWaalsContact O-CD1 3.3Å; G563-F575 WeakPolarHBondContact O-CD1 3.39Å; G563-F575 PolarHBondContact O-N 3.41Å |
| 564 | S | 81.4 | Confident | 72 | Confident | 63 Ų | 63 | 80.3 Ų | 80.3 | 44% | 0.441 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 147 | 174.4 | 59 | 0 | 0 | 0 | 0 | 110.9 | K572 V573 D574 | S564-K572 VanDerWaalsContact CB-CE 3.46Å; S564-K572 VanDerWaalsContact OG-CE 3.27Å; S564-K572 WeakPolarHBondContact OG-CE 3.03Å; S564-V573 CarbonylContact C-O 3.53Å; S564-V573 WeakPolarHBondContact CA-O 3.34Å; S564-D574 WeakPolarHBondContact CB-OD1 3.41Å |
| 565 | F | 84.3 | Confident | 73.8 | Confident | 87 Ų | 87 | 74.4 Ų | 74.4 | 38% | 0.382 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 167.6 | 174.2 | 67.3 | -88.3 | 0 | 0 | 0 | 110.1 | V573 F575 | F565-V573 HydrophobicContact CD1-CB 4.37Å; F565-V573 HydrophobicContact CD2-CB 4.4Å; F565-V573 HydrophobicContact CE1-CB 3.98Å; F565-V573 HydrophobicContact CE1-CG1 3.85Å; F565-V573 HydrophobicContact CE2-CB 4Å; F565-V573 HydrophobicContact CE2-CG1 4.4Å; F565-V573 HydrophobicContact CE2-CG2 4.2Å; F565-V573 HydrophobicContact CZ-CB 3.78Å; F565-V573 HydrophobicContact CZ-CG1 3.7Å; F565-V573 HydrophobicContact CZ-CG2 4.31Å; F565-V573 PolarHBondContact N-O 3.5Å; F565-V573 PolarHBondContact O-N 3.16Å; F565-F575 AromaticContact CD1-CD1 3.79Å; F565-F575 HydrophobicContact CD1-CD1 3.79Å; F565-F575 HydrophobicContact CD1-CE1 4.34Å; F565-F575 HydrophobicContact CE1-CB 4.47Å; F565-F575 HydrophobicContact CE1-CD1 4.22Å |
| 566 | Y | 81.2 | Confident | 75.1 | Confident | 169 Ų | 169 | 75.9 Ų | 75.9 | 66% | 0.663 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 129.7 | 174.2 | -69.4 | -86.8 | 0 | 0 | 0 | 109.6 | G570 N571 K572 | Y566-G570 WeakPolarHBondContact CD1-O 3.39Å; Y566-N571 WeakPolarHBondContact CA-O 3.5Å; Y566-K572 HydrophobicContact CD1-CB 4.31Å; Y566-K572 HydrophobicContact CE1-CB 4Å; Y566-K572 HydrophobicContact CE1-CG 4.48Å |
| 567 | D | 85 | Confident | 75.8 | Confident | 38 Ų | 38 | 76.7 Ų | 76.7 | 20% | 0.203 | 41% | 0.413 | C | S | . | . | trans | -71.6 | 177.8 | 175.4 | 73 | 7 | 0 | 0 | 0 | 112.2 | H569 G570 N571 V573 | D567-H569 PolarHBondContact O-N 3.37Å; D567-H569 VanDerWaalsContact O-N 3.07Å; D567-H569 VanDerWaalsContact OD1-C 3.22Å; D567-H569 VanDerWaalsContact OD1-CA 3.28Å; D567-H569 WeakPolarHBondContact OD1-CA 3.49Å; D567-H569 WeakPolarHBondContact OD1-CB 3.27Å; D567-H569 PolarHBondContact OD1-N 3.36Å; D567-G570 PolarHBondContact O-N 3.11Å; D567-G570 PolarHBondContact OD1-N 3.08Å; D567-N571 PolarHBondContact N-O 3.08Å; D567-N571 PolarHBondContact OD1-N 3.18Å; D567-N571 PolarHBondContact OD1-ND2 3.41Å; D567-N571 WeakPolarHBondContact OD2-CB 3.35Å; D567-N571 PolarHBondContact OD2-ND2 3.46Å; D567-V573 HydrophobicContact CB-CG2 3.87Å | ||
| 568 | E | 82.8 | Confident | 76.6 | Confident | 193 Ų | 193 | 75.8 Ų | 75.8 | 90% | 0.902 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -17.4 | 177.7 | -51.3 | 178.6 | -159.7 | 0 | 0 | 113.2 | ||
| 569 | H | 84.5 | Confident | 76.4 | Confident | 151 Ų | 151 | 75.1 Ų | 75.1 | 70% | 0.699 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.3 | 4.3 | -179.6 | -57.8 | -57.1 | 0 | 0 | 0 | 112.7 | D567 N571 | D567-H569 PolarHBondContact O-N 3.37Å; D567-H569 VanDerWaalsContact O-N 3.07Å; D567-H569 VanDerWaalsContact OD1-C 3.22Å; D567-H569 VanDerWaalsContact OD1-CA 3.28Å; D567-H569 WeakPolarHBondContact OD1-CA 3.49Å; D567-H569 WeakPolarHBondContact OD1-CB 3.27Å; D567-H569 PolarHBondContact OD1-N 3.36Å; H569-N571 VanDerWaalsContact C-N 3.3Å; H569-N571 WeakPolarHBondContact CB-ND2 3.2Å; H569-N571 PolarHBondContact O-N 3.38Å |
| 570 | G | 82.7 | Confident | 75.9 | Confident | 51 Ų | 51 | 74.8 Ų | 74.8 | 53% | 0.526 | 39% | 0.389 | S | S | . | . | S | Bend | trans | 77 | 10.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y566 D567 | Y566-G570 WeakPolarHBondContact CD1-O 3.39Å; D567-G570 PolarHBondContact O-N 3.11Å; D567-G570 PolarHBondContact OD1-N 3.08Å |
| 571 | N | 75.6 | Confident | 75.3 | Confident | 50 Ų | 50 | 74.2 Ų | 74.2 | 27% | 0.267 | 39% | 0.388 | S | S | . | . | trans | -80 | 136.7 | 174.4 | -51.1 | -59.9 | 0 | 0 | 0 | 110 | Y566 D567 H569 V573 | Y566-N571 WeakPolarHBondContact CA-O 3.5Å; D567-N571 PolarHBondContact N-O 3.08Å; D567-N571 PolarHBondContact OD1-N 3.18Å; D567-N571 PolarHBondContact OD1-ND2 3.41Å; D567-N571 WeakPolarHBondContact OD2-CB 3.35Å; D567-N571 PolarHBondContact OD2-ND2 3.46Å; H569-N571 VanDerWaalsContact C-N 3.3Å; H569-N571 WeakPolarHBondContact CB-ND2 3.2Å; H569-N571 PolarHBondContact O-N 3.38Å; N571-V573 PolarHBondContact O-N 3.33Å | ||
| 572 | K | 77.6 | Confident | 74.5 | Confident | 108 Ų | 108 | 74 Ų | 74 | 47% | 0.47 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 117.9 | 173.1 | -169.8 | -172.8 | 177 | -152.4 | 0 | 109.5 | S564 Y566 D574 | S564-K572 VanDerWaalsContact CB-CE 3.46Å; S564-K572 VanDerWaalsContact OG-CE 3.27Å; S564-K572 WeakPolarHBondContact OG-CE 3.03Å; Y566-K572 HydrophobicContact CD1-CB 4.31Å; Y566-K572 HydrophobicContact CE1-CB 4Å; Y566-K572 HydrophobicContact CE1-CG 4.48Å; K572-D574 WeakPolarHBondContact CE-OD1 3.38Å; K572-D574 IonicContact NZ-OD1 2.89Å |
| 573 | V | 73.4 | Confident | 73.1 | Confident | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 118.5 | 175.5 | -174.8 | 0 | 0 | 0 | 0 | 108.6 | S564 F565 D567 N571 E596 T598 | S564-V573 CarbonylContact C-O 3.53Å; S564-V573 WeakPolarHBondContact CA-O 3.34Å; F565-V573 HydrophobicContact CD1-CB 4.37Å; F565-V573 HydrophobicContact CD2-CB 4.4Å; F565-V573 HydrophobicContact CE1-CB 3.98Å; F565-V573 HydrophobicContact CE1-CG1 3.85Å; F565-V573 HydrophobicContact CE2-CB 4Å; F565-V573 HydrophobicContact CE2-CG1 4.4Å; F565-V573 HydrophobicContact CE2-CG2 4.2Å; F565-V573 HydrophobicContact CZ-CB 3.78Å; F565-V573 HydrophobicContact CZ-CG1 3.7Å; F565-V573 HydrophobicContact CZ-CG2 4.31Å; F565-V573 PolarHBondContact N-O 3.5Å; F565-V573 PolarHBondContact O-N 3.16Å; D567-V573 HydrophobicContact CB-CG2 3.87Å; N571-V573 PolarHBondContact O-N 3.33Å; V573-E596 HydrophobicContact CG1-CG 3.93Å; V573-T598 HydrophobicContact CG2-CG2 4Å |
| 574 | D | 76.7 | Confident | 71.5 | Confident | 61 Ų | 61 | 77.2 Ų | 77.2 | 33% | 0.326 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 137 | 171.9 | -60.1 | -41.7 | 0 | 0 | 0 | 108.5 | S564 K572 E597 | S564-D574 WeakPolarHBondContact CB-OD1 3.41Å; K572-D574 WeakPolarHBondContact CE-OD1 3.38Å; K572-D574 IonicContact NZ-OD1 2.89Å; D574-E597 PolarHBondContact O-N 3.47Å |
| 575 | F | 75 | Confident | 70 | Confident | 59 Ų | 59 | 80.6 Ų | 80.6 | 26% | 0.259 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 146.3 | 177.7 | 74.5 | -92.5 | 0 | 0 | 0 | 112.2 | T562 G563 F565 K577 | T562-F575 WeakPolarHBondContact CA-O 3.41Å; G563-F575 PolarHBondContact N-O 2.7Å; G563-F575 VanDerWaalsContact O-CD1 3.3Å; G563-F575 WeakPolarHBondContact O-CD1 3.39Å; G563-F575 PolarHBondContact O-N 3.41Å; F565-F575 AromaticContact CD1-CD1 3.79Å; F565-F575 HydrophobicContact CD1-CD1 3.79Å; F565-F575 HydrophobicContact CD1-CE1 4.34Å; F565-F575 HydrophobicContact CE1-CB 4.47Å; F565-F575 HydrophobicContact CE1-CD1 4.22Å; F575-K577 HydrophobicContact CD2-CB 4.43Å |
| 576 | E | 74.5 | Confident | 68.3 | Low | 67 Ų | 67 | 79.7 Ų | 79.7 | 31% | 0.313 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 126.2 | 171.2 | -177.1 | 176 | -168.5 | 0 | 0 | 109.1 | V560 T562 K595 | V560-E576 HydrophobicContact CG1-CG 3.94Å; T562-E576 HydrophobicContact CG2-CB 4.29Å; T562-E576 HydrophobicContact CG2-CG 4.05Å; E576-K595 PolarHBondContact N-O 2.95Å; E576-K595 PolarHBondContact O-N 3.33Å |
| 577 | K | 66 | Low | 66.8 | Low | 68 Ų | 68 | 77.2 Ų | 77.2 | 30% | 0.296 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 114.5 | -175.9 | 177.9 | -179.4 | -178.8 | 159.7 | 0 | 109.1 | V560 S561 F575 H592 | V560-K577 CarbonylContact C-O 3.44Å; V560-K577 WeakPolarHBondContact CA-O 3.28Å; S561-K577 PolarHBondContact N-O 3.29Å; S561-K577 WeakPolarHBondContact O-CA 3.46Å; S561-K577 WeakPolarHBondContact O-CB 3.3Å; S561-K577 PolarHBondContact O-N 3.39Å; F575-K577 HydrophobicContact CD2-CB 4.43Å; K577-H592 WeakPolarHBondContact CE-CE1 3.44Å; K577-H592 WeakPolarHBondContact CE-NE2 3.37Å; K577-H592 PolarHBondContact NZ-NE2 3.01Å |
| 578 | E | 72.1 | Confident | 64.5 | Low | 34 Ų | 34 | 81.5 Ų | 81.5 | 16% | 0.159 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 123.5 | 174.5 | -54.6 | -170.1 | 134.9 | 0 | 0 | 110.2 | K558 S559 V560 Y580 M593 | K558-E578 WeakPolarHBondContact CE-OE1 3.35Å; K558-E578 IonicContact NZ-OE1 3.71Å; K558-E578 PolarHBondContact NZ-OE1 2.76Å; K558-E578 IonicContact NZ-OE2 3.96Å; S559-E578 CarbonylContact O-C 3.51Å; V560-E578 HydrophobicContact CG1-CG 4.49Å; V560-E578 HydrophobicContact CG2-CG 4.22Å; E578-Y580 HydrophobicContact CB-CD2 4.43Å; E578-Y580 HydrophobicContact CB-CE2 3.8Å; E578-Y580 PolarHBondContact OE2-OH 3.17Å; E578-M593 HydrophobicContact CB-CB 4.35Å; E578-M593 PolarHBondContact N-O 3.13Å; E578-M593 PolarHBondContact O-N 3.46Å; E578-M593 VanDerWaalsContact O-N 3.14Å; E578-M593 WeakPolarHBondContact OE2-CE 3.43Å |
| 579 | L | 59 | Low | 62.5 | Low | 60 Ų | 60 | 78.9 Ų | 78.9 | 31% | 0.314 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 120.3 | 176.1 | -72.4 | 163.4 | 0 | 0 | 0 | 108.4 | K558 S559 | K558-L579 CarbonylContact C-O 3.56Å; K558-L579 VanDerWaalsContact CA-O 3.27Å; K558-L579 WeakPolarHBondContact CA-O 3.49Å; S559-L579 PolarHBondContact N-O 3.36Å; S559-L579 WeakPolarHBondContact O-CB 3.46Å; S559-L579 PolarHBondContact O-N 2.97Å |
| 580 | Y | 57.3 | Low | 60.5 | Low | 57 Ų | 57 | 74 Ų | 74 | 22% | 0.224 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 120.3 | 169.9 | -65.4 | -96.1 | 0 | 0 | 0 | 108.8 | A557 K558 E578 L591 M593 | A557-Y580 WeakPolarHBondContact O-CA 3.33Å; K558-Y580 HydrophobicContact CB-CD1 4.41Å; K558-Y580 HydrophobicContact CB-CE1 4.36Å; K558-Y580 HydrophobicContact CD-CE1 3.83Å; K558-Y580 VanDerWaalsContact CE-OH 3.29Å; K558-Y580 WeakPolarHBondContact CE-OH 3.45Å; K558-Y580 HydrophobicContact CG-CD1 4.25Å; K558-Y580 HydrophobicContact CG-CE1 3.89Å; K558-Y580 PolarHBondContact NZ-OH 3.44Å; E578-Y580 HydrophobicContact CB-CD2 4.43Å; E578-Y580 HydrophobicContact CB-CE2 3.8Å; E578-Y580 PolarHBondContact OE2-OH 3.17Å; Y580-L591 HydrophobicContact CD2-CD2 4.37Å; Y580-L591 PolarHBondContact N-O 3.14Å; Y580-M593 HydrophobicContact CE2-CE 4.34Å |
| 581 | S | 56.7 | Low | 58.5 | Low | 56 Ų | 56 | 75.3 Ų | 75.3 | 39% | 0.392 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 116.5 | 172 | 55.9 | 0 | 0 | 0 | 0 | 109.1 | T556 A557 | T556-S581 CarbonylContact C-O 3.59Å; T556-S581 WeakPolarHBondContact CA-O 3.47Å; A557-S581 WeakPolarHBondContact CB-OG 3.42Å; A557-S581 PolarHBondContact N-O 2.88Å; A557-S581 PolarHBondContact O-N 3.41Å; A557-S581 PolarHBondContact O-OG 3.19Å |
| 582 | S | 56.3 | Low | 57 | Low | 49 Ų | 49 | 74.3 Ų | 74.3 | 34% | 0.343 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 134.6 | 169.4 | 70.1 | 0 | 0 | 0 | 0 | 111.2 | G555 D584 | G555-S582 CarbonylContact O-C 3.48Å; G555-S582 VanDerWaalsContact O-CA 3.25Å; G555-S582 WeakPolarHBondContact O-CA 3.37Å; S582-D584 VanDerWaalsContact C-N 3.27Å; S582-D584 PolarHBondContact O-N 3.12Å; S582-D584 VanDerWaalsContact O-N 3.14Å |
| 583 | V | 50.1 | Low | 55.4 | Low | 121 Ų | 121 | 72 Ų | 72 | 73% | 0.733 | 39% | 0.389 | S | S | * | . | trans | -84.3 | 71.8 | 170.6 | -171.1 | 0 | 0 | 0 | 0 | 107.6 | G555 | G555-V583 PolarHBondContact O-N 3.29Š| ||
| 584 | D | 49.7 | Very low | 53.9 | Low | 80 Ų | 80 | 75.9 Ų | 75.9 | 43% | 0.428 | 41% | 0.407 | S | S | . | . | trans | -118.9 | 105.1 | 168 | -166.1 | 3.6 | 0 | 0 | 0 | 108.2 | S582 G586 K587 | S582-D584 VanDerWaalsContact C-N 3.27Å; S582-D584 PolarHBondContact O-N 3.12Å; S582-D584 VanDerWaalsContact O-N 3.14Å; D584-G586 PolarHBondContact O-N 3.01Å; D584-K587 HydrophobicContact CB-CB 4.47Å; D584-K587 PolarHBondContact O-N 3.36Å | ||
| 585 | P | 49.2 | Very low | 52.4 | Low | 134 Ų | 134 | 76.4 Ų | 76.4 | 87% | 0.87 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | 8.3 | -169.7 | 24.8 | -32.8 | 0 | 0 | 0 | 115.5 | ||
| 586 | G | 49.7 | Very low | 50.9 | Low | 67 Ų | 67 | 75.9 Ų | 75.9 | 69% | 0.691 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.5 | 2.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115 | D584 | D584-G586 PolarHBondContact O-N 3.01Š|
| 587 | K | 48.5 | Very low | 49.7 | Very low | 118 Ų | 118 | 75.7 Ų | 75.7 | 51% | 0.513 | 40% | 0.404 | S | S | . | . | trans | -150.3 | 73.5 | -174 | -72.5 | -175.4 | -178.1 | 177.6 | 0 | 110.9 | D584 Y589 | D584-K587 HydrophobicContact CB-CB 4.47Å; D584-K587 PolarHBondContact O-N 3.36Å; K587-Y589 HydrophobicContact CB-CD2 4.12Å; K587-Y589 HydrophobicContact CB-CE2 3.7Å; K587-Y589 HydrophobicContact CD-CE2 4.1Å; K587-Y589 HydrophobicContact CG-CE2 4.07Å; K587-Y589 PolarHBondContact O-N 3.44Å | ||
| 588 | E | 38.1 | Very low | 48.6 | Very low | 127 Ų | 127 | 73.8 Ų | 73.8 | 59% | 0.593 | 40% | 0.398 | S | S | * | . | trans | -73.4 | 99.9 | 170.1 | -69 | -172.2 | 176.5 | 0 | 0 | 110 | ||||
| 589 | Y | 39.7 | Very low | 47.3 | Very low | 138 Ų | 138 | 77.1 Ų | 77.1 | 54% | 0.541 | 41% | 0.412 | S | S | . | . | trans | -114.6 | 113.2 | 162.2 | -53.8 | -71.5 | 0 | 0 | 0 | 108 | K587 | K587-Y589 HydrophobicContact CB-CD2 4.12Å; K587-Y589 HydrophobicContact CB-CE2 3.7Å; K587-Y589 HydrophobicContact CD-CE2 4.1Å; K587-Y589 HydrophobicContact CG-CE2 4.07Å; K587-Y589 PolarHBondContact O-N 3.44Å | ||
| 590 | S | 42.3 | Very low | 46.5 | Very low | 48 Ų | 48 | 78.3 Ų | 78.3 | 34% | 0.336 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 110.1 | 159.8 | -64.4 | 0 | 0 | 0 | 0 | 108.2 | H592 | S590-H592 PolarHBondContact O-N 3.05Å |
| 591 | L | 40.4 | Very low | 45.8 | Very low | 79 Ų | 79 | 83.1 Ų | 83.1 | 41% | 0.414 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 116.7 | 167.9 | -164.8 | 84.3 | 0 | 0 | 0 | 107.2 | Y580 M593 | Y580-L591 HydrophobicContact CD2-CD2 4.37Å; Y580-L591 PolarHBondContact N-O 3.14Å; L591-M593 HydrophobicContact CD2-CG 3.94Å; L591-M593 HydrophobicContact CD2-SD 4.22Å; L591-M593 HydrophobicContact CG-CG 4.35Å |
| 592 | H | 45.3 | Very low | 45.6 | Very low | 30 Ų | 30 | 86.4 Ų | 86.4 | 14% | 0.139 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 125.8 | 169 | -133.9 | 68.4 | 0 | 0 | 0 | 107.9 | K577 S590 | K577-H592 WeakPolarHBondContact CE-CE1 3.44Å; K577-H592 WeakPolarHBondContact CE-NE2 3.37Å; K577-H592 PolarHBondContact NZ-NE2 3.01Å; S590-H592 PolarHBondContact O-N 3.05Å |
| 593 | M | 42.6 | Very low | 45 | Very low | 60 Ų | 60 | 90 Ų | 90 | 30% | 0.296 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 123.7 | 164.5 | -59.1 | -141.6 | -55.5 | 0 | 0 | 108.3 | E578 Y580 L591 | E578-M593 HydrophobicContact CB-CB 4.35Å; E578-M593 PolarHBondContact N-O 3.13Å; E578-M593 PolarHBondContact O-N 3.46Å; E578-M593 VanDerWaalsContact O-N 3.14Å; E578-M593 WeakPolarHBondContact OE2-CE 3.43Å; Y580-M593 HydrophobicContact CE2-CE 4.34Å; L591-M593 HydrophobicContact CD2-CG 3.94Å; L591-M593 HydrophobicContact CD2-SD 4.22Å; L591-M593 HydrophobicContact CG-CG 4.35Å |
| 594 | E | 42.3 | Very low | 44.8 | Very low | 81 Ų | 81 | 87.9 Ų | 87.9 | 38% | 0.379 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 105.5 | 177.7 | -178.7 | 171.4 | -159.9 | 0 | 0 | 107.5 | Y618 | E594-Y618 HydrophobicContact CB-CD2 4.37Å |
| 595 | K | 45.7 | Very low | 44.8 | Very low | 72 Ų | 72 | 91.5 Ų | 91.5 | 31% | 0.313 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 109.8 | 176.7 | -172.9 | -174.2 | 171.6 | -154.1 | 0 | 108 | E576 E597 Q615 | E576-K595 PolarHBondContact N-O 2.95Å; E576-K595 PolarHBondContact O-N 3.33Å; K595-E597 WeakPolarHBondContact CE-OE1 3.4Å; K595-E597 IonicContact NZ-OE1 2.77Å; K595-E597 PolarHBondContact NZ-OE1 3.28Å; K595-Q615 HydrophobicContact CG-CG 4.41Å |
| 596 | E | 44.7 | Very low | 44.4 | Very low | 47 Ų | 47 | 92 Ų | 92 | 22% | 0.22 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 126.6 | 172.2 | -165 | -179.6 | 168.8 | 0 | 0 | 108.8 | V573 V614 | V573-E596 HydrophobicContact CG1-CG 3.93Å; E596-V614 CarbonylContact O-C 3.58Å |
| 597 | E | 47.7 | Very low | 44.4 | Very low | 63 Ų | 63 | 92.4 Ų | 92.4 | 29% | 0.294 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 96.2 | 168.7 | -72.4 | -163.6 | 176.1 | 0 | 0 | 109.5 | D574 K595 K599 T613 | D574-E597 PolarHBondContact O-N 3.47Å; K595-E597 WeakPolarHBondContact CE-OE1 3.4Å; K595-E597 IonicContact NZ-OE1 2.77Å; K595-E597 PolarHBondContact NZ-OE1 3.28Å; E597-K599 PolarHBondContact O-N 2.97Å; E597-T613 HydrophobicContact CG-CG2 4.15Å |
| 598 | T | 42.7 | Very low | 43.6 | Very low | 29 Ų | 29 | 93.1 Ų | 93.1 | 18% | 0.178 | 48% | 0.484 | C | S | . | . | trans | -81.9 | 108.3 | 173.4 | -18.2 | 0 | 0 | 0 | 0 | 109.3 | V573 F600 | V573-T598 HydrophobicContact CG2-CG2 4Å; T598-F600 PolarHBondContact O-N 3.46Å | ||
| 599 | K | 45.1 | Very low | 43.9 | Very low | 103 Ų | 103 | 93.6 Ų | 93.6 | 45% | 0.448 | 49% | 0.49 | S | S | . | . | trans | -86.5 | 104 | 170 | -76 | 175.2 | -169.9 | 155.7 | 0 | 108.8 | E597 | E597-K599 PolarHBondContact O-N 2.97Š| ||
| 600 | F | 42.6 | Very low | 44 | Very low | 85 Ų | 85 | 90.5 Ų | 90.5 | 37% | 0.373 | 49% | 0.489 | S | S | . | . | trans | -96.1 | 109.3 | 175.3 | -157.3 | -92.7 | 0 | 0 | 0 | 109.4 | T598 K602 | T598-F600 PolarHBondContact O-N 3.46Å; F600-K602 HydrophobicContact CD1-CB 3.85Å; F600-K602 HydrophobicContact CD1-CD 4.44Å; F600-K602 HydrophobicContact CD1-CG 4.27Å; F600-K602 HydrophobicContact CE1-CB 3.66Å; F600-K602 HydrophobicContact CE1-CD 3.58Å; F600-K602 HydrophobicContact CE1-CG 3.55Å; F600-K602 HydrophobicContact CZ-CD 4.44Å; F600-K602 HydrophobicContact CZ-CG 4.48Å; F600-K602 PolarHBondContact O-N 3.4Å | ||
| 601 | E | 43.6 | Very low | 44.3 | Very low | 159 Ų | 159 | 97 Ų | 97 | 74% | 0.743 | 51% | 0.506 | S | S | * | . | trans | -97.4 | 83.9 | 176.3 | -163.5 | 168.4 | -153.2 | 0 | 0 | 108.1 | L609 | E601-L609 HydrophobicContact CG-CD2 3.96Å; E601-L609 WeakPolarHBondContact OE1-CD2 3.44Å | ||
| 602 | K | 51.3 | Low | 44.6 | Very low | 125 Ų | 125 | 100 Ų | 100 | 54% | 0.543 | 52% | 0.516 | S | S | . | . | trans | -91 | 125.8 | 169.7 | -132.3 | 176.6 | -151.9 | 173.9 | 0 | 108.1 | F600 V604 | F600-K602 HydrophobicContact CD1-CB 3.85Å; F600-K602 HydrophobicContact CD1-CD 4.44Å; F600-K602 HydrophobicContact CD1-CG 4.27Å; F600-K602 HydrophobicContact CE1-CB 3.66Å; F600-K602 HydrophobicContact CE1-CD 3.58Å; F600-K602 HydrophobicContact CE1-CG 3.55Å; F600-K602 HydrophobicContact CZ-CD 4.44Å; F600-K602 HydrophobicContact CZ-CG 4.48Å; F600-K602 PolarHBondContact O-N 3.4Å; K602-V604 HydrophobicContact CB-CG2 4.47Å; K602-V604 PolarHBondContact O-N 2.92Å | ||
| 603 | P | 44.7 | Very low | 44.5 | Very low | 124 Ų | 124 | 102.3 Ų | 102.3 | 81% | 0.805 | 53% | 0.532 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 98.8 | 170.3 | 26.8 | -29.6 | 0 | 0 | 0 | 108 | ||
| 604 | V | 45 | Very low | 44.8 | Very low | 76 Ų | 76 | 101.7 Ų | 101.7 | 46% | 0.461 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 94.9 | 165.7 | 178.7 | 0 | 0 | 0 | 0 | 104.8 | K602 | K602-V604 HydrophobicContact CB-CG2 4.47Å; K602-V604 PolarHBondContact O-N 2.92Å |
| 605 | E | 49.4 | Very low | 45.1 | Very low | 156 Ų | 156 | 102.6 Ų | 102.6 | 73% | 0.729 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62 | 157.8 | -179.6 | -64.1 | -165.4 | 156.9 | 0 | 0 | 116.5 | G607 | E605-G607 PolarHBondContact O-N 3.45Š|
| 606 | P | 41.7 | Very low | 45.1 | Very low | 145 Ų | 145 | 105.1 Ų | 105.1 | 94% | 0.942 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | 99.9 | 177.8 | -11 | 26.1 | 0 | 0 | 0 | 109.9 | ||
| 607 | G | 48.6 | Very low | 44.8 | Very low | 75 Ų | 75 | 110.9 Ų | 110.9 | 77% | 0.773 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 120.2 | -0.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | E605 | E605-G607 PolarHBondContact O-N 3.45Š|
| 608 | M | 32.9 | Very low | 44.6 | Very low | 133 Ų | 133 | 113.2 Ų | 113.2 | 66% | 0.655 | 57% | 0.571 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -115.2 | 100.9 | 177.8 | -77.9 | -175.6 | 58.6 | 0 | 0 | 113 | S610 | M608-S610 PolarHBondContact O-N 3.27Å |
| 609 | L | 43.3 | Very low | 44.6 | Very low | 137 Ų | 137 | 119.4 Ų | 119.4 | 72% | 0.717 | 60% | 0.596 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -76.2 | 106.1 | 169.4 | -83 | 135.4 | 0 | 0 | 0 | 110.4 | E601 | E601-L609 HydrophobicContact CG-CD2 3.96Å; E601-L609 WeakPolarHBondContact OE1-CD2 3.44Å |
| 610 | S | 43.3 | Very low | 44.7 | Very low | 73 Ų | 73 | 120.1 Ų | 120.1 | 51% | 0.51 | 60% | 0.599 | S | S | . | * | trans | -78.4 | 119.5 | 168.9 | -173.3 | 0 | 0 | 0 | 0 | 109.9 | M608 | M608-S610 PolarHBondContact O-N 3.27Š| ||
| 611 | R | 47.1 | Very low | 44.4 | Very low | 185 Ų | 185 | 120.6 Ų | 120.6 | 70% | 0.698 | 61% | 0.609 | S | S | * | * | trans | -110.5 | 119.3 | 178.4 | -144.8 | -176.5 | -162.5 | -149.4 | 7.2 | 109.3 | ||||
| 612 | K | 46.3 | Very low | 44.2 | Very low | 142 Ų | 142 | 118.7 Ų | 118.7 | 62% | 0.617 | 60% | 0.595 | S | S | * | * | trans | -117.5 | 105.2 | 179.4 | -172.7 | 174.4 | -179.1 | 177.9 | 0 | 111.4 | V614 | K612-V614 HydrophobicContact CG-CG2 4.3Š| ||
| 613 | T | 44.8 | Very low | 43.5 | Very low | 79 Ų | 79 | 119.3 Ų | 119.3 | 49% | 0.485 | 61% | 0.61 | S | S | . | * | trans | -90.1 | 127 | 175.6 | -52.4 | 0 | 0 | 0 | 0 | 110.5 | E597 Q615 | E597-T613 HydrophobicContact CG-CG2 4.15Å; T613-Q615 HydrophobicContact CG2-CG 4.45Å | ||
| 614 | V | 47.7 | Very low | 42.9 | Very low | 46 Ų | 46 | 116.9 Ų | 116.9 | 28% | 0.279 | 60% | 0.596 | S | S | . | * | trans | -119.4 | 97.9 | 179.2 | -178.8 | 0 | 0 | 0 | 0 | 110.7 | E596 K612 R616 | E596-V614 CarbonylContact O-C 3.58Å; K612-V614 HydrophobicContact CG-CG2 4.3Å; V614-R616 HydrophobicContact CG1-CG 4.29Å | ||
| 615 | Q | 48.4 | Very low | 42.3 | Very low | 100 Ų | 100 | 119.7 Ų | 119.7 | 47% | 0.467 | 61% | 0.613 | S | S | . | * | trans | -85.8 | 128.9 | 175.1 | -67.4 | 177.3 | -8.5 | 0 | 0 | 111.2 | K595 T613 Y617 | K595-Q615 HydrophobicContact CG-CG 4.41Å; T613-Q615 HydrophobicContact CG2-CG 4.45Å; Q615-Y617 HydrophobicContact CB-CE2 4.25Å; Q615-Y617 PolarHBondContact OE1-OH 3.35Å | ||
| 616 | R | 47 | Very low | 41.6 | Very low | 126 Ų | 126 | 117.4 Ų | 117.4 | 48% | 0.475 | 61% | 0.61 | S | S | . | * | trans | -119.3 | 149.5 | 173.7 | -61.6 | -171.8 | 178.3 | -177.9 | 2.2 | 109.9 | V614 Y618 | V614-R616 HydrophobicContact CG1-CG 4.29Å; R616-Y618 HydrophobicContact CB-CD2 4.5Å; R616-Y618 HydrophobicContact CB-CE2 3.71Å; R616-Y618 VanDerWaalsContact CD-OH 3.25Å; R616-Y618 WeakPolarHBondContact CD-OH 3.41Å | ||
| 617 | Y | 38.9 | Very low | 41.1 | Very low | 168 Ų | 168 | 115.9 Ų | 115.9 | 66% | 0.659 | 60% | 0.599 | S | S | * | * | trans | -126.6 | 123.3 | -177 | -60 | -90.1 | 0 | 0 | 0 | 109.2 | Q615 | Q615-Y617 HydrophobicContact CB-CE2 4.25Å; Q615-Y617 PolarHBondContact OE1-OH 3.35Å | ||
| 618 | Y | 42.7 | Very low | 40.2 | Very low | 111 Ų | 111 | 117.9 Ų | 117.9 | 44% | 0.435 | 60% | 0.596 | S | S | . | * | trans | -127.4 | 111.6 | -178.4 | -60.7 | -73.9 | 0 | 0 | 0 | 111.9 | E594 R616 K620 | E594-Y618 HydrophobicContact CB-CD2 4.37Å; R616-Y618 HydrophobicContact CB-CD2 4.5Å; R616-Y618 HydrophobicContact CB-CE2 3.71Å; R616-Y618 VanDerWaalsContact CD-OH 3.25Å; R616-Y618 WeakPolarHBondContact CD-OH 3.41Å; Y618-K620 PolarHBondContact O-N 3.41Å | ||
| 619 | K | 42.8 | Very low | 40.1 | Very low | 160 Ų | 160 | 120.4 Ų | 120.4 | 70% | 0.696 | 60% | 0.603 | S | S | * | * | trans | -84.6 | 111.1 | 170 | -174.3 | 179.5 | -178.5 | 178.3 | 0 | 109.5 | ||||
| 620 | K | 46.3 | Very low | 39.5 | Very low | 118 Ų | 118 | 118.5 Ų | 118.5 | 51% | 0.513 | 60% | 0.601 | S | S | . | * | trans | -118.3 | 110.3 | 175.7 | -159.6 | 165.6 | -179.6 | -174.4 | 0 | 110.5 | Y618 Y622 | Y618-K620 PolarHBondContact O-N 3.41Å; K620-Y622 HydrophobicContact CB-CE2 4.26Å; K620-Y622 HydrophobicContact CD-CE2 4.22Å; K620-Y622 WeakPolarHBondContact CD-OH 3.44Å; K620-Y622 WeakPolarHBondContact CE-OH 3.33Å; K620-Y622 HydrophobicContact CG-CE2 4.03Å | ||
| 621 | T | 37.5 | Very low | 39 | Very low | 94 Ų | 94 | 122.8 Ų | 122.8 | 58% | 0.577 | 62% | 0.618 | S | S | * | * | trans | -84.7 | 118.8 | 178.1 | -20.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 622 | Y | 39.6 | Very low | 38.6 | Very low | 119 Ų | 119 | 120 Ų | 120 | 47% | 0.467 | 62% | 0.622 | S | S | . | * | trans | -101.6 | 130.3 | 169.6 | -66.3 | -85.9 | 0 | 0 | 0 | 108.6 | K620 | K620-Y622 HydrophobicContact CB-CE2 4.26Å; K620-Y622 HydrophobicContact CD-CE2 4.22Å; K620-Y622 WeakPolarHBondContact CD-OH 3.44Å; K620-Y622 WeakPolarHBondContact CE-OH 3.33Å; K620-Y622 HydrophobicContact CG-CE2 4.03Å | ||
| 623 | T | 36.8 | Very low | 38 | Very low | 139 Ų | 139 | 118 Ų | 118 | 85% | 0.853 | 63% | 0.632 | S | S | * | * | trans | -94.3 | 97.9 | 165.4 | -13.3 | 0 | 0 | 0 | 0 | 106.1 | T625 | T623-T625 PolarHBondContact O-N 3.25Š| ||
| 624 | S | 31.5 | Very low | 37.6 | Very low | 72 Ų | 72 | 117.9 Ų | 117.9 | 50% | 0.503 | 64% | 0.639 | S | S | . | * | trans | -88.6 | 105.4 | 178.2 | -169.7 | 0 | 0 | 0 | 0 | 109.4 | T626 | S624-T626 PolarHBondContact O-N 3.31Å; S624-T626 PolarHBondContact OG-OG1 3.41Å; S624-T626 VanDerWaalsContact OG-OG1 3.07Å | ||
| 625 | T | 32.7 | Very low | 37.2 | Very low | 135 Ų | 135 | 121.3 Ų | 121.3 | 83% | 0.828 | 66% | 0.662 | S | S | * | * | trans | -87.8 | 82.4 | 163.9 | 24 | 0 | 0 | 0 | 0 | 108.1 | T623 | T623-T625 PolarHBondContact O-N 3.25Š| ||
| 626 | T | 33.8 | Very low | 36.7 | Very low | 109 Ų | 109 | 124.5 Ų | 124.5 | 67% | 0.669 | 68% | 0.681 | S | S | * | * | trans | -93.6 | 94.2 | 167.6 | -54.7 | 0 | 0 | 0 | 0 | 108.5 | S624 T628 | S624-T626 PolarHBondContact O-N 3.31Å; S624-T626 PolarHBondContact OG-OG1 3.41Å; S624-T626 VanDerWaalsContact OG-OG1 3.07Å; T626-T628 PolarHBondContact O-N 3.11Å | ||
| 627 | T | 30.5 | Very low | 36.3 | Very low | 113 Ų | 113 | 124.8 Ų | 124.8 | 69% | 0.693 | 70% | 0.697 | S | S | * | * | trans | -79.8 | 96.4 | 169.2 | -56.7 | 0 | 0 | 0 | 0 | 109.1 | K629 | T627-K629 HydrophobicContact CG2-CG 4.14Å; T627-K629 PolarHBondContact O-N 3.48Å | ||
| 628 | T | 30.2 | Very low | 36.3 | Very low | 116 Ų | 116 | 123 Ų | 123 | 71% | 0.712 | 70% | 0.704 | S | S | * | * | trans | -78.1 | 100.9 | 165.7 | -56.1 | 0 | 0 | 0 | 0 | 108.6 | T626 S630 | T626-T628 PolarHBondContact O-N 3.11Å; T628-S630 PolarHBondContact O-N 3.48Å | ||
| 629 | K | 30.7 | Very low | 36.1 | Very low | 186 Ų | 186 | 123.1 Ų | 123.1 | 81% | 0.809 | 72% | 0.721 | S | S | * | * | trans | -77.9 | 97.7 | 164 | -71.5 | -175.8 | 178.7 | 178.7 | 0 | 108.4 | T627 N631 | T627-K629 HydrophobicContact CG2-CG 4.14Å; T627-K629 PolarHBondContact O-N 3.48Å; K629-N631 PolarHBondContact O-N 2.9Å | ||
| 630 | S | 30.3 | Very low | 35.9 | Very low | 98 Ų | 98 | 120.1 Ų | 120.1 | 69% | 0.685 | 73% | 0.726 | S | S | * | * | trans | -87.5 | 94.1 | 164.1 | 56.6 | 0 | 0 | 0 | 0 | 109.7 | T628 V632 | T628-S630 PolarHBondContact O-N 3.48Å; S630-V632 VanDerWaalsContact C-N 3.32Å; S630-V632 PolarHBondContact O-N 3.38Å; S630-V632 VanDerWaalsContact O-N 3.15Å | ||
| 631 | N | 32.7 | Very low | 35.5 | Very low | 162 Ų | 162 | 123.2 Ų | 123.2 | 87% | 0.866 | 74% | 0.742 | S | S | * | * | trans | -77.8 | 88.5 | 159.8 | -91.8 | -14.8 | 0 | 0 | 0 | 107.9 | K629 | K629-N631 PolarHBondContact O-N 2.9Š| ||
| 632 | V | 40 | Very low | 35.5 | Very low | 128 Ų | 128 | 126.7 Ų | 126.7 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | trans | -120.8 | 83.4 | 158 | -176 | 0 | 0 | 0 | 0 | 106.5 | S630 A634 | S630-V632 VanDerWaalsContact C-N 3.32Å; S630-V632 PolarHBondContact O-N 3.38Å; S630-V632 VanDerWaalsContact O-N 3.15Å; V632-A634 PolarHBondContact O-N 3.48Å | ||
| 633 | A | 33.9 | Very low | 35.7 | Very low | 99 Ų | 99 | 125.8 Ų | 125.8 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | -68.7 | 107.8 | 162.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 634 | A | 35 | Very low | 35.7 | Very low | 77 Ų | 77 | 124.3 Ų | 124.3 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | trans | -66.5 | 135.9 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | V632 L636 | V632-A634 PolarHBondContact O-N 3.48Å; A634-L636 PolarHBondContact O-N 3.08Å; A634-L636 VanDerWaalsContact O-N 3.12Å | ||
| 635 | P | 40.6 | Very low | 36.1 | Very low | 118 Ų | 118 | 126.2 Ų | 126.2 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | trans | -73.5 | 103.9 | 168.1 | 28.8 | -29.6 | 0 | 0 | 0 | 108.8 | T637 | P635-T637 PolarHBondContact O-N 3.39Š| ||
| 636 | L | 38.2 | Very low | 36.5 | Very low | 166 Ų | 166 | 125.5 Ų | 125.5 | 87% | 0.869 | 77% | 0.767 | S | S | * | * | trans | -72.4 | 98.8 | 159.7 | -76.2 | 163 | 0 | 0 | 0 | 107.3 | A634 | A634-L636 PolarHBondContact O-N 3.08Å; A634-L636 VanDerWaalsContact O-N 3.12Å | ||
| 637 | T | 38.6 | Very low | 36.8 | Very low | 132 Ų | 132 | 131.1 Ų | 131.1 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | trans | -106.5 | 105.3 | 161.9 | 41.6 | 0 | 0 | 0 | 0 | 108.6 | P635 | P635-T637 PolarHBondContact O-N 3.39Š| ||
| 638 | T | 38.7 | Very low | 37.2 | Very low | 132 Ų | 132 | 131.9 Ų | 131.9 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | trans | -69.4 | 141.5 | 176.5 | -49.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 639 | S | 36.9 | Very low | 37.6 | Very low | 113 Ų | 113 | 137.4 Ų | 137.4 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | trans | -62 | 136.5 | 178.8 | 58.2 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 640 | A | 39.8 | Very low | 38 | Very low | 97 Ų | 97 | 134.2 Ų | 134.2 | 80% | 0.802 | 79% | 0.786 | S | S | * | * | trans | -165.4 | 95.6 | 146.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 641 | Q | 38.4 | Very low | 38.6 | Very low | 182 Ų | 182 | 134.7 Ų | 134.7 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | 75.8 | 87.8 | 92.2 | -163.4 | 163 | 1.5 | 0 | 0 | 115.5 | |||||
| 642 | M | 36.9 | Very low | 39 | Very low | 168 Ų | 168 | 135.5 Ų | 135.5 | 83% | 0.828 | 78% | 0.783 | S | S | * | * | trans | 59.5 | 164.9 | 133.6 | -60.7 | -60.4 | -104.1 | 0 | 0 | 121.6 | ||||
| 643 | P | 42.4 | Very low | 38.9 | Very low | 99 Ų | 99 | 137.7 Ų | 137.7 | 64% | 0.643 | 79% | 0.788 | S | S | * | * | cis | -142.8 | 175.9 | -36.4 | 37.5 | -19.1 | 0 | 0 | 0 | 116.2 | ||||
| 644 | S | 38.6 | Very low | 39.6 | Very low | 109 Ų | 109 | 138.3 Ų | 138.3 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | trans | 84.3 | 121.5 | 142.1 | 76.5 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 645 | S | 39 | Very low | 40.2 | Very low | 111 Ų | 111 | 143 Ų | 143 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | trans | 156.4 | 99.9 | 131 | 52.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 646 | V | 41.7 | Very low | 40.2 | Very low | 121 Ų | 121 | 144.9 Ų | 144.9 | 73% | 0.733 | 79% | 0.792 | S | S | * | * | 63.1 | 109.8 | 92.9 | -177.1 | 0 | 0 | 0 | 0 | 114 | |||||
| 647 | Y | 40.5 | Very low | 40.3 | Very low | 227 Ų | 227 | 140.4 Ų | 140.4 | 89% | 0.89 | 79% | 0.786 | S | S | * | * | -175 | 134.9 | 119.2 | -103.2 | -75.8 | 0 | 0 | 0 | 111.5 | |||||
| 648 | T | 38 | Very low | 40.8 | Very low | 129 Ų | 129 | 139.8 Ų | 139.8 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | trans | -107.6 | 147.6 | -177.4 | 39.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 649 | R | 37.8 | Very low | 41.2 | Very low | 232 Ų | 232 | 141.3 Ų | 141.3 | 88% | 0.875 | 79% | 0.785 | S | S | * | * | trans | -174.2 | 110.8 | 143.1 | -129.2 | 166.9 | 178.5 | -154.7 | -2.4 | 110.6 | ||||
| 650 | T | 40 | Very low | 41.3 | Very low | 119 Ų | 119 | 141.1 Ų | 141.1 | 73% | 0.73 | 78% | 0.784 | S | S | * | * | 51.6 | 133.4 | 81 | 42.1 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 651 | T | 42.5 | Very low | 41.6 | Very low | 108 Ų | 108 | 140.4 Ų | 140.4 | 66% | 0.663 | 78% | 0.778 | S | S | * | * | cis | -171.8 | 171 | 0.5 | -50.5 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 652 | E | 41.3 | Very low | 42 | Very low | 178 Ų | 178 | 138.5 Ų | 138.5 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | trans | 101.9 | 107.7 | 147 | -62.1 | 172.1 | -154.1 | 0 | 0 | 121.1 | ||||
| 653 | M | 38.9 | Very low | 42.4 | Very low | 175 Ų | 175 | 138.3 Ų | 138.3 | 86% | 0.862 | 77% | 0.771 | S | S | * | * | trans | -66 | 174.7 | 147.5 | -75.8 | -99.5 | 168.7 | 0 | 0 | 110.3 | ||||
| 654 | P | 47.1 | Very low | 42.6 | Very low | 111 Ų | 111 | 138.5 Ų | 138.5 | 72% | 0.721 | 77% | 0.774 | S | S | * | * | cis | -154.1 | -179.1 | 25.8 | 43.7 | -21.1 | 0 | 0 | 0 | 118.7 | ||||
| 655 | K | 48.5 | Very low | 43.1 | Very low | 177 Ų | 177 | 141.3 Ų | 141.3 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | trans | 86.9 | 108.2 | 133.9 | -139.7 | 163.4 | -176.1 | 173.8 | 0 | 123.1 | ||||
| 656 | L | 39.9 | Very low | 43.5 | Very low | 157 Ų | 157 | 149.7 Ų | 149.7 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | trans | 58.9 | 127.4 | 133.5 | -61.2 | 172.6 | 0 | 0 | 0 | 122.5 | ||||
| 657 | G | 39.9 | Very low | 43.6 | Very low | 72 Ų | 72 | 151.2 Ų | 151.2 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | trans | 167.7 | 135.4 | 145 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 658 | P | 49.3 | Very low | 43.8 | Very low | 118 Ų | 118 | 147.2 Ų | 147.2 | 77% | 0.766 | 80% | 0.797 | S | S | * | * | trans | -116.2 | -162.3 | -151.4 | 36.2 | -18 | 0 | 0 | 0 | 114.4 | ||||
| 659 | I | 47.7 | Very low | 44.1 | Very low | 165 Ų | 165 | 148.2 Ų | 148.2 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | trans | 97.1 | 128.8 | 170.3 | -50.3 | 152.2 | 0 | 0 | 0 | 111.2 | ||||
| 660 | S | 40.2 | Very low | 44.5 | Very low | 109 Ų | 109 | 143.2 Ų | 143.2 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | cis | -159 | 155.1 | 30 | -176.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 661 | A | 45.6 | Very low | 44.7 | Very low | 81 Ų | 81 | 144.8 Ų | 144.8 | 67% | 0.669 | 80% | 0.797 | S | S | * | * | trans | -76 | 156.8 | 166.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 662 | N | 47.3 | Very low | 44.9 | Very low | 142 Ų | 142 | 147.2 Ų | 147.2 | 76% | 0.759 | 81% | 0.806 | S | S | * | * | trans | -172.3 | 114.4 | 134.2 | -94.7 | 2.7 | 0 | 0 | 0 | 107 | ||||
| 663 | E | 44.6 | Very low | 45.1 | Very low | 164 Ų | 164 | 145 Ų | 145 | 77% | 0.766 | 80% | 0.804 | S | S | * | * | 85.7 | 97.8 | 88 | -165 | 171.6 | -168.4 | 0 | 0 | 109.7 | |||||
| 664 | S | 46.8 | Very low | 45.6 | Very low | 103 Ų | 103 | 142.7 Ų | 142.7 | 72% | 0.72 | 80% | 0.799 | S | S | * | * | 82.2 | 140.7 | 88.1 | -160.8 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 665 | Q | 48 | Very low | 45.5 | Very low | 169 Ų | 169 | 145.3 Ų | 145.3 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | trans | 88.3 | 87.9 | 172 | -51.5 | -168.3 | 6 | 0 | 0 | 117.4 | ||||
| 666 | F | 48.3 | Very low | 45.2 | Very low | 287 Ų | 287 | 142.5 Ų | 142.5 | 100% | 1.259 | 81% | 0.809 | S | S | * | * | -155.2 | 0 | 108.8 | -105 | -76.6 | 0 | 0 | 0 | 110.7 |
Retrieved 666 of 666 residues in 221.9 ms
(Link to these results)