| 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 | 43.5 | Very low | 69.9 | Low | 245 Ų | 245 | 106.5 Ų | 106.5 | 100% | 1.207 | 63% | 0.628 | S | S | * | * | 0 | 82.2 | 0 | -69.3 | -89.5 | -94.4 | 0 | 0 | 106.8 | A3 | M1-A3 PolarHBondContact O-N 3.34Š| |||
| 2 | A | 47.5 | Very low | 71.2 | Confident | 101 Ų | 101 | 106.8 Ų | 106.8 | 84% | 0.835 | 62% | 0.616 | S | S | * | * | trans | -77.6 | 114 | -177.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | C4 | A2-C4 PolarHBondContact O-N 2.93Š| ||
| 3 | A | 55.2 | Low | 72.1 | Confident | 99 Ų | 99 | 102 Ų | 102 | 82% | 0.818 | 60% | 0.597 | S | S | * | * | trans | -69.4 | 99 | 169.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | M1 S5 | M1-A3 PolarHBondContact O-N 3.34Å; A3-S5 PolarHBondContact O-N 2.95Å; A3-S5 VanDerWaalsContact O-N 3.15Å | ||
| 4 | C | 56.8 | Low | 72.8 | Confident | 74 Ų | 74 | 104.7 Ų | 104.7 | 50% | 0.5 | 60% | 0.601 | S | S | . | * | trans | -52.9 | 121.3 | 164.7 | -74.1 | 0 | 0 | 0 | 0 | 107.1 | A2 V6 L9 | A2-C4 PolarHBondContact O-N 2.93Å; C4-V6 PolarHBondContact O-N 3.38Å; C4-L9 HydrophobicContact CB-CD1 4.33Å; C4-L9 HydrophobicContact CB-CD2 4.43Å; C4-L9 HydrophobicContact CB-CG 4.24Å | ||
| 5 | S | 76.8 | Confident | 73.1 | Confident | 41 Ų | 41 | 105.8 Ų | 105.8 | 29% | 0.287 | 60% | 0.599 | S | S | . | * | trans | -61.3 | 138 | 178.7 | 67.3 | 0 | 0 | 0 | 0 | 108.5 | A3 E7 E8 L9 | A3-S5 PolarHBondContact O-N 2.95Å; A3-S5 VanDerWaalsContact O-N 3.15Å; S5-E7 PolarHBondContact O-N 3.15Å; S5-E7 VanDerWaalsContact O-N 3.11Å; S5-E8 PolarHBondContact O-N 3.47Å; S5-E8 WeakPolarHBondContact OG-CB 3.05Å; S5-E8 WeakPolarHBondContact OG-CG 3.26Å; S5-E8 PolarHBondContact OG-N 3.07Å; S5-E8 PolarHBondContact OG-OE1 3.13Å; S5-L9 PolarHBondContact O-N 2.97Å | ||
| 6 | V | 76.8 | Confident | 73.5 | Confident | 108 Ų | 108 | 106.2 Ų | 106.2 | 66% | 0.655 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -56 | -29.9 | 179.3 | 176.2 | 0 | 0 | 0 | 0 | 110.8 | C4 L9 L10 | C4-V6 PolarHBondContact O-N 3.38Å; V6-L9 PolarHBondContact O-N 2.84Å; V6-L10 HydrophobicContact CG1-CD1 4.08Å; V6-L10 WeakPolarHBondContact O-CG 3.17Å; V6-L10 PolarHBondContact O-N 2.94Å |
| 7 | E | 78.8 | Confident | 73.7 | Confident | 156 Ų | 156 | 105.8 Ų | 105.8 | 73% | 0.729 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -64.3 | -43.1 | 174.8 | -64.2 | 175.9 | -179.6 | 0 | 0 | 112.7 | S5 L9 L10 A11 | S5-E7 PolarHBondContact O-N 3.15Å; S5-E7 VanDerWaalsContact O-N 3.11Å; E7-L9 VanDerWaalsContact C-N 3.34Å; E7-L9 PolarHBondContact O-N 2.57Å; E7-L10 PolarHBondContact O-N 3.03Å; E7-A11 WeakPolarHBondContact O-CB 3.37Å; E7-A11 PolarHBondContact O-N 2.72Å |
| 8 | E | 82.6 | Confident | 73.4 | Confident | 105 Ų | 105 | 103.3 Ų | 103.3 | 49% | 0.491 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -67.3 | -34.1 | 176 | -78 | 164 | -135.1 | 0 | 0 | 112.6 | S5 K12 | S5-E8 PolarHBondContact O-N 3.47Å; S5-E8 WeakPolarHBondContact OG-CB 3.05Å; S5-E8 WeakPolarHBondContact OG-CG 3.26Å; S5-E8 PolarHBondContact OG-N 3.07Å; S5-E8 PolarHBondContact OG-OE1 3.13Å; E8-K12 WeakPolarHBondContact O-CB 3.44Å; E8-K12 VanDerWaalsContact O-CG 3.29Å; E8-K12 WeakPolarHBondContact O-CG 3.29Å; E8-K12 PolarHBondContact O-N 2.95Å |
| 9 | L | 82.6 | Confident | 73.2 | Confident | 100 Ų | 100 | 106.5 Ų | 106.5 | 52% | 0.524 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -71.2 | -39 | 176.2 | -69.3 | 175.9 | 0 | 0 | 0 | 111.8 | C4 S5 V6 E7 A13 | C4-L9 HydrophobicContact CB-CD1 4.33Å; C4-L9 HydrophobicContact CB-CD2 4.43Å; C4-L9 HydrophobicContact CB-CG 4.24Å; S5-L9 PolarHBondContact O-N 2.97Å; V6-L9 PolarHBondContact O-N 2.84Å; E7-L9 VanDerWaalsContact C-N 3.34Å; E7-L9 PolarHBondContact O-N 2.57Å; L9-A13 WeakPolarHBondContact O-CB 3.49Å; L9-A13 PolarHBondContact O-N 3.02Å |
| 10 | L | 84.3 | Confident | 73.2 | Confident | 101 Ų | 101 | 108.2 Ų | 108.2 | 53% | 0.529 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -66.1 | -44.8 | 173.4 | -79.3 | 164.3 | 0 | 0 | 0 | 111.7 | V6 E7 K12 A13 E14 | V6-L10 HydrophobicContact CG1-CD1 4.08Å; V6-L10 WeakPolarHBondContact O-CG 3.17Å; V6-L10 PolarHBondContact O-N 2.94Å; E7-L10 PolarHBondContact O-N 3.03Å; L10-K12 VanDerWaalsContact C-N 3.32Å; L10-K12 PolarHBondContact O-N 3.04Å; L10-A13 PolarHBondContact O-N 3.1Å; L10-E14 WeakPolarHBondContact O-CG 3.35Å; L10-E14 PolarHBondContact O-N 3.22Å |
| 11 | A | 84.7 | Confident | 73.1 | Confident | 41 Ų | 41 | 109 Ų | 109 | 34% | 0.339 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -62.5 | -38.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | E7 E14 Q15 | E7-A11 WeakPolarHBondContact O-CB 3.37Å; E7-A11 PolarHBondContact O-N 2.72Å; A11-E14 PolarHBondContact O-N 2.6Å; A11-Q15 WeakPolarHBondContact O-CB 3.35Å; A11-Q15 VanDerWaalsContact O-CG 3.24Å; A11-Q15 WeakPolarHBondContact O-CG 3.39Å; A11-Q15 PolarHBondContact O-N 3.47Å |
| 12 | K | 85.3 | Confident | 74.6 | Confident | 110 Ų | 110 | 105.9 Ų | 105.9 | 48% | 0.478 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -66.4 | -42 | 172.8 | -77.2 | 174.9 | -179 | 173.4 | 0 | 112.2 | E8 L10 E14 Q15 E16 | E8-K12 WeakPolarHBondContact O-CB 3.44Å; E8-K12 VanDerWaalsContact O-CG 3.29Å; E8-K12 WeakPolarHBondContact O-CG 3.29Å; E8-K12 PolarHBondContact O-N 2.95Å; L10-K12 VanDerWaalsContact C-N 3.32Å; L10-K12 PolarHBondContact O-N 3.04Å; K12-E14 VanDerWaalsContact C-N 3.35Å; K12-Q15 PolarHBondContact O-N 2.71Å; K12-E16 WeakPolarHBondContact O-CB 3.44Å; K12-E16 WeakPolarHBondContact O-CG 3.42Å; K12-E16 PolarHBondContact O-N 2.99Å |
| 13 | A | 82.4 | Confident | 76.3 | Confident | 45 Ų | 45 | 104.8 Ų | 104.8 | 37% | 0.372 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.9 | -39.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L9 L10 E16 E17 | L9-A13 WeakPolarHBondContact O-CB 3.49Å; L9-A13 PolarHBondContact O-N 3.02Å; L10-A13 PolarHBondContact O-N 3.1Å; A13-E16 PolarHBondContact O-N 3.34Å; A13-E17 WeakPolarHBondContact O-CB 3.44Å; A13-E17 VanDerWaalsContact O-CG 3.28Å; A13-E17 WeakPolarHBondContact O-CG 3.5Å; A13-E17 PolarHBondContact O-N 3.36Å |
| 14 | E | 82 | Confident | 77.8 | Confident | 140 Ų | 140 | 105.4 Ų | 105.4 | 65% | 0.654 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -64.8 | -39.3 | 173.8 | -74.8 | 178.9 | 174.6 | 0 | 0 | 112.2 | L10 A11 K12 A18 | L10-E14 WeakPolarHBondContact O-CG 3.35Å; L10-E14 PolarHBondContact O-N 3.22Å; A11-E14 PolarHBondContact O-N 2.6Å; K12-E14 VanDerWaalsContact C-N 3.35Å; E14-A18 WeakPolarHBondContact O-CB 3.47Å; E14-A18 PolarHBondContact O-N 3.04Å |
| 15 | Q | 77.8 | Confident | 79.3 | Confident | 121 Ų | 121 | 106 Ų | 106 | 57% | 0.565 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -66.2 | -44.9 | 174.4 | -75.4 | 173.6 | 3 | 0 | 0 | 111.8 | A11 K12 E17 A18 E19 | A11-Q15 WeakPolarHBondContact O-CB 3.35Å; A11-Q15 VanDerWaalsContact O-CG 3.24Å; A11-Q15 WeakPolarHBondContact O-CG 3.39Å; A11-Q15 PolarHBondContact O-N 3.47Å; K12-Q15 PolarHBondContact O-N 2.71Å; Q15-E17 VanDerWaalsContact C-N 3.34Å; Q15-E17 PolarHBondContact O-N 2.9Å; Q15-A18 CarbonylContact O-C 3.56Å; Q15-A18 PolarHBondContact O-N 3.19Å; Q15-E19 WeakPolarHBondContact O-CB 3.44Å; Q15-E19 VanDerWaalsContact O-CG 3.32Å; Q15-E19 WeakPolarHBondContact O-CG 3.44Å; Q15-E19 PolarHBondContact O-N 3.04Å |
| 16 | E | 79.7 | Confident | 80 | Confident | 112 Ų | 112 | 105 Ų | 105 | 52% | 0.523 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.2 | -38 | 176.5 | -74 | 177.8 | -172.4 | 0 | 0 | 112 | K12 A13 K20 | K12-E16 WeakPolarHBondContact O-CB 3.44Å; K12-E16 WeakPolarHBondContact O-CG 3.42Å; K12-E16 PolarHBondContact O-N 2.99Å; A13-E16 PolarHBondContact O-N 3.34Å; E16-K20 VanDerWaalsContact O-CG 3.25Å; E16-K20 WeakPolarHBondContact O-CG 3.23Å; E16-K20 PolarHBondContact O-N 2.91Å; E16-K20 VanDerWaalsContact O-N 3.11Å |
| 17 | E | 75.7 | Confident | 80.6 | Confident | 100 Ų | 100 | 108.9 Ų | 108.9 | 47% | 0.467 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -68.4 | -40.6 | 172.5 | -74.3 | -66.4 | 126.4 | 0 | 0 | 111.6 | A13 Q15 E19 K20 L21 | A13-E17 WeakPolarHBondContact O-CB 3.44Å; A13-E17 VanDerWaalsContact O-CG 3.28Å; A13-E17 WeakPolarHBondContact O-CG 3.5Å; A13-E17 PolarHBondContact O-N 3.36Å; Q15-E17 VanDerWaalsContact C-N 3.34Å; Q15-E17 PolarHBondContact O-N 2.9Å; E17-E19 VanDerWaalsContact C-N 3.34Å; E17-E19 PolarHBondContact O-N 3.17Å; E17-K20 WeakPolarHBondContact O-CB 3.27Å; E17-K20 PolarHBondContact O-N 2.95Å; E17-K20 IonicContact OE1-NZ 3.61Å; E17-K20 PolarHBondContact OE1-NZ 3.45Å; E17-L21 VanDerWaalsContact O-CG 3.28Å; E17-L21 WeakPolarHBondContact O-CG 3.29Å; E17-L21 PolarHBondContact O-N 3.38Å |
| 18 | A | 68.9 | Low | 81.1 | Confident | 61 Ų | 61 | 103.9 Ų | 103.9 | 50% | 0.504 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.7 | -34.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | E14 Q15 L21 | E14-A18 WeakPolarHBondContact O-CB 3.47Å; E14-A18 PolarHBondContact O-N 3.04Å; Q15-A18 CarbonylContact O-C 3.56Å; Q15-A18 PolarHBondContact O-N 3.19Å; A18-L21 PolarHBondContact O-N 3.08Å |
| 19 | E | 70.2 | Confident | 81.3 | Confident | 164 Ų | 164 | 107.7 Ų | 107.7 | 77% | 0.766 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -70.5 | -32 | 174.3 | -75.9 | 179.7 | 176.7 | 0 | 0 | 112.4 | Q15 E17 L21 | Q15-E19 WeakPolarHBondContact O-CB 3.44Å; Q15-E19 VanDerWaalsContact O-CG 3.32Å; Q15-E19 WeakPolarHBondContact O-CG 3.44Å; Q15-E19 PolarHBondContact O-N 3.04Å; E17-E19 VanDerWaalsContact C-N 3.34Å; E17-E19 PolarHBondContact O-N 3.17Å; E19-L21 VanDerWaalsContact C-N 3.32Å |
| 20 | K | 72.2 | Confident | 81.8 | Confident | 139 Ų | 139 | 107.4 Ų | 107.4 | 60% | 0.604 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -68.4 | -32.3 | 170.8 | -70.8 | 169 | -157.6 | 168.8 | 0 | 111.8 | E16 E17 | E16-K20 VanDerWaalsContact O-CG 3.25Å; E16-K20 WeakPolarHBondContact O-CG 3.23Å; E16-K20 PolarHBondContact O-N 2.91Å; E16-K20 VanDerWaalsContact O-N 3.11Å; E17-K20 WeakPolarHBondContact O-CB 3.27Å; E17-K20 PolarHBondContact O-N 2.95Å; E17-K20 IonicContact OE1-NZ 3.61Å; E17-K20 PolarHBondContact OE1-NZ 3.45Å |
| 21 | L | 72.4 | Confident | 82 | Confident | 125 Ų | 125 | 109.7 Ų | 109.7 | 65% | 0.654 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -82.8 | 115.3 | -180 | -67.2 | 169.7 | 0 | 0 | 0 | 110.7 | E17 A18 E19 | E17-L21 VanDerWaalsContact O-CG 3.28Å; E17-L21 WeakPolarHBondContact O-CG 3.29Å; E17-L21 PolarHBondContact O-N 3.38Å; A18-L21 PolarHBondContact O-N 3.08Å; E19-L21 VanDerWaalsContact C-N 3.32Å |
| 22 | K | 73.5 | Confident | 82.4 | Confident | 180 Ų | 180 | 108.4 Ų | 108.4 | 78% | 0.783 | 55% | 0.55 | S | S | * | * | trans | -60.7 | 150.1 | 172.7 | -66.8 | 178.6 | -179.9 | 177.2 | 0 | 110.6 | I24 | K22-I24 PolarHBondContact O-N 3.04Š| ||
| 23 | S | 84.3 | Confident | 82.8 | Confident | 79 Ų | 79 | 108.2 Ų | 108.2 | 55% | 0.552 | 55% | 0.551 | S | S | * | * | trans | -56.7 | 128.5 | 179.1 | 64.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 24 | I | 86.6 | Confident | 83.3 | Confident | 112 Ų | 112 | 109.2 Ų | 109.2 | 57% | 0.574 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -83.2 | -18.4 | 177.4 | 57.2 | 164.8 | 0 | 0 | 0 | 113 | K22 Q70 N74 | K22-I24 PolarHBondContact O-N 3.04Å; I24-Q70 VanDerWaalsContact O-CG 3.23Å; I24-Q70 WeakPolarHBondContact O-CG 3.19Å; I24-N74 PolarHBondContact O-ND2 3.23Å |
| 25 | S | 88.1 | Confident | 84 | Confident | 85 Ų | 85 | 102.9 Ų | 102.9 | 59% | 0.594 | 52% | 0.518 | S | S | * | . | trans | -85.4 | 135.2 | 174.8 | 53.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 26 | V | 90.6 | Very high | 84.7 | Confident | 22 Ų | 22 | 98 Ų | 98 | 13% | 0.133 | 50% | 0.497 | C | S | . | . | trans | -129.4 | 123.5 | 177.2 | -177 | 0 | 0 | 0 | 0 | 106.8 | K28 R66 D67 Q70 L71 | V26-K28 HydrophobicContact CG1-CG 4.39Å; V26-R66 VanDerWaalsContact CG2-NH2 3.28Å; V26-D67 HydrophobicContact CG1-CB 3.86Å; V26-Q70 HydrophobicContact CG2-CB 4.26Å; V26-Q70 HydrophobicContact CG2-CG 4.22Å; V26-L71 HydrophobicContact CB-CD1 4.43Å; V26-L71 HydrophobicContact CB-CD2 4.14Å; V26-L71 HydrophobicContact CB-CG 4.18Å | ||
| 27 | Q | 89.3 | Confident | 85.4 | Confident | 189 Ų | 189 | 93.3 Ų | 93.3 | 88% | 0.883 | 48% | 0.477 | S | S | * | . | trans | -99.3 | 131.3 | 177.6 | -67.1 | 179.6 | -10.3 | 0 | 0 | 108.9 | ||||
| 28 | K | 89.5 | Confident | 86.3 | Confident | 50 Ų | 50 | 90.9 Ų | 90.9 | 22% | 0.217 | 47% | 0.468 | C | S | . | . | trans | -130.2 | 159 | 176.1 | -69.9 | -169 | 164.7 | -155.7 | 0 | 109.6 | V26 L32 D43 N68 L71 | V26-K28 HydrophobicContact CG1-CG 4.39Å; K28-L32 HydrophobicContact CD-CD1 3.67Å; K28-D43 IonicContact NZ-OD2 2.77Å; K28-D43 PolarHBondContact NZ-OD2 3.1Å; K28-N68 WeakPolarHBondContact CE-OD1 3.33Å; K28-N68 PolarHBondContact NZ-OD1 3.47Å; K28-L71 HydrophobicContact CD-CD1 4.41Å | ||
| 29 | E | 88.4 | Confident | 87.5 | Confident | 185 Ų | 185 | 92.5 Ų | 92.5 | 86% | 0.864 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -65.7 | -42.1 | 179.4 | -63.4 | -178.6 | 173.5 | 0 | 0 | 111.8 | ||
| 30 | L | 91 | Very high | 88.6 | Confident | 94 Ų | 94 | 87.9 Ų | 87.9 | 49% | 0.492 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -115.8 | 137.1 | 172.7 | -58 | 171.6 | 0 | 0 | 0 | 110.4 | N45 | L30-N45 VanDerWaalsContact CB-OD1 3.29Å; L30-N45 WeakPolarHBondContact CB-OD1 3.24Å; L30-N45 PolarHBondContact N-OD1 2.94Å; L30-N45 PolarHBondContact O-ND2 3.48Å |
| 31 | D | 90.6 | Very high | 89.7 | Confident | 150 Ų | 150 | 82.9 Ų | 82.9 | 80% | 0.802 | 43% | 0.432 | S | S | * | . | P | Polyproline II helix | trans | -64.6 | 148.2 | 171.6 | -66.8 | -33.9 | 0 | 0 | 0 | 111.3 | ||
| 32 | L | 91.9 | Very high | 90.8 | Very high | 14 Ų | 14 | 79.7 Ų | 79.7 | 7% | 0.073 | 42% | 0.42 | C | S | . | . | P | Polyproline II helix | trans | -80.6 | 146.3 | 178.9 | -87 | 65.4 | 0 | 0 | 0 | 111.2 | K28 F34 A41 D43 N68 L71 | K28-L32 HydrophobicContact CD-CD1 3.67Å; L32-F34 HydrophobicContact CB-CE1 3.96Å; L32-F34 HydrophobicContact CB-CE2 3.91Å; L32-F34 HydrophobicContact CB-CZ 3.55Å; L32-F34 HydrophobicContact CD2-CE1 4.27Å; L32-F34 HydrophobicContact CD2-CZ 4.37Å; L32-F34 WeakPolarHBondContact O-CD2 3.4Å; L32-F34 WeakPolarHBondContact O-CE2 3.24Å; L32-A41 HydrophobicContact CD2-CB 4.11Å; L32-D43 HydrophobicContact CD2-CB 4.49Å; L32-D43 HydrophobicContact CG-CB 4.27Å; L32-N68 HydrophobicContact CD2-CB 4.29Å; L32-N68 WeakPolarHBondContact CD2-OD1 3.5Å; L32-L71 HydrophobicContact CD1-CD1 3.95Å; L32-L71 HydrophobicContact CD2-CD1 4.12Å |
| 33 | E | 93.9 | Very high | 91.8 | Very high | 105 Ų | 105 | 73.2 Ų | 73.2 | 49% | 0.491 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 123.3 | 168.6 | -72 | 179.6 | 174.8 | 0 | 0 | 109.8 | C42 K44 | E33-C42 HydrophobicContact CB-CB 4.02Å; E33-C42 PolarHBondContact N-O 2.96Å; E33-C42 VanDerWaalsContact N-O 3.1Å; E33-C42 PolarHBondContact O-N 2.98Å; E33-K44 WeakPolarHBondContact OE1-CE 3.48Å; E33-K44 IonicContact OE1-NZ 3.12Å; E33-K44 PolarHBondContact OE1-NZ 3.18Å; E33-K44 WeakPolarHBondContact OE2-CE 3.32Å; E33-K44 IonicContact OE2-NZ 3.34Å; E33-K44 PolarHBondContact OE2-NZ 3.36Å |
| 34 | F | 93.9 | Very high | 92.2 | Very high | 67 Ų | 67 | 75.4 Ų | 75.4 | 29% | 0.294 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 134 | -177.2 | -58.6 | -78.6 | 0 | 0 | 0 | 111.9 | L32 V36 A41 L71 L72 E75 | L32-F34 HydrophobicContact CB-CE1 3.96Å; L32-F34 HydrophobicContact CB-CE2 3.91Å; L32-F34 HydrophobicContact CB-CZ 3.55Å; L32-F34 HydrophobicContact CD2-CE1 4.27Å; L32-F34 HydrophobicContact CD2-CZ 4.37Å; L32-F34 WeakPolarHBondContact O-CD2 3.4Å; L32-F34 WeakPolarHBondContact O-CE2 3.24Å; F34-V36 HydrophobicContact CB-CG2 4.17Å; F34-A41 HydrophobicContact CD1-CB 3.85Å; F34-A41 HydrophobicContact CE1-CB 3.94Å; F34-L71 HydrophobicContact CE1-CB 4.26Å; F34-L71 HydrophobicContact CZ-CB 4.03Å; F34-L72 HydrophobicContact CD1-CD1 4.14Å; F34-L72 HydrophobicContact CE1-CB 4.48Å; F34-E75 HydrophobicContact CD1-CG 4.14Å; F34-E75 HydrophobicContact CD2-CG 3.92Å; F34-E75 HydrophobicContact CE1-CG 4.12Å; F34-E75 HydrophobicContact CE2-CG 3.9Å; F34-E75 HydrophobicContact CG-CG 4.04Å; F34-E75 HydrophobicContact CZ-CG 4Å |
| 35 | D | 94.9 | Very high | 92.5 | Very high | 7 Ų | 7 | 71.4 Ų | 71.4 | 4% | 0.037 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 81.5 | 163.7 | -176.8 | 11.4 | 0 | 0 | 0 | 107.9 | G37 N38 L39 L40 T96 T97 | D35-G37 PolarHBondContact O-N 2.86Å; D35-N38 CarbonylContact O-C 3.59Å; D35-N38 PolarHBondContact O-N 3.33Å; D35-N38 PolarHBondContact OD2-ND2 3.44Å; D35-L39 PolarHBondContact O-N 2.86Å; D35-L39 VanDerWaalsContact O-N 3.09Å; D35-L40 HydrophobicContact CB-CB 4.31Å; D35-L40 PolarHBondContact N-O 3.44Å; D35-L40 PolarHBondContact O-N 2.8Å; D35-T96 PolarHBondContact OD1-N 3.4Å; D35-T97 WeakPolarHBondContact OD2-CB 3.44Å; D35-T97 PolarHBondContact OD2-N 2.88Å; D35-T97 PolarHBondContact OD2-OG1 3.26Å |
| 36 | V | 93.7 | Very high | 92.5 | Very high | 19 Ų | 19 | 77 Ų | 77 | 12% | 0.115 | 38% | 0.381 | C | S | . | . | G | 310 helix | trans | -63.7 | -27.9 | -173.5 | -170 | 0 | 0 | 0 | 0 | 111.7 | F34 N38 L39 E75 I76 L79 L92 P93 | F34-V36 HydrophobicContact CB-CG2 4.17Å; V36-N38 PolarHBondContact O-N 3.08Å; V36-L39 PolarHBondContact O-N 3.45Å; V36-L39 VanDerWaalsContact O-N 3.08Å; V36-E75 HydrophobicContact CG2-CB 4.4Å; V36-I76 HydrophobicContact CG1-CG1 3.98Å; V36-L79 HydrophobicContact CG1-CD1 3.66Å; V36-L92 HydrophobicContact CG1-CD2 4.09Å; V36-P93 HydrophobicContact CB-CG 4.08Å |
| 37 | G | 93.4 | Very high | 92.4 | Very high | 12 Ų | 12 | 79.5 Ų | 79.5 | 12% | 0.124 | 39% | 0.393 | C | S | . | . | G | 310 helix | trans | -63.6 | -26.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | D35 P93 | D35-G37 PolarHBondContact O-N 2.86Å; G37-P93 WeakPolarHBondContact CA-O 3.31Å |
| 38 | N | 94.3 | Very high | 92.2 | Very high | 50 Ų | 50 | 74.5 Ų | 74.5 | 27% | 0.267 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -105.3 | 6.6 | 173.6 | -74.8 | -40.9 | 0 | 0 | 0 | 113 | D35 V36 L40 Q95 | D35-N38 CarbonylContact O-C 3.59Å; D35-N38 PolarHBondContact O-N 3.33Å; D35-N38 PolarHBondContact OD2-ND2 3.44Å; V36-N38 PolarHBondContact O-N 3.08Å; N38-L40 HydrophobicContact CB-CB 4.18Å; N38-L40 PolarHBondContact O-N 3.44Å; N38-Q95 VanDerWaalsContact OD1-CG 3.31Å; N38-Q95 WeakPolarHBondContact OD1-CG 3.42Å; N38-Q95 PolarHBondContact OD1-NE2 2.97Å |
| 39 | L | 94.3 | Very high | 91.9 | Very high | 94 Ų | 94 | 75.9 Ų | 75.9 | 49% | 0.492 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 42.1 | -173.4 | -55.8 | 174 | 0 | 0 | 0 | 112.1 | D35 V36 L72 I76 L92 | D35-L39 PolarHBondContact O-N 2.86Å; D35-L39 VanDerWaalsContact O-N 3.09Å; V36-L39 PolarHBondContact O-N 3.45Å; V36-L39 VanDerWaalsContact O-N 3.08Å; L39-L72 WeakPolarHBondContact O-CD2 3.29Å; L39-I76 HydrophobicContact CD2-CD1 3.75Å; L39-I76 HydrophobicContact CD2-CG1 4.23Å; L39-L92 HydrophobicContact CD2-CD1 4.28Å; L39-L92 HydrophobicContact CD2-CD2 4.12Å |
| 40 | L | 94.9 | Very high | 91.6 | Very high | 67 Ų | 67 | 76.2 Ų | 76.2 | 35% | 0.351 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 135.9 | -172.2 | -175.7 | 156.6 | 0 | 0 | 0 | 110.3 | D35 N38 C42 | D35-L40 HydrophobicContact CB-CB 4.31Å; D35-L40 PolarHBondContact N-O 3.44Å; D35-L40 PolarHBondContact O-N 2.8Å; N38-L40 HydrophobicContact CB-CB 4.18Å; N38-L40 PolarHBondContact O-N 3.44Å; L40-C42 HydrophobicContact CD2-CB 4.43Å; L40-C42 WeakPolarHBondContact CD2-SG 3.47Å |
| 41 | A | 95.2 | Very high | 91 | Very high | 34 Ų | 34 | 74.7 Ų | 74.7 | 28% | 0.281 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 122.2 | 171 | 0 | 0 | 0 | 0 | 0 | 109.8 | L32 F34 L72 | L32-A41 HydrophobicContact CD2-CB 4.11Å; F34-A41 HydrophobicContact CD1-CB 3.85Å; F34-A41 HydrophobicContact CE1-CB 3.94Å; A41-L72 HydrophobicContact CB-CB 4.18Å; A41-L72 HydrophobicContact CB-CD1 4.28Å |
| 42 | C | 94.3 | Very high | 90.6 | Very high | 58 Ų | 58 | 70.7 Ų | 70.7 | 39% | 0.392 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 109.6 | 178.5 | -84.4 | 0 | 0 | 0 | 0 | 109.7 | E33 L40 | E33-C42 HydrophobicContact CB-CB 4.02Å; E33-C42 PolarHBondContact N-O 2.96Å; E33-C42 VanDerWaalsContact N-O 3.1Å; E33-C42 PolarHBondContact O-N 2.98Å; L40-C42 HydrophobicContact CD2-CB 4.43Å; L40-C42 WeakPolarHBondContact CD2-SG 3.47Å |
| 43 | D | 94.8 | Very high | 90 | Very high | 45 Ų | 45 | 79.2 Ų | 79.2 | 24% | 0.241 | 38% | 0.377 | C | S | . | . | trans | -91.4 | 115.8 | 173.5 | -170.2 | -0.8 | 0 | 0 | 0 | 110.2 | K28 L32 N45 N68 | K28-D43 IonicContact NZ-OD2 2.77Å; K28-D43 PolarHBondContact NZ-OD2 3.1Å; L32-D43 HydrophobicContact CD2-CB 4.49Å; L32-D43 HydrophobicContact CG-CB 4.27Å; D43-N45 VanDerWaalsContact OD1-CB 3.26Å; D43-N45 WeakPolarHBondContact OD1-CB 3.43Å; D43-N45 PolarHBondContact OD1-N 2.89Å; D43-N45 PolarHBondContact OD1-ND2 2.87Å; D43-N68 PolarHBondContact OD2-ND2 3.01Å; D43-N68 PolarHBondContact OD2-OD1 3.21Å | ||
| 44 | K | 93.4 | Very high | 89.2 | Confident | 125 Ų | 125 | 79.5 Ų | 79.5 | 54% | 0.543 | 38% | 0.379 | S | S | . | . | trans | -96.9 | 0.6 | 178.7 | -66.8 | -177.4 | 177.6 | 177.4 | 0 | 113.2 | E33 | E33-K44 WeakPolarHBondContact OE1-CE 3.48Å; E33-K44 IonicContact OE1-NZ 3.12Å; E33-K44 PolarHBondContact OE1-NZ 3.18Å; E33-K44 WeakPolarHBondContact OE2-CE 3.32Å; E33-K44 IonicContact OE2-NZ 3.34Å; E33-K44 PolarHBondContact OE2-NZ 3.36Å | ||
| 45 | N | 91.9 | Very high | 88.4 | Confident | 28 Ų | 28 | 86.9 Ų | 86.9 | 15% | 0.15 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -63.9 | 145.6 | 179.8 | -68.8 | -68.6 | 0 | 0 | 0 | 111 | L30 D43 | L30-N45 VanDerWaalsContact CB-OD1 3.29Å; L30-N45 WeakPolarHBondContact CB-OD1 3.24Å; L30-N45 PolarHBondContact N-OD1 2.94Å; L30-N45 PolarHBondContact O-ND2 3.48Å; D43-N45 VanDerWaalsContact OD1-CB 3.26Å; D43-N45 WeakPolarHBondContact OD1-CB 3.43Å; D43-N45 PolarHBondContact OD1-N 2.89Å; D43-N45 PolarHBondContact OD1-ND2 2.87Å |
| 46 | R | 89.1 | Confident | 87.9 | Confident | 202 Ų | 202 | 93.3 Ų | 93.3 | 76% | 0.762 | 44% | 0.439 | S | S | * | . | P | Polyproline II helix | trans | -71.9 | 132.5 | -179.1 | -179.5 | 177.5 | 164.8 | -175.1 | -12.5 | 110.1 | E48 | R46-E48 IonicContact CZ-OE1 2.69Å; R46-E48 IonicContact NE-OE1 3.15Å; R46-E48 PolarHBondContact NE-OE1 2.96Å; R46-E48 IonicContact NH2-OE1 3.91Å; R46-E48 PolarHBondContact NH2-OE1 2.66Å; R46-E48 IonicContact NH2-OE2 3.64Å; R46-E48 PolarHBondContact NH2-OE2 3.47Å |
| 47 | I | 88.5 | Confident | 87.7 | Confident | 75 Ų | 75 | 98.4 Ų | 98.4 | 39% | 0.385 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -103.6 | 129.9 | 174 | -58.1 | 170.6 | 0 | 0 | 0 | 108.9 | L52 F60 L64 | I47-L52 HydrophobicContact CG2-CD1 3.9Å; I47-L52 HydrophobicContact CG2-CD2 4.47Å; I47-L52 HydrophobicContact CG2-CG 4.09Å; I47-F60 HydrophobicContact CG2-CE1 3.84Å; I47-F60 HydrophobicContact CG2-CZ 3.98Å; I47-L64 HydrophobicContact CD1-CD2 3.98Å |
| 48 | E | 84.1 | Confident | 87.5 | Confident | 83 Ų | 83 | 102.5 Ų | 102.5 | 39% | 0.388 | 48% | 0.475 | S | S | . | . | P | Polyproline II helix | trans | -78 | 131.5 | 175.9 | -68.9 | -57.8 | 144.3 | 0 | 0 | 111.4 | R46 R50 D51 | R46-E48 IonicContact CZ-OE1 2.69Å; R46-E48 IonicContact NE-OE1 3.15Å; R46-E48 PolarHBondContact NE-OE1 2.96Å; R46-E48 IonicContact NH2-OE1 3.91Å; R46-E48 PolarHBondContact NH2-OE1 2.66Å; R46-E48 IonicContact NH2-OE2 3.64Å; R46-E48 PolarHBondContact NH2-OE2 3.47Å; E48-R50 PolarHBondContact O-N 3.09Å; E48-R50 VanDerWaalsContact O-N 3.13Å; E48-D51 PolarHBondContact O-N 3.11Å |
| 49 | T | 82.8 | Confident | 87.4 | Confident | 79 Ų | 79 | 104.6 Ų | 104.6 | 49% | 0.485 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -8.1 | -175.2 | 58.4 | 0 | 0 | 0 | 0 | 114.1 | R53 | T49-R53 PolarHBondContact O-NE 3.24Å; T49-R53 PolarHBondContact OG1-NH2 3.04Å |
| 50 | R | 82.9 | Confident | 87.2 | Confident | 192 Ų | 192 | 102.9 Ų | 102.9 | 73% | 0.725 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -46 | 176.5 | -66.4 | -178.6 | -179.9 | -180 | 0.4 | 110.4 | E48 L52 R53 E54 | E48-R50 PolarHBondContact O-N 3.09Å; E48-R50 VanDerWaalsContact O-N 3.13Å; R50-L52 PolarHBondContact O-N 3.26Å; R50-L52 VanDerWaalsContact O-N 3.15Å; R50-R53 PolarHBondContact O-N 3.46Å; R50-E54 PolarHBondContact O-N 3.32Å |
| 51 | D | 79.3 | Confident | 87.1 | Confident | 63 Ų | 63 | 103.1 Ų | 103.1 | 34% | 0.337 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -26.8 | -178.7 | -55.3 | -24.8 | 0 | 0 | 0 | 112.6 | E48 F60 | E48-D51 PolarHBondContact O-N 3.11Å; D51-F60 HydrophobicContact CB-CD1 4.27Å; D51-F60 HydrophobicContact CB-CD2 4.04Å; D51-F60 HydrophobicContact CB-CE1 4.34Å; D51-F60 HydrophobicContact CB-CE2 4.1Å; D51-F60 HydrophobicContact CB-CG 4.13Å; D51-F60 HydrophobicContact CB-CZ 4.25Å |
| 52 | L | 81 | Confident | 87 | Confident | 65 Ų | 65 | 109.7 Ų | 109.7 | 34% | 0.34 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -19.2 | 176.3 | -68.6 | 171 | 0 | 0 | 0 | 114.2 | I47 R50 R57 F60 L61 | I47-L52 HydrophobicContact CG2-CD1 3.9Å; I47-L52 HydrophobicContact CG2-CD2 4.47Å; I47-L52 HydrophobicContact CG2-CG 4.09Å; R50-L52 PolarHBondContact O-N 3.26Å; R50-L52 VanDerWaalsContact O-N 3.15Å; L52-R57 WeakPolarHBondContact O-CD 3.35Å; L52-R57 WeakPolarHBondContact O-CG 3.19Å; L52-F60 HydrophobicContact CD2-CD1 4.4Å; L52-F60 HydrophobicContact CD2-CE1 4.35Å; L52-L61 HydrophobicContact CD2-CD2 4.03Å |
| 53 | R | 78.8 | Confident | 86.8 | Confident | 193 Ų | 193 | 109.3 Ų | 109.3 | 73% | 0.728 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99 | -16.8 | -174.6 | -80 | -176.1 | -89.5 | -163.5 | -4.8 | 113.9 | T49 R50 | T49-R53 PolarHBondContact O-NE 3.24Å; T49-R53 PolarHBondContact OG1-NH2 3.04Å; R50-R53 PolarHBondContact O-N 3.46Å |
| 54 | E | 77.9 | Confident | 86.7 | Confident | 112 Ų | 112 | 109 Ų | 109 | 52% | 0.523 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -76.2 | 162.1 | -177 | -69.7 | -171.6 | 177.3 | 0 | 0 | 113.5 | R50 K56 R57 | R50-E54 PolarHBondContact O-N 3.32Å; E54-K56 PolarHBondContact O-N 3.31Å; E54-R57 WeakPolarHBondContact O-CB 3.34Å; E54-R57 PolarHBondContact O-N 3.42Å |
| 55 | K | 77.7 | Confident | 86.7 | Confident | 222 Ų | 222 | 105.5 Ų | 105.5 | 97% | 0.965 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -20.6 | 172.5 | -70.2 | -179 | 179 | 177.9 | 0 | 112.9 | ||
| 56 | K | 83.3 | Confident | 86.8 | Confident | 142 Ų | 142 | 108.5 Ų | 108.5 | 62% | 0.617 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | 9.8 | 179.1 | -64.1 | -178.8 | 178.9 | 177.2 | 0 | 114.7 | E54 N58 D59 F60 | E54-K56 PolarHBondContact O-N 3.31Å; K56-N58 VanDerWaalsContact C-N 3.29Å; K56-N58 PolarHBondContact O-N 2.92Å; K56-D59 PolarHBondContact O-N 3.44Å; K56-F60 PolarHBondContact O-N 2.8Å; K56-F60 VanDerWaalsContact O-N 3.08Å |
| 57 | R | 89.1 | Confident | 87 | Confident | 126 Ų | 126 | 100.8 Ų | 100.8 | 48% | 0.475 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -47.3 | -47.6 | -179 | -176.9 | -174 | 80.9 | 160 | 2.8 | 113.9 | L52 E54 D59 F60 L61 | L52-R57 WeakPolarHBondContact O-CD 3.35Å; L52-R57 WeakPolarHBondContact O-CG 3.19Å; E54-R57 WeakPolarHBondContact O-CB 3.34Å; E54-R57 PolarHBondContact O-N 3.42Å; R57-D59 VanDerWaalsContact C-N 3.31Å; R57-D59 PolarHBondContact O-N 2.96Å; R57-F60 PolarHBondContact O-N 3.14Å; R57-L61 HydrophobicContact CG-CD1 4.06Å; R57-L61 HydrophobicContact CG-CG 4.45Å; R57-L61 WeakPolarHBondContact O-CG 3.24Å; R57-L61 PolarHBondContact O-N 3.47Å |
| 58 | N | 90.4 | Very high | 87.3 | Confident | 97 Ų | 97 | 98.5 Ų | 98.5 | 52% | 0.519 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -67.9 | -33.5 | -175.8 | -66.8 | -21.6 | 0 | 0 | 0 | 112 | K56 R62 | K56-N58 VanDerWaalsContact C-N 3.29Å; K56-N58 PolarHBondContact O-N 2.92Å; N58-R62 VanDerWaalsContact O-CB 3.24Å; N58-R62 WeakPolarHBondContact O-CB 3.31Å; N58-R62 PolarHBondContact O-N 2.96Å |
| 59 | D | 91 | Very high | 87.9 | Confident | 95 Ų | 95 | 98 Ų | 98 | 51% | 0.508 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -70.9 | -40.7 | 177.5 | -61.4 | -34.7 | 0 | 0 | 0 | 110.6 | K56 R57 R62 A63 | K56-D59 PolarHBondContact O-N 3.44Å; R57-D59 VanDerWaalsContact C-N 3.31Å; R57-D59 PolarHBondContact O-N 2.96Å; D59-R62 PolarHBondContact O-N 3.31Å; D59-A63 WeakPolarHBondContact O-CB 3.43Å; D59-A63 PolarHBondContact O-N 3.29Å |
| 60 | F | 90.8 | Very high | 88.4 | Confident | 58 Ų | 58 | 96.4 Ų | 96.4 | 25% | 0.254 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -60.2 | -50.7 | 172.4 | 174.5 | -99.7 | 0 | 0 | 0 | 112 | I47 D51 L52 K56 R57 R62 A63 L64 | I47-F60 HydrophobicContact CG2-CE1 3.84Å; I47-F60 HydrophobicContact CG2-CZ 3.98Å; D51-F60 HydrophobicContact CB-CD1 4.27Å; D51-F60 HydrophobicContact CB-CD2 4.04Å; D51-F60 HydrophobicContact CB-CE1 4.34Å; D51-F60 HydrophobicContact CB-CE2 4.1Å; D51-F60 HydrophobicContact CB-CG 4.13Å; D51-F60 HydrophobicContact CB-CZ 4.25Å; L52-F60 HydrophobicContact CD2-CD1 4.4Å; L52-F60 HydrophobicContact CD2-CE1 4.35Å; K56-F60 PolarHBondContact O-N 2.8Å; K56-F60 VanDerWaalsContact O-N 3.08Å; R57-F60 PolarHBondContact O-N 3.14Å; F60-R62 VanDerWaalsContact C-N 3.27Å; F60-R62 PolarHBondContact O-N 3.48Å; F60-A63 PolarHBondContact O-N 3.22Å; F60-L64 WeakPolarHBondContact O-CB 3.47Å; F60-L64 PolarHBondContact O-N 3.02Å |
| 61 | L | 91.8 | Very high | 89 | Confident | 71 Ų | 71 | 88.8 Ų | 88.8 | 37% | 0.372 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61.4 | -36.8 | 178.1 | -70.2 | 175.4 | 0 | 0 | 0 | 112.1 | L52 R57 A65 | L52-L61 HydrophobicContact CD2-CD2 4.03Å; R57-L61 HydrophobicContact CG-CD1 4.06Å; R57-L61 HydrophobicContact CG-CG 4.45Å; R57-L61 WeakPolarHBondContact O-CG 3.24Å; R57-L61 PolarHBondContact O-N 3.47Å; L61-A65 WeakPolarHBondContact O-CB 3.19Å; L61-A65 PolarHBondContact O-N 3.25Å |
| 62 | R | 93.4 | Very high | 89.7 | Confident | 173 Ų | 173 | 86.9 Ų | 86.9 | 65% | 0.653 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -66.7 | -42.8 | 176 | -176.2 | -177.8 | -66.4 | 160.1 | -1 | 111.6 | N58 D59 F60 A65 R66 | N58-R62 VanDerWaalsContact O-CB 3.24Å; N58-R62 WeakPolarHBondContact O-CB 3.31Å; N58-R62 PolarHBondContact O-N 2.96Å; D59-R62 PolarHBondContact O-N 3.31Å; F60-R62 VanDerWaalsContact C-N 3.27Å; F60-R62 PolarHBondContact O-N 3.48Å; R62-A65 PolarHBondContact O-N 3.01Å; R62-R66 VanDerWaalsContact O-CB 3.29Å; R62-R66 WeakPolarHBondContact O-CB 3.36Å; R62-R66 PolarHBondContact O-N 3.37Å |
| 63 | A | 91.4 | Very high | 90.4 | Very high | 50 Ų | 50 | 87.3 Ų | 87.3 | 41% | 0.413 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62 | -49.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | D59 F60 A65 R66 D67 | D59-A63 WeakPolarHBondContact O-CB 3.43Å; D59-A63 PolarHBondContact O-N 3.29Å; F60-A63 PolarHBondContact O-N 3.22Å; A63-A65 VanDerWaalsContact C-N 3.34Å; A63-A65 PolarHBondContact O-N 2.77Å; A63-R66 WeakPolarHBondContact O-CB 3.47Å; A63-R66 PolarHBondContact O-N 2.63Å; A63-D67 VanDerWaalsContact O-CG 3.25Å; A63-D67 PolarHBondContact O-N 3.35Å |
| 64 | L | 92.2 | Very high | 91.1 | Very high | 39 Ų | 39 | 80.1 Ų | 80.1 | 20% | 0.204 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -58.2 | -44.1 | 176.7 | -173.3 | 75.6 | 0 | 0 | 0 | 112.4 | I47 F60 D67 N68 | I47-L64 HydrophobicContact CD1-CD2 3.98Å; F60-L64 WeakPolarHBondContact O-CB 3.47Å; F60-L64 PolarHBondContact O-N 3.02Å; L64-D67 PolarHBondContact O-N 3.3Å; L64-N68 PolarHBondContact O-N 2.98Å; L64-N68 VanDerWaalsContact O-N 3.08Å; L64-N68 PolarHBondContact O-ND2 3.28Å |
| 65 | A | 93.7 | Very high | 91.8 | Very high | 51 Ų | 51 | 77.5 Ų | 77.5 | 42% | 0.421 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.9 | -43.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L61 R62 A63 D67 N68 T69 | L61-A65 WeakPolarHBondContact O-CB 3.19Å; L61-A65 PolarHBondContact O-N 3.25Å; R62-A65 PolarHBondContact O-N 3.01Å; A63-A65 VanDerWaalsContact C-N 3.34Å; A63-A65 PolarHBondContact O-N 2.77Å; A65-D67 VanDerWaalsContact C-N 3.32Å; A65-D67 PolarHBondContact O-N 3.09Å; A65-N68 PolarHBondContact O-N 3.16Å; A65-T69 WeakPolarHBondContact O-CB 3.38Å; A65-T69 VanDerWaalsContact O-CG2 3.27Å; A65-T69 WeakPolarHBondContact O-CG2 3.41Å; A65-T69 PolarHBondContact O-N 2.93Å; A65-T69 PolarHBondContact O-OG1 3.5Å |
| 66 | R | 94.1 | Very high | 92.6 | Very high | 90 Ų | 90 | 68.9 Ų | 68.9 | 34% | 0.34 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -57.9 | -45.2 | 176.1 | -179.1 | -127.3 | 69.3 | 118.9 | -11.8 | 111.4 | V26 R62 A63 T69 Q70 | V26-R66 VanDerWaalsContact CG2-NH2 3.28Å; R62-R66 VanDerWaalsContact O-CB 3.29Å; R62-R66 WeakPolarHBondContact O-CB 3.36Å; R62-R66 PolarHBondContact O-N 3.37Å; A63-R66 WeakPolarHBondContact O-CB 3.47Å; A63-R66 PolarHBondContact O-N 2.63Å; R66-T69 PolarHBondContact O-OG1 2.86Å; R66-T69 VanDerWaalsContact O-OG1 3.1Å; R66-Q70 VanDerWaalsContact O-CB 3.31Å; R66-Q70 WeakPolarHBondContact O-CB 3.36Å; R66-Q70 PolarHBondContact O-N 2.93Å |
| 67 | D | 93.4 | Very high | 93 | Very high | 41 Ų | 41 | 71.4 Ų | 71.4 | 22% | 0.219 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.5 | -49 | 178.8 | -72.2 | 19.3 | 0 | 0 | 0 | 111.2 | V26 A63 L64 A65 Q70 L71 | V26-D67 HydrophobicContact CG1-CB 3.86Å; A63-D67 VanDerWaalsContact O-CG 3.25Å; A63-D67 PolarHBondContact O-N 3.35Å; L64-D67 PolarHBondContact O-N 3.3Å; A65-D67 VanDerWaalsContact C-N 3.32Å; A65-D67 PolarHBondContact O-N 3.09Å; D67-Q70 PolarHBondContact O-N 3.05Å; D67-L71 PolarHBondContact O-N 3.44Å |
| 68 | N | 94.9 | Very high | 93.2 | Very high | 27 Ų | 27 | 72.4 Ų | 72.4 | 14% | 0.144 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -68.4 | -41 | -178.8 | -73.2 | -16.7 | 0 | 0 | 0 | 112.8 | K28 L32 D43 L64 A65 Q70 L71 L72 | K28-N68 WeakPolarHBondContact CE-OD1 3.33Å; K28-N68 PolarHBondContact NZ-OD1 3.47Å; L32-N68 HydrophobicContact CD2-CB 4.29Å; L32-N68 WeakPolarHBondContact CD2-OD1 3.5Å; D43-N68 PolarHBondContact OD2-ND2 3.01Å; D43-N68 PolarHBondContact OD2-OD1 3.21Å; L64-N68 PolarHBondContact O-N 2.98Å; L64-N68 VanDerWaalsContact O-N 3.08Å; L64-N68 PolarHBondContact O-ND2 3.28Å; A65-N68 PolarHBondContact O-N 3.16Å; N68-Q70 VanDerWaalsContact C-N 3.35Å; N68-L71 PolarHBondContact O-N 3.5Å; N68-L72 PolarHBondContact O-N 2.95Å |
| 69 | T | 95.1 | Very high | 93.3 | Very high | 72 Ų | 72 | 69.5 Ų | 69.5 | 44% | 0.442 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -68.8 | -35.5 | 177.4 | 55.9 | 0 | 0 | 0 | 0 | 111.7 | A65 R66 L72 I73 | A65-T69 WeakPolarHBondContact O-CB 3.38Å; A65-T69 VanDerWaalsContact O-CG2 3.27Å; A65-T69 WeakPolarHBondContact O-CG2 3.41Å; A65-T69 PolarHBondContact O-N 2.93Å; A65-T69 PolarHBondContact O-OG1 3.5Å; R66-T69 PolarHBondContact O-OG1 2.86Å; R66-T69 VanDerWaalsContact O-OG1 3.1Å; T69-L72 PolarHBondContact O-N 2.95Å; T69-I73 WeakPolarHBondContact O-CB 3.18Å; T69-I73 VanDerWaalsContact O-CG1 3.24Å; T69-I73 WeakPolarHBondContact O-CG1 3.17Å; T69-I73 PolarHBondContact O-N 2.97Å |
| 70 | Q | 94.3 | Very high | 93.4 | Very high | 45 Ų | 45 | 69 Ų | 69 | 21% | 0.21 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.9 | -47.3 | 175.1 | -174.1 | 64.5 | 55.2 | 0 | 0 | 111 | I24 V26 R66 D67 N68 I73 N74 | I24-Q70 VanDerWaalsContact O-CG 3.23Å; I24-Q70 WeakPolarHBondContact O-CG 3.19Å; V26-Q70 HydrophobicContact CG2-CB 4.26Å; V26-Q70 HydrophobicContact CG2-CG 4.22Å; R66-Q70 VanDerWaalsContact O-CB 3.31Å; R66-Q70 WeakPolarHBondContact O-CB 3.36Å; R66-Q70 PolarHBondContact O-N 2.93Å; D67-Q70 PolarHBondContact O-N 3.05Å; N68-Q70 VanDerWaalsContact C-N 3.35Å; Q70-I73 PolarHBondContact O-N 3.16Å; Q70-N74 PolarHBondContact NE2-OD1 3.11Å; Q70-N74 WeakPolarHBondContact O-CB 3.34Å; Q70-N74 PolarHBondContact O-N 3.44Å; Q70-N74 PolarHBondContact O-ND2 2.9Å; Q70-N74 PolarHBondContact O-OD1 3.04Å; Q70-N74 VanDerWaalsContact O-OD1 3.14Å |
| 71 | L | 94.7 | Very high | 93.5 | Very high | 33 Ų | 33 | 70 Ų | 70 | 17% | 0.173 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.2 | -42.8 | 177.5 | -68.1 | 175.5 | 0 | 0 | 0 | 112.1 | V26 K28 L32 F34 D67 N68 I73 N74 E75 | V26-L71 HydrophobicContact CB-CD1 4.43Å; V26-L71 HydrophobicContact CB-CD2 4.14Å; V26-L71 HydrophobicContact CB-CG 4.18Å; K28-L71 HydrophobicContact CD-CD1 4.41Å; L32-L71 HydrophobicContact CD1-CD1 3.95Å; L32-L71 HydrophobicContact CD2-CD1 4.12Å; F34-L71 HydrophobicContact CE1-CB 4.26Å; F34-L71 HydrophobicContact CZ-CB 4.03Å; D67-L71 PolarHBondContact O-N 3.44Å; N68-L71 PolarHBondContact O-N 3.5Å; L71-I73 PolarHBondContact O-N 2.94Å; L71-N74 WeakPolarHBondContact O-CB 3.46Å; L71-N74 PolarHBondContact O-N 3.1Å; L71-E75 PolarHBondContact O-N 3.28Å; L71-E75 VanDerWaalsContact O-N 3.11Å |
| 72 | L | 95 | Very high | 93.5 | Very high | 23 Ų | 23 | 70.6 Ų | 70.6 | 12% | 0.12 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.8 | -44.3 | 176.2 | 177.4 | 63.2 | 0 | 0 | 0 | 112.1 | F34 L39 A41 N68 T69 N74 E75 I76 | F34-L72 HydrophobicContact CD1-CD1 4.14Å; F34-L72 HydrophobicContact CE1-CB 4.48Å; L39-L72 WeakPolarHBondContact O-CD2 3.29Å; A41-L72 HydrophobicContact CB-CB 4.18Å; A41-L72 HydrophobicContact CB-CD1 4.28Å; N68-L72 PolarHBondContact O-N 2.95Å; T69-L72 PolarHBondContact O-N 2.95Å; L72-N74 VanDerWaalsContact C-N 3.33Å; L72-E75 PolarHBondContact O-N 2.95Å; L72-I76 HydrophobicContact CD1-CD1 4.41Å; L72-I76 HydrophobicContact CG-CD1 4.09Å; L72-I76 WeakPolarHBondContact O-CG1 3.42Å; L72-I76 PolarHBondContact O-N 2.99Å |
| 73 | I | 94.8 | Very high | 93.4 | Very high | 73 Ų | 73 | 72.4 Ų | 72.4 | 37% | 0.374 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.4 | -42.4 | 177.6 | -73.4 | 171.8 | 0 | 0 | 0 | 110.1 | T69 Q70 L71 E75 I76 W77 | T69-I73 WeakPolarHBondContact O-CB 3.18Å; T69-I73 VanDerWaalsContact O-CG1 3.24Å; T69-I73 WeakPolarHBondContact O-CG1 3.17Å; T69-I73 PolarHBondContact O-N 2.97Å; Q70-I73 PolarHBondContact O-N 3.16Å; L71-I73 PolarHBondContact O-N 2.94Å; I73-E75 VanDerWaalsContact C-N 3.26Å; I73-E75 PolarHBondContact O-N 2.82Å; I73-I76 PolarHBondContact O-N 3.18Å; I73-I76 VanDerWaalsContact O-N 3.09Å; I73-W77 PolarHBondContact O-N 3.4Å |
| 74 | N | 93.8 | Very high | 93.3 | Very high | 42 Ų | 42 | 73.7 Ų | 73.7 | 23% | 0.225 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -57.3 | -40 | 175.8 | -66.5 | -9.2 | 0 | 0 | 0 | 111.6 | I24 Q70 L71 L72 K78 | I24-N74 PolarHBondContact O-ND2 3.23Å; Q70-N74 PolarHBondContact NE2-OD1 3.11Å; Q70-N74 WeakPolarHBondContact O-CB 3.34Å; Q70-N74 PolarHBondContact O-N 3.44Å; Q70-N74 PolarHBondContact O-ND2 2.9Å; Q70-N74 PolarHBondContact O-OD1 3.04Å; Q70-N74 VanDerWaalsContact O-OD1 3.14Å; L71-N74 WeakPolarHBondContact O-CB 3.46Å; L71-N74 PolarHBondContact O-N 3.1Å; L72-N74 VanDerWaalsContact C-N 3.33Å; N74-K78 WeakPolarHBondContact O-CG 3.27Å; N74-K78 PolarHBondContact O-N 2.91Å |
| 75 | E | 93.1 | Very high | 93.1 | Very high | 58 Ų | 58 | 81 Ų | 81 | 27% | 0.271 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -67.8 | -39 | 174.5 | -69 | -54.1 | 137.2 | 0 | 0 | 113 | F34 V36 L71 L72 I73 W77 K78 | F34-E75 HydrophobicContact CD1-CG 4.14Å; F34-E75 HydrophobicContact CD2-CG 3.92Å; F34-E75 HydrophobicContact CE1-CG 4.12Å; F34-E75 HydrophobicContact CE2-CG 3.9Å; F34-E75 HydrophobicContact CG-CG 4.04Å; F34-E75 HydrophobicContact CZ-CG 4Å; V36-E75 HydrophobicContact CG2-CB 4.4Å; L71-E75 PolarHBondContact O-N 3.28Å; L71-E75 VanDerWaalsContact O-N 3.11Å; L72-E75 PolarHBondContact O-N 2.95Å; I73-E75 VanDerWaalsContact C-N 3.26Å; I73-E75 PolarHBondContact O-N 2.82Å; E75-W77 VanDerWaalsContact C-N 3.34Å; E75-W77 PolarHBondContact O-N 2.84Å; E75-K78 WeakPolarHBondContact O-CB 3.48Å; E75-K78 PolarHBondContact O-N 3.5Å; E75-K78 IonicContact OE1-NZ 2.95Å; E75-K78 PolarHBondContact OE1-NZ 3.33Å; E75-K78 IonicContact OE2-NZ 2.93Å |
| 76 | I | 93.8 | Very high | 92.9 | Very high | 41 Ų | 41 | 87.8 Ų | 87.8 | 21% | 0.21 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -63 | -41.1 | 177.1 | -66.9 | 163.2 | 0 | 0 | 0 | 111 | V36 L39 L72 I73 K78 L79 | V36-I76 HydrophobicContact CG1-CG1 3.98Å; L39-I76 HydrophobicContact CD2-CD1 3.75Å; L39-I76 HydrophobicContact CD2-CG1 4.23Å; L72-I76 HydrophobicContact CD1-CD1 4.41Å; L72-I76 HydrophobicContact CG-CD1 4.09Å; L72-I76 WeakPolarHBondContact O-CG1 3.42Å; L72-I76 PolarHBondContact O-N 2.99Å; I73-I76 PolarHBondContact O-N 3.18Å; I73-I76 VanDerWaalsContact O-N 3.09Å; I76-K78 PolarHBondContact O-N 2.86Å; I76-L79 VanDerWaalsContact O-CB 3.27Å; I76-L79 WeakPolarHBondContact O-CB 3.28Å; I76-L79 WeakPolarHBondContact O-CG 3.48Å; I76-L79 PolarHBondContact O-N 2.97Å; I76-L79 VanDerWaalsContact O-N 3.11Å |
| 77 | W | 92.3 | Very high | 92.7 | Very high | 195 Ų | 195 | 87.9 Ų | 87.9 | 74% | 0.739 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -71.2 | -16 | 179.8 | -75.7 | 107.3 | 0 | 0 | 0 | 114.2 | I73 E75 L79 | I73-W77 PolarHBondContact O-N 3.4Å; E75-W77 VanDerWaalsContact C-N 3.34Å; E75-W77 PolarHBondContact O-N 2.84Å; W77-L79 VanDerWaalsContact C-N 3.26Å |
| 78 | K | 92.8 | Very high | 92.6 | Very high | 146 Ų | 146 | 91.1 Ų | 91.1 | 64% | 0.635 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -15.8 | 170.8 | -68.6 | 169.7 | -173.1 | 175.5 | 0 | 112.7 | N74 E75 I76 | N74-K78 WeakPolarHBondContact O-CG 3.27Å; N74-K78 PolarHBondContact O-N 2.91Å; E75-K78 WeakPolarHBondContact O-CB 3.48Å; E75-K78 PolarHBondContact O-N 3.5Å; E75-K78 IonicContact OE1-NZ 2.95Å; E75-K78 PolarHBondContact OE1-NZ 3.33Å; E75-K78 IonicContact OE2-NZ 2.93Å; I76-K78 PolarHBondContact O-N 2.86Å |
| 79 | L | 93 | Very high | 92.5 | Very high | 36 Ų | 36 | 93.2 Ų | 93.2 | 19% | 0.188 | 46% | 0.458 | C | S | . | . | S | Bend | trans | -72.3 | 152.2 | -177.8 | -64.7 | -180 | 0 | 0 | 0 | 112.3 | V36 I76 W77 T81 A90 L92 | V36-L79 HydrophobicContact CG1-CD1 3.66Å; I76-L79 VanDerWaalsContact O-CB 3.27Å; I76-L79 WeakPolarHBondContact O-CB 3.28Å; I76-L79 WeakPolarHBondContact O-CG 3.48Å; I76-L79 PolarHBondContact O-N 2.97Å; I76-L79 VanDerWaalsContact O-N 3.11Å; W77-L79 VanDerWaalsContact C-N 3.26Å; L79-T81 PolarHBondContact O-N 3.06Å; L79-A90 HydrophobicContact CB-CB 4.41Å; L79-L92 HydrophobicContact CD1-CD2 3.73Å |
| 80 | P | 93.8 | Very high | 92.4 | Very high | 85 Ų | 85 | 91.1 Ų | 91.1 | 55% | 0.552 | 45% | 0.449 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 126.3 | 174.8 | 25.7 | -33.2 | 0 | 0 | 0 | 110.5 | K91 | P80-K91 HydrophobicContact CG-CB 4.38Å; P80-K91 PolarHBondContact O-N 3.26Å |
| 81 | T | 92.4 | Very high | 92.3 | Very high | 78 Ų | 78 | 94.4 Ų | 94.4 | 48% | 0.479 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 139.3 | 176.6 | 52 | 0 | 0 | 0 | 0 | 110.5 | L79 I88 V89 A90 | L79-T81 PolarHBondContact O-N 3.06Å; T81-I88 HydrophobicContact CG2-CG2 4.24Å; T81-V89 CarbonylContact C-O 3.27Å; T81-V89 WeakPolarHBondContact CA-O 3.36Å; T81-A90 HydrophobicContact CG2-CB 4.34Å |
| 82 | E | 92.2 | Very high | 92.2 | Very high | 85 Ų | 85 | 96.8 Ų | 96.8 | 40% | 0.397 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 144.7 | 175 | -68 | -171.4 | 172.4 | 0 | 0 | 109.8 | V89 K91 | E82-V89 PolarHBondContact N-O 2.9Å; E82-V89 PolarHBondContact O-N 3.18Å; E82-K91 HydrophobicContact CG-CD 4.48Å; E82-K91 VanDerWaalsContact OE1-CE 3.27Å; E82-K91 WeakPolarHBondContact OE1-CE 3.25Å; E82-K91 IonicContact OE1-NZ 2.66Å; E82-K91 PolarHBondContact OE1-NZ 3.16Å; E82-K91 WeakPolarHBondContact OE2-CE 3.28Å; E82-K91 IonicContact OE2-NZ 3.56Å; E82-K91 PolarHBondContact OE2-NZ 2.95Å |
| 83 | R | 90.9 | Very high | 92.1 | Very high | 210 Ų | 210 | 98.8 Ų | 98.8 | 79% | 0.792 | 49% | 0.489 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 112 | 169.8 | -71.4 | -176.4 | 178.2 | 174.8 | -0.6 | 108.1 | I88 | R83-I88 HydrophobicContact CG-CG1 4.19Å |
| 84 | V | 88 | Confident | 92.1 | Very high | 78 Ų | 78 | 104 Ų | 104 | 47% | 0.473 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 113.6 | 172.4 | -177.8 | 0 | 0 | 0 | 0 | 106.2 | E86 V87 | V84-E86 PolarHBondContact O-N 3.11Å; V84-E86 VanDerWaalsContact O-N 3.14Å; V84-V87 PolarHBondContact N-O 3.08Å; V84-V87 PolarHBondContact O-N 3.45Å; V84-V87 VanDerWaalsContact O-N 3.08Å |
| 85 | E | 88.4 | Confident | 92.1 | Very high | 191 Ų | 191 | 107.7 Ų | 107.7 | 89% | 0.893 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | -110.3 | -172.1 | -56.1 | 172.3 | -179.6 | 0 | 0 | 111.1 | ||
| 86 | E | 89.8 | Confident | 92 | Very high | 194 Ų | 194 | 110 Ų | 110 | 91% | 0.907 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.5 | 1.8 | 179.9 | -63.9 | -178.3 | 172.9 | 0 | 0 | 113 | V84 | V84-E86 PolarHBondContact O-N 3.11Å; V84-E86 VanDerWaalsContact O-N 3.14Å |
| 87 | V | 91.2 | Very high | 92 | Very high | 93 Ų | 93 | 111.1 Ų | 111.1 | 56% | 0.564 | 56% | 0.555 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -113.3 | 136 | -173.9 | -173.5 | 0 | 0 | 0 | 0 | 111.4 | V84 V89 | V84-V87 PolarHBondContact N-O 3.08Å; V84-V87 PolarHBondContact O-N 3.45Å; V84-V87 VanDerWaalsContact O-N 3.08Å; V87-V89 HydrophobicContact CG1-CG2 4.12Å |
| 88 | I | 91.1 | Very high | 92 | Very high | 108 Ų | 108 | 113.5 Ų | 113.5 | 55% | 0.554 | 56% | 0.564 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -83.2 | 120.2 | 172.7 | -56.7 | 173.1 | 0 | 0 | 0 | 108.1 | T81 R83 | T81-I88 HydrophobicContact CG2-CG2 4.24Å; R83-I88 HydrophobicContact CG-CG1 4.19Å |
| 89 | V | 93 | Very high | 91.9 | Very high | 71 Ų | 71 | 112.1 Ų | 112.1 | 43% | 0.43 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -124.2 | 137.6 | -178.4 | -176.5 | 0 | 0 | 0 | 0 | 109.4 | T81 E82 V87 | T81-V89 CarbonylContact C-O 3.27Å; T81-V89 WeakPolarHBondContact CA-O 3.36Å; E82-V89 PolarHBondContact N-O 2.9Å; E82-V89 PolarHBondContact O-N 3.18Å; V87-V89 HydrophobicContact CG1-CG2 4.12Å |
| 90 | A | 92.1 | Very high | 92 | Very high | 29 Ų | 29 | 116.3 Ų | 116.3 | 24% | 0.24 | 59% | 0.592 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.9 | 137.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | L79 T81 L92 | L79-A90 HydrophobicContact CB-CB 4.41Å; T81-A90 HydrophobicContact CG2-CB 4.34Å; A90-L92 PolarHBondContact O-N 2.72Å |
| 91 | K | 91.8 | Very high | 92.2 | Very high | 113 Ų | 113 | 120.9 Ų | 120.9 | 49% | 0.491 | 60% | 0.598 | S | S | . | * | trans | -81.3 | 105.3 | 172.9 | -79.5 | -178.7 | 163.9 | 167.7 | 0 | 110.4 | P80 E82 | P80-K91 HydrophobicContact CG-CB 4.38Å; P80-K91 PolarHBondContact O-N 3.26Å; E82-K91 HydrophobicContact CG-CD 4.48Å; E82-K91 VanDerWaalsContact OE1-CE 3.27Å; E82-K91 WeakPolarHBondContact OE1-CE 3.25Å; E82-K91 IonicContact OE1-NZ 2.66Å; E82-K91 PolarHBondContact OE1-NZ 3.16Å; E82-K91 WeakPolarHBondContact OE2-CE 3.28Å; E82-K91 IonicContact OE2-NZ 3.56Å; E82-K91 PolarHBondContact OE2-NZ 2.95Å | ||
| 92 | L | 92.8 | Very high | 92.2 | Very high | 84 Ų | 84 | 125.2 Ų | 125.2 | 44% | 0.44 | 61% | 0.613 | S | S | . | * | P | Polyproline II helix | trans | -72.7 | 142.9 | 176.6 | -59.1 | 178.5 | 0 | 0 | 0 | 111.4 | V36 L39 L79 A90 | V36-L92 HydrophobicContact CG1-CD2 4.09Å; L39-L92 HydrophobicContact CD2-CD1 4.28Å; L39-L92 HydrophobicContact CD2-CD2 4.12Å; L79-L92 HydrophobicContact CD1-CD2 3.73Å; A90-L92 PolarHBondContact O-N 2.72Å |
| 93 | P | 93.8 | Very high | 92.4 | Very high | 65 Ų | 65 | 127.4 Ų | 127.4 | 42% | 0.422 | 62% | 0.621 | S | S | . | * | P | Polyproline II helix | trans | -71.8 | 170 | 174.1 | 31.2 | -35.4 | 0 | 0 | 0 | 112.2 | V36 G37 | V36-P93 HydrophobicContact CB-CG 4.08Å; G37-P93 WeakPolarHBondContact CA-O 3.31Å |
| 94 | E | 93.2 | Very high | 92.6 | Very high | 181 Ų | 181 | 122.4 Ų | 122.4 | 85% | 0.846 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 145.6 | 171.5 | -66.5 | -170.6 | 172.4 | 0 | 0 | 111.4 | T96 | E94-T96 PolarHBondContact O-N 2.99Š|
| 95 | Q | 93.9 | Very high | 92.8 | Very high | 121 Ų | 121 | 123 Ų | 123 | 57% | 0.565 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 129.1 | -177.5 | -63.7 | 172.1 | -11 | 0 | 0 | 111.1 | N38 | N38-Q95 VanDerWaalsContact OD1-CG 3.31Å; N38-Q95 WeakPolarHBondContact OD1-CG 3.42Å; N38-Q95 PolarHBondContact OD1-NE2 2.97Å |
| 96 | T | 92.5 | Very high | 93 | Very high | 107 Ų | 107 | 119.7 Ų | 119.7 | 66% | 0.656 | 62% | 0.616 | S | S | * | * | trans | -85.1 | -35.3 | 179.3 | -55.9 | 0 | 0 | 0 | 0 | 111.5 | D35 E94 R98 | D35-T96 PolarHBondContact OD1-N 3.4Å; E94-T96 PolarHBondContact O-N 2.99Å; T96-R98 PolarHBondContact O-N 3.06Å | ||
| 97 | T | 92.2 | Very high | 93 | Very high | 64 Ų | 64 | 119.3 Ų | 119.3 | 39% | 0.393 | 61% | 0.612 | S | S | . | * | S | Bend | trans | -70.5 | 115.5 | -179.5 | -54.6 | 0 | 0 | 0 | 0 | 111 | D35 L99 | D35-T97 WeakPolarHBondContact OD2-CB 3.44Å; D35-T97 PolarHBondContact OD2-N 2.88Å; D35-T97 PolarHBondContact OD2-OG1 3.26Å; T97-L99 HydrophobicContact CG2-CD2 4.18Å; T97-L99 PolarHBondContact O-N 3.19Å; T97-L99 VanDerWaalsContact O-N 3.16Å |
| 98 | R | 92.7 | Very high | 92.9 | Very high | 244 Ų | 244 | 120.6 Ų | 120.6 | 92% | 0.921 | 62% | 0.622 | S | S | * | * | trans | -74.9 | 105 | 179 | -68 | -177.5 | 177.3 | -112.2 | -1.7 | 110.9 | T96 | T96-R98 PolarHBondContact O-N 3.06Š| ||
| 99 | L | 91.6 | Very high | 92.7 | Very high | 117 Ų | 117 | 125 Ų | 125 | 61% | 0.613 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 142.3 | 174.8 | -60.7 | 176.7 | 0 | 0 | 0 | 111.7 | T97 | T97-L99 HydrophobicContact CG2-CD2 4.18Å; T97-L99 PolarHBondContact O-N 3.19Å; T97-L99 VanDerWaalsContact O-N 3.16Å |
| 100 | P | 95.7 | Very high | 92.4 | Very high | 124 Ų | 124 | 125.2 Ų | 125.2 | 81% | 0.805 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 141.2 | 174.1 | 28.7 | -33.8 | 0 | 0 | 0 | 110.6 | ||
| 101 | R | 96.1 | Very high | 92.4 | Very high | 182 Ų | 182 | 127.5 Ų | 127.5 | 69% | 0.687 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 141.8 | 176.4 | -65 | 173.9 | 59.2 | 93.7 | 3.3 | 110.7 | K103 | R101-K103 VanDerWaalsContact C-N 3.31Å; R101-K103 WeakPolarHBondContact CB-O 3.15Å; R101-K103 PolarHBondContact NE-O 3.08Å; R101-K103 PolarHBondContact O-N 3.44Å |
| 102 | E | 94.4 | Very high | 92.4 | Very high | 169 Ų | 169 | 124.3 Ų | 124.3 | 79% | 0.79 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -61.3 | -41.3 | 170.2 | -172.6 | -156.9 | 145.8 | 0 | 0 | 111.6 | ||
| 103 | K | 95.3 | Very high | 92.4 | Very high | 131 Ų | 131 | 126.7 Ų | 126.7 | 57% | 0.57 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -120.3 | 142.4 | -175.2 | -68.8 | 173.8 | -174.6 | 155.7 | 0 | 111.7 | R101 | R101-K103 VanDerWaalsContact C-N 3.31Å; R101-K103 WeakPolarHBondContact CB-O 3.15Å; R101-K103 PolarHBondContact NE-O 3.08Å; R101-K103 PolarHBondContact O-N 3.44Å |
| 104 | P | 94.8 | Very high | 92.3 | Very high | 104 Ų | 104 | 131.4 Ų | 131.4 | 68% | 0.675 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 153.6 | 173 | 26.9 | -34.4 | 0 | 0 | 0 | 110.2 | ||
| 105 | P | 92 | Very high | 92.3 | Very high | 92 Ų | 92 | 127.6 Ų | 127.6 | 60% | 0.597 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -58 | 144.2 | 174.9 | 25.5 | -33.6 | 0 | 0 | 0 | 110.3 | K107 | P105-K107 PolarHBondContact O-N 3.06Å; P105-K107 VanDerWaalsContact O-N 3.16Å |
| 106 | P | 93.8 | Very high | 92.2 | Very high | 120 Ų | 120 | 126.6 Ų | 126.6 | 78% | 0.779 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 123.1 | 179.7 | 25.2 | -33.2 | 0 | 0 | 0 | 109.5 | ||
| 107 | K | 89.4 | Confident | 92.4 | Very high | 186 Ų | 186 | 125.8 Ų | 125.8 | 81% | 0.809 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 140.7 | 178.3 | -64.9 | -178.6 | -177.3 | 178.6 | 0 | 109.5 | P105 K109 | P105-K107 PolarHBondContact O-N 3.06Å; P105-K107 VanDerWaalsContact O-N 3.16Å; K107-K109 PolarHBondContact O-N 2.66Å |
| 108 | P | 88.8 | Confident | 92.5 | Very high | 121 Ų | 121 | 123.3 Ų | 123.3 | 79% | 0.786 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 137.2 | 174.6 | 25.1 | -33.6 | 0 | 0 | 0 | 109.4 | ||
| 109 | K | 86.3 | Confident | 92.6 | Very high | 199 Ų | 199 | 120.5 Ų | 120.5 | 87% | 0.865 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 129 | -179.1 | -67.1 | 179.6 | -178.4 | 175.9 | 0 | 108.9 | K107 | K107-K109 PolarHBondContact O-N 2.66Š|
| 110 | P | 88.3 | Confident | 92.8 | Very high | 76 Ų | 76 | 122 Ų | 122 | 49% | 0.494 | 61% | 0.613 | S | S | . | * | P | Polyproline II helix | trans | -63.7 | 141.1 | 176.6 | 26.2 | -33 | 0 | 0 | 0 | 109.8 | T112 A196 | P110-T112 PolarHBondContact O-N 2.62Å; P110-A196 HydrophobicContact CG-CB 3.51Å |
| 111 | P | 90.8 | Very high | 92.9 | Very high | 77 Ų | 77 | 122.9 Ų | 122.9 | 50% | 0.5 | 60% | 0.604 | S | S | . | * | P | Polyproline II helix | trans | -65.7 | 135.8 | -178.2 | 27 | -34.3 | 0 | 0 | 0 | 110.6 | E115 Q116 | P111-E115 WeakPolarHBondContact CA-OE2 3.22Å; P111-E115 HydrophobicContact CB-CB 4.31Å; P111-Q116 HydrophobicContact CB-CG 4.09Å; P111-Q116 HydrophobicContact CG-CG 4.11Å; P111-Q116 PolarHBondContact O-NE2 3.17Å |
| 112 | T | 92.8 | Very high | 92.8 | Very high | 47 Ų | 47 | 117 Ų | 117 | 29% | 0.288 | 60% | 0.599 | S | S | . | * | P | Polyproline II helix | trans | -67.7 | 160.8 | 173.3 | 63.4 | 0 | 0 | 0 | 0 | 110.9 | P110 W114 E115 Q116 | P110-T112 PolarHBondContact O-N 2.62Å; T112-W114 PolarHBondContact O-N 3.21Å; T112-E115 PolarHBondContact N-OE2 3.03Å; T112-E115 PolarHBondContact O-N 2.71Å; T112-E115 VanDerWaalsContact OG1-CG 3.26Å; T112-E115 WeakPolarHBondContact OG1-CG 3.5Å; T112-E115 PolarHBondContact OG1-N 3.34Å; T112-E115 PolarHBondContact OG1-OE2 3.12Å; T112-Q116 WeakPolarHBondContact O-CG 3.37Å; T112-Q116 PolarHBondContact O-N 3.03Å |
| 113 | K | 91.2 | Very high | 92.8 | Very high | 134 Ų | 134 | 113 Ų | 113 | 58% | 0.583 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -57.5 | -35.1 | 177.7 | -169.8 | 175.2 | -177.4 | 177.7 | 0 | 112.6 | F117 | K113-F117 WeakPolarHBondContact O-CB 3.48Å; K113-F117 PolarHBondContact O-N 2.88Å |
| 114 | W | 92.3 | Very high | 92.7 | Very high | 163 Ų | 163 | 114.7 Ų | 114.7 | 62% | 0.617 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -69.3 | -40.3 | 175.8 | 177.8 | -106 | 0 | 0 | 0 | 112 | T112 F117 A118 | T112-W114 PolarHBondContact O-N 3.21Å; W114-F117 AromaticContact CE3-CD1 3.82Å; W114-F117 HydrophobicContact CE3-CD1 3.82Å; W114-F117 HydrophobicContact CE3-CE1 4.46Å; W114-F117 HydrophobicContact CH2-CD1 4.07Å; W114-F117 HydrophobicContact CH2-CE1 4.05Å; W114-F117 AromaticContact CZ3-CD1 3.51Å; W114-F117 HydrophobicContact CZ3-CD1 3.51Å; W114-F117 AromaticContact CZ3-CE1 3.7Å; W114-F117 HydrophobicContact CZ3-CE1 3.7Å; W114-F117 PolarHBondContact O-N 3.45Å; W114-A118 VanDerWaalsContact O-CB 3.26Å; W114-A118 WeakPolarHBondContact O-CB 3.41Å; W114-A118 PolarHBondContact O-N 3.26Å |
| 115 | E | 92.8 | Very high | 92.6 | Very high | 102 Ų | 102 | 119.8 Ų | 119.8 | 48% | 0.477 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -67.3 | -38.1 | 176.2 | -72.1 | 161.5 | 163 | 0 | 0 | 112 | P111 T112 A118 K119 | P111-E115 WeakPolarHBondContact CA-OE2 3.22Å; P111-E115 HydrophobicContact CB-CB 4.31Å; T112-E115 PolarHBondContact N-OE2 3.03Å; T112-E115 PolarHBondContact O-N 2.71Å; T112-E115 VanDerWaalsContact OG1-CG 3.26Å; T112-E115 WeakPolarHBondContact OG1-CG 3.5Å; T112-E115 PolarHBondContact OG1-N 3.34Å; T112-E115 PolarHBondContact OG1-OE2 3.12Å; E115-A118 PolarHBondContact O-N 3.33Å; E115-K119 WeakPolarHBondContact O-CB 3.24Å; E115-K119 PolarHBondContact O-N 3.17Å |
| 116 | Q | 93.3 | Very high | 92.6 | Very high | 100 Ų | 100 | 123.6 Ų | 123.6 | 47% | 0.467 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -59.4 | -48.2 | 171.3 | -67.5 | 173.3 | 2.5 | 0 | 0 | 110.7 | P111 T112 K119 L120 | P111-Q116 HydrophobicContact CB-CG 4.09Å; P111-Q116 HydrophobicContact CG-CG 4.11Å; P111-Q116 PolarHBondContact O-NE2 3.17Å; T112-Q116 WeakPolarHBondContact O-CG 3.37Å; T112-Q116 PolarHBondContact O-N 3.03Å; Q116-K119 PolarHBondContact O-N 3.15Å; Q116-L120 VanDerWaalsContact O-CG 3.29Å; Q116-L120 WeakPolarHBondContact O-CG 3.36Å; Q116-L120 PolarHBondContact O-N 3.11Å |
| 117 | F | 95.4 | Very high | 92.5 | Very high | 89 Ų | 89 | 128 Ų | 128 | 39% | 0.39 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -62.6 | -45.1 | 176.6 | 175.2 | -97.7 | 0 | 0 | 0 | 112.5 | K113 W114 K119 L120 K121 I123 | K113-F117 WeakPolarHBondContact O-CB 3.48Å; K113-F117 PolarHBondContact O-N 2.88Å; W114-F117 AromaticContact CE3-CD1 3.82Å; W114-F117 HydrophobicContact CE3-CD1 3.82Å; W114-F117 HydrophobicContact CE3-CE1 4.46Å; W114-F117 HydrophobicContact CH2-CD1 4.07Å; W114-F117 HydrophobicContact CH2-CE1 4.05Å; W114-F117 AromaticContact CZ3-CD1 3.51Å; W114-F117 HydrophobicContact CZ3-CD1 3.51Å; W114-F117 AromaticContact CZ3-CE1 3.7Å; W114-F117 HydrophobicContact CZ3-CE1 3.7Å; W114-F117 PolarHBondContact O-N 3.45Å; F117-K119 VanDerWaalsContact C-N 3.31Å; F117-K119 PolarHBondContact O-N 3.48Å; F117-L120 PolarHBondContact O-N 3.47Å; F117-K121 HydrophobicContact CD2-CG 4.22Å; F117-K121 HydrophobicContact CE1-CG 4.08Å; F117-K121 HydrophobicContact CE2-CG 3.75Å; F117-K121 HydrophobicContact CZ-CG 3.67Å; F117-K121 WeakPolarHBondContact O-CB 3.41Å; F117-K121 PolarHBondContact O-N 3.3Å; F117-I123 HydrophobicContact CD1-CD1 4.4Å; F117-I123 HydrophobicContact CE1-CD1 3.92Å |
| 118 | A | 95.5 | Very high | 92.5 | Very high | 13 Ų | 13 | 126.9 Ų | 126.9 | 11% | 0.107 | 61% | 0.613 | C | S | . | * | H | α-helix | trans | -61.8 | -40.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | W114 E115 K121 G122 I123 | W114-A118 VanDerWaalsContact O-CB 3.26Å; W114-A118 WeakPolarHBondContact O-CB 3.41Å; W114-A118 PolarHBondContact O-N 3.26Å; E115-A118 PolarHBondContact O-N 3.33Å; A118-K121 CarbonylContact O-C 3.53Å; A118-K121 PolarHBondContact O-N 3.15Å; A118-G122 CarbonylContact O-C 3.57Å; A118-G122 PolarHBondContact O-N 3.4Å; A118-I123 HydrophobicContact CB-CB 4.12Å; A118-I123 PolarHBondContact O-N 3.48Å |
| 119 | K | 94.4 | Very high | 92.7 | Very high | 184 Ų | 184 | 125.8 Ų | 125.8 | 80% | 0.8 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -63.3 | -46.1 | 174.2 | -171.2 | 178.5 | -178.5 | -178.5 | 0 | 111.6 | E115 Q116 F117 K121 G122 | E115-K119 WeakPolarHBondContact O-CB 3.24Å; E115-K119 PolarHBondContact O-N 3.17Å; Q116-K119 PolarHBondContact O-N 3.15Å; F117-K119 VanDerWaalsContact C-N 3.31Å; F117-K119 PolarHBondContact O-N 3.48Å; K119-K121 VanDerWaalsContact C-N 3.29Å; K119-K121 PolarHBondContact O-N 2.97Å; K119-G122 PolarHBondContact O-N 2.93Å |
| 120 | L | 96.3 | Very high | 92.9 | Very high | 150 Ų | 150 | 119.4 Ų | 119.4 | 79% | 0.785 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -62.8 | -34.3 | 177.8 | -72 | 172.7 | 0 | 0 | 0 | 112.9 | Q116 F117 | Q116-L120 VanDerWaalsContact O-CG 3.29Å; Q116-L120 WeakPolarHBondContact O-CG 3.36Å; Q116-L120 PolarHBondContact O-N 3.11Å; F117-L120 PolarHBondContact O-N 3.47Å |
| 121 | K | 96.8 | Very high | 93.1 | Very high | 142 Ų | 142 | 119.9 Ų | 119.9 | 62% | 0.617 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | 1.2 | 178.9 | -68.3 | -62.2 | -171.8 | -179.3 | 0 | 113.9 | F117 A118 K119 I123 | F117-K121 HydrophobicContact CD2-CG 4.22Å; F117-K121 HydrophobicContact CE1-CG 4.08Å; F117-K121 HydrophobicContact CE2-CG 3.75Å; F117-K121 HydrophobicContact CZ-CG 3.67Å; F117-K121 WeakPolarHBondContact O-CB 3.41Å; F117-K121 PolarHBondContact O-N 3.3Å; A118-K121 CarbonylContact O-C 3.53Å; A118-K121 PolarHBondContact O-N 3.15Å; K119-K121 VanDerWaalsContact C-N 3.29Å; K119-K121 PolarHBondContact O-N 2.97Å; K121-I123 HydrophobicContact CB-CD1 3.87Å; K121-I123 HydrophobicContact CB-CG1 3.82Å; K121-I123 PolarHBondContact O-N 3.36Å |
| 122 | G | 94.1 | Very high | 93.2 | Very high | 57 Ų | 57 | 117.8 Ų | 117.8 | 59% | 0.588 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 62.7 | 22.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | A118 K119 Q124 | A118-G122 CarbonylContact O-C 3.57Å; A118-G122 PolarHBondContact O-N 3.4Å; K119-G122 PolarHBondContact O-N 2.93Å; G122-Q124 PolarHBondContact O-N 3Å; G122-Q124 VanDerWaalsContact O-N 3.15Å |
| 123 | I | 95.2 | Very high | 93.2 | Very high | 87 Ų | 87 | 121.1 Ų | 121.1 | 45% | 0.446 | 57% | 0.571 | S | S | . | * | trans | -74.6 | 108.1 | -179.3 | -59.2 | 170.5 | 0 | 0 | 0 | 108.7 | F117 A118 K121 | F117-I123 HydrophobicContact CD1-CD1 4.4Å; F117-I123 HydrophobicContact CE1-CD1 3.92Å; A118-I123 HydrophobicContact CB-CB 4.12Å; A118-I123 PolarHBondContact O-N 3.48Å; K121-I123 HydrophobicContact CB-CD1 3.87Å; K121-I123 HydrophobicContact CB-CG1 3.82Å; K121-I123 PolarHBondContact O-N 3.36Å | ||
| 124 | Q | 92.8 | Very high | 93.2 | Very high | 165 Ų | 165 | 115.2 Ų | 115.2 | 77% | 0.771 | 55% | 0.546 | S | S | * | . | trans | -79.2 | 135.9 | 177 | -64.7 | -177.2 | -10.8 | 0 | 0 | 111.8 | G122 K126 | G122-Q124 PolarHBondContact O-N 3Å; G122-Q124 VanDerWaalsContact O-N 3.15Å; Q124-K126 PolarHBondContact O-N 3.41Å | ||
| 125 | K | 91.5 | Very high | 93.1 | Very high | 211 Ų | 211 | 115.1 Ų | 115.1 | 92% | 0.917 | 55% | 0.552 | S | S | * | * | trans | -74.4 | 106 | 176.4 | -176.3 | -178.2 | 178.4 | -177.7 | 0 | 110 | ||||
| 126 | K | 93.1 | Very high | 92.8 | Very high | 173 Ų | 173 | 116.2 Ų | 116.2 | 75% | 0.752 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 136.4 | 172.7 | -61.9 | -175.8 | 179.6 | -176.3 | 0 | 111.2 | Q124 K128 | Q124-K126 PolarHBondContact O-N 3.41Å; K126-K128 PolarHBondContact O-N 3.26Å |
| 127 | K | 92 | Very high | 92.4 | Very high | 213 Ų | 213 | 112.8 Ų | 112.8 | 93% | 0.926 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 123.4 | 171.8 | -172.5 | 178.1 | -179.9 | -178.3 | 0 | 108.5 | ||
| 128 | K | 89.5 | Confident | 92.2 | Very high | 162 Ų | 162 | 116.3 Ų | 116.3 | 70% | 0.704 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 133.6 | 173.4 | -64.3 | -174.1 | -179.4 | -176.2 | 0 | 109.1 | K126 | K126-K128 PolarHBondContact O-N 3.26Š|
| 129 | T | 92.1 | Very high | 92.1 | Very high | 97 Ų | 97 | 120.8 Ų | 120.8 | 60% | 0.595 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 150.6 | 173 | 53.2 | 0 | 0 | 0 | 0 | 110.9 | L131 R143 | T129-L131 PolarHBondContact OG1-O 3.06Å; T129-L131 VanDerWaalsContact OG1-O 3.14Å; T129-R143 PolarHBondContact O-NE 2.92Å; T129-R143 VanDerWaalsContact O-NE 3.16Å; T129-R143 PolarHBondContact O-NH2 3.08Å |
| 130 | N | 90.6 | Very high | 92 | Very high | 65 Ų | 65 | 119.7 Ų | 119.7 | 35% | 0.348 | 58% | 0.58 | S | S | . | * | S | Bend | trans | -75.5 | -34.9 | 176.9 | -166.6 | 10.5 | 0 | 0 | 0 | 111.4 | R142 R143 | N130-R142 CarbonylContact O-C 3.53Å; N130-R142 WeakPolarHBondContact O-CA 3.21Å; N130-R143 WeakPolarHBondContact O-CB 3.33Å; N130-R143 PolarHBondContact O-N 3.01Å |
| 131 | L | 92.8 | Very high | 91.8 | Very high | 86 Ų | 86 | 115.6 Ų | 115.6 | 45% | 0.45 | 55% | 0.554 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.7 | 136.7 | 177.8 | -74 | 74.5 | 0 | 0 | 0 | 110.4 | T129 W140 R141 | T129-L131 PolarHBondContact OG1-O 3.06Å; T129-L131 VanDerWaalsContact OG1-O 3.14Å; L131-W140 HydrophobicContact CB-CB 4.41Å; L131-W140 HydrophobicContact CB-CE3 4.02Å; L131-W140 HydrophobicContact CD2-CB 3.87Å; L131-R141 CarbonylContact C-O 3.59Å; L131-R141 WeakPolarHBondContact CA-O 3.48Å |
| 132 | V | 93.5 | Very high | 91.7 | Very high | 34 Ų | 34 | 116 Ų | 116 | 21% | 0.206 | 55% | 0.552 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -133.4 | 131.7 | 177.8 | -178.6 | 0 | 0 | 0 | 0 | 106.8 | D134 R141 R143 A149 | V132-D134 PolarHBondContact O-N 3.06Å; V132-R141 PolarHBondContact N-O 3.27Å; V132-R141 PolarHBondContact O-N 3.24Å; V132-R141 VanDerWaalsContact O-O 3.05Å; V132-R143 HydrophobicContact CG2-CB 3.92Å; V132-R143 HydrophobicContact CG2-CG 4.19Å; V132-R143 VanDerWaalsContact CG2-NH2 3.33Å; V132-A149 HydrophobicContact CB-CB 4.08Å; V132-A149 HydrophobicContact CG1-CB 4.29Å |
| 133 | W | 92.3 | Very high | 91.6 | Very high | 116 Ų | 116 | 118.6 Ų | 118.6 | 44% | 0.439 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 126 | 174.6 | -175.3 | -106.2 | 0 | 0 | 0 | 109.9 | K138 W140 | W133-K138 HydrophobicContact CH2-CB 4.43Å; W133-K138 WeakPolarHBondContact CH2-O 3.48Å; W133-K138 HydrophobicContact CZ2-CB 4.09Å; W133-W140 HydrophobicContact CB-CD2 4.44Å; W133-W140 HydrophobicContact CB-CE3 4.18Å; W133-W140 HydrophobicContact CB-CH2 4.2Å; W133-W140 HydrophobicContact CB-CZ2 4.44Å; W133-W140 HydrophobicContact CB-CZ3 4.06Å; W133-W140 AromaticContact CE3-CD1 3.62Å; W133-W140 AromaticContact CE3-CD2 3.92Å; W133-W140 HydrophobicContact CE3-CD2 3.92Å; W133-W140 AromaticContact CE3-CE2 3.73Å; W133-W140 AromaticContact CE3-CG 3.86Å; W133-W140 HydrophobicContact CE3-CG 3.86Å; W133-W140 HydrophobicContact CE3-CZ2 4.38Å; W133-W140 AromaticContact CE3-NE1 3.52Å; W133-W140 AromaticContact CZ3-CD1 3.68Å; W133-W140 HydrophobicContact CZ3-CG 4.3Å; W133-W140 AromaticContact CZ3-NE1 3.72Å; W133-W140 VanDerWaalsContact N-CE3 3.32Å |
| 134 | D | 90.2 | Very high | 91.3 | Very high | 10 Ų | 10 | 123.1 Ų | 123.1 | 5% | 0.053 | 56% | 0.555 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -100 | 109 | 174.5 | -171.2 | -7 | 0 | 0 | 0 | 108.5 | V132 T136 A137 K138 E139 R141 A149 | V132-D134 PolarHBondContact O-N 3.06Å; D134-T136 PolarHBondContact O-N 3.47Å; D134-T136 PolarHBondContact OD1-N 3.39Å; D134-T136 PolarHBondContact OD1-OG1 2.75Å; D134-A137 HydrophobicContact CB-CB 4.33Å; D134-A137 PolarHBondContact O-N 3.24Å; D134-K138 WeakPolarHBondContact O-CA 3.33Å; D134-K138 PolarHBondContact O-N 3.39Å; D134-E139 PolarHBondContact N-O 2.99Å; D134-E139 PolarHBondContact O-N 3.32Å; D134-R141 HydrophobicContact CB-CB 4.37Å; D134-R141 HydrophobicContact CB-CG 4.34Å; D134-R141 WeakPolarHBondContact OD2-CD 3.34Å; D134-R141 IonicContact OD2-CZ 3.96Å; D134-R141 IonicContact OD2-NE 3.45Å; D134-R141 IonicContact OD2-NH1 3.56Å; D134-R141 PolarHBondContact OD2-NH1 3.3Å; D134-R141 VanDerWaalsContact OD2-NH1 3.08Å; D134-A149 HydrophobicContact CB-CB 4.25Å |
| 135 | E | 90.4 | Very high | 91.2 | Very high | 161 Ų | 161 | 117.2 Ų | 117.2 | 75% | 0.752 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -31.4 | -177.6 | -69.7 | 169.5 | -171.9 | 0 | 0 | 112.4 | ||
| 136 | T | 86.6 | Confident | 91.1 | Very high | 125 Ų | 125 | 116.3 Ų | 116.3 | 77% | 0.767 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -41.4 | -178.4 | 62.6 | 0 | 0 | 0 | 0 | 112.2 | D134 | D134-T136 PolarHBondContact O-N 3.47Å; D134-T136 PolarHBondContact OD1-N 3.39Å; D134-T136 PolarHBondContact OD1-OG1 2.75Å |
| 137 | A | 84.9 | Confident | 90.8 | Very high | 29 Ų | 29 | 113.3 Ų | 113.3 | 24% | 0.24 | 52% | 0.518 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -10.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | D134 E139 | D134-A137 HydrophobicContact CB-CB 4.33Å; D134-A137 PolarHBondContact O-N 3.24Å; A137-E139 HydrophobicContact CB-CB 4.39Å; A137-E139 PolarHBondContact O-N 3.24Å |
| 138 | K | 91.3 | Very high | 90.7 | Very high | 162 Ų | 162 | 106 Ų | 106 | 70% | 0.704 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 40 | -173.1 | -57 | 179.7 | -177.2 | 179.1 | 0 | 112.4 | W133 D134 | W133-K138 HydrophobicContact CH2-CB 4.43Å; W133-K138 WeakPolarHBondContact CH2-O 3.48Å; W133-K138 HydrophobicContact CZ2-CB 4.09Å; D134-K138 WeakPolarHBondContact O-CA 3.33Å; D134-K138 PolarHBondContact O-N 3.39Å |
| 139 | E | 93.3 | Very high | 90.6 | Very high | 107 Ų | 107 | 98.7 Ų | 98.7 | 50% | 0.5 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 150.4 | -176.3 | -76.8 | 175.6 | 169.1 | 0 | 0 | 111 | D134 A137 R141 | D134-E139 PolarHBondContact N-O 2.99Å; D134-E139 PolarHBondContact O-N 3.32Å; A137-E139 HydrophobicContact CB-CB 4.39Å; A137-E139 PolarHBondContact O-N 3.24Å; E139-R141 HydrophobicContact CB-CG 4.46Å; E139-R141 PolarHBondContact O-N 2.91Å; E139-R141 IonicContact OE2-CZ 3.97Å; E139-R141 IonicContact OE2-NE 2.84Å; E139-R141 IonicContact OE2-NH2 3.65Å; E139-R141 PolarHBondContact OE2-NH2 3.5Å |
| 140 | W | 92.3 | Very high | 90.1 | Very high | 162 Ų | 162 | 101.8 Ų | 101.8 | 61% | 0.614 | 46% | 0.46 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 111.4 | 168.6 | -72.4 | 98.8 | 0 | 0 | 0 | 110.6 | L131 W133 | L131-W140 HydrophobicContact CB-CB 4.41Å; L131-W140 HydrophobicContact CB-CE3 4.02Å; L131-W140 HydrophobicContact CD2-CB 3.87Å; W133-W140 HydrophobicContact CB-CD2 4.44Å; W133-W140 HydrophobicContact CB-CE3 4.18Å; W133-W140 HydrophobicContact CB-CH2 4.2Å; W133-W140 HydrophobicContact CB-CZ2 4.44Å; W133-W140 HydrophobicContact CB-CZ3 4.06Å; W133-W140 AromaticContact CE3-CD1 3.62Å; W133-W140 AromaticContact CE3-CD2 3.92Å; W133-W140 HydrophobicContact CE3-CD2 3.92Å; W133-W140 AromaticContact CE3-CE2 3.73Å; W133-W140 AromaticContact CE3-CG 3.86Å; W133-W140 HydrophobicContact CE3-CG 3.86Å; W133-W140 HydrophobicContact CE3-CZ2 4.38Å; W133-W140 AromaticContact CE3-NE1 3.52Å; W133-W140 AromaticContact CZ3-CD1 3.68Å; W133-W140 HydrophobicContact CZ3-CG 4.3Å; W133-W140 AromaticContact CZ3-NE1 3.72Å; W133-W140 VanDerWaalsContact N-CE3 3.32Å |
| 141 | R | 93 | Very high | 89.8 | Confident | 63 Ų | 63 | 100.3 Ų | 100.3 | 24% | 0.238 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 158.7 | 180 | -73.6 | -177.8 | 173.4 | 175.5 | -1.5 | 112 | L131 V132 D134 E139 K147 A149 | L131-R141 CarbonylContact C-O 3.59Å; L131-R141 WeakPolarHBondContact CA-O 3.48Å; V132-R141 PolarHBondContact N-O 3.27Å; V132-R141 PolarHBondContact O-N 3.24Å; V132-R141 VanDerWaalsContact O-O 3.05Å; D134-R141 HydrophobicContact CB-CB 4.37Å; D134-R141 HydrophobicContact CB-CG 4.34Å; D134-R141 WeakPolarHBondContact OD2-CD 3.34Å; D134-R141 IonicContact OD2-CZ 3.96Å; D134-R141 IonicContact OD2-NE 3.45Å; D134-R141 IonicContact OD2-NH1 3.56Å; D134-R141 PolarHBondContact OD2-NH1 3.3Å; D134-R141 VanDerWaalsContact OD2-NH1 3.08Å; E139-R141 HydrophobicContact CB-CG 4.46Å; E139-R141 PolarHBondContact O-N 2.91Å; E139-R141 IonicContact OE2-CZ 3.97Å; E139-R141 IonicContact OE2-NE 2.84Å; E139-R141 IonicContact OE2-NH2 3.65Å; E139-R141 PolarHBondContact OE2-NH2 3.5Å; R141-K147 WeakPolarHBondContact CD-O 3.46Å; R141-A149 HydrophobicContact CB-CB 4.07Å |
| 142 | R | 93.9 | Very high | 89.3 | Confident | 152 Ų | 152 | 99.3 Ų | 99.3 | 57% | 0.574 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 146.4 | 178.1 | -65.2 | -175.3 | 174.5 | -165.5 | -0.2 | 110.2 | N130 W144 R148 A149 | N130-R142 CarbonylContact O-C 3.53Å; N130-R142 WeakPolarHBondContact O-CA 3.21Å; R142-W144 WeakPolarHBondContact CB-O 3.44Å; R142-W144 PolarHBondContact O-N 3.39Å; R142-R148 CarbonylContact O-C 3.59Å; R142-R148 WeakPolarHBondContact O-CA 3.33Å; R142-R148 WeakPolarHBondContact O-CB 3.34Å; R142-A149 PolarHBondContact O-N 3.25Å |
| 143 | R | 91.7 | Very high | 88.7 | Confident | 110 Ų | 110 | 102.2 Ų | 102.2 | 42% | 0.415 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -67.4 | -27.6 | 177.8 | -174.4 | -179.8 | -64.7 | -81.4 | 1.2 | 112.5 | T129 N130 V132 | T129-R143 PolarHBondContact O-NE 2.92Å; T129-R143 VanDerWaalsContact O-NE 3.16Å; T129-R143 PolarHBondContact O-NH2 3.08Å; N130-R143 WeakPolarHBondContact O-CB 3.33Å; N130-R143 PolarHBondContact O-N 3.01Å; V132-R143 HydrophobicContact CG2-CB 3.92Å; V132-R143 HydrophobicContact CG2-CG 4.19Å; V132-R143 VanDerWaalsContact CG2-NH2 3.33Å |
| 144 | W | 90.2 | Very high | 88.2 | Confident | 182 Ų | 182 | 103.2 Ų | 103.2 | 69% | 0.689 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -147.9 | 161.4 | 179.1 | 60.1 | -84.5 | 0 | 0 | 0 | 109.6 | R142 | R142-W144 WeakPolarHBondContact CB-O 3.44Å; R142-W144 PolarHBondContact O-N 3.39Å |
| 145 | G | 90.3 | Very high | 87.9 | Confident | 41 Ų | 41 | 105.9 Ų | 105.9 | 42% | 0.423 | 49% | 0.487 | S | S | . | . | S | Bend | trans | 96.4 | -155.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 146 | Y | 88.3 | Confident | 87.6 | Confident | 193 Ų | 193 | 109 Ų | 109 | 76% | 0.757 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | 136.9 | -179.5 | -176.9 | -111.4 | 0 | 0 | 0 | 111.4 | R148 | Y146-R148 PolarHBondContact O-N 2.92Š|
| 147 | K | 87.1 | Confident | 87.4 | Confident | 110 Ų | 110 | 108 Ų | 108 | 48% | 0.478 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.1 | 45 | -176 | -66.3 | 179.4 | 178 | -176.6 | 0 | 112.5 | R141 | R141-K147 WeakPolarHBondContact CD-O 3.46Š|
| 148 | R | 90.6 | Very high | 87.4 | Confident | 58 Ų | 58 | 108.6 Ų | 108.6 | 22% | 0.219 | 48% | 0.48 | C | S | . | . | trans | -66 | 151.3 | 179.1 | 67.6 | 173.4 | -174.7 | -93.6 | -12.3 | 111.6 | R142 Y146 D151 | R142-R148 CarbonylContact O-C 3.59Å; R142-R148 WeakPolarHBondContact O-CA 3.33Å; R142-R148 WeakPolarHBondContact O-CB 3.34Å; Y146-R148 PolarHBondContact O-N 2.92Å; R148-D151 HydrophobicContact CG-CB 4.24Å; R148-D151 IonicContact CZ-OD1 2.87Å; R148-D151 IonicContact NE-OD1 3.79Å; R148-D151 IonicContact NH1-OD1 3.28Å; R148-D151 IonicContact NH2-OD1 2.6Å; R148-D151 PolarHBondContact NH2-OD1 2.93Å | ||
| 149 | A | 87.1 | Confident | 87 | Confident | 10 Ų | 10 | 109.1 Ų | 109.1 | 8% | 0.083 | 49% | 0.485 | C | S | . | . | S | Bend | trans | -60.3 | 141.9 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | V132 D134 R141 R142 | V132-A149 HydrophobicContact CB-CB 4.08Å; V132-A149 HydrophobicContact CG1-CB 4.29Å; D134-A149 HydrophobicContact CB-CB 4.25Å; R141-A149 HydrophobicContact CB-CB 4.07Å; R142-A149 PolarHBondContact O-N 3.25Å |
| 150 | K | 82.9 | Confident | 86.6 | Confident | 162 Ų | 162 | 107.7 Ų | 107.7 | 70% | 0.704 | 48% | 0.483 | S | S | * | . | S | Bend | trans | 54.5 | 66.4 | -177.5 | -55.8 | -173.2 | 178.8 | -166.3 | 0 | 112.1 | D152 | K150-D152 PolarHBondContact O-N 3.12Š|
| 151 | D | 83.6 | Confident | 86.1 | Confident | 33 Ų | 33 | 103.5 Ų | 103.5 | 18% | 0.176 | 48% | 0.477 | C | S | . | . | trans | -90.8 | 85.3 | -178.1 | -166.7 | 22.1 | 0 | 0 | 0 | 112.7 | R148 T153 K154 | R148-D151 HydrophobicContact CG-CB 4.24Å; R148-D151 IonicContact CZ-OD1 2.87Å; R148-D151 IonicContact NE-OD1 3.79Å; R148-D151 IonicContact NH1-OD1 3.28Å; R148-D151 IonicContact NH2-OD1 2.6Å; R148-D151 PolarHBondContact NH2-OD1 2.93Å; D151-T153 PolarHBondContact O-N 2.86Å; D151-T153 PolarHBondContact OD1-OG1 3.43Å; D151-T153 PolarHBondContact OD2-OG1 3.02Å; D151-K154 PolarHBondContact O-N 3.25Å; D151-K154 VanDerWaalsContact O-N 3.13Å; D151-K154 WeakPolarHBondContact OD2-CE 3.46Å | ||
| 152 | D | 81.6 | Confident | 85.3 | Confident | 66 Ų | 66 | 110.2 Ų | 110.2 | 35% | 0.353 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | 2.2 | -178.4 | -30.8 | -35.7 | 0 | 0 | 0 | 116.3 | K150 D155 R174 | K150-D152 PolarHBondContact O-N 3.12Å; D152-D155 WeakPolarHBondContact CA-OD2 3.4Å; D152-R174 VanDerWaalsContact CB-CZ 3.4Å; D152-R174 IonicContact OD1-NH2 3.95Å; D152-R174 IonicContact OD2-CZ 2.75Å; D152-R174 IonicContact OD2-NE 2.66Å; D152-R174 IonicContact OD2-NH2 2.62Å; D152-R174 PolarHBondContact OD2-NH2 3.45Å |
| 153 | T | 81.7 | Confident | 84.6 | Confident | 95 Ų | 95 | 110 Ų | 110 | 58% | 0.583 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -11.6 | 175.8 | 54.4 | 0 | 0 | 0 | 0 | 113.2 | D151 | D151-T153 PolarHBondContact O-N 2.86Å; D151-T153 PolarHBondContact OD1-OG1 3.43Å; D151-T153 PolarHBondContact OD2-OG1 3.02Å |
| 154 | K | 81.9 | Confident | 83.8 | Confident | 136 Ų | 136 | 106 Ų | 106 | 59% | 0.591 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -99.5 | -0.1 | 179.4 | -63.5 | -176.4 | -177.6 | -178 | 0 | 113 | D151 W156 | D151-K154 PolarHBondContact O-N 3.25Å; D151-K154 VanDerWaalsContact O-N 3.13Å; D151-K154 WeakPolarHBondContact OD2-CE 3.46Å; K154-W156 PolarHBondContact O-N 3.31Å |
| 155 | D | 84.1 | Confident | 83.2 | Confident | 67 Ų | 67 | 101.7 Ų | 101.7 | 36% | 0.358 | 51% | 0.507 | S | S | . | . | trans | -62 | 117.6 | 175.2 | -58.4 | -15.6 | 0 | 0 | 0 | 108.2 | D152 F171 | D152-D155 WeakPolarHBondContact CA-OD2 3.4Å; D155-F171 WeakPolarHBondContact O-CE1 3.41Å | ||
| 156 | W | 83 | Confident | 82.4 | Confident | 225 Ų | 225 | 105.1 Ų | 105.1 | 85% | 0.852 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -85 | -16.6 | -177.8 | 59.9 | -89 | 0 | 0 | 0 | 112.5 | K154 | K154-W156 PolarHBondContact O-N 3.31Š|
| 157 | L | 83.2 | Confident | 82 | Confident | 106 Ų | 106 | 103.1 Ų | 103.1 | 56% | 0.555 | 53% | 0.525 | S | S | * | . | trans | -141.8 | 138 | 178.9 | -179.8 | 66.3 | 0 | 0 | 0 | 109.3 | ||||
| 158 | I | 84 | Confident | 81.7 | Confident | 40 Ų | 40 | 101.5 Ų | 101.5 | 21% | 0.205 | 52% | 0.519 | C | S | . | . | trans | -123.7 | 123 | 170.3 | -63.6 | 176 | 0 | 0 | 0 | 106.8 | V160 Q170 F171 | I158-V160 PolarHBondContact O-N 3.47Å; I158-Q170 HydrophobicContact CB-CB 4.39Å; I158-Q170 HydrophobicContact CG2-CB 3.91Å; I158-Q170 HydrophobicContact CG2-CG 4.47Å; I158-F171 HydrophobicContact CB-CE2 4.5Å; I158-F171 HydrophobicContact CB-CZ 4.36Å; I158-F171 HydrophobicContact CD1-CD1 3.41Å; I158-F171 VanDerWaalsContact CD1-CD1 3.41Å; I158-F171 HydrophobicContact CD1-CD2 4.18Å; I158-F171 HydrophobicContact CD1-CE1 3.35Å; I158-F171 HydrophobicContact CD1-CE2 4.12Å; I158-F171 HydrophobicContact CD1-CG 3.84Å; I158-F171 HydrophobicContact CD1-CZ 3.74Å; I158-F171 HydrophobicContact CG1-CD1 4.27Å; I158-F171 HydrophobicContact CG1-CE1 3.71Å; I158-F171 HydrophobicContact CG1-CE2 4.21Å; I158-F171 HydrophobicContact CG1-CZ 3.67Å | ||
| 159 | E | 84 | Confident | 81.5 | Confident | 173 Ų | 173 | 103.1 Ų | 103.1 | 81% | 0.808 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -65.3 | 131.4 | 174.3 | -66.6 | 173.3 | -175 | 0 | 0 | 110 | P161 | E159-P161 WeakPolarHBondContact O-CD 3.32Š|
| 160 | V | 83.7 | Confident | 81.4 | Confident | 78 Ų | 78 | 104 Ų | 104 | 47% | 0.473 | 53% | 0.534 | S | S | . | . | P | Polyproline II helix | trans | -84.7 | 120.4 | 175.9 | -178.6 | 0 | 0 | 0 | 0 | 107.8 | I158 A164 Q170 | I158-V160 PolarHBondContact O-N 3.47Å; V160-A164 HydrophobicContact CG1-CB 4.13Å; V160-Q170 HydrophobicContact CG2-CG 3.97Å |
| 161 | P | 82.6 | Confident | 81.6 | Confident | 74 Ų | 74 | 100.2 Ų | 100.2 | 48% | 0.481 | 52% | 0.518 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 141.3 | 175.4 | -20.3 | 31.7 | 0 | 0 | 0 | 110.9 | E159 T163 A164 | E159-P161 WeakPolarHBondContact O-CD 3.32Å; P161-T163 PolarHBondContact O-N 3.09Å; P161-A164 HydrophobicContact CB-CB 4.48Å; P161-A164 WeakPolarHBondContact O-CB 3.42Å; P161-A164 PolarHBondContact O-N 2.87Å |
| 162 | E | 75.5 | Confident | 81.8 | Confident | 204 Ų | 204 | 100.2 Ų | 100.2 | 95% | 0.953 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -22 | -178 | -65.9 | -179.4 | 168.4 | 0 | 0 | 113.9 | ||
| 163 | T | 78.9 | Confident | 82.1 | Confident | 148 Ų | 148 | 101.3 Ų | 101.3 | 91% | 0.908 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -6.5 | 178.6 | -29.3 | 0 | 0 | 0 | 0 | 113.7 | P161 | P161-T163 PolarHBondContact O-N 3.09Š|
| 164 | A | 75.7 | Confident | 82.4 | Confident | 24 Ų | 24 | 102 Ų | 102 | 20% | 0.198 | 52% | 0.516 | C | S | . | . | S | Bend | trans | -92 | 153.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V160 P161 P166 | V160-A164 HydrophobicContact CG1-CB 4.13Å; P161-A164 HydrophobicContact CB-CB 4.48Å; P161-A164 WeakPolarHBondContact O-CB 3.42Å; P161-A164 PolarHBondContact O-N 2.87Å; A164-P166 WeakPolarHBondContact O-CD 3.29Å |
| 165 | D | 77 | Confident | 82.8 | Confident | 93 Ų | 93 | 99.6 Ų | 99.6 | 50% | 0.497 | 51% | 0.509 | S | S | . | . | trans | -61.3 | 122.3 | 173.6 | -176 | -11 | 0 | 0 | 0 | 109.8 | N167 E168 | D165-N167 PolarHBondContact O-N 3.07Å; D165-N167 VanDerWaalsContact O-N 3.08Å; D165-N167 PolarHBondContact OD1-N 3.2Å; D165-E168 HydrophobicContact CB-CB 4.39Å; D165-E168 PolarHBondContact O-N 2.72Å; D165-E168 VanDerWaalsContact O-N 3.1Å | ||
| 166 | P | 73.7 | Confident | 83.2 | Confident | 113 Ų | 113 | 102.6 Ų | 102.6 | 73% | 0.734 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -21.8 | 179.4 | -26.6 | 35.5 | 0 | 0 | 0 | 114.5 | A164 | A164-P166 WeakPolarHBondContact O-CD 3.29Š|
| 167 | N | 80 | Confident | 83.6 | Confident | 151 Ų | 151 | 93.7 Ų | 93.7 | 81% | 0.807 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -0.5 | -179 | -66.7 | -45 | 0 | 0 | 0 | 114.1 | D165 | D165-N167 PolarHBondContact O-N 3.07Å; D165-N167 VanDerWaalsContact O-N 3.08Å; D165-N167 PolarHBondContact OD1-N 3.2Å |
| 168 | E | 80.9 | Confident | 84 | Confident | 75 Ų | 75 | 93.3 Ų | 93.3 | 35% | 0.35 | 49% | 0.488 | S | S | . | . | S | Bend | trans | -85.7 | 125.6 | -178.5 | -166.9 | -178.4 | -170.3 | 0 | 0 | 112.5 | D165 Q170 K173 | D165-E168 HydrophobicContact CB-CB 4.39Å; D165-E168 PolarHBondContact O-N 2.72Å; D165-E168 VanDerWaalsContact O-N 3.1Å; E168-Q170 PolarHBondContact O-N 3.13Å; E168-Q170 VanDerWaalsContact O-N 3.1Å; E168-Q170 PolarHBondContact O-NE2 2.82Å; E168-K173 WeakPolarHBondContact OE1-CD 3.35Å; E168-K173 IonicContact OE1-NZ 3.72Å; E168-K173 IonicContact OE2-NZ 2.91Å; E168-K173 PolarHBondContact OE2-NZ 2.95Å |
| 169 | D | 85.6 | Confident | 84.4 | Confident | 93 Ų | 93 | 98.7 Ų | 98.7 | 50% | 0.497 | 51% | 0.51 | S | S | . | . | trans | -69.5 | 105 | 172.3 | 177.5 | 1 | 0 | 0 | 0 | 111.4 | F171 A172 K173 | D169-F171 VanDerWaalsContact C-N 3.29Å; D169-F171 PolarHBondContact O-N 3.25Å; D169-F171 WeakPolarHBondContact OD1-CA 3.4Å; D169-F171 WeakPolarHBondContact OD1-CB 3.49Å; D169-F171 PolarHBondContact OD1-N 2.66Å; D169-A172 HydrophobicContact CB-CB 3.98Å; D169-A172 PolarHBondContact O-N 3.1Å; D169-A172 PolarHBondContact OD1-N 3.36Å; D169-A172 WeakPolarHBondContact OD2-CB 3.41Å; D169-K173 PolarHBondContact O-N 3.34Å | ||
| 170 | Q | 85.6 | Confident | 85 | Confident | 27 Ų | 27 | 96.7 Ų | 96.7 | 13% | 0.126 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -64 | -30 | -179.8 | -59.5 | -55.5 | -28.4 | 0 | 0 | 113.3 | I158 V160 E168 K173 R174 | I158-Q170 HydrophobicContact CB-CB 4.39Å; I158-Q170 HydrophobicContact CG2-CB 3.91Å; I158-Q170 HydrophobicContact CG2-CG 4.47Å; V160-Q170 HydrophobicContact CG2-CG 3.97Å; E168-Q170 PolarHBondContact O-N 3.13Å; E168-Q170 VanDerWaalsContact O-N 3.1Å; E168-Q170 PolarHBondContact O-NE2 2.82Å; Q170-K173 PolarHBondContact O-N 2.62Å; Q170-R174 WeakPolarHBondContact O-CB 3.43Å; Q170-R174 PolarHBondContact O-N 3.18Å |
| 171 | F | 86.9 | Confident | 85.6 | Confident | 84 Ų | 84 | 101.1 Ų | 101.1 | 37% | 0.368 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -69.3 | -43.4 | 175.6 | -67.2 | -86.4 | 0 | 0 | 0 | 110.9 | D155 I158 D169 R174 N175 | D155-F171 WeakPolarHBondContact O-CE1 3.41Å; I158-F171 HydrophobicContact CB-CE2 4.5Å; I158-F171 HydrophobicContact CB-CZ 4.36Å; I158-F171 HydrophobicContact CD1-CD1 3.41Å; I158-F171 VanDerWaalsContact CD1-CD1 3.41Å; I158-F171 HydrophobicContact CD1-CD2 4.18Å; I158-F171 HydrophobicContact CD1-CE1 3.35Å; I158-F171 HydrophobicContact CD1-CE2 4.12Å; I158-F171 HydrophobicContact CD1-CG 3.84Å; I158-F171 HydrophobicContact CD1-CZ 3.74Å; I158-F171 HydrophobicContact CG1-CD1 4.27Å; I158-F171 HydrophobicContact CG1-CE1 3.71Å; I158-F171 HydrophobicContact CG1-CE2 4.21Å; I158-F171 HydrophobicContact CG1-CZ 3.67Å; D169-F171 VanDerWaalsContact C-N 3.29Å; D169-F171 PolarHBondContact O-N 3.25Å; D169-F171 WeakPolarHBondContact OD1-CA 3.4Å; D169-F171 WeakPolarHBondContact OD1-CB 3.49Å; D169-F171 PolarHBondContact OD1-N 2.66Å; F171-R174 PolarHBondContact O-N 3.24Å; F171-N175 WeakPolarHBondContact O-CB 3.42Å; F171-N175 PolarHBondContact O-N 3.5Å; F171-N175 PolarHBondContact O-ND2 2.89Å |
| 172 | A | 88.1 | Confident | 86.1 | Confident | 33 Ų | 33 | 102 Ų | 102 | 27% | 0.273 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.8 | -42.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | D169 N175 K176 | D169-A172 HydrophobicContact CB-CB 3.98Å; D169-A172 PolarHBondContact O-N 3.1Å; D169-A172 PolarHBondContact OD1-N 3.36Å; D169-A172 WeakPolarHBondContact OD2-CB 3.41Å; A172-N175 PolarHBondContact O-N 3.44Å; A172-K176 WeakPolarHBondContact O-CG 3.32Å; A172-K176 PolarHBondContact O-N 2.98Å |
| 173 | K | 88.4 | Confident | 87 | Confident | 88 Ų | 88 | 95.2 Ų | 95.2 | 38% | 0.383 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.8 | -47.2 | 175.7 | -168.9 | -179 | -163.1 | 158.6 | 0 | 111.9 | E168 D169 Q170 N175 K176 A177 | E168-K173 WeakPolarHBondContact OE1-CD 3.35Å; E168-K173 IonicContact OE1-NZ 3.72Å; E168-K173 IonicContact OE2-NZ 2.91Å; E168-K173 PolarHBondContact OE2-NZ 2.95Å; D169-K173 PolarHBondContact O-N 3.34Å; Q170-K173 PolarHBondContact O-N 2.62Å; K173-N175 VanDerWaalsContact C-N 3.33Å; K173-N175 PolarHBondContact O-N 2.91Å; K173-K176 PolarHBondContact O-N 3.4Å; K173-A177 WeakPolarHBondContact O-CB 3.5Å; K173-A177 PolarHBondContact O-N 2.92Å |
| 174 | R | 87.8 | Confident | 87.8 | Confident | 110 Ų | 110 | 95.1 Ų | 95.1 | 42% | 0.415 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -58.6 | -44 | 175.8 | -170.8 | -178.8 | -172.4 | 114.3 | 11.7 | 112 | D152 Q170 F171 A177 K178 | D152-R174 VanDerWaalsContact CB-CZ 3.4Å; D152-R174 IonicContact OD1-NH2 3.95Å; D152-R174 IonicContact OD2-CZ 2.75Å; D152-R174 IonicContact OD2-NE 2.66Å; D152-R174 IonicContact OD2-NH2 2.62Å; D152-R174 PolarHBondContact OD2-NH2 3.45Å; Q170-R174 WeakPolarHBondContact O-CB 3.43Å; Q170-R174 PolarHBondContact O-N 3.18Å; F171-R174 PolarHBondContact O-N 3.24Å; R174-A177 PolarHBondContact O-N 2.96Å; R174-K178 WeakPolarHBondContact O-CB 3.45Å; R174-K178 PolarHBondContact O-N 2.79Å |
| 175 | N | 89.6 | Confident | 88.7 | Confident | 85 Ų | 85 | 99.4 Ų | 99.4 | 46% | 0.455 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.4 | -41.9 | 177.9 | -76.6 | -33.5 | 0 | 0 | 0 | 112.5 | F171 A172 K173 K178 K179 | F171-N175 WeakPolarHBondContact O-CB 3.42Å; F171-N175 PolarHBondContact O-N 3.5Å; F171-N175 PolarHBondContact O-ND2 2.89Å; A172-N175 PolarHBondContact O-N 3.44Å; K173-N175 VanDerWaalsContact C-N 3.33Å; K173-N175 PolarHBondContact O-N 2.91Å; N175-K178 PolarHBondContact O-N 3.43Å; N175-K179 WeakPolarHBondContact O-CG 3.42Å; N175-K179 PolarHBondContact O-N 2.87Å |
| 176 | K | 92.3 | Very high | 89.5 | Confident | 130 Ų | 130 | 98.6 Ų | 98.6 | 57% | 0.565 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.2 | -50.3 | 173.6 | -73 | 173.5 | -176.9 | 175.2 | 0 | 110.9 | A172 K173 K178 K179 E180 | A172-K176 WeakPolarHBondContact O-CG 3.32Å; A172-K176 PolarHBondContact O-N 2.98Å; K173-K176 PolarHBondContact O-N 3.4Å; K176-K178 VanDerWaalsContact C-N 3.28Å; K176-K178 PolarHBondContact O-N 3.27Å; K176-K179 WeakPolarHBondContact O-CB 3.31Å; K176-K179 PolarHBondContact O-N 3.5Å; K176-E180 WeakPolarHBondContact O-CG 3.44Å; K176-E180 PolarHBondContact O-N 2.6Å |
| 177 | A | 91.6 | Very high | 90.3 | Very high | 38 Ų | 38 | 96.9 Ų | 96.9 | 31% | 0.314 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -58.4 | -37.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | K173 R174 R181 | K173-A177 WeakPolarHBondContact O-CB 3.5Å; K173-A177 PolarHBondContact O-N 2.92Å; R174-A177 PolarHBondContact O-N 2.96Å; A177-R181 WeakPolarHBondContact O-CB 3.32Å; A177-R181 PolarHBondContact O-N 3.25Å |
| 178 | K | 91 | Very high | 90.8 | Very high | 98 Ų | 98 | 92.6 Ų | 92.6 | 43% | 0.426 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.5 | -47.7 | 173.4 | -176.3 | 178 | 179.3 | 178.5 | 0 | 111.6 | R174 N175 K176 E180 R181 V182 | R174-K178 WeakPolarHBondContact O-CB 3.45Å; R174-K178 PolarHBondContact O-N 2.79Å; N175-K178 PolarHBondContact O-N 3.43Å; K176-K178 VanDerWaalsContact C-N 3.28Å; K176-K178 PolarHBondContact O-N 3.27Å; K178-E180 VanDerWaalsContact C-N 3.33Å; K178-E180 PolarHBondContact O-N 3.15Å; K178-R181 PolarHBondContact O-N 2.91Å; K178-V182 WeakPolarHBondContact O-CG2 3.5Å; K178-V182 PolarHBondContact O-N 3.4Å |
| 179 | K | 94.3 | Very high | 91.3 | Very high | 154 Ų | 154 | 95.7 Ų | 95.7 | 67% | 0.67 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -60 | -43.5 | 177.5 | -73 | 175.4 | -179 | 180 | 0 | 111.3 | N175 K176 V182 A183 | N175-K179 WeakPolarHBondContact O-CG 3.42Å; N175-K179 PolarHBondContact O-N 2.87Å; K176-K179 WeakPolarHBondContact O-CB 3.31Å; K176-K179 PolarHBondContact O-N 3.5Å; K179-V182 PolarHBondContact O-N 2.82Å; K179-A183 WeakPolarHBondContact O-CB 3.44Å; K179-A183 PolarHBondContact O-N 3.39Å |
| 180 | E | 95.9 | Very high | 91.5 | Very high | 130 Ų | 130 | 96 Ų | 96 | 61% | 0.607 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -61.9 | -43.1 | 176.3 | -72.6 | 169.7 | -166.3 | 0 | 0 | 112.2 | K176 K178 V182 A183 K184 | K176-E180 WeakPolarHBondContact O-CG 3.44Å; K176-E180 PolarHBondContact O-N 2.6Å; K178-E180 VanDerWaalsContact C-N 3.33Å; K178-E180 PolarHBondContact O-N 3.15Å; E180-V182 VanDerWaalsContact C-N 3.34Å; E180-V182 PolarHBondContact O-N 2.87Å; E180-A183 PolarHBondContact O-N 2.81Å; E180-K184 VanDerWaalsContact O-CB 3.27Å; E180-K184 WeakPolarHBondContact O-CB 3.23Å; E180-K184 PolarHBondContact O-N 2.95Å |
| 181 | R | 95.1 | Very high | 91.6 | Very high | 171 Ų | 171 | 99.4 Ų | 99.4 | 65% | 0.645 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -62.2 | -41.9 | 176 | -167.4 | -174.1 | -56 | 122.9 | 3 | 111.9 | A177 K178 N185 | A177-R181 WeakPolarHBondContact O-CB 3.32Å; A177-R181 PolarHBondContact O-N 3.25Å; K178-R181 PolarHBondContact O-N 2.91Å; R181-N185 PolarHBondContact O-N 3.41Å |
| 182 | V | 95.1 | Very high | 91.7 | Very high | 94 Ų | 94 | 97.2 Ų | 97.2 | 57% | 0.57 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -65.2 | -47.1 | 176.4 | 172.9 | 0 | 0 | 0 | 0 | 110.5 | K178 K179 E180 K184 N185 E186 | K178-V182 WeakPolarHBondContact O-CG2 3.5Å; K178-V182 PolarHBondContact O-N 3.4Å; K179-V182 PolarHBondContact O-N 2.82Å; E180-V182 VanDerWaalsContact C-N 3.34Å; E180-V182 PolarHBondContact O-N 2.87Å; V182-K184 VanDerWaalsContact C-N 3.33Å; V182-K184 PolarHBondContact O-N 3.43Å; V182-N185 WeakPolarHBondContact O-CB 3.39Å; V182-N185 PolarHBondContact O-N 2.76Å; V182-N185 VanDerWaalsContact O-N 3.15Å; V182-E186 PolarHBondContact O-N 3.03Å |
| 183 | A | 94.4 | Very high | 91.8 | Very high | 60 Ų | 60 | 99 Ų | 99 | 50% | 0.496 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.4 | -42 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | K179 E180 N185 E186 L187 | K179-A183 WeakPolarHBondContact O-CB 3.44Å; K179-A183 PolarHBondContact O-N 3.39Å; E180-A183 PolarHBondContact O-N 2.81Å; A183-N185 VanDerWaalsContact C-N 3.32Å; A183-N185 PolarHBondContact O-N 3.3Å; A183-E186 PolarHBondContact O-N 3.27Å; A183-L187 VanDerWaalsContact O-CB 3.25Å; A183-L187 WeakPolarHBondContact O-CB 3.48Å; A183-L187 PolarHBondContact O-N 2.78Å |
| 184 | K | 94.3 | Very high | 91.8 | Very high | 146 Ų | 146 | 95.4 Ų | 95.4 | 64% | 0.635 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -63 | -37.9 | 175.6 | -174.5 | 174.8 | -177.5 | 174.8 | 0 | 112 | E180 V182 N188 | E180-K184 VanDerWaalsContact O-CB 3.27Å; E180-K184 WeakPolarHBondContact O-CB 3.23Å; E180-K184 PolarHBondContact O-N 2.95Å; V182-K184 VanDerWaalsContact C-N 3.33Å; V182-K184 PolarHBondContact O-N 3.43Å; K184-N188 WeakPolarHBondContact O-CB 3.42Å; K184-N188 VanDerWaalsContact O-CG 3.22Å; K184-N188 PolarHBondContact O-N 2.86Å; K184-N188 PolarHBondContact O-ND2 3.48Å |
| 185 | N | 94.8 | Very high | 91.6 | Very high | 115 Ų | 115 | 95.5 Ų | 95.5 | 62% | 0.615 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -65.3 | -47.3 | 175.4 | -170.2 | 20.5 | 0 | 0 | 0 | 111.5 | R181 V182 A183 L187 N188 R189 | R181-N185 PolarHBondContact O-N 3.41Å; V182-N185 WeakPolarHBondContact O-CB 3.39Å; V182-N185 PolarHBondContact O-N 2.76Å; V182-N185 VanDerWaalsContact O-N 3.15Å; A183-N185 VanDerWaalsContact C-N 3.32Å; A183-N185 PolarHBondContact O-N 3.3Å; N185-L187 VanDerWaalsContact C-N 3.34Å; N185-L187 PolarHBondContact O-N 3.01Å; N185-N188 PolarHBondContact O-N 2.91Å; N185-R189 PolarHBondContact O-N 3.34Å |
| 186 | E | 93.8 | Very high | 91.4 | Very high | 75 Ų | 75 | 93.7 Ų | 93.7 | 35% | 0.35 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.7 | -40.4 | 178.6 | -170.1 | 57.7 | -155 | 0 | 0 | 111.7 | V182 A183 N188 R189 L190 | V182-E186 PolarHBondContact O-N 3.03Å; A183-E186 PolarHBondContact O-N 3.27Å; E186-N188 VanDerWaalsContact C-N 3.34Å; E186-N188 PolarHBondContact O-N 3.41Å; E186-R189 WeakPolarHBondContact O-CB 3.45Å; E186-R189 PolarHBondContact O-N 2.84Å; E186-R189 VanDerWaalsContact O-N 3.16Å; E186-R189 IonicContact OE1-CZ 3.08Å; E186-R189 IonicContact OE1-NH1 3.85Å; E186-R189 PolarHBondContact OE1-NH1 3.19Å; E186-R189 WeakPolarHBondContact OE2-CD 3.27Å; E186-R189 IonicContact OE2-NH1 3.62Å; E186-R189 PolarHBondContact OE2-NH1 2.94Å; E186-L190 HydrophobicContact CG-CD1 4.46Å; E186-L190 WeakPolarHBondContact O-CG 3.4Å; E186-L190 PolarHBondContact O-N 3.33Å |
| 187 | L | 91.3 | Very high | 91.1 | Very high | 78 Ų | 78 | 94.1 Ų | 94.1 | 41% | 0.408 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -58.6 | -46.4 | 174 | -164.5 | 170.7 | 0 | 0 | 0 | 110.9 | A183 N185 R189 L190 R191 | A183-L187 VanDerWaalsContact O-CB 3.25Å; A183-L187 WeakPolarHBondContact O-CB 3.48Å; A183-L187 PolarHBondContact O-N 2.78Å; N185-L187 VanDerWaalsContact C-N 3.34Å; N185-L187 PolarHBondContact O-N 3.01Å; L187-R189 VanDerWaalsContact C-N 3.33Å; L187-R189 PolarHBondContact O-N 3.23Å; L187-L190 PolarHBondContact O-N 2.88Å; L187-R191 HydrophobicContact CD2-CG 3.98Å; L187-R191 VanDerWaalsContact CD2-NH1 3.32Å; L187-R191 PolarHBondContact O-N 2.93Å |
| 188 | N | 89.9 | Confident | 90.6 | Very high | 60 Ų | 60 | 101.5 Ų | 101.5 | 32% | 0.321 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.7 | -36.5 | 176.7 | -73.7 | -26.4 | 0 | 0 | 0 | 112.7 | K184 N185 E186 R191 N192 | K184-N188 WeakPolarHBondContact O-CB 3.42Å; K184-N188 VanDerWaalsContact O-CG 3.22Å; K184-N188 PolarHBondContact O-N 2.86Å; K184-N188 PolarHBondContact O-ND2 3.48Å; N185-N188 PolarHBondContact O-N 2.91Å; E186-N188 VanDerWaalsContact C-N 3.34Å; E186-N188 PolarHBondContact O-N 3.41Å; N188-R191 PolarHBondContact O-N 2.93Å; N188-N192 VanDerWaalsContact O-CG 3.24Å; N188-N192 PolarHBondContact O-N 2.97Å; N188-N192 PolarHBondContact O-ND2 3.39Å |
| 189 | R | 90.8 | Very high | 90.1 | Very high | 141 Ų | 141 | 101.1 Ų | 101.1 | 53% | 0.532 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.9 | -50.8 | 172.8 | 179.4 | -170.6 | 171.7 | -151.2 | 1.8 | 110.6 | N185 E186 L187 R191 N192 I193 | N185-R189 PolarHBondContact O-N 3.34Å; E186-R189 WeakPolarHBondContact O-CB 3.45Å; E186-R189 PolarHBondContact O-N 2.84Å; E186-R189 VanDerWaalsContact O-N 3.16Å; E186-R189 IonicContact OE1-CZ 3.08Å; E186-R189 IonicContact OE1-NH1 3.85Å; E186-R189 PolarHBondContact OE1-NH1 3.19Å; E186-R189 WeakPolarHBondContact OE2-CD 3.27Å; E186-R189 IonicContact OE2-NH1 3.62Å; E186-R189 PolarHBondContact OE2-NH1 2.94Å; L187-R189 VanDerWaalsContact C-N 3.33Å; L187-R189 PolarHBondContact O-N 3.23Å; R189-R191 VanDerWaalsContact C-N 3.34Å; R189-R191 PolarHBondContact O-N 3.46Å; R189-N192 PolarHBondContact O-N 2.57Å; R189-N192 VanDerWaalsContact O-N 3.12Å; R189-I193 HydrophobicContact CG-CD1 3.97Å; R189-I193 WeakPolarHBondContact O-CG1 2.92Å; R189-I193 PolarHBondContact O-N 3.44Å |
| 190 | L | 90.4 | Very high | 88.9 | Confident | 100 Ų | 100 | 102.5 Ų | 102.5 | 52% | 0.524 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.5 | -41.4 | 178.1 | -69.5 | 174.5 | 0 | 0 | 0 | 112.1 | E186 L187 N192 I193 A194 | E186-L190 HydrophobicContact CG-CD1 4.46Å; E186-L190 WeakPolarHBondContact O-CG 3.4Å; E186-L190 PolarHBondContact O-N 3.33Å; L187-L190 PolarHBondContact O-N 2.88Å; L190-N192 PolarHBondContact O-N 3.15Å; L190-I193 PolarHBondContact O-N 3.35Å; L190-A194 WeakPolarHBondContact O-CB 3.46Å; L190-A194 PolarHBondContact O-N 2.85Å |
| 191 | R | 87.8 | Confident | 87.4 | Confident | 97 Ų | 97 | 98.7 Ų | 98.7 | 37% | 0.366 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.5 | -40.7 | 173.3 | -77.5 | -179.1 | -178 | 149.1 | -2 | 112.6 | L187 N188 R189 A194 R195 | L187-R191 HydrophobicContact CD2-CG 3.98Å; L187-R191 VanDerWaalsContact CD2-NH1 3.32Å; L187-R191 PolarHBondContact O-N 2.93Å; N188-R191 PolarHBondContact O-N 2.93Å; R189-R191 VanDerWaalsContact C-N 3.34Å; R189-R191 PolarHBondContact O-N 3.46Å; R191-A194 PolarHBondContact O-N 3.12Å; R191-R195 WeakPolarHBondContact O-CG 3.26Å; R191-R195 PolarHBondContact O-N 2.99Å |
| 192 | N | 90.1 | Very high | 85.5 | Confident | 39 Ų | 39 | 96.9 Ų | 96.9 | 21% | 0.209 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -68.1 | -39.9 | 177.8 | -70.8 | -24.3 | 0 | 0 | 0 | 111.6 | N188 R189 L190 R195 A196 | N188-N192 VanDerWaalsContact O-CG 3.24Å; N188-N192 PolarHBondContact O-N 2.97Å; N188-N192 PolarHBondContact O-ND2 3.39Å; R189-N192 PolarHBondContact O-N 2.57Å; R189-N192 VanDerWaalsContact O-N 3.12Å; L190-N192 PolarHBondContact O-N 3.15Å; N192-R195 PolarHBondContact O-N 3.46Å; N192-R195 PolarHBondContact OD1-NH1 3.13Å; N192-A196 WeakPolarHBondContact O-CB 3.26Å; N192-A196 PolarHBondContact O-N 3.41Å |
| 193 | I | 89.2 | Confident | 83.8 | Confident | 71 Ų | 71 | 96.4 Ų | 96.4 | 36% | 0.364 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.9 | -48.8 | 173.6 | -67.3 | 169.2 | 0 | 0 | 0 | 109.9 | R189 L190 R195 A196 H197 | R189-I193 HydrophobicContact CG-CD1 3.97Å; R189-I193 WeakPolarHBondContact O-CG1 2.92Å; R189-I193 PolarHBondContact O-N 3.44Å; L190-I193 PolarHBondContact O-N 3.35Å; I193-R195 VanDerWaalsContact C-N 3.32Å; I193-R195 PolarHBondContact O-N 2.82Å; I193-A196 WeakPolarHBondContact O-CB 3.37Å; I193-A196 PolarHBondContact O-N 3.37Å; I193-A196 VanDerWaalsContact O-N 3.08Å; I193-H197 PolarHBondContact O-CD2 3Å; I193-H197 VanDerWaalsContact O-CD2 3.23Å; I193-H197 PolarHBondContact O-N 2.99Å |
| 194 | A | 88.3 | Confident | 81.9 | Confident | 12 Ų | 12 | 96.9 Ų | 96.9 | 10% | 0.099 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -58.6 | -42.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L190 R191 H197 K198 V199 T201 | L190-A194 WeakPolarHBondContact O-CB 3.46Å; L190-A194 PolarHBondContact O-N 2.85Å; R191-A194 PolarHBondContact O-N 3.12Å; A194-H197 CarbonylContact O-C 3.59Å; A194-H197 PolarHBondContact O-N 3.16Å; A194-K198 CarbonylContact O-C 3.5Å; A194-K198 WeakPolarHBondContact O-CA 3.5Å; A194-K198 PolarHBondContact O-N 3.44Å; A194-V199 PolarHBondContact O-N 3.43Å; A194-T201 HydrophobicContact CB-CG2 3.47Å; A194-T201 VanDerWaalsContact CB-CG2 3.47Å |
| 195 | R | 83.8 | Confident | 80.2 | Confident | 112 Ų | 112 | 92.5 Ų | 92.5 | 42% | 0.423 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.1 | -41.5 | 173.5 | -73.4 | -173.8 | -139 | 127.1 | 8.9 | 112.5 | R191 N192 I193 H197 K198 | R191-R195 WeakPolarHBondContact O-CG 3.26Å; R191-R195 PolarHBondContact O-N 2.99Å; N192-R195 PolarHBondContact O-N 3.46Å; N192-R195 PolarHBondContact OD1-NH1 3.13Å; I193-R195 VanDerWaalsContact C-N 3.32Å; I193-R195 PolarHBondContact O-N 2.82Å; R195-H197 VanDerWaalsContact C-N 3.34Å; R195-H197 PolarHBondContact O-N 2.83Å; R195-K198 PolarHBondContact O-N 3.01Å |
| 196 | A | 86.2 | Confident | 78.5 | Confident | 46 Ų | 46 | 89.7 Ų | 89.7 | 38% | 0.38 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.2 | -41.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | P110 N192 I193 K198 | P110-A196 HydrophobicContact CG-CB 3.51Å; N192-A196 WeakPolarHBondContact O-CB 3.26Å; N192-A196 PolarHBondContact O-N 3.41Å; I193-A196 WeakPolarHBondContact O-CB 3.37Å; I193-A196 PolarHBondContact O-N 3.37Å; I193-A196 VanDerWaalsContact O-N 3.08Å; A196-K198 VanDerWaalsContact C-N 3.33Å |
| 197 | H | 85.1 | Confident | 76.9 | Confident | 139 Ų | 139 | 91.1 Ų | 91.1 | 64% | 0.644 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | 2.1 | 178.1 | -68.7 | -80.5 | 0 | 0 | 0 | 113.9 | I193 A194 R195 V199 | I193-H197 PolarHBondContact O-CD2 3Å; I193-H197 VanDerWaalsContact O-CD2 3.23Å; I193-H197 PolarHBondContact O-N 2.99Å; A194-H197 CarbonylContact O-C 3.59Å; A194-H197 PolarHBondContact O-N 3.16Å; R195-H197 VanDerWaalsContact C-N 3.34Å; R195-H197 PolarHBondContact O-N 2.83Å; H197-V199 HydrophobicContact CB-CG2 3.77Å; H197-V199 PolarHBondContact O-N 3.03Å; H197-V199 VanDerWaalsContact O-N 3.12Å |
| 198 | K | 81.8 | Confident | 75.3 | Confident | 193 Ų | 193 | 93.4 Ų | 93.4 | 84% | 0.839 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 29.9 | -174.5 | -56.8 | 179.5 | -178.9 | -178.7 | 0 | 113.4 | A194 R195 A196 | A194-K198 CarbonylContact O-C 3.5Å; A194-K198 WeakPolarHBondContact O-CA 3.5Å; A194-K198 PolarHBondContact O-N 3.44Å; R195-K198 PolarHBondContact O-N 3.01Å; A196-K198 VanDerWaalsContact C-N 3.33Å |
| 199 | V | 79.9 | Confident | 74.3 | Confident | 91 Ų | 91 | 95.9 Ų | 95.9 | 55% | 0.552 | 51% | 0.514 | S | S | * | . | trans | -80.2 | 132.2 | 177.2 | 178 | 0 | 0 | 0 | 0 | 108.9 | A194 H197 T201 | A194-V199 PolarHBondContact O-N 3.43Å; H197-V199 HydrophobicContact CB-CG2 3.77Å; H197-V199 PolarHBondContact O-N 3.03Å; H197-V199 VanDerWaalsContact O-N 3.12Å; V199-T201 PolarHBondContact O-N 2.68Å | ||
| 200 | K | 69.6 | Low | 73.2 | Confident | 183 Ų | 183 | 94.6 Ų | 94.6 | 80% | 0.796 | 53% | 0.533 | S | S | * | . | trans | -73 | 110.2 | 176.4 | -70.8 | 173.7 | -179.4 | 168.4 | 0 | 109.5 | ||||
| 201 | T | 63.3 | Low | 72.4 | Confident | 50 Ų | 50 | 98.3 Ų | 98.3 | 31% | 0.307 | 55% | 0.548 | S | S | . | . | trans | -74.9 | 129.8 | 173.9 | 28.6 | 0 | 0 | 0 | 0 | 111.1 | A194 V199 E204 | A194-T201 HydrophobicContact CB-CG2 3.47Å; A194-T201 VanDerWaalsContact CB-CG2 3.47Å; V199-T201 PolarHBondContact O-N 2.68Å; T201-E204 WeakPolarHBondContact CB-OE2 3.35Å; T201-E204 PolarHBondContact OG1-OE2 3.05Å | ||
| 202 | P | 56 | Low | 71.7 | Confident | 132 Ų | 132 | 96.6 Ų | 96.6 | 86% | 0.857 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | 135.8 | 171.1 | -15.9 | 28.7 | 0 | 0 | 0 | 110.6 | ||
| 203 | G | 58.8 | Low | 71.3 | Confident | 84 Ų | 84 | 97.5 Ų | 97.5 | 87% | 0.866 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 85.6 | 2.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | G205 | G203-G205 VanDerWaalsContact C-N 3.29Å; G203-G205 PolarHBondContact O-N 2.66Å |
| 204 | E | 55.6 | Low | 70.9 | Confident | 70 Ų | 70 | 102.8 Ų | 102.8 | 33% | 0.327 | 57% | 0.574 | S | S | . | * | trans | -72.3 | 95.4 | 160.2 | -135.2 | 124.4 | -171.1 | 0 | 0 | 106.3 | T201 | T201-E204 WeakPolarHBondContact CB-OE2 3.35Å; T201-E204 PolarHBondContact OG1-OE2 3.05Å | ||
| 205 | G | 58.8 | Low | 70.4 | Confident | 54 Ų | 54 | 107.6 Ų | 107.6 | 56% | 0.557 | 60% | 0.598 | S | S | * | * | trans | -50.2 | 157.7 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | G203 L207 | G203-G205 VanDerWaalsContact C-N 3.29Å; G203-G205 PolarHBondContact O-N 2.66Å; G205-L207 PolarHBondContact O-N 3.42Å | ||
| 206 | L | 58.7 | Low | 70 | Confident | 57 Ų | 57 | 104.3 Ų | 104.3 | 30% | 0.298 | 59% | 0.587 | S | S | . | * | trans | -55.6 | 112.5 | -177.6 | -72.3 | 139.9 | 0 | 0 | 0 | 110.2 | E216 K219 A220 | L206-E216 WeakPolarHBondContact CD1-O 3.43Å; L206-E216 VanDerWaalsContact CD2-CA 3.48Å; L206-E216 HydrophobicContact CD2-CB 3.31Å; L206-E216 HydrophobicContact CD2-CG 3.67Å; L206-E216 WeakPolarHBondContact CD2-O 3.16Å; L206-K219 HydrophobicContact CD1-CB 4.42Å; L206-A220 HydrophobicContact CD1-CB 3.2Å | ||
| 207 | L | 59.9 | Low | 69.7 | Low | 105 Ų | 105 | 106.4 Ų | 106.4 | 55% | 0.55 | 59% | 0.592 | S | S | . | * | trans | -65.9 | 133.9 | 171.8 | -60.8 | 175.5 | 0 | 0 | 0 | 107.1 | G205 K209 | G205-L207 PolarHBondContact O-N 3.42Å; L207-K209 PolarHBondContact O-N 2.96Å | ||
| 208 | P | 57.8 | Low | 69.4 | Low | 126 Ų | 126 | 102.7 Ų | 102.7 | 82% | 0.818 | 59% | 0.585 | S | S | * | * | trans | -60.4 | 111.3 | 172.8 | 23.2 | -30 | 0 | 0 | 0 | 107.8 | ||||
| 209 | K | 68.2 | Low | 69.2 | Low | 111 Ų | 111 | 98.6 Ų | 98.6 | 48% | 0.483 | 57% | 0.567 | S | S | . | * | trans | -113.1 | 146.3 | 172.5 | -70.8 | 179.1 | -178.6 | 171.1 | 0 | 107 | L207 Q211 E216 | L207-K209 PolarHBondContact O-N 2.96Å; K209-Q211 PolarHBondContact O-N 3.37Å; K209-E216 IonicContact NZ-OE1 2.84Å; K209-E216 PolarHBondContact NZ-OE1 2.93Å | ||
| 210 | A | 68.2 | Low | 69.2 | Low | 114 Ų | 114 | 95.7 Ų | 95.7 | 94% | 0.942 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -57.9 | -31.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 211 | Q | 72.6 | Confident | 69.8 | Low | 178 Ų | 178 | 90 Ų | 90 | 83% | 0.832 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -129.8 | 124.3 | 167.5 | -66.2 | -156.3 | -24.8 | 0 | 0 | 110.2 | K209 | K209-Q211 PolarHBondContact O-N 3.37Š|
| 212 | Q | 74.8 | Confident | 70.6 | Confident | 62 Ų | 62 | 90.2 Ų | 90.2 | 29% | 0.29 | 54% | 0.536 | S | S | . | . | trans | -95.4 | 133.8 | 173.8 | -66 | -159 | -12.3 | 0 | 0 | 110.1 | E216 L217 | Q212-E216 HydrophobicContact CB-CB 4.28Å; Q212-L217 HydrophobicContact CB-CD2 4.04Å; Q212-L217 HydrophobicContact CB-CG 3.91Å | ||
| 213 | S | 80.4 | Confident | 71.8 | Confident | 58 Ų | 58 | 87.5 Ų | 87.5 | 41% | 0.406 | 52% | 0.518 | S | S | . | . | trans | -66.6 | 156 | 172.6 | 59.3 | 0 | 0 | 0 | 0 | 111.1 | D215 E216 L217 | S213-D215 PolarHBondContact O-N 3.3Å; S213-D215 VanDerWaalsContact O-N 3.16Å; S213-E216 PolarHBondContact N-OE2 2.98Å; S213-E216 WeakPolarHBondContact O-CA 3.34Å; S213-E216 WeakPolarHBondContact O-CB 3.47Å; S213-E216 PolarHBondContact O-N 2.83Å; S213-E216 WeakPolarHBondContact OG-CB 3.43Å; S213-E216 WeakPolarHBondContact OG-CG 3.37Å; S213-E216 PolarHBondContact OG-N 3.02Å; S213-E216 PolarHBondContact OG-OE2 3.14Å; S213-L217 PolarHBondContact O-N 3.19Å | ||
| 214 | K | 81.5 | Confident | 73 | Confident | 181 Ų | 181 | 86.3 Ų | 86.3 | 79% | 0.787 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -51.7 | -39.3 | 176.5 | -176.7 | 178.2 | -179.8 | 175.4 | 0 | 112.8 | L217 A218 | K214-L217 PolarHBondContact O-N 3.08Å; K214-A218 WeakPolarHBondContact O-CB 3.38Å; K214-A218 PolarHBondContact O-N 3.32Å |
| 215 | D | 76.9 | Confident | 74.2 | Confident | 114 Ų | 114 | 85 Ų | 85 | 61% | 0.61 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -71.3 | -33.5 | 178.7 | -70.1 | -14.3 | 0 | 0 | 0 | 112.7 | S213 K219 | S213-D215 PolarHBondContact O-N 3.3Å; S213-D215 VanDerWaalsContact O-N 3.16Å; D215-K219 VanDerWaalsContact O-CG 3.24Å; D215-K219 WeakPolarHBondContact O-CG 3.37Å; D215-K219 PolarHBondContact O-N 3.49Å; D215-K219 VanDerWaalsContact O-N 3.08Å |
| 216 | E | 76.9 | Confident | 75.1 | Confident | 42 Ų | 42 | 86.4 Ų | 86.4 | 20% | 0.196 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -67.6 | -46.3 | 173.9 | -80.9 | 169 | 163.3 | 0 | 0 | 110.4 | L206 K209 Q212 S213 A218 K219 A220 | L206-E216 WeakPolarHBondContact CD1-O 3.43Å; L206-E216 VanDerWaalsContact CD2-CA 3.48Å; L206-E216 HydrophobicContact CD2-CB 3.31Å; L206-E216 HydrophobicContact CD2-CG 3.67Å; L206-E216 WeakPolarHBondContact CD2-O 3.16Å; K209-E216 IonicContact NZ-OE1 2.84Å; K209-E216 PolarHBondContact NZ-OE1 2.93Å; Q212-E216 HydrophobicContact CB-CB 4.28Å; S213-E216 PolarHBondContact N-OE2 2.98Å; S213-E216 WeakPolarHBondContact O-CA 3.34Å; S213-E216 WeakPolarHBondContact O-CB 3.47Å; S213-E216 PolarHBondContact O-N 2.83Å; S213-E216 WeakPolarHBondContact OG-CB 3.43Å; S213-E216 WeakPolarHBondContact OG-CG 3.37Å; S213-E216 PolarHBondContact OG-N 3.02Å; S213-E216 PolarHBondContact OG-OE2 3.14Å; E216-A218 PolarHBondContact O-N 3Å; E216-K219 WeakPolarHBondContact O-CB 3.18Å; E216-K219 PolarHBondContact O-N 3.16Å; E216-A220 PolarHBondContact O-N 3.41Å |
| 217 | L | 78.6 | Confident | 76.3 | Confident | 91 Ų | 91 | 88.1 Ų | 88.1 | 48% | 0.476 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.5 | -43 | 174.4 | -71 | 169.6 | 0 | 0 | 0 | 112.1 | Q212 S213 K214 K219 A220 V221 | Q212-L217 HydrophobicContact CB-CD2 4.04Å; Q212-L217 HydrophobicContact CB-CG 3.91Å; S213-L217 PolarHBondContact O-N 3.19Å; K214-L217 PolarHBondContact O-N 3.08Å; L217-K219 VanDerWaalsContact C-N 3.31Å; L217-K219 PolarHBondContact O-N 2.9Å; L217-A220 WeakPolarHBondContact O-CA 3.36Å; L217-A220 WeakPolarHBondContact O-CB 3.43Å; L217-A220 PolarHBondContact O-N 3.45Å; L217-V221 WeakPolarHBondContact O-CG2 3.3Å; L217-V221 PolarHBondContact O-N 2.91Å |
| 218 | A | 79.3 | Confident | 77.4 | Confident | 60 Ų | 60 | 85.8 Ų | 85.8 | 50% | 0.496 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62 | -38.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | K214 E216 A220 S222 | K214-A218 WeakPolarHBondContact O-CB 3.38Å; K214-A218 PolarHBondContact O-N 3.32Å; E216-A218 PolarHBondContact O-N 3Å; A218-A220 VanDerWaalsContact C-N 3.33Å; A218-S222 PolarHBondContact O-N 3.42Å |
| 219 | K | 77.8 | Confident | 78.7 | Confident | 108 Ų | 108 | 85.1 Ų | 85.1 | 47% | 0.47 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.3 | -37 | 172.6 | -72 | 169.7 | -171.3 | 176.2 | 0 | 111.4 | L206 D215 E216 L217 S222 V223 | L206-K219 HydrophobicContact CD1-CB 4.42Å; D215-K219 VanDerWaalsContact O-CG 3.24Å; D215-K219 WeakPolarHBondContact O-CG 3.37Å; D215-K219 PolarHBondContact O-N 3.49Å; D215-K219 VanDerWaalsContact O-N 3.08Å; E216-K219 WeakPolarHBondContact O-CB 3.18Å; E216-K219 PolarHBondContact O-N 3.16Å; L217-K219 VanDerWaalsContact C-N 3.31Å; L217-K219 PolarHBondContact O-N 2.9Å; K219-S222 WeakPolarHBondContact CA-OG 3.27Å; K219-S222 PolarHBondContact O-N 2.91Å; K219-S222 PolarHBondContact O-OG 3.1Å; K219-V223 WeakPolarHBondContact O-CB 3.36Å; K219-V223 WeakPolarHBondContact O-CG2 3.35Å; K219-V223 PolarHBondContact O-N 2.94Å |
| 220 | A | 80.4 | Confident | 79.4 | Confident | 29 Ų | 29 | 81.3 Ų | 81.3 | 24% | 0.24 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -60 | -51.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | L206 E216 L217 A218 S222 V223 A224 | L206-A220 HydrophobicContact CD1-CB 3.2Å; E216-A220 PolarHBondContact O-N 3.41Å; L217-A220 WeakPolarHBondContact O-CA 3.36Å; L217-A220 WeakPolarHBondContact O-CB 3.43Å; L217-A220 PolarHBondContact O-N 3.45Å; A218-A220 VanDerWaalsContact C-N 3.33Å; A220-S222 VanDerWaalsContact C-N 3.32Å; A220-S222 PolarHBondContact O-N 3.32Å; A220-V223 PolarHBondContact O-N 2.86Å; A220-A224 VanDerWaalsContact O-CB 3.31Å; A220-A224 WeakPolarHBondContact O-CB 3.43Å; A220-A224 PolarHBondContact O-N 3Å |
| 221 | V | 81.9 | Confident | 80.1 | Confident | 63 Ų | 63 | 80.8 Ų | 80.8 | 38% | 0.382 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -59.6 | -44.1 | 176.7 | 175.8 | 0 | 0 | 0 | 0 | 110.4 | L217 V223 K225 E241 | L217-V221 WeakPolarHBondContact O-CG2 3.3Å; L217-V221 PolarHBondContact O-N 2.91Å; V221-V223 PolarHBondContact O-N 3.43Å; V221-K225 HydrophobicContact CG1-CD 4.22Å; V221-K225 WeakPolarHBondContact O-CB 3.25Å; V221-K225 VanDerWaalsContact O-CG 3.32Å; V221-K225 WeakPolarHBondContact O-CG 3.46Å; V221-K225 PolarHBondContact O-N 3.19Å; V221-E241 WeakPolarHBondContact CG1-OE1 3.36Å |
| 222 | S | 79.6 | Confident | 80.5 | Confident | 55 Ų | 55 | 72.8 Ų | 72.8 | 39% | 0.385 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63.5 | -41.9 | 178.1 | 73.2 | 0 | 0 | 0 | 0 | 113.1 | A218 K219 A220 T226 | A218-S222 PolarHBondContact O-N 3.42Å; K219-S222 WeakPolarHBondContact CA-OG 3.27Å; K219-S222 PolarHBondContact O-N 2.91Å; K219-S222 PolarHBondContact O-OG 3.1Å; A220-S222 VanDerWaalsContact C-N 3.32Å; A220-S222 PolarHBondContact O-N 3.32Å; S222-T226 WeakPolarHBondContact O-CG2 3.31Å; S222-T226 PolarHBondContact O-N 3.25Å; S222-T226 VanDerWaalsContact O-N 3.07Å; S222-T226 PolarHBondContact O-OG1 3.05Å; S222-T226 VanDerWaalsContact O-OG1 3.09Å |
| 223 | V | 81.1 | Confident | 80.7 | Confident | 76 Ų | 76 | 79.7 Ų | 79.7 | 46% | 0.461 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -67.8 | -49.2 | -179.8 | 169.7 | 0 | 0 | 0 | 0 | 109.3 | K219 A220 V221 K225 T226 S227 | K219-V223 WeakPolarHBondContact O-CB 3.36Å; K219-V223 WeakPolarHBondContact O-CG2 3.35Å; K219-V223 PolarHBondContact O-N 2.94Å; A220-V223 PolarHBondContact O-N 2.86Å; V221-V223 PolarHBondContact O-N 3.43Å; V223-K225 VanDerWaalsContact C-N 3.3Å; V223-K225 PolarHBondContact O-N 3.25Å; V223-T226 WeakPolarHBondContact CA-OG1 3.42Å; V223-T226 PolarHBondContact O-N 3.39Å; V223-T226 VanDerWaalsContact O-N 3.13Å; V223-T226 PolarHBondContact O-OG1 3.21Å; V223-S227 WeakPolarHBondContact O-CB 3.18Å; V223-S227 PolarHBondContact O-N 3.46Å; V223-S227 PolarHBondContact O-OG 3.03Å |
| 224 | A | 83.5 | Confident | 80.8 | Confident | 59 Ų | 59 | 84.7 Ų | 84.7 | 49% | 0.488 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -55.8 | -43.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A220 S227 T228 | A220-A224 VanDerWaalsContact O-CB 3.31Å; A220-A224 WeakPolarHBondContact O-CB 3.43Å; A220-A224 PolarHBondContact O-N 3Å; A224-S227 PolarHBondContact O-N 2.97Å; A224-T228 PolarHBondContact O-N 3.15Å; A224-T228 PolarHBondContact O-OG1 2.87Å |
| 225 | K | 80.4 | Confident | 80.8 | Confident | 41 Ų | 41 | 78.8 Ų | 78.8 | 18% | 0.178 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -64.3 | -44.7 | 176.3 | -74.1 | -174.7 | 176.8 | -162.3 | 0 | 112.5 | V221 V223 S227 T228 V231 G232 E241 | V221-K225 HydrophobicContact CG1-CD 4.22Å; V221-K225 WeakPolarHBondContact O-CB 3.25Å; V221-K225 VanDerWaalsContact O-CG 3.32Å; V221-K225 WeakPolarHBondContact O-CG 3.46Å; V221-K225 PolarHBondContact O-N 3.19Å; V223-K225 VanDerWaalsContact C-N 3.3Å; V223-K225 PolarHBondContact O-N 3.25Å; K225-S227 VanDerWaalsContact C-N 3.28Å; K225-S227 PolarHBondContact O-N 3.21Å; K225-T228 PolarHBondContact O-N 3.44Å; K225-V231 CarbonylContact O-C 3.46Å; K225-V231 VanDerWaalsContact O-C 3.27Å; K225-G232 PolarHBondContact O-N 3.21Å; K225-E241 WeakPolarHBondContact CE-OE1 3.46Å; K225-E241 IonicContact NZ-OE1 2.57Å; K225-E241 PolarHBondContact NZ-OE1 3.29Å; K225-E241 IonicContact NZ-OE2 3.7Å; K225-E241 PolarHBondContact NZ-OE2 2.75Å |
| 226 | T | 79.2 | Confident | 81 | Confident | 85 Ų | 85 | 81 Ų | 81 | 52% | 0.521 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -68.8 | -27.7 | 177.7 | 52.5 | 0 | 0 | 0 | 0 | 113.4 | S222 V223 T228 V231 | S222-T226 WeakPolarHBondContact O-CG2 3.31Å; S222-T226 PolarHBondContact O-N 3.25Å; S222-T226 VanDerWaalsContact O-N 3.07Å; S222-T226 PolarHBondContact O-OG1 3.05Å; S222-T226 VanDerWaalsContact O-OG1 3.09Å; V223-T226 WeakPolarHBondContact CA-OG1 3.42Å; V223-T226 PolarHBondContact O-N 3.39Å; V223-T226 VanDerWaalsContact O-N 3.13Å; V223-T226 PolarHBondContact O-OG1 3.21Å; T226-T228 VanDerWaalsContact C-N 3.27Å; T226-T228 PolarHBondContact O-N 3.01Å; T226-V231 HydrophobicContact CG2-CG1 4.38Å |
| 227 | S | 82.7 | Confident | 81.2 | Confident | 93 Ų | 93 | 86.2 Ų | 86.2 | 65% | 0.65 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -6 | -180 | -65.7 | 0 | 0 | 0 | 0 | 113.6 | V223 A224 K225 | V223-S227 WeakPolarHBondContact O-CB 3.18Å; V223-S227 PolarHBondContact O-N 3.46Å; V223-S227 PolarHBondContact O-OG 3.03Å; A224-S227 PolarHBondContact O-N 2.97Å; K225-S227 VanDerWaalsContact C-N 3.28Å; K225-S227 PolarHBondContact O-N 3.21Å |
| 228 | T | 84.6 | Confident | 81.3 | Confident | 55 Ų | 55 | 88.1 Ų | 88.1 | 34% | 0.337 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -80 | 148.7 | 173 | -36.6 | 0 | 0 | 0 | 0 | 110.3 | A224 K225 T226 S230 V231 Q235 | A224-T228 PolarHBondContact O-N 3.15Å; A224-T228 PolarHBondContact O-OG1 2.87Å; K225-T228 PolarHBondContact O-N 3.44Å; T226-T228 VanDerWaalsContact C-N 3.27Å; T226-T228 PolarHBondContact O-N 3.01Å; T228-S230 PolarHBondContact O-N 2.99Å; T228-V231 PolarHBondContact O-N 3.28Å; T228-Q235 PolarHBondContact OG1-NE2 3.33Å |
| 229 | A | 83.9 | Confident | 81.3 | Confident | 112 Ų | 112 | 91.8 Ų | 91.8 | 93% | 0.926 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -27.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 230 | S | 84.2 | Confident | 81.5 | Confident | 32 Ų | 32 | 96.3 Ų | 96.3 | 22% | 0.224 | 53% | 0.531 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 7.3 | 177 | 59.4 | 0 | 0 | 0 | 0 | 114.8 | T228 G232 R233 Q235 | T228-S230 PolarHBondContact O-N 2.99Å; S230-G232 PolarHBondContact O-N 2.9Å; S230-G232 VanDerWaalsContact O-N 3.16Å; S230-R233 WeakPolarHBondContact O-CB 3.31Å; S230-R233 PolarHBondContact O-N 3.37Å; S230-Q235 PolarHBondContact OG-NE2 2.92Å; S230-Q235 PolarHBondContact OG-OE1 3.34Å; S230-Q235 VanDerWaalsContact OG-OE1 3.1Å |
| 231 | V | 81.2 | Confident | 81.2 | Confident | 103 Ų | 103 | 97.6 Ų | 97.6 | 62% | 0.624 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 38.4 | -179.2 | -161.6 | 0 | 0 | 0 | 0 | 112.2 | K225 T226 T228 R233 | K225-V231 CarbonylContact O-C 3.46Å; K225-V231 VanDerWaalsContact O-C 3.27Å; T226-V231 HydrophobicContact CG2-CG1 4.38Å; T228-V231 PolarHBondContact O-N 3.28Å; V231-R233 VanDerWaalsContact C-N 3.33Å; V231-R233 PolarHBondContact O-N 2.91Å |
| 232 | G | 80.9 | Confident | 80.8 | Confident | 10 Ų | 10 | 103 Ų | 103 | 10% | 0.103 | 55% | 0.551 | C | S | . | * | T | Hydrogen-bonded Turn | trans | 78.9 | 11.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | K225 S230 | K225-G232 PolarHBondContact O-N 3.21Å; S230-G232 PolarHBondContact O-N 2.9Å; S230-G232 VanDerWaalsContact O-N 3.16Å |
| 233 | R | 80 | Confident | 80.4 | Confident | 207 Ų | 207 | 104.5 Ų | 104.5 | 78% | 0.781 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -32.2 | -177.8 | -171.7 | 175.9 | -178 | -175.5 | -1.2 | 113.6 | S230 V231 | S230-R233 WeakPolarHBondContact O-CB 3.31Å; S230-R233 PolarHBondContact O-N 3.37Å; V231-R233 VanDerWaalsContact C-N 3.33Å; V231-R233 PolarHBondContact O-N 2.91Å |
| 234 | F | 81.7 | Confident | 79.7 | Confident | 162 Ų | 162 | 105.1 Ų | 105.1 | 71% | 0.711 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.8 | 18.2 | -177.3 | -59 | -65.7 | 0 | 0 | 0 | 112.1 | ||
| 235 | Q | 82.3 | Confident | 78.7 | Confident | 57 Ų | 57 | 111.5 Ų | 111.5 | 27% | 0.266 | 58% | 0.582 | S | S | . | * | S | Bend | trans | -104.4 | 124.5 | -179.3 | -76.5 | 72.9 | 9.9 | 0 | 0 | 108.7 | T228 S230 | T228-Q235 PolarHBondContact OG1-NE2 3.33Å; S230-Q235 PolarHBondContact OG-NE2 2.92Å; S230-Q235 PolarHBondContact OG-OE1 3.34Å; S230-Q235 VanDerWaalsContact OG-OE1 3.1Å |
| 236 | D | 81.8 | Confident | 77.5 | Confident | 160 Ų | 160 | 116.9 Ų | 116.9 | 86% | 0.856 | 61% | 0.612 | S | S | * | * | trans | -59.4 | 143.9 | 176 | -65.3 | -27.7 | 0 | 0 | 0 | 111 | ||||
| 237 | R | 79.9 | Confident | 76.6 | Confident | 153 Ų | 153 | 117.2 Ų | 117.2 | 58% | 0.577 | 62% | 0.618 | S | S | * | * | trans | -105.5 | 137.1 | -179.1 | -62 | -177.5 | -176.1 | 176 | 2.5 | 109.2 | ||||
| 238 | L | 81 | Confident | 75.5 | Confident | 131 Ų | 131 | 115.6 Ų | 115.6 | 69% | 0.686 | 62% | 0.616 | S | S | * | * | trans | -65.4 | 146.9 | 171.2 | -77.4 | 134 | 0 | 0 | 0 | 109.8 | K240 E241 | L238-K240 PolarHBondContact O-N 3Å; L238-E241 HydrophobicContact CB-CB 4.18Å; L238-E241 PolarHBondContact N-OE2 3.31Å; L238-E241 WeakPolarHBondContact O-CB 3.34Å; L238-E241 PolarHBondContact O-N 2.96Å | ||
| 239 | P | 80.3 | Confident | 74.7 | Confident | 136 Ų | 136 | 123.4 Ų | 123.4 | 88% | 0.883 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.9 | -24.6 | -172.7 | -28.2 | 34.2 | 0 | 0 | 0 | 115.8 | ||
| 240 | K | 81 | Confident | 73.8 | Confident | 203 Ų | 203 | 126.3 Ų | 126.3 | 88% | 0.883 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.5 | 15.1 | -180 | -63.7 | -178.2 | -179.3 | 176.2 | 0 | 113.2 | L238 | L238-K240 PolarHBondContact O-N 3Š|
| 241 | E | 74.4 | Confident | 73.1 | Confident | 57 Ų | 57 | 135.2 Ų | 135.2 | 27% | 0.266 | 67% | 0.666 | S | S | . | * | P | Polyproline II helix | trans | -76.1 | 128.3 | -179.7 | -159.3 | -172.2 | 152.9 | 0 | 0 | 111.2 | V221 K225 L238 | V221-E241 WeakPolarHBondContact CG1-OE1 3.36Å; K225-E241 WeakPolarHBondContact CE-OE1 3.46Å; K225-E241 IonicContact NZ-OE1 2.57Å; K225-E241 PolarHBondContact NZ-OE1 3.29Å; K225-E241 IonicContact NZ-OE2 3.7Å; K225-E241 PolarHBondContact NZ-OE2 2.75Å; L238-E241 HydrophobicContact CB-CB 4.18Å; L238-E241 PolarHBondContact N-OE2 3.31Å; L238-E241 WeakPolarHBondContact O-CB 3.34Å; L238-E241 PolarHBondContact O-N 2.96Å |
| 242 | K | 73.5 | Confident | 72.7 | Confident | 177 Ų | 177 | 139.6 Ų | 139.6 | 77% | 0.77 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -70 | 134.2 | 178.1 | -66.1 | -176.8 | -179.6 | -178.9 | 0 | 109.7 | ||
| 243 | P | 69.9 | Low | 72.5 | Confident | 86 Ų | 86 | 147.3 Ų | 147.3 | 56% | 0.558 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 147.3 | 175.9 | 26.2 | -33.7 | 0 | 0 | 0 | 110.7 | K245 | P243-K245 PolarHBondContact O-N 3Š|
| 244 | P | 66.6 | Low | 72.2 | Confident | 88 Ų | 88 | 144 Ų | 144 | 57% | 0.571 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 122.5 | -179.6 | 24.9 | -33.2 | 0 | 0 | 0 | 110.2 | N246 | P244-N246 PolarHBondContact O-N 3.28Å; P244-N246 VanDerWaalsContact O-N 3.13Å |
| 245 | K | 62.3 | Low | 72.1 | Confident | 193 Ų | 193 | 140.9 Ų | 140.9 | 84% | 0.839 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | 3.6 | -178.7 | -73.7 | -172.9 | 173.4 | -172 | 0 | 114.6 | P243 | P243-K245 PolarHBondContact O-N 3Š|
| 246 | N | 57.2 | Low | 71.7 | Confident | 154 Ų | 154 | 146.9 Ų | 146.9 | 82% | 0.824 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.4 | 32.7 | -174.8 | -70.4 | 0.1 | 0 | 0 | 0 | 113.2 | P244 G248 | P244-N246 PolarHBondContact O-N 3.28Å; P244-N246 VanDerWaalsContact O-N 3.13Å; N246-G248 VanDerWaalsContact C-N 3.34Å; N246-G248 PolarHBondContact O-N 3.01Å |
| 247 | S | 58.4 | Low | 71.5 | Confident | 93 Ų | 93 | 146.2 Ų | 146.2 | 65% | 0.65 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -65.5 | 104.9 | 153.4 | 60.6 | 0 | 0 | 0 | 0 | 105.7 | ||
| 248 | G | 61.4 | Low | 71.4 | Confident | 58 Ų | 58 | 140.6 Ų | 140.6 | 60% | 0.598 | 71% | 0.714 | S | S | * | * | trans | -45.6 | 151.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111 | N246 K250 | N246-G248 VanDerWaalsContact C-N 3.34Å; N246-G248 PolarHBondContact O-N 3.01Å; G248-K250 VanDerWaalsContact C-N 3.3Å; G248-K250 PolarHBondContact O-N 3.46Å | ||
| 249 | K | 66.4 | Low | 71.5 | Confident | 219 Ų | 219 | 139 Ų | 139 | 95% | 0.952 | 71% | 0.707 | S | S | * | * | trans | -50.6 | 93.8 | -179 | -88.5 | -178.7 | 175.6 | 178.7 | 0 | 110 | R251 | K249-R251 PolarHBondContact O-N 3.28Š| ||
| 250 | K | 64.6 | Low | 71.6 | Confident | 174 Ų | 174 | 139.8 Ų | 139.8 | 76% | 0.757 | 70% | 0.696 | S | S | * | * | trans | -70.7 | 126 | 168 | -69.1 | -169.4 | 176.3 | -173.3 | 0 | 105.3 | G248 K252 | G248-K250 VanDerWaalsContact C-N 3.3Å; G248-K250 PolarHBondContact O-N 3.46Å; K250-K252 PolarHBondContact O-N 2.82Å | ||
| 251 | R | 70.9 | Confident | 71.9 | Confident | 218 Ų | 218 | 135.4 Ų | 135.4 | 82% | 0.823 | 68% | 0.683 | S | S | * | * | trans | -61.1 | 105.7 | 171.7 | -61.8 | -178.2 | 88.2 | 157.5 | 2.9 | 106.1 | K249 F253 | K249-R251 PolarHBondContact O-N 3.28Å; R251-F253 HydrophobicContact CB-CE2 4.38Å | ||
| 252 | K | 72.6 | Confident | 72.5 | Confident | 196 Ų | 196 | 134.5 Ų | 134.5 | 85% | 0.852 | 68% | 0.683 | S | S | * | * | trans | -85.7 | 110.1 | 169 | -65.9 | -166.6 | 179 | -172 | 0 | 105.6 | K250 | K250-K252 PolarHBondContact O-N 2.82Š| ||
| 253 | F | 75.7 | Confident | 73 | Confident | 172 Ų | 172 | 130.5 Ų | 130.5 | 75% | 0.754 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 138 | 167.4 | -65.1 | -81.2 | 0 | 0 | 0 | 107.7 | R251 | R251-F253 HydrophobicContact CB-CE2 4.38Š|
| 254 | E | 75.3 | Confident | 73.9 | Confident | 136 Ų | 136 | 133 Ų | 133 | 64% | 0.636 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -74 | 145.7 | 173.7 | -61.5 | -169.4 | 157.5 | 0 | 0 | 109.1 | K266 | E254-K266 WeakPolarHBondContact OE1-CE 3.42Å; E254-K266 IonicContact OE1-NZ 2.73Å; E254-K266 PolarHBondContact OE1-NZ 3.35Å; E254-K266 IonicContact OE2-NZ 2.71Å; E254-K266 PolarHBondContact OE2-NZ 3.25Å |
| 255 | P | 79.4 | Confident | 75.1 | Confident | 98 Ų | 98 | 135 Ų | 135 | 64% | 0.636 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 150 | 175.3 | 26.9 | -33.8 | 0 | 0 | 0 | 110.6 | I257 | P255-I257 PolarHBondContact O-N 3.42Š|
| 256 | L | 72.4 | Confident | 76.2 | Confident | 182 Ų | 182 | 129.3 Ų | 129.3 | 95% | 0.953 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -64.4 | -26.8 | -176.9 | -158.8 | 73.7 | 0 | 0 | 0 | 112.9 | ||
| 257 | I | 77.6 | Confident | 77.7 | Confident | 146 Ų | 146 | 127.3 Ų | 127.3 | 75% | 0.749 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -121.5 | 109.3 | 171.7 | -61.7 | 168.9 | 0 | 0 | 0 | 106 | P255 | P255-I257 PolarHBondContact O-N 3.42Š|
| 258 | G | 79.3 | Confident | 79.3 | Confident | 35 Ų | 35 | 127 Ų | 127 | 36% | 0.361 | 62% | 0.622 | S | S | . | * | trans | -118.6 | -168.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113 | F260 | G258-F260 PolarHBondContact O-N 2.84Š| ||
| 259 | D | 83.2 | Confident | 80.6 | Confident | 98 Ų | 98 | 130.1 Ų | 130.1 | 52% | 0.524 | 62% | 0.621 | S | S | . | * | trans | -72.7 | 113.1 | 173.2 | 175.4 | 11.2 | 0 | 0 | 0 | 110.5 | N261 S262 E263 | D259-N261 PolarHBondContact O-N 3.03Å; D259-N261 PolarHBondContact OD1-N 3.43Å; D259-N261 VanDerWaalsContact OD1-N 3.1Å; D259-S262 WeakPolarHBondContact O-CB 3.4Å; D259-S262 PolarHBondContact O-N 2.96Å; D259-S262 PolarHBondContact O-OG 3.01Å; D259-E263 PolarHBondContact O-N 2.93Å; D259-E263 VanDerWaalsContact O-N 3.15Å | ||
| 260 | F | 82.7 | Confident | 81.5 | Confident | 152 Ų | 152 | 124.6 Ų | 124.6 | 67% | 0.667 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -56.6 | -30 | -178 | -62.7 | -70.1 | 0 | 0 | 0 | 113.5 | G258 K264 | G258-F260 PolarHBondContact O-N 2.84Å; F260-K264 WeakPolarHBondContact O-CB 3.5Å; F260-K264 PolarHBondContact O-N 3.23Å |
| 261 | N | 87.3 | Confident | 82.5 | Confident | 111 Ų | 111 | 121.8 Ų | 121.8 | 59% | 0.594 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -69.1 | -41.5 | 177 | -78 | -35.5 | 0 | 0 | 0 | 111.5 | D259 E263 K264 Q265 | D259-N261 PolarHBondContact O-N 3.03Å; D259-N261 PolarHBondContact OD1-N 3.43Å; D259-N261 VanDerWaalsContact OD1-N 3.1Å; N261-E263 VanDerWaalsContact C-N 3.33Å; N261-K264 PolarHBondContact O-N 3.23Å; N261-Q265 WeakPolarHBondContact O-CG 3.39Å; N261-Q265 PolarHBondContact O-N 3.14Å |
| 262 | S | 85.8 | Confident | 83.2 | Confident | 39 Ų | 39 | 118.8 Ų | 118.8 | 27% | 0.273 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -67 | -35.9 | 177.2 | 79.2 | 0 | 0 | 0 | 0 | 112.1 | D259 K266 | D259-S262 WeakPolarHBondContact O-CB 3.4Å; D259-S262 PolarHBondContact O-N 2.96Å; D259-S262 PolarHBondContact O-OG 3.01Å; S262-K266 WeakPolarHBondContact O-CG 3.42Å; S262-K266 PolarHBondContact O-N 3.06Å; S262-K266 VanDerWaalsContact O-N 3.12Å |
| 263 | E | 85.1 | Confident | 83.6 | Confident | 93 Ų | 93 | 113.8 Ų | 113.8 | 44% | 0.435 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -67.4 | -48 | 175.8 | -173.2 | 176.2 | -172.2 | 0 | 0 | 111.2 | D259 N261 Q265 K266 Q267 | D259-E263 PolarHBondContact O-N 2.93Å; D259-E263 VanDerWaalsContact O-N 3.15Å; N261-E263 VanDerWaalsContact C-N 3.33Å; E263-Q265 VanDerWaalsContact C-N 3.3Å; E263-Q265 PolarHBondContact O-N 3.45Å; E263-K266 PolarHBondContact O-N 3.43Å; E263-Q267 WeakPolarHBondContact O-CG 3.35Å; E263-Q267 PolarHBondContact O-N 3.48Å |
| 264 | K | 88.8 | Confident | 83.8 | Confident | 139 Ų | 139 | 113.1 Ų | 113.1 | 60% | 0.604 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -56.9 | -42.5 | 175.5 | -175.9 | 178 | -179.5 | 178 | 0 | 112.1 | F260 N261 Q267 L268 | F260-K264 WeakPolarHBondContact O-CB 3.5Å; F260-K264 PolarHBondContact O-N 3.23Å; N261-K264 PolarHBondContact O-N 3.23Å; K264-Q267 PolarHBondContact O-N 2.86Å; K264-L268 HydrophobicContact CG-CD1 4.2Å; K264-L268 WeakPolarHBondContact O-CB 3.4Å; K264-L268 WeakPolarHBondContact O-CG 3.27Å; K264-L268 PolarHBondContact O-N 2.88Å |
| 265 | Q | 90.3 | Very high | 84.1 | Confident | 128 Ų | 128 | 109.6 Ų | 109.6 | 60% | 0.598 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62.6 | -45.8 | 176.6 | -76 | 176.4 | -0.2 | 0 | 0 | 112.1 | N261 E263 Q267 L268 E269 | N261-Q265 WeakPolarHBondContact O-CG 3.39Å; N261-Q265 PolarHBondContact O-N 3.14Å; E263-Q265 VanDerWaalsContact C-N 3.3Å; E263-Q265 PolarHBondContact O-N 3.45Å; Q265-Q267 VanDerWaalsContact C-N 3.33Å; Q265-Q267 PolarHBondContact O-N 3.16Å; Q265-L268 PolarHBondContact O-N 2.74Å; Q265-E269 WeakPolarHBondContact O-CG 3.47Å; Q265-E269 PolarHBondContact O-N 2.97Å |
| 266 | K | 86.1 | Confident | 84 | Confident | 75 Ų | 75 | 107.4 Ų | 107.4 | 33% | 0.326 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -61.8 | -40.7 | 176 | -72 | 165.1 | -176.9 | 158.8 | 0 | 112.2 | E254 S262 E263 E269 L270 | E254-K266 WeakPolarHBondContact OE1-CE 3.42Å; E254-K266 IonicContact OE1-NZ 2.73Å; E254-K266 PolarHBondContact OE1-NZ 3.35Å; E254-K266 IonicContact OE2-NZ 2.71Å; E254-K266 PolarHBondContact OE2-NZ 3.25Å; S262-K266 WeakPolarHBondContact O-CG 3.42Å; S262-K266 PolarHBondContact O-N 3.06Å; S262-K266 VanDerWaalsContact O-N 3.12Å; E263-K266 PolarHBondContact O-N 3.43Å; K266-E269 PolarHBondContact O-N 3.04Å; K266-L270 WeakPolarHBondContact O-CB 3.46Å; K266-L270 WeakPolarHBondContact O-CG 3.38Å; K266-L270 PolarHBondContact O-N 3.04Å |
| 267 | Q | 88.9 | Confident | 84.1 | Confident | 112 Ų | 112 | 108.8 Ų | 108.8 | 52% | 0.523 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -66.4 | -39.5 | 176.8 | -68.4 | -157.6 | 4.9 | 0 | 0 | 112 | E263 K264 Q265 L270 L271 | E263-Q267 WeakPolarHBondContact O-CG 3.35Å; E263-Q267 PolarHBondContact O-N 3.48Å; K264-Q267 PolarHBondContact O-N 2.86Å; Q265-Q267 VanDerWaalsContact C-N 3.33Å; Q265-Q267 PolarHBondContact O-N 3.16Å; Q267-L270 PolarHBondContact O-N 2.84Å; Q267-L271 WeakPolarHBondContact O-CB 3.26Å; Q267-L271 PolarHBondContact O-N 3.33Å |
| 268 | L | 92.3 | Very high | 83.7 | Confident | 86 Ų | 86 | 106.9 Ų | 106.9 | 45% | 0.45 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -65.4 | -38.2 | 173 | -75.2 | 169.2 | 0 | 0 | 0 | 112.5 | K264 Q265 L271 K272 | K264-L268 HydrophobicContact CG-CD1 4.2Å; K264-L268 WeakPolarHBondContact O-CB 3.4Å; K264-L268 WeakPolarHBondContact O-CG 3.27Å; K264-L268 PolarHBondContact O-N 2.88Å; Q265-L268 PolarHBondContact O-N 2.74Å; L268-L271 PolarHBondContact O-N 3.46Å; L268-K272 WeakPolarHBondContact O-CG 3.46Å; L268-K272 PolarHBondContact O-N 3.38Å |
| 269 | E | 88.6 | Confident | 83.3 | Confident | 123 Ų | 123 | 110.2 Ų | 110.2 | 58% | 0.575 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -64.9 | -42.9 | 173.2 | -76.8 | -174.8 | 175 | 0 | 0 | 111.9 | Q265 K266 L271 K272 I273 | Q265-E269 WeakPolarHBondContact O-CG 3.47Å; Q265-E269 PolarHBondContact O-N 2.97Å; K266-E269 PolarHBondContact O-N 3.04Å; E269-L271 VanDerWaalsContact C-N 3.35Å; E269-L271 PolarHBondContact O-N 3.44Å; E269-K272 PolarHBondContact O-N 2.79Å; E269-I273 WeakPolarHBondContact O-CD1 3.33Å; E269-I273 VanDerWaalsContact O-CG1 3.23Å; E269-I273 WeakPolarHBondContact O-CG1 3.1Å; E269-I273 PolarHBondContact O-N 2.91Å |
| 270 | L | 84.5 | Confident | 82.6 | Confident | 103 Ų | 103 | 114.4 Ų | 114.4 | 54% | 0.539 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -60.2 | -44.2 | 173.6 | -77.8 | 168.4 | 0 | 0 | 0 | 111.6 | K266 Q267 K272 I273 M274 | K266-L270 WeakPolarHBondContact O-CB 3.46Å; K266-L270 WeakPolarHBondContact O-CG 3.38Å; K266-L270 PolarHBondContact O-N 3.04Å; Q267-L270 PolarHBondContact O-N 2.84Å; L270-K272 VanDerWaalsContact C-N 3.34Å; L270-K272 PolarHBondContact O-N 3.09Å; L270-I273 PolarHBondContact O-N 2.77Å; L270-M274 WeakPolarHBondContact O-CB 3.4Å; L270-M274 WeakPolarHBondContact O-CG 3.4Å; L270-M274 PolarHBondContact O-N 2.93Å |
| 271 | L | 87 | Confident | 82.1 | Confident | 115 Ų | 115 | 114 Ų | 114 | 60% | 0.602 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -60.4 | -40.8 | 174.7 | -98 | 150.5 | 0 | 0 | 0 | 112.4 | Q267 L268 E269 I273 M274 G275 | Q267-L271 WeakPolarHBondContact O-CB 3.26Å; Q267-L271 PolarHBondContact O-N 3.33Å; L268-L271 PolarHBondContact O-N 3.46Å; E269-L271 VanDerWaalsContact C-N 3.35Å; E269-L271 PolarHBondContact O-N 3.44Å; L271-I273 VanDerWaalsContact C-N 3.35Å; L271-M274 PolarHBondContact O-N 2.82Å; L271-G275 PolarHBondContact O-N 3.32Å |
| 272 | K | 85.6 | Confident | 81.6 | Confident | 156 Ų | 156 | 113 Ų | 113 | 68% | 0.678 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -64 | -40.6 | 174.4 | -74.2 | 173.4 | -176.4 | 179.3 | 0 | 111.8 | L268 E269 L270 G275 S276 | L268-K272 WeakPolarHBondContact O-CG 3.46Å; L268-K272 PolarHBondContact O-N 3.38Å; E269-K272 PolarHBondContact O-N 2.79Å; L270-K272 VanDerWaalsContact C-N 3.34Å; L270-K272 PolarHBondContact O-N 3.09Å; K272-G275 PolarHBondContact O-N 3.37Å; K272-S276 PolarHBondContact O-N 2.83Å; K272-S276 PolarHBondContact O-OG 3.32Å |
| 273 | I | 80.5 | Confident | 81.3 | Confident | 90 Ų | 90 | 117 Ų | 117 | 46% | 0.462 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -68.4 | -39.1 | 177.9 | -66.6 | 162.4 | 0 | 0 | 0 | 111.2 | E269 L270 L271 S276 | E269-I273 WeakPolarHBondContact O-CD1 3.33Å; E269-I273 VanDerWaalsContact O-CG1 3.23Å; E269-I273 WeakPolarHBondContact O-CG1 3.1Å; E269-I273 PolarHBondContact O-N 2.91Å; L270-I273 PolarHBondContact O-N 2.77Å; L271-I273 VanDerWaalsContact C-N 3.35Å; I273-S276 PolarHBondContact O-OG 2.69Å |
| 274 | M | 78.9 | Confident | 81 | Confident | 158 Ų | 158 | 117 Ų | 117 | 78% | 0.778 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -73.8 | -34.5 | 176.5 | -70.7 | -179.5 | 67.5 | 0 | 0 | 112.3 | L270 L271 | L270-M274 WeakPolarHBondContact O-CB 3.4Å; L270-M274 WeakPolarHBondContact O-CG 3.4Å; L270-M274 PolarHBondContact O-N 2.93Å; L271-M274 PolarHBondContact O-N 2.82Å |
| 275 | G | 81 | Confident | 80.8 | Confident | 62 Ų | 62 | 117.2 Ų | 117.2 | 64% | 0.639 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -74 | -26.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L271 K272 K277 | L271-G275 PolarHBondContact O-N 3.32Å; K272-G275 PolarHBondContact O-N 3.37Å; G275-K277 PolarHBondContact O-N 2.77Å |
| 276 | S | 78.3 | Confident | 80.4 | Confident | 52 Ų | 52 | 113.7 Ų | 113.7 | 36% | 0.364 | 60% | 0.595 | S | S | . | * | S | Bend | trans | -72.1 | 114.7 | 168.7 | 57.9 | 0 | 0 | 0 | 0 | 110 | K272 I273 T278 | K272-S276 PolarHBondContact O-N 2.83Å; K272-S276 PolarHBondContact O-OG 3.32Å; I273-S276 PolarHBondContact O-OG 2.69Å; S276-T278 PolarHBondContact O-N 3.37Å |
| 277 | K | 73.5 | Confident | 80.3 | Confident | 212 Ų | 212 | 113.2 Ų | 113.2 | 92% | 0.922 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -66.4 | 4.1 | 176.2 | -68 | -178.9 | 178.9 | -179.1 | 0 | 114.2 | G275 | G275-K277 PolarHBondContact O-N 2.77Š|
| 278 | T | 70.6 | Confident | 80.1 | Confident | 105 Ų | 105 | 112 Ų | 112 | 64% | 0.644 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -100.7 | 119.3 | -179.2 | 48.2 | 0 | 0 | 0 | 0 | 110.2 | S276 K280 | S276-T278 PolarHBondContact O-N 3.37Å; T278-K280 PolarHBondContact O-N 2.73Å |
| 279 | P | 71.3 | Confident | 79.9 | Confident | 105 Ų | 105 | 111.4 Ų | 111.4 | 68% | 0.682 | 60% | 0.596 | S | S | * | * | trans | -66.4 | 130.3 | 176.5 | 26.8 | -32.7 | 0 | 0 | 0 | 110 | L281 | P279-L281 PolarHBondContact O-N 3.4Š| ||
| 280 | K | 68.6 | Low | 79.8 | Confident | 187 Ų | 187 | 110.6 Ų | 110.6 | 81% | 0.813 | 59% | 0.592 | S | S | * | * | trans | -70.3 | 96.7 | 175 | -169.4 | 177.2 | -176.4 | 175.4 | 0 | 109.5 | T278 D282 | T278-K280 PolarHBondContact O-N 2.73Å; K280-D282 PolarHBondContact O-N 3.02Å | ||
| 281 | L | 71.1 | Confident | 79.8 | Confident | 142 Ų | 142 | 110 Ų | 110 | 74% | 0.743 | 59% | 0.587 | S | S | * | * | trans | -75.3 | 108.9 | 174.6 | -66.6 | 171.1 | 0 | 0 | 0 | 109.5 | P279 I283 | P279-L281 PolarHBondContact O-N 3.4Å; L281-I283 VanDerWaalsContact C-N 3.32Å; L281-I283 PolarHBondContact O-N 3.3Å | ||
| 282 | D | 77.1 | Confident | 79.8 | Confident | 90 Ų | 90 | 112.7 Ų | 112.7 | 48% | 0.481 | 59% | 0.589 | S | S | . | * | trans | -78.8 | 87 | 168.3 | -170.9 | -14.2 | 0 | 0 | 0 | 109.2 | K280 T284 K285 A286 | K280-D282 PolarHBondContact O-N 3.02Å; D282-T284 PolarHBondContact O-N 3.46Å; D282-T284 PolarHBondContact OD1-N 3.42Å; D282-T284 PolarHBondContact OD1-OG1 3.26Å; D282-K285 HydrophobicContact CB-CB 3.96Å; D282-K285 PolarHBondContact O-N 2.88Å; D282-K285 PolarHBondContact OD1-N 2.9Å; D282-A286 PolarHBondContact O-N 2.88Å | ||
| 283 | I | 79.2 | Confident | 79.9 | Confident | 123 Ų | 123 | 110.9 Ų | 110.9 | 63% | 0.631 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -53.6 | -37.9 | -178.5 | -55.4 | 169.2 | 0 | 0 | 0 | 110.4 | L281 A286 V287 | L281-I283 VanDerWaalsContact C-N 3.32Å; L281-I283 PolarHBondContact O-N 3.3Å; I283-A286 PolarHBondContact O-N 2.9Å; I283-V287 HydrophobicContact CG2-CG2 4.18Å; I283-V287 WeakPolarHBondContact O-CB 3.4Å; I283-V287 WeakPolarHBondContact O-CG2 3.34Å; I283-V287 PolarHBondContact O-N 3.45Å |
| 284 | T | 79.8 | Confident | 80.1 | Confident | 95 Ų | 95 | 111.1 Ų | 111.1 | 58% | 0.583 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -69.2 | -37.4 | -178.9 | 69.3 | 0 | 0 | 0 | 0 | 112.2 | D282 N288 | D282-T284 PolarHBondContact O-N 3.46Å; D282-T284 PolarHBondContact OD1-N 3.42Å; D282-T284 PolarHBondContact OD1-OG1 3.26Å; T284-N288 VanDerWaalsContact O-CB 3.3Å; T284-N288 WeakPolarHBondContact O-CB 3.38Å; T284-N288 PolarHBondContact O-N 2.97Å; T284-N288 VanDerWaalsContact O-N 3.1Å; T284-N288 PolarHBondContact O-ND2 2.82Å |
| 285 | K | 83.9 | Confident | 80.4 | Confident | 142 Ų | 142 | 108.8 Ų | 108.8 | 62% | 0.617 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -70.4 | -43.4 | 175.9 | -168.1 | 179.3 | 179.4 | -172.3 | 0 | 111 | D282 N288 T289 | D282-K285 HydrophobicContact CB-CB 3.96Å; D282-K285 PolarHBondContact O-N 2.88Å; D282-K285 PolarHBondContact OD1-N 2.9Å; K285-N288 PolarHBondContact O-N 2.93Å; K285-T289 PolarHBondContact O-N 2.8Å; K285-T289 PolarHBondContact O-OG1 3.45Å |
| 286 | A | 81.1 | Confident | 80.7 | Confident | 54 Ų | 54 | 114.3 Ų | 114.3 | 45% | 0.446 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -61.1 | -45.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | D282 I283 T289 Q290 | D282-A286 PolarHBondContact O-N 2.88Å; I283-A286 PolarHBondContact O-N 2.9Å; A286-T289 VanDerWaalsContact C-OG1 3.32Å; A286-T289 VanDerWaalsContact CA-OG1 3.31Å; A286-T289 WeakPolarHBondContact CA-OG1 3.37Å; A286-T289 PolarHBondContact O-N 3.27Å; A286-T289 PolarHBondContact O-OG1 3.28Å; A286-Q290 PolarHBondContact O-N 3.29Å |
| 287 | V | 84.2 | Confident | 81.1 | Confident | 65 Ų | 65 | 118.5 Ų | 118.5 | 39% | 0.394 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -66.5 | -39.2 | 177.1 | 172.4 | 0 | 0 | 0 | 0 | 111.2 | I283 Q290 M291 | I283-V287 HydrophobicContact CG2-CG2 4.18Å; I283-V287 WeakPolarHBondContact O-CB 3.4Å; I283-V287 WeakPolarHBondContact O-CG2 3.34Å; I283-V287 PolarHBondContact O-N 3.45Å; V287-Q290 PolarHBondContact O-N 3.24Å; V287-M291 HydrophobicContact CG1-CE 3.67Å; V287-M291 WeakPolarHBondContact O-CG 3.38Å; V287-M291 PolarHBondContact O-N 2.83Å |
| 288 | N | 86 | Confident | 81.5 | Confident | 87 Ų | 87 | 113.3 Ų | 113.3 | 47% | 0.465 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -69.1 | -32.7 | 176.4 | -76.6 | -35.1 | 0 | 0 | 0 | 113.3 | T284 K285 M291 R292 | T284-N288 VanDerWaalsContact O-CB 3.3Å; T284-N288 WeakPolarHBondContact O-CB 3.38Å; T284-N288 PolarHBondContact O-N 2.97Å; T284-N288 VanDerWaalsContact O-N 3.1Å; T284-N288 PolarHBondContact O-ND2 2.82Å; K285-N288 PolarHBondContact O-N 2.93Å; N288-M291 WeakPolarHBondContact OD1-CE 3.36Å; N288-R292 WeakPolarHBondContact O-CG 3.18Å; N288-R292 PolarHBondContact O-N 2.76Å |
| 289 | T | 86.9 | Confident | 82 | Confident | 73 Ų | 73 | 110.7 Ų | 110.7 | 45% | 0.448 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -68.2 | -42.7 | 172.3 | 37.3 | 0 | 0 | 0 | 0 | 111.2 | K285 A286 R292 E293 | K285-T289 PolarHBondContact O-N 2.8Å; K285-T289 PolarHBondContact O-OG1 3.45Å; A286-T289 VanDerWaalsContact C-OG1 3.32Å; A286-T289 VanDerWaalsContact CA-OG1 3.31Å; A286-T289 WeakPolarHBondContact CA-OG1 3.37Å; A286-T289 PolarHBondContact O-N 3.27Å; A286-T289 PolarHBondContact O-OG1 3.28Å; T289-R292 PolarHBondContact O-N 3.37Å; T289-E293 PolarHBondContact O-N 3.27Å |
| 290 | Q | 86.9 | Confident | 82.5 | Confident | 107 Ų | 107 | 108 Ų | 108 | 50% | 0.5 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.3 | -47.9 | 177.3 | -171.3 | -176.1 | -12.9 | 0 | 0 | 111.7 | A286 V287 R292 E293 E294 | A286-Q290 PolarHBondContact O-N 3.29Å; V287-Q290 PolarHBondContact O-N 3.24Å; Q290-R292 PolarHBondContact O-N 3.48Å; Q290-E293 PolarHBondContact O-N 3.27Å; Q290-E294 PolarHBondContact NE2-OE1 2.84Å; Q290-E294 WeakPolarHBondContact O-CG 3.23Å; Q290-E294 PolarHBondContact O-N 3.08Å |
| 291 | M | 84.1 | Confident | 83.1 | Confident | 90 Ų | 90 | 101.3 Ų | 101.3 | 44% | 0.443 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -57.8 | -36.6 | 175.7 | -77.9 | -165.6 | -87.5 | 0 | 0 | 112.4 | V287 N288 D295 | V287-M291 HydrophobicContact CG1-CE 3.67Å; V287-M291 WeakPolarHBondContact O-CG 3.38Å; V287-M291 PolarHBondContact O-N 2.83Å; N288-M291 WeakPolarHBondContact OD1-CE 3.36Å; M291-D295 WeakPolarHBondContact O-CB 3.06Å; M291-D295 PolarHBondContact O-N 3.24Å |
| 292 | R | 86.9 | Confident | 83.3 | Confident | 171 Ų | 171 | 103 Ų | 103 | 65% | 0.645 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -72.4 | -33.3 | 176.3 | -78.8 | -177.1 | -176.3 | -173.4 | 2.4 | 113.3 | N288 T289 Q290 R296 | N288-R292 WeakPolarHBondContact O-CG 3.18Å; N288-R292 PolarHBondContact O-N 2.76Å; T289-R292 PolarHBondContact O-N 3.37Å; Q290-R292 PolarHBondContact O-N 3.48Å; R292-R296 VanDerWaalsContact O-CB 3.31Å; R292-R296 WeakPolarHBondContact O-CB 3.44Å; R292-R296 WeakPolarHBondContact O-CG 3.5Å; R292-R296 PolarHBondContact O-N 2.94Å |
| 293 | E | 87.7 | Confident | 82.9 | Confident | 119 Ų | 119 | 108.5 Ų | 108.5 | 56% | 0.556 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -68.1 | -46.9 | 173.7 | -80.3 | 176.2 | 168.1 | 0 | 0 | 110.3 | T289 Q290 D295 R296 E297 | T289-E293 PolarHBondContact O-N 3.27Å; Q290-E293 PolarHBondContact O-N 3.27Å; E293-D295 PolarHBondContact O-N 2.99Å; E293-R296 CarbonylContact O-C 3.44Å; E293-R296 WeakPolarHBondContact O-CB 3.35Å; E293-R296 PolarHBondContact O-N 2.9Å; E293-R296 VanDerWaalsContact O-N 3.09Å; E293-E297 WeakPolarHBondContact O-CB 3.49Å; E293-E297 WeakPolarHBondContact O-CG 3.44Å; E293-E297 PolarHBondContact O-N 3.36Å |
| 294 | E | 85.4 | Confident | 82.4 | Confident | 95 Ų | 95 | 112.7 Ų | 112.7 | 44% | 0.444 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -57.6 | -46.7 | 173.9 | -71.5 | 173.5 | -174.4 | 0 | 0 | 111.5 | Q290 R296 E297 E298 | Q290-E294 PolarHBondContact NE2-OE1 2.84Å; Q290-E294 WeakPolarHBondContact O-CG 3.23Å; Q290-E294 PolarHBondContact O-N 3.08Å; E294-R296 VanDerWaalsContact C-N 3.32Å; E294-R296 PolarHBondContact O-N 2.7Å; E294-E297 PolarHBondContact O-N 3.13Å; E294-E298 WeakPolarHBondContact O-CB 3.4Å; E294-E298 PolarHBondContact O-N 2.95Å |
| 295 | D | 85.8 | Confident | 81.6 | Confident | 109 Ų | 109 | 116.9 Ų | 116.9 | 58% | 0.583 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -61.5 | -38.1 | 175.3 | -83 | -19.3 | 0 | 0 | 0 | 112.5 | M291 E293 A299 | M291-D295 WeakPolarHBondContact O-CB 3.06Å; M291-D295 PolarHBondContact O-N 3.24Å; E293-D295 PolarHBondContact O-N 2.99Å; D295-A299 VanDerWaalsContact O-CB 3.26Å; D295-A299 WeakPolarHBondContact O-CB 3.46Å; D295-A299 PolarHBondContact O-N 2.88Å |
| 296 | R | 85.8 | Confident | 80.2 | Confident | 177 Ų | 177 | 113 Ų | 113 | 67% | 0.668 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -71 | -41.2 | 177.8 | -81.3 | 173.7 | -178.2 | -174.8 | 0.7 | 111.6 | R292 E293 E294 A299 A300 | R292-R296 VanDerWaalsContact O-CB 3.31Å; R292-R296 WeakPolarHBondContact O-CB 3.44Å; R292-R296 WeakPolarHBondContact O-CG 3.5Å; R292-R296 PolarHBondContact O-N 2.94Å; E293-R296 CarbonylContact O-C 3.44Å; E293-R296 WeakPolarHBondContact O-CB 3.35Å; E293-R296 PolarHBondContact O-N 2.9Å; E293-R296 VanDerWaalsContact O-N 3.09Å; E294-R296 VanDerWaalsContact C-N 3.32Å; E294-R296 PolarHBondContact O-N 2.7Å; R296-A299 PolarHBondContact O-N 3.35Å; R296-A300 VanDerWaalsContact O-CB 3.27Å; R296-A300 WeakPolarHBondContact O-CB 3.35Å; R296-A300 PolarHBondContact O-N 3.1Å |
| 297 | E | 86.7 | Confident | 78.8 | Confident | 141 Ų | 141 | 114.5 Ų | 114.5 | 66% | 0.659 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -65.8 | -42.8 | 175.6 | -75.1 | -171.9 | 168.8 | 0 | 0 | 110.9 | E293 E294 A299 A300 A301 | E293-E297 WeakPolarHBondContact O-CB 3.49Å; E293-E297 WeakPolarHBondContact O-CG 3.44Å; E293-E297 PolarHBondContact O-N 3.36Å; E294-E297 PolarHBondContact O-N 3.13Å; E297-A299 VanDerWaalsContact C-N 3.34Å; E297-A299 PolarHBondContact O-N 3.5Å; E297-A300 PolarHBondContact O-N 3.21Å; E297-A301 VanDerWaalsContact O-CB 3.23Å; E297-A301 WeakPolarHBondContact O-CB 3.37Å; E297-A301 PolarHBondContact O-N 3.1Å |
| 298 | E | 83.1 | Confident | 77.1 | Confident | 103 Ų | 103 | 115 Ų | 115 | 48% | 0.481 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -59.6 | -44.6 | 171.5 | -84 | -155.8 | -171.6 | 0 | 0 | 111.7 | E294 A301 R302 | E294-E298 WeakPolarHBondContact O-CB 3.4Å; E294-E298 PolarHBondContact O-N 2.95Å; E298-A301 PolarHBondContact O-N 3.47Å; E298-R302 WeakPolarHBondContact O-CB 3.49Å; E298-R302 WeakPolarHBondContact O-CG 3.4Å; E298-R302 PolarHBondContact O-N 3.23Å; E298-R302 IonicContact OE2-CZ 2.72Å; E298-R302 IonicContact OE2-NE 2.62Å; E298-R302 IonicContact OE2-NH2 2.66Å; E298-R302 PolarHBondContact OE2-NH2 3.43Å |
| 299 | A | 80.5 | Confident | 75.4 | Confident | 50 Ų | 50 | 113.7 Ų | 113.7 | 41% | 0.413 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -65.1 | -39.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | D295 R296 E297 R302 R303 | D295-A299 VanDerWaalsContact O-CB 3.26Å; D295-A299 WeakPolarHBondContact O-CB 3.46Å; D295-A299 PolarHBondContact O-N 2.88Å; R296-A299 PolarHBondContact O-N 3.35Å; E297-A299 VanDerWaalsContact C-N 3.34Å; E297-A299 PolarHBondContact O-N 3.5Å; A299-R302 PolarHBondContact O-N 3.25Å; A299-R303 WeakPolarHBondContact O-CG 3.36Å; A299-R303 PolarHBondContact O-N 2.97Å |
| 300 | A | 82.1 | Confident | 73.2 | Confident | 48 Ų | 48 | 119.9 Ų | 119.9 | 40% | 0.397 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -68.8 | -40.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | R296 E297 R303 R304 | R296-A300 VanDerWaalsContact O-CB 3.27Å; R296-A300 WeakPolarHBondContact O-CB 3.35Å; R296-A300 PolarHBondContact O-N 3.1Å; E297-A300 PolarHBondContact O-N 3.21Å; A300-R303 PolarHBondContact O-N 3.15Å; A300-R304 WeakPolarHBondContact O-CB 3.38Å; A300-R304 PolarHBondContact O-N 3.05Å |
| 301 | A | 80.1 | Confident | 71.2 | Confident | 47 Ų | 47 | 118.6 Ų | 118.6 | 39% | 0.388 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -64.7 | -39.9 | 174 | 0 | 0 | 0 | 0 | 0 | 111.3 | E297 E298 R304 K305 | E297-A301 VanDerWaalsContact O-CB 3.23Å; E297-A301 WeakPolarHBondContact O-CB 3.37Å; E297-A301 PolarHBondContact O-N 3.1Å; E298-A301 PolarHBondContact O-N 3.47Å; A301-R304 PolarHBondContact O-N 3.08Å; A301-K305 WeakPolarHBondContact O-CB 3.47Å; A301-K305 WeakPolarHBondContact O-CG 3.34Å; A301-K305 PolarHBondContact O-N 3.01Å |
| 302 | R | 75.8 | Confident | 69 | Low | 176 Ų | 176 | 126 Ų | 126 | 66% | 0.664 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -64.2 | -39.6 | 172.2 | -72.5 | 173 | -166.5 | -166.3 | 10.4 | 111.9 | E298 A299 G306 | E298-R302 WeakPolarHBondContact O-CB 3.49Å; E298-R302 WeakPolarHBondContact O-CG 3.4Å; E298-R302 PolarHBondContact O-N 3.23Å; E298-R302 IonicContact OE2-CZ 2.72Å; E298-R302 IonicContact OE2-NE 2.62Å; E298-R302 IonicContact OE2-NH2 2.66Å; E298-R302 PolarHBondContact OE2-NH2 3.43Å; A299-R302 PolarHBondContact O-N 3.25Å; R302-G306 PolarHBondContact O-N 3.45Å |
| 303 | R | 69.6 | Low | 66.9 | Low | 207 Ų | 207 | 128 Ų | 128 | 78% | 0.781 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -66.5 | -43.6 | 174.1 | -79.6 | -178.4 | 170.6 | -172 | -2.2 | 112.6 | A299 A300 G306 A307 | A299-R303 WeakPolarHBondContact O-CG 3.36Å; A299-R303 PolarHBondContact O-N 2.97Å; A300-R303 PolarHBondContact O-N 3.15Å; R303-G306 PolarHBondContact O-N 3.49Å; R303-G306 VanDerWaalsContact O-N 3.15Å; R303-A307 PolarHBondContact O-N 3.21Å |
| 304 | R | 68.3 | Low | 64.3 | Low | 211 Ų | 211 | 125.7 Ų | 125.7 | 80% | 0.796 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -62.9 | -41.2 | 174.8 | -78.8 | -178.8 | 171.6 | 174.7 | -2.1 | 111.9 | A300 A301 G306 A307 G308 | A300-R304 WeakPolarHBondContact O-CB 3.38Å; A300-R304 PolarHBondContact O-N 3.05Å; A301-R304 PolarHBondContact O-N 3.08Å; R304-G306 VanDerWaalsContact C-N 3.29Å; R304-G306 PolarHBondContact O-N 3.19Å; R304-A307 PolarHBondContact O-N 3.5Å; R304-G308 PolarHBondContact O-N 3.3Å |
| 305 | K | 62 | Low | 62.2 | Low | 183 Ų | 183 | 128.7 Ų | 128.7 | 80% | 0.796 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -67.1 | -27.1 | 173.1 | -74.6 | -178.7 | 177.8 | 179.9 | 0 | 113.2 | A301 | A301-K305 WeakPolarHBondContact O-CB 3.47Å; A301-K305 WeakPolarHBondContact O-CG 3.34Å; A301-K305 PolarHBondContact O-N 3.01Å |
| 306 | G | 54.9 | Low | 59.7 | Low | 61 Ų | 61 | 130.3 Ų | 130.3 | 63% | 0.629 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -78.2 | -25.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | R302 R303 R304 | R302-G306 PolarHBondContact O-N 3.45Å; R303-G306 PolarHBondContact O-N 3.49Å; R303-G306 VanDerWaalsContact O-N 3.15Å; R304-G306 VanDerWaalsContact C-N 3.29Å; R304-G306 PolarHBondContact O-N 3.19Å |
| 307 | A | 52.6 | Low | 57.4 | Low | 85 Ų | 85 | 126.5 Ų | 126.5 | 70% | 0.702 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -83.4 | -15.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114 | R303 R304 G309 | R303-A307 PolarHBondContact O-N 3.21Å; R304-A307 PolarHBondContact O-N 3.5Å; A307-G309 PolarHBondContact O-N 3.02Å |
| 308 | G | 47.6 | Very low | 55.1 | Low | 76 Ų | 76 | 123.3 Ų | 123.3 | 78% | 0.784 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | 8.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | R304 | R304-G308 PolarHBondContact O-N 3.3Š|
| 309 | G | 51.3 | Low | 52.8 | Low | 58 Ų | 58 | 130.8 Ų | 130.8 | 60% | 0.598 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -143 | 58.7 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | A307 | A307-G309 PolarHBondContact O-N 3.02Š|
| 310 | K | 40.4 | Very low | 50.8 | Low | 203 Ų | 203 | 131.9 Ų | 131.9 | 88% | 0.883 | 76% | 0.755 | S | S | * | * | trans | -176.3 | 94.6 | 148 | -106.7 | 171 | -178.1 | -177.3 | 0 | 110.3 | ||||
| 311 | G | 43.9 | Very low | 48.9 | Very low | 81 Ų | 81 | 140 Ų | 140 | 84% | 0.835 | 78% | 0.782 | S | S | * | * | trans | -72.9 | 132.9 | 150.9 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 312 | R | 39.5 | Very low | 46.8 | Very low | 244 Ų | 244 | 141.5 Ų | 141.5 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | trans | -154 | 115.2 | 150.1 | -159.5 | 167.7 | 173.6 | 165.7 | -2.9 | 110.2 | ||||
| 313 | K | 41.1 | Very low | 45.1 | Very low | 213 Ų | 213 | 143.7 Ų | 143.7 | 93% | 0.926 | 82% | 0.815 | S | S | * | * | trans | -42.2 | 136.6 | 159.6 | -88.1 | 171.5 | 164.4 | 175.2 | 0 | 111 | ||||
| 314 | G | 33.7 | Very low | 43.6 | Very low | 71 Ų | 71 | 141 Ų | 141 | 73% | 0.732 | 85% | 0.853 | S | S | * | * | trans | -159.7 | 96.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 315 | N | 41.3 | Very low | 42.4 | Very low | 159 Ų | 159 | 137.6 Ų | 137.6 | 85% | 0.85 | 86% | 0.855 | S | S | * | * | trans | -63.8 | 129.8 | 171.6 | -169.6 | 30.3 | 0 | 0 | 0 | 110.1 | ||||
| 316 | T | 33.8 | Very low | 41.4 | Very low | 143 Ų | 143 | 135.2 Ų | 135.2 | 88% | 0.877 | 86% | 0.859 | S | S | * | * | trans | -155.2 | 117.4 | 155.6 | 20.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 317 | A | 37.7 | Very low | 40.6 | Very low | 97 Ų | 97 | 139.3 Ų | 139.3 | 80% | 0.802 | 87% | 0.871 | S | S | * | * | trans | -78.9 | 154.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 318 | G | 38.4 | Very low | 39.9 | Very low | 74 Ų | 74 | 142.5 Ų | 142.5 | 76% | 0.763 | 88% | 0.881 | S | S | * | * | trans | 88.7 | 98.5 | 138.6 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 319 | R | 35 | Very low | 39.4 | Very low | 259 Ų | 259 | 146.6 Ų | 146.6 | 98% | 0.977 | 89% | 0.887 | S | S | * | * | trans | 163.3 | 132.3 | 137.9 | -104.4 | 169.4 | 147.9 | 167.7 | -7.9 | 106.2 | ||||
| 320 | G | 37 | Very low | 38.6 | Very low | 73 Ų | 73 | 152.5 Ų | 152.5 | 75% | 0.753 | 91% | 0.907 | S | S | * | * | cis | 141.9 | 125.8 | 28 | 0 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 321 | K | 42.7 | Very low | 38.5 | Very low | 220 Ų | 220 | 148.9 Ų | 148.9 | 96% | 0.957 | 91% | 0.908 | S | S | * | * | trans | -30.4 | 147.9 | 178.3 | -101.7 | 169.7 | 169.7 | 174.8 | 0 | 116.6 | ||||
| 322 | G | 35.1 | Very low | 38.1 | Very low | 77 Ų | 77 | 154.2 Ų | 154.2 | 79% | 0.794 | 91% | 0.914 | S | S | * | * | trans | -171.1 | 93.5 | 153.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 323 | K | 41.2 | Very low | 38 | Very low | 222 Ų | 222 | 146.7 Ų | 146.7 | 97% | 0.965 | 91% | 0.914 | S | S | * | * | trans | -70.5 | 135.9 | 158 | -85.2 | -177.8 | 171.3 | -175.5 | 0 | 107.7 | ||||
| 324 | G | 38.7 | Very low | 37.7 | Very low | 152 Ų | 152 | 140.6 Ų | 140.6 | 100% | 1.567 | 91% | 0.912 | S | S | * | * | trans | -166.1 | 0 | 168.2 | 0 | 0 | 0 | 0 | 0 | 107.1 |
Retrieved 324 of 324 residues in 177.6 ms
(Link to these results)