| 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 | 46 | Very low | 47.5 | Very low | 246 Ų | 246 | 148.5 Ų | 148.5 | 100% | 1.212 | 82% | 0.823 | S | S | * | * | 0 | 172.3 | 0 | -56.6 | -171.2 | -159.6 | 0 | 0 | 108.1 | |||||
| 2 | A | 41.7 | Very low | 48.5 | Very low | 88 Ų | 88 | 145.1 Ų | 145.1 | 73% | 0.727 | 83% | 0.829 | S | S | * | * | trans | 75.9 | 64.8 | -166.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 3 | D | 41.6 | Very low | 49.5 | Very low | 150 Ų | 150 | 142.2 Ų | 142.2 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | 54 | 117.9 | 114.4 | -44.3 | -14.1 | 0 | 0 | 0 | 119.5 | |||||
| 4 | I | 47.3 | Very low | 51.1 | Low | 167 Ų | 167 | 136.4 Ų | 136.4 | 86% | 0.856 | 78% | 0.779 | S | S | * | * | trans | -90.2 | 124.3 | 163.6 | -63.9 | 171 | 0 | 0 | 0 | 107.9 | E6 | I4-E6 PolarHBondContact O-N 3.45Š| ||
| 5 | I | 49.1 | Very low | 52.3 | Low | 149 Ų | 149 | 134.7 Ų | 134.7 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | trans | -84.2 | 110.6 | 176.4 | -61.8 | 176.1 | 0 | 0 | 0 | 109.4 | L7 | I5-L7 PolarHBondContact O-N 3.19Š| ||
| 6 | E | 44.5 | Very low | 53.4 | Low | 186 Ų | 186 | 132.1 Ų | 132.1 | 87% | 0.869 | 76% | 0.762 | S | S | * | * | trans | -82.2 | 110.4 | 175.4 | -135.6 | 179.7 | -174.1 | 0 | 0 | 110.6 | I4 G8 | I4-E6 PolarHBondContact O-N 3.45Å; E6-G8 PolarHBondContact O-N 3.46Å | ||
| 7 | L | 47.2 | Very low | 54.3 | Low | 165 Ų | 165 | 129.4 Ų | 129.4 | 86% | 0.864 | 74% | 0.743 | S | S | * | * | trans | -84.3 | 86.8 | 174.6 | -79.8 | 167.9 | 0 | 0 | 0 | 110.4 | I5 | I5-L7 PolarHBondContact O-N 3.19Š| ||
| 8 | G | 44.3 | Very low | 55.3 | Low | 64 Ų | 64 | 125.2 Ų | 125.2 | 66% | 0.66 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 141.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | E6 A10 | E6-G8 PolarHBondContact O-N 3.46Å; G8-A10 PolarHBondContact O-N 3.45Å |
| 9 | P | 49.7 | Very low | 56.3 | Low | 132 Ų | 132 | 121 Ų | 121 | 86% | 0.857 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 127.1 | -179.6 | 28.7 | -34.3 | 0 | 0 | 0 | 111.7 | ||
| 10 | A | 52.7 | Low | 57.5 | Low | 73 Ų | 73 | 122.5 Ų | 122.5 | 60% | 0.603 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -73 | 164.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | G8 | G8-A10 PolarHBondContact O-N 3.45Š|
| 11 | Y | 58.8 | Low | 58.5 | Low | 213 Ų | 213 | 121.4 Ų | 121.4 | 84% | 0.835 | 70% | 0.701 | S | S | * | * | trans | 74.4 | 53.2 | 170.3 | -43 | -67.3 | 0 | 0 | 0 | 117.4 | M13 | Y11-M13 PolarHBondContact O-N 2.86Š| ||
| 12 | A | 58.9 | Low | 60.1 | Low | 108 Ų | 108 | 111.7 Ų | 111.7 | 89% | 0.893 | 67% | 0.665 | S | S | * | * | trans | -65.9 | 80.3 | 156 | 0 | 0 | 0 | 0 | 0 | 111.1 | S14 | A12-S14 PolarHBondContact O-N 2.94Š| ||
| 13 | M | 62.3 | Low | 62 | Low | 108 Ų | 108 | 110 Ų | 110 | 53% | 0.532 | 65% | 0.651 | S | S | . | * | trans | -65.1 | 122.8 | 174.7 | -79.3 | -74 | -77.6 | 0 | 0 | 110.7 | Y11 L17 L21 | Y11-M13 PolarHBondContact O-N 2.86Å; M13-L17 HydrophobicContact CE-CD2 3.64Å; M13-L17 HydrophobicContact CE-CG 3.91Å; M13-L17 HydrophobicContact SD-CD2 3.94Å; M13-L21 HydrophobicContact CE-CD1 3.81Å | ||
| 14 | S | 71.4 | Confident | 64.2 | Low | 61 Ų | 61 | 104.8 Ų | 104.8 | 43% | 0.427 | 63% | 0.632 | S | S | . | * | trans | -58.8 | 135.3 | 177.9 | 173.6 | 0 | 0 | 0 | 0 | 111.3 | A12 V16 L17 A18 | A12-S14 PolarHBondContact O-N 2.94Å; S14-V16 PolarHBondContact O-N 3.47Å; S14-V16 VanDerWaalsContact O-N 3.14Å; S14-V16 PolarHBondContact OG-N 2.99Å; S14-L17 WeakPolarHBondContact O-CB 3.46Å; S14-L17 PolarHBondContact O-N 3.1Å; S14-A18 PolarHBondContact O-N 3.37Å; S14-A18 VanDerWaalsContact O-N 3.1Å | ||
| 15 | P | 68.4 | Low | 66.3 | Low | 110 Ų | 110 | 101.3 Ų | 101.3 | 71% | 0.714 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -60.8 | -25.6 | 179.7 | 24.3 | -34.1 | 0 | 0 | 0 | 112.8 | G19 | P15-G19 PolarHBondContact O-N 3.14Å |
| 16 | V | 70.4 | Confident | 68.2 | Low | 94 Ų | 94 | 99.7 Ų | 99.7 | 57% | 0.57 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -64.1 | -43.5 | 172.8 | 180 | 0 | 0 | 0 | 0 | 111 | S14 G19 F20 | S14-V16 PolarHBondContact O-N 3.47Å; S14-V16 VanDerWaalsContact O-N 3.14Å; S14-V16 PolarHBondContact OG-N 2.99Å; V16-G19 PolarHBondContact O-N 3.09Å; V16-F20 HydrophobicContact CG1-CD2 4Å; V16-F20 HydrophobicContact CG1-CE2 3.7Å; V16-F20 VanDerWaalsContact O-CD2 3.24Å; V16-F20 WeakPolarHBondContact O-CD2 3.24Å; V16-F20 PolarHBondContact O-N 3.25Å; V16-F20 VanDerWaalsContact O-N 3.09Å |
| 17 | L | 69 | Low | 70.4 | Confident | 86 Ų | 86 | 95.3 Ų | 95.3 | 45% | 0.45 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -71 | -36.7 | -180 | -172.3 | 59.5 | 0 | 0 | 0 | 111.5 | M13 S14 G19 F20 L21 | M13-L17 HydrophobicContact CE-CD2 3.64Å; M13-L17 HydrophobicContact CE-CG 3.91Å; M13-L17 HydrophobicContact SD-CD2 3.94Å; S14-L17 WeakPolarHBondContact O-CB 3.46Å; S14-L17 PolarHBondContact O-N 3.1Å; L17-G19 VanDerWaalsContact C-N 3.32Å; L17-G19 PolarHBondContact O-N 3.38Å; L17-F20 PolarHBondContact O-N 3.49Å; L17-L21 WeakPolarHBondContact O-CG 3.38Å; L17-L21 PolarHBondContact O-N 3.39Å |
| 18 | A | 72.4 | Confident | 72.6 | Confident | 53 Ų | 53 | 92.9 Ų | 92.9 | 44% | 0.438 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -60.7 | -40.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112 | S14 L21 G22 | S14-A18 PolarHBondContact O-N 3.37Å; S14-A18 VanDerWaalsContact O-N 3.1Å; A18-L21 PolarHBondContact O-N 2.94Å; A18-G22 PolarHBondContact O-N 3.04Å |
| 19 | G | 73.9 | Confident | 75 | Confident | 46 Ų | 46 | 93.3 Ų | 93.3 | 47% | 0.474 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -60.6 | -46.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | P15 V16 L17 G22 A23 | P15-G19 PolarHBondContact O-N 3.14Å; V16-G19 PolarHBondContact O-N 3.09Å; L17-G19 VanDerWaalsContact C-N 3.32Å; L17-G19 PolarHBondContact O-N 3.38Å; G19-G22 PolarHBondContact O-N 2.97Å; G19-A23 WeakPolarHBondContact O-CB 3.4Å; G19-A23 PolarHBondContact O-N 3.36Å |
| 20 | F | 79.4 | Confident | 77 | Confident | 151 Ų | 151 | 90.7 Ų | 90.7 | 66% | 0.662 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -64 | -39.7 | 176.1 | -78.5 | -65.7 | 0 | 0 | 0 | 112.9 | V16 L17 A23 G24 | V16-F20 HydrophobicContact CG1-CD2 4Å; V16-F20 HydrophobicContact CG1-CE2 3.7Å; V16-F20 VanDerWaalsContact O-CD2 3.24Å; V16-F20 WeakPolarHBondContact O-CD2 3.24Å; V16-F20 PolarHBondContact O-N 3.25Å; V16-F20 VanDerWaalsContact O-N 3.09Å; L17-F20 PolarHBondContact O-N 3.49Å; F20-A23 PolarHBondContact O-N 2.95Å; F20-G24 PolarHBondContact O-N 3.46Å |
| 21 | L | 79.4 | Confident | 79 | Confident | 99 Ų | 99 | 90.9 Ų | 90.9 | 52% | 0.518 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.5 | -44.9 | 174.7 | -72.6 | 166.8 | 0 | 0 | 0 | 111.6 | M13 L17 A18 A23 G24 V25 | M13-L21 HydrophobicContact CE-CD1 3.81Å; L17-L21 WeakPolarHBondContact O-CG 3.38Å; L17-L21 PolarHBondContact O-N 3.39Å; A18-L21 PolarHBondContact O-N 2.94Å; L21-A23 PolarHBondContact O-N 2.97Å; L21-G24 PolarHBondContact O-N 3.49Å; L21-V25 WeakPolarHBondContact O-CG2 3.48Å; L21-V25 PolarHBondContact O-N 3.35Å |
| 22 | G | 80.5 | Confident | 80.7 | Confident | 43 Ų | 43 | 84 Ų | 84 | 44% | 0.443 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.5 | -44 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | A18 G19 V25 L26 | A18-G22 PolarHBondContact O-N 3.04Å; G19-G22 PolarHBondContact O-N 2.97Å; G22-V25 PolarHBondContact O-N 3.47Å; G22-L26 WeakPolarHBondContact O-CB 3.45Å; G22-L26 PolarHBondContact O-N 3.46Å |
| 23 | A | 81.1 | Confident | 82.3 | Confident | 53 Ų | 53 | 83.8 Ų | 83.8 | 44% | 0.438 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.6 | -42 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | G19 F20 L21 L26 V27 | G19-A23 WeakPolarHBondContact O-CB 3.4Å; G19-A23 PolarHBondContact O-N 3.36Å; F20-A23 PolarHBondContact O-N 2.95Å; L21-A23 PolarHBondContact O-N 2.97Å; A23-L26 PolarHBondContact O-N 3.31Å; A23-V27 WeakPolarHBondContact O-CG2 3.36Å; A23-V27 PolarHBondContact O-N 3.29Å |
| 24 | G | 86.7 | Confident | 83.7 | Confident | 40 Ų | 40 | 82.8 Ų | 82.8 | 41% | 0.412 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.3 | -46 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | F20 L21 V27 L28 | F20-G24 PolarHBondContact O-N 3.46Å; L21-G24 PolarHBondContact O-N 3.49Å; G24-V27 PolarHBondContact O-N 3.42Å; G24-L28 WeakPolarHBondContact O-CB 3.37Å; G24-L28 PolarHBondContact O-N 3Å |
| 25 | V | 91.5 | Very high | 84.7 | Confident | 94 Ų | 94 | 84.3 Ų | 84.3 | 57% | 0.57 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.9 | -43.4 | 175.6 | 171.6 | 0 | 0 | 0 | 0 | 111.2 | L21 G22 V27 L28 V29 | L21-V25 WeakPolarHBondContact O-CG2 3.48Å; L21-V25 PolarHBondContact O-N 3.35Å; G22-V25 PolarHBondContact O-N 3.47Å; V25-V27 PolarHBondContact O-N 2.93Å; V25-L28 PolarHBondContact O-N 3.24Å; V25-V29 HydrophobicContact CG1-CG2 4.36Å; V25-V29 WeakPolarHBondContact O-CG2 3.38Å; V25-V29 PolarHBondContact O-N 3.05Å |
| 26 | L | 89 | Confident | 85.8 | Confident | 115 Ų | 115 | 83.8 Ų | 83.8 | 60% | 0.602 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.1 | -46.1 | 178.5 | -176 | 66.9 | 0 | 0 | 0 | 112 | G22 A23 L28 V29 V30 | G22-L26 WeakPolarHBondContact O-CB 3.45Å; G22-L26 PolarHBondContact O-N 3.46Å; A23-L26 PolarHBondContact O-N 3.31Å; L26-L28 VanDerWaalsContact C-N 3.34Å; L26-L28 PolarHBondContact O-N 3.02Å; L26-V29 PolarHBondContact O-N 2.95Å; L26-V30 WeakPolarHBondContact O-CG2 3.46Å; L26-V30 PolarHBondContact O-N 3.06Å |
| 27 | V | 91.4 | Very high | 86.8 | Confident | 94 Ų | 94 | 88.3 Ų | 88.3 | 57% | 0.57 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.1 | -43.5 | 176.3 | 171.1 | 0 | 0 | 0 | 0 | 111 | A23 G24 V25 V30 V31 | A23-V27 WeakPolarHBondContact O-CG2 3.36Å; A23-V27 PolarHBondContact O-N 3.29Å; G24-V27 PolarHBondContact O-N 3.42Å; V25-V27 PolarHBondContact O-N 2.93Å; V27-V30 PolarHBondContact O-N 2.99Å; V27-V31 HydrophobicContact CG1-CG2 4.48Å; V27-V31 WeakPolarHBondContact O-CG2 3.42Å; V27-V31 PolarHBondContact O-N 3.42Å |
| 28 | L | 92.7 | Very high | 87.6 | Confident | 114 Ų | 114 | 86.4 Ų | 86.4 | 60% | 0.597 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.6 | -42.8 | -179.3 | -152 | 162.2 | 0 | 0 | 0 | 111.3 | G24 V25 L26 V31 V32 | G24-L28 WeakPolarHBondContact O-CB 3.37Å; G24-L28 PolarHBondContact O-N 3Å; V25-L28 PolarHBondContact O-N 3.24Å; L26-L28 VanDerWaalsContact C-N 3.34Å; L26-L28 PolarHBondContact O-N 3.02Å; L28-V31 PolarHBondContact O-N 3.35Å; L28-V32 HydrophobicContact CD2-CG2 4.07Å; L28-V32 WeakPolarHBondContact O-CG2 3.36Å; L28-V32 PolarHBondContact O-N 3.47Å |
| 29 | V | 94.4 | Very high | 88.4 | Confident | 73 Ų | 73 | 90.1 Ų | 90.1 | 44% | 0.442 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.8 | -45.6 | 173.8 | 170.2 | 0 | 0 | 0 | 0 | 111.7 | V25 L26 V31 V32 L33 | V25-V29 HydrophobicContact CG1-CG2 4.36Å; V25-V29 WeakPolarHBondContact O-CG2 3.38Å; V25-V29 PolarHBondContact O-N 3.05Å; L26-V29 PolarHBondContact O-N 2.95Å; V29-V31 PolarHBondContact O-N 2.94Å; V29-V32 PolarHBondContact O-N 3.28Å; V29-L33 HydrophobicContact CG1-CD1 4.04Å; V29-L33 HydrophobicContact CG1-CG 4.47Å; V29-L33 WeakPolarHBondContact O-CG 3.33Å; V29-L33 PolarHBondContact O-N 3.46Å |
| 30 | V | 92.4 | Very high | 88.9 | Confident | 77 Ų | 77 | 92 Ų | 92 | 47% | 0.467 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.3 | -41.9 | 177.7 | 170.7 | 0 | 0 | 0 | 0 | 111.5 | L26 V27 L33 V34 | L26-V30 WeakPolarHBondContact O-CG2 3.46Å; L26-V30 PolarHBondContact O-N 3.06Å; V27-V30 PolarHBondContact O-N 2.99Å; V30-L33 PolarHBondContact O-N 3.5Å; V30-V34 HydrophobicContact CG1-CG2 4.5Å; V30-V34 WeakPolarHBondContact O-CG2 3.36Å; V30-V34 PolarHBondContact O-N 3.5Å |
| 31 | V | 94.3 | Very high | 88.9 | Confident | 77 Ų | 77 | 89.8 Ų | 89.8 | 47% | 0.467 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.9 | -44.3 | 175.7 | 169.3 | 0 | 0 | 0 | 0 | 111.4 | V27 L28 V29 L33 V34 L35 | V27-V31 HydrophobicContact CG1-CG2 4.48Å; V27-V31 WeakPolarHBondContact O-CG2 3.42Å; V27-V31 PolarHBondContact O-N 3.42Å; L28-V31 PolarHBondContact O-N 3.35Å; V29-V31 PolarHBondContact O-N 2.94Å; V31-L33 PolarHBondContact O-N 3.38Å; V31-V34 PolarHBondContact O-N 3.3Å; V31-L35 HydrophobicContact CG1-CD1 3.99Å; V31-L35 WeakPolarHBondContact O-CB 3.4Å; V31-L35 VanDerWaalsContact O-CG 3.31Å; V31-L35 WeakPolarHBondContact O-CG 3.48Å; V31-L35 PolarHBondContact O-N 2.97Å |
| 32 | V | 94.4 | Very high | 88.8 | Confident | 67 Ų | 67 | 93.1 Ų | 93.1 | 41% | 0.406 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.4 | -43 | 176.6 | 170.2 | 0 | 0 | 0 | 0 | 111.4 | L28 V29 L35 L36 | L28-V32 HydrophobicContact CD2-CG2 4.07Å; L28-V32 WeakPolarHBondContact O-CG2 3.36Å; L28-V32 PolarHBondContact O-N 3.47Å; V29-V32 PolarHBondContact O-N 3.28Å; V32-L35 PolarHBondContact O-N 2.88Å; V32-L36 HydrophobicContact CG1-CD1 3.9Å; V32-L36 HydrophobicContact CG1-CG 4.35Å; V32-L36 WeakPolarHBondContact O-CB 3.39Å; V32-L36 WeakPolarHBondContact O-CG 3.42Å; V32-L36 PolarHBondContact O-N 2.97Å |
| 33 | L | 94.1 | Very high | 88.7 | Confident | 105 Ų | 105 | 99.8 Ų | 99.8 | 55% | 0.55 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.9 | -42.8 | 176.9 | -72.5 | 173.3 | 0 | 0 | 0 | 112.5 | V29 V30 V31 L35 L36 W37 | V29-L33 HydrophobicContact CG1-CD1 4.04Å; V29-L33 HydrophobicContact CG1-CG 4.47Å; V29-L33 WeakPolarHBondContact O-CG 3.33Å; V29-L33 PolarHBondContact O-N 3.46Å; V30-L33 PolarHBondContact O-N 3.5Å; V31-L33 PolarHBondContact O-N 3.38Å; L33-L35 VanDerWaalsContact C-N 3.34Å; L33-L35 PolarHBondContact O-N 3.34Å; L33-L36 PolarHBondContact O-N 2.9Å; L33-W37 WeakPolarHBondContact O-CB 3.33Å; L33-W37 PolarHBondContact O-N 3.38Å |
| 34 | V | 91.2 | Very high | 88.3 | Confident | 87 Ų | 87 | 104.9 Ų | 104.9 | 53% | 0.527 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.8 | -36.7 | 176.4 | 170.6 | 0 | 0 | 0 | 0 | 111.7 | V30 V31 S38 | V30-V34 HydrophobicContact CG1-CG2 4.5Å; V30-V34 WeakPolarHBondContact O-CG2 3.36Å; V30-V34 PolarHBondContact O-N 3.5Å; V31-V34 PolarHBondContact O-N 3.3Å; V34-S38 WeakPolarHBondContact O-CB 3.47Å; V34-S38 PolarHBondContact O-N 3.28Å; V34-S38 PolarHBondContact O-OG 2.83Å |
| 35 | L | 92.3 | Very high | 87.4 | Confident | 93 Ų | 93 | 108 Ų | 108 | 49% | 0.487 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67.1 | -46.5 | 173.9 | -72.6 | 171.4 | 0 | 0 | 0 | 111.6 | V31 V32 L33 W37 S38 F39 | V31-L35 HydrophobicContact CG1-CD1 3.99Å; V31-L35 WeakPolarHBondContact O-CB 3.4Å; V31-L35 VanDerWaalsContact O-CG 3.31Å; V31-L35 WeakPolarHBondContact O-CG 3.48Å; V31-L35 PolarHBondContact O-N 2.97Å; V32-L35 PolarHBondContact O-N 2.88Å; L33-L35 VanDerWaalsContact C-N 3.34Å; L33-L35 PolarHBondContact O-N 3.34Å; L35-W37 PolarHBondContact O-N 3.2Å; L35-S38 WeakPolarHBondContact O-CB 3.31Å; L35-S38 PolarHBondContact O-N 3.5Å; L35-S38 VanDerWaalsContact O-N 3.16Å; L35-F39 WeakPolarHBondContact O-CD2 3.49Å; L35-F39 PolarHBondContact O-N 2.88Å |
| 36 | L | 92.3 | Very high | 86.2 | Confident | 99 Ų | 99 | 112.2 Ų | 112.2 | 52% | 0.518 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -59.7 | -46.8 | 176.3 | -73 | 170.6 | 0 | 0 | 0 | 111.5 | V32 L33 S38 F39 C40 | V32-L36 HydrophobicContact CG1-CD1 3.9Å; V32-L36 HydrophobicContact CG1-CG 4.35Å; V32-L36 WeakPolarHBondContact O-CB 3.39Å; V32-L36 WeakPolarHBondContact O-CG 3.42Å; V32-L36 PolarHBondContact O-N 2.97Å; L33-L36 PolarHBondContact O-N 2.9Å; L36-S38 VanDerWaalsContact C-N 3.32Å; L36-S38 PolarHBondContact O-N 3.16Å; L36-F39 PolarHBondContact O-N 3.42Å; L36-C40 WeakPolarHBondContact O-CB 3.35Å; L36-C40 PolarHBondContact O-N 2.87Å; L36-C40 PolarHBondContact O-SG 3.38Å |
| 37 | W | 90.4 | Very high | 85.2 | Confident | 189 Ų | 189 | 110.8 Ų | 110.8 | 72% | 0.716 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -54.6 | -48.6 | 172.3 | -176.6 | -62.9 | 0 | 0 | 0 | 111.1 | L33 L35 F39 C40 Q41 | L33-W37 WeakPolarHBondContact O-CB 3.33Å; L33-W37 PolarHBondContact O-N 3.38Å; L35-W37 PolarHBondContact O-N 3.2Å; W37-F39 VanDerWaalsContact C-N 3.33Å; W37-F39 PolarHBondContact O-N 3.4Å; W37-C40 PolarHBondContact O-N 3.14Å; W37-Q41 WeakPolarHBondContact O-CB 3.44Å; W37-Q41 PolarHBondContact O-N 2.97Å |
| 38 | S | 85.7 | Confident | 83.8 | Confident | 45 Ų | 45 | 109.7 Ų | 109.7 | 32% | 0.315 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.2 | -38.4 | 179.4 | -62.5 | 0 | 0 | 0 | 0 | 112.6 | V34 L35 L36 R42 | V34-S38 WeakPolarHBondContact O-CB 3.47Å; V34-S38 PolarHBondContact O-N 3.28Å; V34-S38 PolarHBondContact O-OG 2.83Å; L35-S38 WeakPolarHBondContact O-CB 3.31Å; L35-S38 PolarHBondContact O-N 3.5Å; L35-S38 VanDerWaalsContact O-N 3.16Å; L36-S38 VanDerWaalsContact C-N 3.32Å; L36-S38 PolarHBondContact O-N 3.16Å; S38-R42 VanDerWaalsContact O-CB 3.29Å; S38-R42 WeakPolarHBondContact O-CB 3.46Å; S38-R42 WeakPolarHBondContact O-CG 3.23Å; S38-R42 PolarHBondContact O-N 3.01Å |
| 39 | F | 88.6 | Confident | 81.7 | Confident | 132 Ų | 132 | 106.9 Ų | 106.9 | 58% | 0.579 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -69.6 | -43.4 | 174.6 | -89.3 | -75.9 | 0 | 0 | 0 | 112.2 | L35 L36 W37 R42 R43 | L35-F39 WeakPolarHBondContact O-CD2 3.49Å; L35-F39 PolarHBondContact O-N 2.88Å; L36-F39 PolarHBondContact O-N 3.42Å; W37-F39 VanDerWaalsContact C-N 3.33Å; W37-F39 PolarHBondContact O-N 3.4Å; F39-R42 CarbonylContact O-C 3.58Å; F39-R42 PolarHBondContact O-N 3Å; F39-R43 WeakPolarHBondContact O-CB 3.22Å; F39-R43 PolarHBondContact O-N 3.11Å |
| 40 | C | 84.7 | Confident | 79.1 | Confident | 86 Ų | 86 | 114.6 Ų | 114.6 | 58% | 0.581 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -60.8 | -45.9 | 174.8 | -73.7 | 0 | 0 | 0 | 0 | 111.6 | L36 W37 R43 Y44 | L36-C40 WeakPolarHBondContact O-CB 3.35Å; L36-C40 PolarHBondContact O-N 2.87Å; L36-C40 PolarHBondContact O-SG 3.38Å; W37-C40 PolarHBondContact O-N 3.14Å; C40-R43 PolarHBondContact O-N 2.87Å; C40-R43 VanDerWaalsContact O-N 3.11Å; C40-Y44 WeakPolarHBondContact O-CB 3.38Å; C40-Y44 PolarHBondContact O-N 3.25Å |
| 41 | Q | 80.2 | Confident | 76.5 | Confident | 104 Ų | 104 | 119.9 Ų | 119.9 | 49% | 0.486 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -64 | -41.6 | 176.9 | -168.4 | 172.3 | -0.7 | 0 | 0 | 111.9 | W37 R43 Y44 L45 | W37-Q41 WeakPolarHBondContact O-CB 3.44Å; W37-Q41 PolarHBondContact O-N 2.97Å; Q41-R43 VanDerWaalsContact C-N 3.29Å; Q41-R43 PolarHBondContact O-N 3.42Å; Q41-Y44 PolarHBondContact O-N 3.05Å; Q41-L45 HydrophobicContact CG-CD1 4.3Å; Q41-L45 WeakPolarHBondContact O-CB 3.22Å; Q41-L45 VanDerWaalsContact O-CG 3.31Å; Q41-L45 WeakPolarHBondContact O-CG 3.29Å; Q41-L45 PolarHBondContact O-N 2.76Å |
| 42 | R | 77.8 | Confident | 73.7 | Confident | 169 Ų | 169 | 125.9 Ų | 125.9 | 64% | 0.638 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -70.1 | -18 | 172.5 | -74.2 | 176.6 | 179.3 | -166.1 | 2.4 | 114.4 | S38 F39 R46 | S38-R42 VanDerWaalsContact O-CB 3.29Å; S38-R42 WeakPolarHBondContact O-CB 3.46Å; S38-R42 WeakPolarHBondContact O-CG 3.23Å; S38-R42 PolarHBondContact O-N 3.01Å; F39-R42 CarbonylContact O-C 3.58Å; F39-R42 PolarHBondContact O-N 3Å; R42-R46 PolarHBondContact O-NE 2.97Å |
| 43 | R | 77.8 | Confident | 70.9 | Confident | 183 Ų | 183 | 131 Ų | 131 | 69% | 0.691 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -84.4 | -47.5 | 172 | -171.1 | 176 | -178.5 | 175.8 | 0.1 | 110.1 | F39 C40 Q41 L45 R46 V47 | F39-R43 WeakPolarHBondContact O-CB 3.22Å; F39-R43 PolarHBondContact O-N 3.11Å; C40-R43 PolarHBondContact O-N 2.87Å; C40-R43 VanDerWaalsContact O-N 3.11Å; Q41-R43 VanDerWaalsContact C-N 3.29Å; Q41-R43 PolarHBondContact O-N 3.42Å; R43-L45 PolarHBondContact O-N 3.36Å; R43-R46 PolarHBondContact O-N 2.83Å; R43-V47 WeakPolarHBondContact O-CG2 3.33Å; R43-V47 PolarHBondContact O-N 3.49Å |
| 44 | Y | 73.3 | Confident | 68.1 | Low | 160 Ų | 160 | 135.5 Ų | 135.5 | 63% | 0.627 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -52.5 | -53.7 | 174 | 179.7 | -102.1 | 0 | 0 | 0 | 111.5 | C40 Q41 R46 V47 T48 | C40-Y44 WeakPolarHBondContact O-CB 3.38Å; C40-Y44 PolarHBondContact O-N 3.25Å; Q41-Y44 PolarHBondContact O-N 3.05Å; Y44-R46 PolarHBondContact O-N 3.08Å; Y44-V47 PolarHBondContact O-N 3.45Å; Y44-T48 HydrophobicContact CD2-CG2 4.24Å; Y44-T48 HydrophobicContact CE1-CG2 4.2Å; Y44-T48 HydrophobicContact CE2-CG2 3.85Å; Y44-T48 PolarHBondContact O-N 3.01Å; Y44-T48 PolarHBondContact O-OG1 2.66Å; Y44-T48 VanDerWaalsContact O-OG1 3.13Å |
| 45 | L | 66.3 | Low | 65.1 | Low | 104 Ų | 104 | 135.1 Ų | 135.1 | 55% | 0.545 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -62.1 | -23.3 | 177.9 | -70.2 | 169.2 | 0 | 0 | 0 | 114.2 | Q41 R43 G49 | Q41-L45 HydrophobicContact CG-CD1 4.3Å; Q41-L45 WeakPolarHBondContact O-CB 3.22Å; Q41-L45 VanDerWaalsContact O-CG 3.31Å; Q41-L45 WeakPolarHBondContact O-CG 3.29Å; Q41-L45 PolarHBondContact O-N 2.76Å; R43-L45 PolarHBondContact O-N 3.36Å; L45-G49 WeakPolarHBondContact O-CA 3.45Å; L45-G49 PolarHBondContact O-N 3.22Å |
| 46 | R | 67 | Low | 62.2 | Low | 184 Ų | 184 | 137.2 Ų | 137.2 | 69% | 0.694 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -83.1 | -28.1 | 173.3 | -86.8 | -172.3 | -72 | 168.3 | -3.4 | 113.2 | R42 R43 Y44 | R42-R46 PolarHBondContact O-NE 2.97Å; R43-R46 PolarHBondContact O-N 2.83Å; Y44-R46 PolarHBondContact O-N 3.08Å |
| 47 | V | 67.8 | Low | 59.3 | Low | 84 Ų | 84 | 142.4 Ų | 142.4 | 51% | 0.509 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -79.9 | -45 | 177 | 173.4 | 0 | 0 | 0 | 0 | 110.7 | R43 Y44 G49 Y51 | R43-V47 WeakPolarHBondContact O-CG2 3.33Å; R43-V47 PolarHBondContact O-N 3.49Å; Y44-V47 PolarHBondContact O-N 3.45Å; V47-G49 VanDerWaalsContact C-N 3.3Å; V47-G49 PolarHBondContact O-N 2.92Å; V47-Y51 PolarHBondContact O-OH 2.96Å |
| 48 | T | 62.4 | Low | 56.7 | Low | 72 Ų | 72 | 144 Ų | 144 | 44% | 0.442 | 68% | 0.677 | S | S | . | * | S | Bend | trans | -76.7 | -17.5 | 178.4 | 59.1 | 0 | 0 | 0 | 0 | 113.5 | Y44 R50 | Y44-T48 HydrophobicContact CD2-CG2 4.24Å; Y44-T48 HydrophobicContact CE1-CG2 4.2Å; Y44-T48 HydrophobicContact CE2-CG2 3.85Å; Y44-T48 PolarHBondContact O-N 3.01Å; Y44-T48 PolarHBondContact O-OG1 2.66Å; Y44-T48 VanDerWaalsContact O-OG1 3.13Å; T48-R50 PolarHBondContact O-N 3.32Å |
| 49 | G | 48.8 | Very low | 54.1 | Low | 55 Ų | 55 | 148 Ų | 148 | 57% | 0.567 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -93.2 | 21.9 | -165.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | L45 V47 | L45-G49 WeakPolarHBondContact O-CA 3.45Å; L45-G49 PolarHBondContact O-N 3.22Å; V47-G49 VanDerWaalsContact C-N 3.3Å; V47-G49 PolarHBondContact O-N 2.92Å |
| 50 | R | 40.1 | Very low | 51.8 | Low | 234 Ų | 234 | 149.5 Ų | 149.5 | 88% | 0.883 | 72% | 0.718 | S | S | * | * | trans | -158 | 62.1 | 175.9 | -123.8 | 176.6 | -161.5 | -156 | 3.4 | 117.5 | T48 | T48-R50 PolarHBondContact O-N 3.32Š| ||
| 51 | Y | 37.5 | Very low | 49.4 | Very low | 189 Ų | 189 | 149.5 Ų | 149.5 | 74% | 0.741 | 73% | 0.725 | S | S | * | * | trans | -126.3 | 95.4 | 161.8 | -41.4 | -76.2 | 0 | 0 | 0 | 111.2 | V47 | V47-Y51 PolarHBondContact O-OH 2.96Š| ||
| 52 | K | 34.9 | Very low | 47.4 | Very low | 202 Ų | 202 | 153.8 Ų | 153.8 | 88% | 0.878 | 75% | 0.745 | S | S | * | * | trans | -178 | 99.6 | 154.1 | -106.5 | 170 | -174.8 | -175.5 | 0 | 110 | ||||
| 53 | L | 35.4 | Very low | 45.3 | Very low | 176 Ų | 176 | 153.1 Ų | 153.1 | 92% | 0.921 | 75% | 0.754 | S | S | * | * | trans | -111.1 | 146.5 | 149.9 | -83.2 | 165.5 | 0 | 0 | 0 | 106.2 | ||||
| 54 | H | 35.3 | Very low | 43.2 | Very low | 198 Ų | 198 | 147.8 Ų | 147.8 | 92% | 0.917 | 74% | 0.743 | S | S | * | * | trans | -73.9 | 144.6 | 177 | -84.1 | -3.1 | 0 | 0 | 0 | 111.6 | ||||
| 55 | G | 29.1 | Very low | 41.5 | Very low | 80 Ų | 80 | 146.2 Ų | 146.2 | 83% | 0.825 | 75% | 0.752 | S | S | * | * | trans | -136.7 | 143.3 | 160 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 56 | D | 30.1 | Very low | 39.8 | Very low | 137 Ų | 137 | 150.1 Ų | 150.1 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | trans | -98.1 | 161.9 | -167.9 | -178.1 | 34.4 | 0 | 0 | 0 | 112.7 | ||||
| 57 | R | 32.9 | Very low | 38.2 | Very low | 207 Ų | 207 | 147.1 Ų | 147.1 | 78% | 0.781 | 75% | 0.753 | S | S | * | * | trans | 84.3 | 133.1 | 163.2 | -48.7 | -165.3 | 173.2 | -169.9 | -7.6 | 120.6 | ||||
| 58 | Y | 35.9 | Very low | 36.8 | Very low | 222 Ų | 222 | 150.8 Ų | 150.8 | 87% | 0.871 | 76% | 0.762 | S | S | * | * | trans | 50.7 | 105 | 148.2 | -99 | -95.7 | 0 | 0 | 0 | 118.6 | ||||
| 59 | C | 31.4 | Very low | 35.7 | Very low | 129 Ų | 129 | 152 Ų | 152 | 87% | 0.872 | 77% | 0.765 | S | S | * | * | -160.9 | 148 | 112.8 | -114.6 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 60 | D | 39.5 | Very low | 35.4 | Very low | 164 Ų | 164 | 152.7 Ų | 152.7 | 88% | 0.877 | 75% | 0.753 | S | S | * | * | trans | -89.9 | 134.5 | 174.9 | -163.1 | 4.2 | 0 | 0 | 0 | 109.5 | ||||
| 61 | A | 33.2 | Very low | 35.4 | Very low | 87 Ų | 87 | 146.7 Ų | 146.7 | 72% | 0.719 | 74% | 0.737 | S | S | * | * | trans | -165 | 132.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | D63 | A61-D63 PolarHBondContact O-N 3.17Š| ||
| 62 | E | 38.8 | Very low | 35.5 | Very low | 194 Ų | 194 | 143.9 Ų | 143.9 | 91% | 0.907 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 126.7 | -177 | -59.9 | -170.4 | 145.6 | 0 | 0 | 112.5 | P64 | E62-P64 WeakPolarHBondContact O-CD 3.42Š|
| 63 | D | 34.8 | Very low | 35.8 | Very low | 155 Ų | 155 | 143.7 Ų | 143.7 | 83% | 0.829 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 116.2 | 171.5 | -105.7 | -33.1 | 0 | 0 | 0 | 110.1 | A61 | A61-D63 PolarHBondContact O-N 3.17Š|
| 64 | P | 32.4 | Very low | 36 | Very low | 71 Ų | 71 | 139.2 Ų | 139.2 | 46% | 0.461 | 73% | 0.729 | S | S | . | * | P | Polyproline II helix | trans | -70.8 | 145.2 | 173 | 30.4 | -34.1 | 0 | 0 | 0 | 110.1 | E62 Y66 | E62-P64 WeakPolarHBondContact O-CD 3.42Å; P64-Y66 HydrophobicContact CG-CD2 4.21Å; P64-Y66 HydrophobicContact CG-CE2 3.73Å; P64-Y66 WeakPolarHBondContact O-CD2 3.45Å; P64-Y66 PolarHBondContact O-N 3.43Å |
| 65 | P | 37.1 | Very low | 36.1 | Very low | 127 Ų | 127 | 136.6 Ų | 136.6 | 83% | 0.825 | 72% | 0.72 | S | S | * | * | trans | -72.4 | 87.7 | -172 | 28.7 | -35.8 | 0 | 0 | 0 | 112.3 | K67 | P65-K67 VanDerWaalsContact C-N 3.28Å; P65-K67 PolarHBondContact O-N 3.21Å | ||
| 66 | Y | 32.4 | Very low | 36.6 | Very low | 185 Ų | 185 | 137 Ų | 137 | 73% | 0.725 | 71% | 0.711 | S | S | * | * | trans | -67.6 | 81.9 | 173.9 | -82.2 | -75.6 | 0 | 0 | 0 | 111.8 | P64 F68 | P64-Y66 HydrophobicContact CG-CD2 4.21Å; P64-Y66 HydrophobicContact CG-CE2 3.73Å; P64-Y66 WeakPolarHBondContact O-CD2 3.45Å; P64-Y66 PolarHBondContact O-N 3.43Å; Y66-F68 WeakPolarHBondContact O-CD2 3.3Å; Y66-F68 PolarHBondContact O-N 2.92Å; Y66-F68 VanDerWaalsContact O-N 3.1Å | ||
| 67 | K | 33 | Very low | 37.2 | Very low | 122 Ų | 122 | 134.9 Ų | 134.9 | 53% | 0.53 | 70% | 0.698 | S | S | . | * | trans | -68.4 | 103 | 172.8 | -163.5 | 165.3 | -167 | 161.4 | 0 | 109.7 | P65 I69 | P65-K67 VanDerWaalsContact C-N 3.28Å; P65-K67 PolarHBondContact O-N 3.21Å; K67-I69 PolarHBondContact O-N 3.17Å | ||
| 68 | F | 38.3 | Very low | 37.5 | Very low | 160 Ų | 160 | 131.5 Ų | 131.5 | 70% | 0.702 | 69% | 0.687 | S | S | * | * | trans | -69 | 87.8 | -178 | -81.1 | -90.4 | 0 | 0 | 0 | 112 | Y66 H70 | Y66-F68 WeakPolarHBondContact O-CD2 3.3Å; Y66-F68 PolarHBondContact O-N 2.92Å; Y66-F68 VanDerWaalsContact O-N 3.1Å; F68-H70 PolarHBondContact O-CD2 2.88Å; F68-H70 PolarHBondContact O-N 3.26Å | ||
| 69 | I | 38.3 | Very low | 37.4 | Very low | 98 Ų | 98 | 125.8 Ų | 125.8 | 50% | 0.503 | 68% | 0.677 | S | S | . | * | B | Isolated β-bridge | trans | -79.7 | 107.5 | 172.4 | -57.8 | 173.1 | 0 | 0 | 0 | 108.6 | K67 M71 | K67-I69 PolarHBondContact O-N 3.17Å; I69-M71 VanDerWaalsContact C-N 3.25Å; I69-M71 HydrophobicContact CG2-CB 4.26Å; I69-M71 HydrophobicContact CG2-CE 4.4Å; I69-M71 PolarHBondContact O-N 3.12Å |
| 70 | H | 43.1 | Very low | 38 | Very low | 70 Ų | 70 | 129.4 Ų | 129.4 | 32% | 0.324 | 68% | 0.681 | S | S | . | * | trans | -74.2 | 73.8 | 178.4 | -77.3 | -94.8 | 0 | 0 | 0 | 111.9 | F68 L72 I77 | F68-H70 PolarHBondContact O-CD2 2.88Å; F68-H70 PolarHBondContact O-N 3.26Å; H70-L72 PolarHBondContact O-N 3.21Å; H70-I77 WeakPolarHBondContact ND1-CD1 3.37Å | ||
| 71 | M | 40.7 | Very low | 38.1 | Very low | 108 Ų | 108 | 125.8 Ų | 125.8 | 53% | 0.532 | 67% | 0.669 | S | S | . | * | trans | -89.6 | 59.5 | -173.2 | -153.1 | -170.1 | -35.6 | 0 | 0 | 113.1 | I69 Y268 | I69-M71 VanDerWaalsContact C-N 3.25Å; I69-M71 HydrophobicContact CG2-CB 4.26Å; I69-M71 HydrophobicContact CG2-CE 4.4Å; I69-M71 PolarHBondContact O-N 3.12Å; M71-Y268 WeakPolarHBondContact CG-OH 3.37Å | ||
| 72 | L | 38.4 | Very low | 38.4 | Very low | 129 Ų | 129 | 129.9 Ų | 129.9 | 68% | 0.675 | 68% | 0.677 | S | S | * | * | trans | -127.1 | 148.1 | 178.6 | -78.9 | 176.7 | 0 | 0 | 0 | 115.1 | H70 G74 I77 | H70-L72 PolarHBondContact O-N 3.21Å; L72-G74 PolarHBondContact O-N 3.13Å; L72-I77 HydrophobicContact CD1-CG2 3.75Å | ||
| 73 | K | 42.6 | Very low | 38.3 | Very low | 198 Ų | 198 | 126.7 Ų | 126.7 | 86% | 0.861 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -86.1 | 74.7 | -161.4 | -162.2 | 176.1 | -173.8 | 178.3 | 0 | 112.1 | I75 | K73-I75 PolarHBondContact O-N 3.34Š|
| 74 | G | 39.4 | Very low | 38.6 | Very low | 82 Ų | 82 | 122.8 Ų | 122.8 | 85% | 0.845 | 67% | 0.673 | S | S | * | * | S | Bend | trans | 70.4 | 22.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | L72 | L72-G74 PolarHBondContact O-N 3.13Š|
| 75 | I | 37.7 | Very low | 38.7 | Very low | 143 Ų | 143 | 124.4 Ų | 124.4 | 73% | 0.733 | 69% | 0.686 | S | S | * | * | trans | -124.7 | 137.2 | 179.6 | -62 | 175.2 | 0 | 0 | 0 | 109.4 | K73 I77 | K73-I75 PolarHBondContact O-N 3.34Å; I75-I77 PolarHBondContact O-N 3.06Å | ||
| 76 | S | 39.3 | Very low | 38.9 | Very low | 89 Ų | 89 | 127.8 Ų | 127.8 | 62% | 0.622 | 69% | 0.688 | S | S | * | * | trans | -62.9 | 127.5 | 174.3 | 177.8 | 0 | 0 | 0 | 0 | 111 | Y78 | S76-Y78 VanDerWaalsContact C-N 3.31Å; S76-Y78 PolarHBondContact OG-N 3.17Å | ||
| 77 | I | 42.5 | Very low | 38.9 | Very low | 92 Ų | 92 | 129.5 Ų | 129.5 | 47% | 0.472 | 69% | 0.693 | S | S | . | * | S | Bend | trans | -84.6 | -1.4 | 176.5 | 58.5 | 170.3 | 0 | 0 | 0 | 113.8 | H70 L72 I75 P79 | H70-I77 WeakPolarHBondContact ND1-CD1 3.37Å; L72-I77 HydrophobicContact CD1-CG2 3.75Å; I75-I77 PolarHBondContact O-N 3.06Å; I77-P79 WeakPolarHBondContact O-CD 3.31Å |
| 78 | Y | 38.3 | Very low | 38.9 | Very low | 137 Ų | 137 | 130.9 Ų | 130.9 | 54% | 0.537 | 71% | 0.705 | S | S | . | * | S | Bend | trans | -89.9 | 115.9 | 171.9 | -67.9 | -76.5 | 0 | 0 | 0 | 110.2 | S76 E80 | S76-Y78 VanDerWaalsContact C-N 3.31Å; S76-Y78 PolarHBondContact OG-N 3.17Å; Y78-E80 PolarHBondContact O-N 3.13Å |
| 79 | P | 35 | Very low | 38.4 | Very low | 102 Ų | 102 | 129.5 Ų | 129.5 | 66% | 0.662 | 71% | 0.709 | S | S | * | * | trans | -76.2 | 120.1 | 178.3 | 29.8 | -33.6 | 0 | 0 | 0 | 111.3 | I77 S81 | I77-P79 WeakPolarHBondContact O-CD 3.31Å; P79-S81 PolarHBondContact O-N 2.84Å | ||
| 80 | E | 43.4 | Very low | 38 | Very low | 204 Ų | 204 | 135.5 Ų | 135.5 | 95% | 0.953 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -75.3 | 59.8 | 173.7 | -64.8 | -163.7 | 161.7 | 0 | 0 | 112.1 | Y78 | Y78-E80 PolarHBondContact O-N 3.13Š|
| 81 | S | 41.4 | Very low | 37.2 | Very low | 89 Ų | 89 | 135.4 Ų | 135.4 | 62% | 0.622 | 74% | 0.743 | S | S | * | * | trans | -139.5 | 22.6 | -173.2 | 65.6 | 0 | 0 | 0 | 0 | 116 | P79 | P79-S81 PolarHBondContact O-N 2.84Š| ||
| 82 | L | 39.3 | Very low | 36.7 | Very low | 172 Ų | 172 | 137.3 Ų | 137.3 | 90% | 0.901 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -128.8 | 33.7 | 174.3 | -72.3 | 179 | 0 | 0 | 0 | 115.2 | ||
| 83 | S | 38 | Very low | 36.3 | Very low | 127 Ų | 127 | 142.9 Ų | 142.9 | 89% | 0.888 | 77% | 0.766 | S | S | * | * | trans | -125.3 | 32.9 | 166.5 | -152.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 84 | G | 39.2 | Very low | 35.5 | Very low | 74 Ų | 74 | 144.8 Ų | 144.8 | 76% | 0.763 | 77% | 0.768 | S | S | * | * | trans | -99.3 | 26.3 | -178 | 0 | 0 | 0 | 0 | 0 | 115.4 | K86 | G84-K86 PolarHBondContact O-N 3.01Š| ||
| 85 | S | 35 | Very low | 35.1 | Very low | 105 Ų | 105 | 145.5 Ų | 145.5 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | trans | -77.3 | 93.6 | -171.3 | -162 | 0 | 0 | 0 | 0 | 113 | R87 | S85-R87 VanDerWaalsContact C-N 3.29Å; S85-R87 PolarHBondContact O-N 3.17Å | ||
| 86 | K | 41.2 | Very low | 34.7 | Very low | 198 Ų | 198 | 146.4 Ų | 146.4 | 86% | 0.861 | 77% | 0.772 | S | S | * | * | trans | -66.4 | 83 | 164.8 | -75.9 | -175.8 | 176.1 | -179.9 | 0 | 110.7 | G84 I88 | G84-K86 PolarHBondContact O-N 3.01Å; K86-I88 PolarHBondContact O-N 2.93Å; K86-I88 VanDerWaalsContact O-N 3.1Å | ||
| 87 | R | 32.5 | Very low | 34.2 | Very low | 221 Ų | 221 | 152.8 Ų | 152.8 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | trans | -73.5 | 96.9 | 166.4 | -90.1 | -168.6 | 169.6 | -169.3 | -2.3 | 110.6 | S85 V89 | S85-R87 VanDerWaalsContact C-N 3.29Å; S85-R87 PolarHBondContact O-N 3.17Å; R87-V89 PolarHBondContact O-N 3.31Å | ||
| 88 | I | 32.8 | Very low | 33.7 | Very low | 151 Ų | 151 | 153.9 Ų | 153.9 | 77% | 0.774 | 80% | 0.798 | S | S | * | * | trans | -67 | 110.3 | 163.6 | -62 | 171.9 | 0 | 0 | 0 | 107.8 | K86 R90 | K86-I88 PolarHBondContact O-N 2.93Å; K86-I88 VanDerWaalsContact O-N 3.1Å; I88-R90 PolarHBondContact O-N 3.02Å; I88-R90 VanDerWaalsContact O-N 3.09Å | ||
| 89 | V | 29.1 | Very low | 33.3 | Very low | 131 Ų | 131 | 155.6 Ų | 155.6 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | trans | -79.6 | 90.3 | 175 | -178.5 | 0 | 0 | 0 | 0 | 109.3 | R87 G91 | R87-V89 PolarHBondContact O-N 3.31Å; V89-G91 PolarHBondContact O-N 3.41Å | ||
| 90 | R | 29.6 | Very low | 33.1 | Very low | 224 Ų | 224 | 162.5 Ų | 162.5 | 85% | 0.845 | 82% | 0.824 | S | S | * | * | trans | -74 | 98.2 | 159.1 | -86.3 | -174.9 | 170.1 | 169.7 | -2.9 | 108.4 | I88 I92 | I88-R90 PolarHBondContact O-N 3.02Å; I88-R90 VanDerWaalsContact O-N 3.09Å; R90-I92 PolarHBondContact O-N 3.47Å | ||
| 91 | G | 26.6 | Very low | 32.5 | Very low | 68 Ų | 68 | 160.9 Ų | 160.9 | 70% | 0.701 | 82% | 0.822 | S | S | * | * | trans | -70.9 | 88.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V89 R93 | V89-G91 PolarHBondContact O-N 3.41Å; G91-R93 PolarHBondContact O-N 3.43Å | ||
| 92 | I | 30.4 | Very low | 32 | Very low | 148 Ų | 148 | 160 Ų | 160 | 76% | 0.759 | 83% | 0.827 | S | S | * | * | trans | -81.6 | 99.6 | 165 | -61.3 | 175.3 | 0 | 0 | 0 | 107.5 | R90 R94 | R90-I92 PolarHBondContact O-N 3.47Å; I92-R94 PolarHBondContact O-N 3.07Å | ||
| 93 | R | 28.5 | Very low | 31.6 | Very low | 245 Ų | 245 | 161.6 Ų | 161.6 | 93% | 0.925 | 83% | 0.83 | S | S | * | * | trans | -71.1 | 112.9 | 163.9 | -70.9 | -178.4 | 175.6 | 174.9 | -2.6 | 107.8 | G91 | G91-R93 PolarHBondContact O-N 3.43Š| ||
| 94 | R | 27.3 | Very low | 31.3 | Very low | 239 Ų | 239 | 167.5 Ų | 167.5 | 90% | 0.902 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -73 | 131.3 | 157.1 | -79.8 | -175.6 | 168.1 | 132 | -2.8 | 107.3 | I92 | I92-R94 PolarHBondContact O-N 3.07Š|
| 95 | A | 30 | Very low | 30.8 | Very low | 96 Ų | 96 | 168 Ų | 168 | 79% | 0.793 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 142.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||
| 96 | D | 30 | Very low | 30.5 | Very low | 162 Ų | 162 | 166.9 Ų | 166.9 | 87% | 0.866 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 157.9 | 162.7 | -158.6 | -6.1 | 0 | 0 | 0 | 109.3 | ||
| 97 | R | 29.1 | Very low | 29.9 | Very low | 224 Ų | 224 | 163 Ų | 163 | 85% | 0.845 | 84% | 0.841 | S | S | * | * | trans | -131.5 | 84.7 | -168.3 | -167.8 | -175.3 | -173.7 | -169.4 | 0.7 | 111.6 | ||||
| 98 | S | 30.5 | Very low | 29.7 | Very low | 115 Ų | 115 | 157.4 Ų | 157.4 | 80% | 0.804 | 84% | 0.841 | S | S | * | * | trans | -109.5 | 141.4 | 164.4 | 53.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 99 | E | 31.2 | Very low | 29.5 | Very low | 173 Ų | 173 | 154.1 Ų | 154.1 | 81% | 0.808 | 85% | 0.845 | S | S | * | * | trans | -94.2 | 143 | -177.5 | -63.3 | 167.7 | 136 | 0 | 0 | 111.2 | ||||
| 100 | R | 30.4 | Very low | 29.5 | Very low | 247 Ų | 247 | 151.7 Ų | 151.7 | 93% | 0.932 | 85% | 0.846 | S | S | * | * | trans | -171.6 | 153.6 | 142 | -103.2 | 159.9 | -155.3 | -146 | 2.7 | 111.3 | ||||
| 101 | D | 31.6 | Very low | 29.4 | Very low | 169 Ų | 169 | 145.8 Ų | 145.8 | 90% | 0.904 | 85% | 0.846 | S | S | * | * | trans | -77.6 | 161.1 | -170.1 | -48.9 | -91.6 | 0 | 0 | 0 | 114 | ||||
| 102 | G | 30.1 | Very low | 29.6 | Very low | 71 Ų | 71 | 147.7 Ų | 147.7 | 73% | 0.732 | 86% | 0.855 | S | S | * | * | trans | 174.4 | 54.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 103 | E | 31 | Very low | 29.5 | Very low | 205 Ų | 205 | 144.2 Ų | 144.2 | 96% | 0.958 | 86% | 0.855 | S | S | * | * | trans | 59.5 | -170.2 | 153.3 | -56.8 | -159.7 | 97.5 | 0 | 0 | 120.5 | ||||
| 104 | R | 30.7 | Very low | 29.6 | Very low | 252 Ų | 252 | 144.7 Ų | 144.7 | 95% | 0.951 | 86% | 0.857 | S | S | * | * | trans | -125.6 | 148.2 | -158.7 | -77.1 | 173 | 159.3 | 174.5 | -6 | 114.1 | ||||
| 105 | G | 29.3 | Very low | 29.6 | Very low | 84 Ų | 84 | 137.1 Ų | 137.1 | 87% | 0.866 | 85% | 0.854 | S | S | * | * | trans | 118.1 | 165.7 | 140.8 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 106 | G | 29.3 | Very low | 29.5 | Very low | 82 Ų | 82 | 140.7 Ų | 140.7 | 85% | 0.845 | 86% | 0.856 | S | S | * | * | trans | 120.8 | 82.4 | 161.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 107 | S | 28.1 | Very low | 29.3 | Very low | 117 Ų | 117 | 139.2 Ų | 139.2 | 82% | 0.818 | 85% | 0.852 | S | S | * | * | trans | -37.1 | 145.8 | 166.3 | -157.8 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 108 | A | 29.1 | Very low | 29.2 | Very low | 102 Ų | 102 | 136.3 Ų | 136.3 | 84% | 0.843 | 85% | 0.853 | S | S | * | * | trans | 58.8 | 140.3 | 137.5 | 0 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 109 | G | 28.4 | Very low | 29 | Very low | 83 Ų | 83 | 137.3 Ų | 137.3 | 86% | 0.856 | 85% | 0.854 | S | S | * | * | trans | 128.8 | 151.1 | 143.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 110 | G | 27.3 | Very low | 28.8 | Very low | 79 Ų | 79 | 136.5 Ų | 136.5 | 81% | 0.814 | 86% | 0.855 | S | S | * | * | trans | 111.4 | 68.3 | 150.7 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 111 | A | 28.3 | Very low | 29 | Very low | 101 Ų | 101 | 128.6 Ų | 128.6 | 84% | 0.835 | 84% | 0.842 | S | S | * | * | trans | -1.1 | 165.1 | 149 | 0 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 112 | A | 31.1 | Very low | 28.9 | Very low | 108 Ų | 108 | 128.9 Ų | 128.9 | 89% | 0.893 | 84% | 0.838 | S | S | * | * | trans | 73.6 | 145.7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 113 | G | 28.8 | Very low | 28.9 | Very low | 75 Ų | 75 | 132.5 Ų | 132.5 | 77% | 0.773 | 84% | 0.841 | S | S | * | * | cis | 155.9 | 85 | -4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 114 | R | 29.3 | Very low | 28.8 | Very low | 255 Ų | 255 | 130 Ų | 130 | 96% | 0.962 | 83% | 0.834 | S | S | * | * | trans | -93.8 | 101.2 | 179 | -83.8 | -174.5 | 169.5 | -178.9 | -2.7 | 112 | ||||
| 115 | G | 27.3 | Very low | 28.7 | Very low | 80 Ų | 80 | 125.2 Ų | 125.2 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | trans | -76.6 | 144.5 | 161.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 116 | M | 27.8 | Very low | 28.7 | Very low | 171 Ų | 171 | 128 Ų | 128 | 84% | 0.842 | 82% | 0.82 | S | S | * | * | trans | -134.1 | 125.9 | 176.8 | 174.1 | -176.7 | 69.8 | 0 | 0 | 108 | ||||
| 117 | V | 27.1 | Very low | 28.6 | Very low | 131 Ų | 131 | 130.2 Ų | 130.2 | 79% | 0.794 | 81% | 0.813 | S | S | * | * | trans | -138 | 127.5 | 174 | -178.4 | 0 | 0 | 0 | 0 | 109.4 | V119 | V117-V119 HydrophobicContact CG1-CG2 4.03Š| ||
| 118 | L | 25.6 | Very low | 28.6 | Very low | 162 Ų | 162 | 130.6 Ų | 130.6 | 85% | 0.848 | 81% | 0.81 | S | S | * | * | trans | -98.6 | 144.7 | 161.5 | -76 | 153.9 | 0 | 0 | 0 | 107.6 | ||||
| 119 | V | 28 | Very low | 29.4 | Very low | 137 Ų | 137 | 131.8 Ų | 131.8 | 83% | 0.83 | 81% | 0.809 | S | S | * | * | trans | -137.1 | 138.8 | 158.1 | -173 | 0 | 0 | 0 | 0 | 107.5 | V117 | V117-V119 HydrophobicContact CG1-CG2 4.03Š| ||
| 120 | D | 26.8 | Very low | 29.4 | Very low | 156 Ų | 156 | 131.6 Ų | 131.6 | 83% | 0.834 | 81% | 0.806 | S | S | * | * | trans | -93.3 | 177.8 | -177.8 | -147.4 | -21.8 | 0 | 0 | 0 | 111.5 | ||||
| 121 | A | 33.3 | Very low | 29.5 | Very low | 80 Ų | 80 | 137 Ų | 137 | 66% | 0.661 | 81% | 0.811 | S | S | * | * | trans | -90.3 | 157.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 122 | E | 30.1 | Very low | 29.5 | Very low | 176 Ų | 176 | 140 Ų | 140 | 82% | 0.822 | 81% | 0.812 | S | S | * | * | -179.7 | 169.5 | 127.2 | -104.8 | -174.8 | 172.6 | 0 | 0 | 114.9 | |||||
| 123 | N | 30.7 | Very low | 29.4 | Very low | 147 Ų | 147 | 143.2 Ų | 143.2 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | trans | 91.5 | 142.4 | 160.7 | -64.8 | -54.7 | 0 | 0 | 0 | 121.7 | ||||
| 124 | N | 27.7 | Very low | 29.3 | Very low | 152 Ų | 152 | 148.5 Ų | 148.5 | 81% | 0.813 | 82% | 0.815 | S | S | * | * | trans | -103.9 | 170.2 | 178.2 | -66.3 | -72.3 | 0 | 0 | 0 | 110.7 | ||||
| 125 | I | 29.5 | Very low | 29.3 | Very low | 152 Ų | 152 | 142.3 Ų | 142.3 | 78% | 0.779 | 81% | 0.811 | S | S | * | * | 169.7 | 129.7 | 115.8 | -87.5 | 166.5 | 0 | 0 | 0 | 113 | |||||
| 126 | L | 29.2 | Very low | 29.4 | Very low | 143 Ų | 143 | 146.1 Ų | 146.1 | 75% | 0.749 | 81% | 0.807 | S | S | * | * | trans | 37.6 | 142.8 | 151.3 | -60.6 | 171.6 | 0 | 0 | 0 | 125.6 | ||||
| 127 | D | 26.8 | Very low | 29.4 | Very low | 128 Ų | 128 | 146.5 Ų | 146.5 | 68% | 0.684 | 81% | 0.811 | S | S | * | * | trans | 54 | 125.5 | 142.1 | -64.4 | -19 | 0 | 0 | 0 | 122.2 | ||||
| 128 | V | 29.3 | Very low | 29.9 | Very low | 125 Ų | 125 | 145.2 Ų | 145.2 | 76% | 0.758 | 80% | 0.803 | S | S | * | * | cis | 92.9 | 136.2 | 48.4 | 159.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 129 | P | 44.6 | Very low | 30.5 | Very low | 127 Ų | 127 | 142.6 Ų | 142.6 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | cis | -126.7 | -173.4 | -30.5 | 37.7 | -19.6 | 0 | 0 | 0 | 112.7 | ||||
| 130 | G | 28.8 | Very low | 30.9 | Very low | 78 Ų | 78 | 142.4 Ų | 142.4 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -175.9 | 126.8 | 166.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 131 | Q | 28.4 | Very low | 31.1 | Very low | 194 Ų | 194 | 140.9 Ų | 140.9 | 91% | 0.907 | 80% | 0.8 | S | S | * | * | trans | -84.5 | 151.9 | 164.1 | -70.3 | 175.2 | -81 | 0 | 0 | 110.5 | ||||
| 132 | L | 29.9 | Very low | 30.9 | Very low | 164 Ų | 164 | 140.3 Ų | 140.3 | 86% | 0.859 | 80% | 0.802 | S | S | * | * | trans | -158.3 | 169.9 | 134.1 | -111.1 | 170.7 | 0 | 0 | 0 | 111.3 | ||||
| 133 | Q | 28.4 | Very low | 31 | Very low | 174 Ų | 174 | 138.1 Ų | 138.1 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | trans | -93.1 | 165.6 | -152.7 | -69.7 | 164.1 | -64.6 | 0 | 0 | 116.4 | ||||
| 134 | M | 26.6 | Very low | 31 | Very low | 186 Ų | 186 | 134.7 Ų | 134.7 | 92% | 0.916 | 81% | 0.805 | S | S | * | * | trans | -27.5 | 147.4 | 161.4 | -62.9 | 164.1 | 162.6 | 0 | 0 | 116.8 | ||||
| 135 | S | 29.7 | Very low | 31.7 | Very low | 126 Ų | 126 | 133.6 Ų | 133.6 | 88% | 0.881 | 81% | 0.806 | S | S | * | * | trans | -129 | 133.8 | 143.2 | 62.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 136 | H | 28 | Very low | 31.7 | Very low | 160 Ų | 160 | 131.1 Ų | 131.1 | 74% | 0.741 | 81% | 0.808 | S | S | * | * | trans | -98.1 | 137.6 | -168.5 | -167.3 | -109.1 | 0 | 0 | 0 | 110 | V138 | H136-V138 WeakPolarHBondContact CE1-CG2 3.43Š| ||
| 137 | L | 29.7 | Very low | 31.8 | Very low | 178 Ų | 178 | 133.1 Ų | 133.1 | 93% | 0.932 | 81% | 0.813 | S | S | * | * | trans | -139.4 | 138.4 | 160.2 | -78.2 | -177.5 | 0 | 0 | 0 | 110.6 | ||||
| 138 | V | 35.7 | Very low | 31.9 | Very low | 104 Ų | 104 | 133 Ų | 133 | 63% | 0.63 | 82% | 0.822 | S | S | * | * | trans | -121.9 | 145.1 | -172.4 | 161 | 0 | 0 | 0 | 0 | 108.5 | H136 | H136-V138 WeakPolarHBondContact CE1-CG2 3.43Š| ||
| 139 | P | 38.4 | Very low | 32 | Very low | 108 Ų | 108 | 136.1 Ų | 136.1 | 70% | 0.701 | 83% | 0.829 | S | S | * | * | trans | -83.2 | 160.5 | -168.6 | 33.5 | -38.1 | 0 | 0 | 0 | 114.1 | ||||
| 140 | P | 37.9 | Very low | 31.2 | Very low | 133 Ų | 133 | 135 Ų | 135 | 86% | 0.864 | 83% | 0.83 | S | S | * | * | trans | -76 | 146.8 | 164.6 | 33 | -33.8 | 0 | 0 | 0 | 111.5 | ||||
| 141 | S | 30 | Very low | 31.3 | Very low | 124 Ų | 124 | 142.6 Ų | 142.6 | 87% | 0.867 | 83% | 0.834 | S | S | * | * | trans | -121 | 138.4 | -176.5 | 57.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 142 | G | 30.3 | Very low | 31.5 | Very low | 68 Ų | 68 | 141.7 Ų | 141.7 | 70% | 0.701 | 84% | 0.835 | S | S | * | * | trans | 168.7 | 109.7 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 143 | S | 31.4 | Very low | 31.6 | Very low | 130 Ų | 130 | 142.8 Ų | 142.8 | 91% | 0.909 | 84% | 0.835 | S | S | * | * | 91.3 | 94.6 | 57.7 | 69.2 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 144 | G | 30.6 | Very low | 31.8 | Very low | 75 Ų | 75 | 145.9 Ų | 145.9 | 77% | 0.773 | 84% | 0.84 | S | S | * | * | trans | 157.9 | 120 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 145 | P | 42.1 | Very low | 32 | Very low | 129 Ų | 129 | 141.2 Ų | 141.2 | 84% | 0.838 | 83% | 0.83 | S | S | * | * | trans | -108.1 | 145.8 | -173.9 | 37.7 | -31.6 | 0 | 0 | 0 | 114.5 | ||||
| 146 | A | 29.3 | Very low | 32 | Very low | 99 Ų | 99 | 143.4 Ų | 143.4 | 82% | 0.818 | 83% | 0.832 | S | S | * | * | trans | 174.9 | 158.4 | 138.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 147 | H | 31.6 | Very low | 32.3 | Very low | 186 Ų | 186 | 141.2 Ų | 141.2 | 86% | 0.861 | 83% | 0.831 | S | S | * | * | trans | -32.3 | 135.7 | 177.4 | -66.5 | -95.2 | 0 | 0 | 0 | 119.1 | ||||
| 148 | S | 29.9 | Very low | 32.3 | Very low | 125 Ų | 125 | 139.6 Ų | 139.6 | 87% | 0.874 | 83% | 0.828 | S | S | * | * | -175.5 | 164.8 | 114.6 | 37.7 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 149 | Q | 29.8 | Very low | 31.8 | Very low | 191 Ų | 191 | 145.3 Ų | 145.3 | 89% | 0.893 | 84% | 0.839 | S | S | * | * | trans | -85.2 | 162.9 | -177.3 | -73.5 | 165.7 | -91.3 | 0 | 0 | 113.4 | ||||
| 150 | A | 29.6 | Very low | 31.5 | Very low | 102 Ų | 102 | 143.7 Ų | 143.7 | 84% | 0.843 | 84% | 0.835 | S | S | * | * | trans | 65.5 | 98.4 | 154.5 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 151 | R | 29.7 | Very low | 31.1 | Very low | 238 Ų | 238 | 143.1 Ų | 143.1 | 90% | 0.898 | 82% | 0.824 | S | S | * | * | trans | -153.2 | 96.2 | 135.9 | -154.1 | 173 | -165.4 | 167.1 | 7.1 | 113.2 | ||||
| 152 | L | 32.9 | Very low | 31 | Very low | 176 Ų | 176 | 146.9 Ų | 146.9 | 92% | 0.921 | 82% | 0.821 | S | S | * | * | trans | -144.6 | 67.3 | 170.4 | -129.8 | 173 | 0 | 0 | 0 | 111.2 | ||||
| 153 | E | 31.7 | Very low | 31.1 | Very low | 186 Ų | 186 | 148.8 Ų | 148.8 | 87% | 0.869 | 82% | 0.822 | S | S | * | * | trans | -128.7 | 116.6 | 169.5 | -81.7 | -152.6 | 137.2 | 0 | 0 | 111.6 | ||||
| 154 | R | 32.6 | Very low | 31.1 | Very low | 240 Ų | 240 | 148.4 Ų | 148.4 | 91% | 0.906 | 82% | 0.818 | S | S | * | * | trans | 176.1 | 135.2 | 147.6 | -100 | -175.9 | 177.6 | 107.6 | -4.5 | 107.8 | ||||
| 155 | A | 31.2 | Very low | 31 | Very low | 87 Ų | 87 | 153.5 Ų | 153.5 | 72% | 0.719 | 83% | 0.827 | S | S | * | * | cis | -160.4 | 139.1 | -19.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 156 | L | 29.6 | Very low | 30.3 | Very low | 173 Ų | 173 | 154.3 Ų | 154.3 | 91% | 0.906 | 82% | 0.824 | S | S | * | * | trans | -137.1 | 152.4 | 148.7 | -78.8 | -177.4 | 0 | 0 | 0 | 108.4 | ||||
| 157 | P | 33.4 | Very low | 30.2 | Very low | 113 Ų | 113 | 155.3 Ų | 155.3 | 73% | 0.734 | 83% | 0.825 | S | S | * | * | trans | -102.2 | 173.2 | -154 | 39.4 | -37.5 | 0 | 0 | 0 | 115.4 | ||||
| 158 | V | 29.7 | Very low | 30.2 | Very low | 144 Ų | 144 | 151.7 Ų | 151.7 | 87% | 0.873 | 82% | 0.821 | S | S | * | * | trans | 82.4 | 98.8 | 167.8 | -167.9 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 159 | R | 27 | Very low | 30.4 | Very low | 224 Ų | 224 | 151.1 Ų | 151.1 | 85% | 0.845 | 82% | 0.817 | S | S | * | * | trans | -67.5 | 162.5 | 165.8 | -151.2 | -173.9 | -168.9 | 102.4 | -2.4 | 111.6 | ||||
| 160 | A | 31.5 | Very low | 30.3 | Very low | 75 Ų | 75 | 147 Ų | 147 | 62% | 0.62 | 82% | 0.815 | S | S | * | * | trans | 83.9 | 141.9 | 140.3 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 161 | D | 28.8 | Very low | 30.3 | Very low | 120 Ų | 120 | 146 Ų | 146 | 64% | 0.642 | 81% | 0.807 | S | S | * | * | cis | -158.6 | -167.2 | -20.6 | -95.8 | -36 | 0 | 0 | 0 | 105.1 | ||||
| 162 | Y | 28.3 | Very low | 30.3 | Very low | 204 Ų | 204 | 140.1 Ų | 140.1 | 80% | 0.8 | 80% | 0.803 | S | S | * | * | cis | -158.5 | 168.8 | 20.3 | -110.7 | -63.7 | 0 | 0 | 0 | 110.2 | ||||
| 163 | C | 31.6 | Very low | 30.2 | Very low | 107 Ų | 107 | 136.1 Ų | 136.1 | 72% | 0.723 | 79% | 0.789 | S | S | * | * | trans | 44.4 | 109.3 | 151.8 | -62.5 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 164 | C | 31.5 | Very low | 30.2 | Very low | 123 Ų | 123 | 136.1 Ų | 136.1 | 83% | 0.831 | 79% | 0.789 | S | S | * | * | trans | -62.3 | 153.7 | 136.4 | -49.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 165 | L | 29.1 | Very low | 30 | Very low | 181 Ų | 181 | 130.6 Ų | 130.6 | 95% | 0.948 | 78% | 0.782 | S | S | * | * | trans | -131.9 | 121.2 | 147.9 | -84.7 | 177.2 | 0 | 0 | 0 | 108.4 | ||||
| 166 | D | 27 | Very low | 30 | Very low | 146 Ų | 146 | 131.3 Ų | 131.3 | 78% | 0.781 | 78% | 0.782 | S | S | * | * | trans | -119.9 | 127.7 | 172.4 | 178 | 21.4 | 0 | 0 | 0 | 108 | ||||
| 167 | S | 28.4 | Very low | 30 | Very low | 120 Ų | 120 | 127.6 Ų | 127.6 | 84% | 0.839 | 77% | 0.771 | S | S | * | * | trans | -175.1 | 117.9 | 161 | -83.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 168 | S | 31.2 | Very low | 30 | Very low | 110 Ų | 110 | 131.3 Ų | 131.3 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | -77.6 | 163.7 | 172.6 | 59.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 169 | S | 32.9 | Very low | 30.1 | Very low | 113 Ų | 113 | 131.3 Ų | 131.3 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | 179.6 | 129.5 | 118.1 | 41.3 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 170 | A | 29.1 | Very low | 30.4 | Very low | 105 Ų | 105 | 125.2 Ų | 125.2 | 87% | 0.868 | 77% | 0.773 | S | S | * | * | trans | 61.2 | 162.2 | 144.9 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 171 | A | 29.3 | Very low | 30.5 | Very low | 80 Ų | 80 | 127.3 Ų | 127.3 | 66% | 0.661 | 78% | 0.783 | S | S | * | * | cis | -151.4 | 160.4 | 4.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 172 | S | 29.3 | Very low | 31.2 | Very low | 116 Ų | 116 | 127 Ų | 127 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | trans | 65.9 | 152.5 | 157.5 | 21.8 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 173 | S | 30.8 | Very low | 31.5 | Very low | 91 Ų | 91 | 126.5 Ų | 126.5 | 64% | 0.636 | 79% | 0.79 | S | S | * | * | cis | -160.4 | 135.5 | 2 | 41.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 174 | Q | 31.1 | Very low | 31.5 | Very low | 187 Ų | 187 | 127.4 Ų | 127.4 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | trans | 62.5 | 153.5 | 146.3 | -55 | 172.1 | 25 | 0 | 0 | 117.5 | ||||
| 175 | T | 29.8 | Very low | 31.7 | Very low | 124 Ų | 124 | 127 Ų | 127 | 76% | 0.761 | 79% | 0.788 | S | S | * | * | cis | -137.2 | -178.9 | 14.4 | 48.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 176 | S | 31.1 | Very low | 31.8 | Very low | 102 Ų | 102 | 123.1 Ų | 123.1 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | trans | -57 | 167.5 | 168.1 | 49.8 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 177 | S | 30.1 | Very low | 32.2 | Very low | 95 Ų | 95 | 120.7 Ų | 120.7 | 66% | 0.664 | 78% | 0.777 | S | S | * | * | cis | 178.2 | 162.1 | -21.2 | 64.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 178 | K | 33.2 | Very low | 32.8 | Very low | 191 Ų | 191 | 120.5 Ų | 120.5 | 83% | 0.83 | 78% | 0.775 | S | S | * | * | trans | 81.2 | 141.5 | 154.1 | -69.4 | 179.9 | -180 | 178.5 | 0 | 121.5 | ||||
| 179 | T | 30.2 | Very low | 33.1 | Very low | 143 Ų | 143 | 122.5 Ų | 122.5 | 88% | 0.877 | 77% | 0.773 | S | S | * | * | trans | 79.2 | 135.6 | 157.2 | -49.8 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 180 | A | 35 | Very low | 33.5 | Very low | 97 Ų | 97 | 122.5 Ų | 122.5 | 80% | 0.802 | 77% | 0.77 | S | S | * | * | trans | -119.4 | 153.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 181 | S | 33.7 | Very low | 34.2 | Very low | 119 Ų | 119 | 125.6 Ų | 125.6 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | trans | -144.9 | 157.2 | 162.1 | 56.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 182 | P | 43.6 | Very low | 35 | Very low | 112 Ų | 112 | 127.2 Ų | 127.2 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | -105.7 | 167.1 | -161.9 | 40.5 | -36 | 0 | 0 | 0 | 114.8 | ||||
| 183 | F | 32.9 | Very low | 36.3 | Very low | 194 Ų | 194 | 128.7 Ų | 128.7 | 85% | 0.851 | 76% | 0.764 | S | S | * | * | trans | 58.8 | 112.5 | 168.2 | -81.1 | -84.1 | 0 | 0 | 0 | 118.4 | ||||
| 184 | T | 32.8 | Very low | 37.8 | Very low | 127 Ų | 127 | 128.3 Ų | 128.3 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | -163.4 | 136 | 111.8 | -72.3 | 0 | 0 | 0 | 0 | 107.7 | A186 | T184-A186 PolarHBondContact O-N 3.13Š| |||
| 185 | P | 35.4 | Very low | 40.3 | Very low | 114 Ų | 114 | 125.4 Ų | 125.4 | 74% | 0.74 | 75% | 0.75 | S | S | * | * | trans | -71.1 | 118.8 | 170.3 | -6.7 | 23.1 | 0 | 0 | 0 | 108.6 | S187 | P185-S187 PolarHBondContact O-N 3.07Š| ||
| 186 | A | 31.6 | Very low | 43.2 | Very low | 99 Ų | 99 | 120.5 Ų | 120.5 | 82% | 0.818 | 72% | 0.719 | S | S | * | * | trans | -62.6 | 119 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | T184 S188 | T184-A186 PolarHBondContact O-N 3.13Å; A186-S188 PolarHBondContact O-N 3.21Å | ||
| 187 | S | 35.3 | Very low | 46.2 | Very low | 96 Ų | 96 | 115.8 Ų | 115.8 | 67% | 0.671 | 69% | 0.687 | S | S | * | * | trans | -63 | 115 | 169.7 | 45 | 0 | 0 | 0 | 0 | 108.5 | P185 E189 | P185-S187 PolarHBondContact O-N 3.07Å; S187-E189 VanDerWaalsContact C-N 3.34Å; S187-E189 PolarHBondContact O-N 2.97Å | ||
| 188 | S | 39.9 | Very low | 49.4 | Very low | 115 Ų | 115 | 112.3 Ų | 112.3 | 80% | 0.804 | 66% | 0.662 | S | S | * | * | trans | -66.1 | 98.4 | 165.5 | 55.2 | 0 | 0 | 0 | 0 | 107.9 | A186 | A186-S188 PolarHBondContact O-N 3.21Š| ||
| 189 | E | 38.3 | Very low | 52.4 | Low | 153 Ų | 153 | 103.2 Ų | 103.2 | 72% | 0.715 | 62% | 0.623 | S | S | * | * | trans | -46.4 | 134.1 | 160.7 | -72.3 | -64.8 | 128.9 | 0 | 0 | 108.3 | S187 E191 | S187-E189 VanDerWaalsContact C-N 3.34Å; S187-E189 PolarHBondContact O-N 2.97Å; E189-E191 PolarHBondContact O-N 2.57Å | ||
| 190 | P | 41.2 | Very low | 55.6 | Low | 113 Ų | 113 | 98 Ų | 98 | 73% | 0.734 | 59% | 0.593 | S | S | * | * | trans | -65.2 | 122.3 | 176.2 | 27 | -32.1 | 0 | 0 | 0 | 109 | ||||
| 191 | E | 44.8 | Very low | 58.6 | Low | 169 Ų | 169 | 93.5 Ų | 93.5 | 79% | 0.79 | 56% | 0.555 | S | S | * | * | trans | -44.4 | 132.8 | 166.6 | -74.2 | -70.9 | 158.8 | 0 | 0 | 109.5 | E189 E193 | E189-E191 PolarHBondContact O-N 2.57Å; E191-E193 PolarHBondContact O-N 2.88Å | ||
| 192 | P | 46.1 | Very low | 61.6 | Low | 115 Ų | 115 | 87.8 Ų | 87.8 | 75% | 0.747 | 52% | 0.515 | S | S | * | . | trans | -62.1 | 111.3 | -173 | 24.2 | -33.2 | 0 | 0 | 0 | 110.3 | ||||
| 193 | E | 54.9 | Low | 64.1 | Low | 147 Ų | 147 | 82.5 Ų | 82.5 | 69% | 0.687 | 48% | 0.481 | S | S | * | . | trans | -49 | 129.4 | 178.8 | -82.4 | -78.1 | 169.3 | 0 | 0 | 110.1 | E191 N195 | E191-E193 PolarHBondContact O-N 2.88Å; E193-N195 PolarHBondContact O-N 3.39Å; E193-N195 VanDerWaalsContact O-N 3.13Å | ||
| 194 | P | 64.1 | Low | 67.1 | Low | 82 Ų | 82 | 75.6 Ų | 75.6 | 53% | 0.532 | 45% | 0.452 | S | S | . | . | trans | -61.5 | 121.1 | -171.8 | 24 | -34.2 | 0 | 0 | 0 | 110.2 | L196 | P194-L196 WeakPolarHBondContact O-CG 3.43Å; P194-L196 PolarHBondContact O-N 3.49Å; P194-L196 VanDerWaalsContact O-N 3.13Å | ||
| 195 | N | 83.3 | Confident | 70.1 | Confident | 127 Ų | 127 | 70.1 Ų | 70.1 | 68% | 0.679 | 42% | 0.418 | S | S | * | . | trans | -65 | 113 | 178.1 | -177.2 | 0.6 | 0 | 0 | 0 | 109.9 | E193 G197 | E193-N195 PolarHBondContact O-N 3.39Å; E193-N195 VanDerWaalsContact O-N 3.13Å; N195-G197 VanDerWaalsContact C-N 3.29Å; N195-G197 PolarHBondContact OD1-N 2.8Å | ||
| 196 | L | 90.6 | Very high | 72.9 | Confident | 20 Ų | 20 | 67.3 Ų | 67.3 | 11% | 0.105 | 40% | 0.396 | C | S | . | . | trans | -89.8 | 6.1 | -178.5 | -56.4 | 172.2 | 0 | 0 | 0 | 113.1 | P194 P223 I296 I319 K321 | P194-L196 WeakPolarHBondContact O-CG 3.43Å; P194-L196 PolarHBondContact O-N 3.49Å; P194-L196 VanDerWaalsContact O-N 3.13Å; L196-P223 HydrophobicContact CD2-CG 4.03Å; L196-I296 WeakPolarHBondContact CD1-O 3.48Å; L196-I319 HydrophobicContact CB-CB 4.16Å; L196-I319 HydrophobicContact CB-CG2 3.9Å; L196-I319 HydrophobicContact CD1-CG2 4.48Å; L196-K321 VanDerWaalsContact CD1-CA 3.47Å; L196-K321 HydrophobicContact CD1-CB 3.9Å; L196-K321 VanDerWaalsContact CD1-N 3.34Å | ||
| 197 | G | 93.8 | Very high | 75.9 | Confident | 3 Ų | 3 | 67.2 Ų | 67.2 | 3% | 0.031 | 38% | 0.378 | C | S | . | . | trans | 86.1 | -169.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | N195 R220 G221 Q318 I319 | N195-G197 VanDerWaalsContact C-N 3.29Å; N195-G197 PolarHBondContact OD1-N 2.8Å; G197-R220 CarbonylContact C-O 3.43Å; G197-R220 WeakPolarHBondContact CA-O 3.29Å; G197-G221 VanDerWaalsContact CA-O 3.3Å; G197-G221 WeakPolarHBondContact CA-O 3.38Å; G197-G221 PolarHBondContact N-O 3.23Å; G197-Q318 PolarHBondContact O-OE1 2.86Å; G197-I319 WeakPolarHBondContact O-CB 3.28Å; G197-I319 PolarHBondContact O-N 3.16Å | ||
| 198 | S | 96.5 | Very high | 78.6 | Confident | 22 Ų | 22 | 68.5 Ų | 68.5 | 15% | 0.154 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 150.8 | -177.9 | 55.8 | 0 | 0 | 0 | 0 | 111.8 | A219 R220 Q317 | S198-A219 CarbonylContact O-C 3.45Å; S198-A219 WeakPolarHBondContact O-CA 3.17Å; S198-A219 WeakPolarHBondContact O-CB 3.26Å; S198-R220 PolarHBondContact N-O 2.88Å; S198-R220 PolarHBondContact O-N 2.92Å; S198-Q317 CarbonylContact C-O 3.48Å; S198-Q317 WeakPolarHBondContact CA-O 3.49Å |
| 199 | I | 97.3 | Very high | 81 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 129.1 | 174.1 | -174 | 172.3 | 0 | 0 | 0 | 110.3 | V216 A219 V236 F282 A299 S316 Q317 I319 | I199-V216 HydrophobicContact CD1-CG1 4.31Å; I199-A219 HydrophobicContact CB-CB 4.5Å; I199-V236 HydrophobicContact CD1-CG1 4.02Å; I199-V236 HydrophobicContact CD1-CG2 4.01Å; I199-F282 HydrophobicContact CD1-CB 3.94Å; I199-F282 HydrophobicContact CD1-CD1 4.14Å; I199-F282 HydrophobicContact CD1-CG 4.05Å; I199-A299 HydrophobicContact CG2-CB 3.49Å; I199-A299 VanDerWaalsContact CG2-CB 3.49Å; I199-S316 WeakPolarHBondContact O-CA 3.46Å; I199-Q317 HydrophobicContact CG2-CB 4.22Å; I199-Q317 PolarHBondContact N-O 2.84Å; I199-Q317 PolarHBondContact O-N 2.87Å; I199-I319 HydrophobicContact CB-CD1 4.39Å; I199-I319 HydrophobicContact CB-CG1 4.31Å; I199-I319 HydrophobicContact CG2-CG1 4.27Å |
| 200 | S | 97.7 | Very high | 83.5 | Confident | 35 Ų | 35 | 68 Ų | 68 | 25% | 0.245 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 132.6 | 176 | -67.4 | 0 | 0 | 0 | 0 | 110.4 | V217 G218 | S200-V217 WeakPolarHBondContact O-CB 3.11Å; S200-V217 PolarHBondContact O-N 3.03Å; S200-G218 PolarHBondContact N-O 2.95Å; S200-G218 PolarHBondContact O-N 3.12Å |
| 201 | L | 96.9 | Very high | 86 | Confident | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 172.3 | 178.8 | 61.9 | 126.9 | 0 | 0 | 0 | 111.1 | V203 V214 T215 L280 F282 V301 L315 | L201-V203 HydrophobicContact CD1-CG2 3.84Å; L201-V214 HydrophobicContact CD1-CG1 4.39Å; L201-T215 CarbonylContact C-O 3.54Å; L201-T215 WeakPolarHBondContact CA-O 3.27Å; L201-T215 WeakPolarHBondContact CB-O 3.15Å; L201-L280 HydrophobicContact CD1-CD1 4.4Å; L201-F282 HydrophobicContact CD1-CE2 4.23Å; L201-F282 HydrophobicContact CD1-CZ 3.99Å; L201-F282 HydrophobicContact CD2-CE2 3.9Å; L201-F282 HydrophobicContact CD2-CZ 4.14Å; L201-F282 HydrophobicContact CG-CZ 4.46Å; L201-V301 HydrophobicContact CD2-CG2 4.24Å; L201-L315 HydrophobicContact CD1-CB 4.26Å; L201-L315 HydrophobicContact CD1-CD1 4.27Å; L201-L315 HydrophobicContact CG-CB 4.1Å; L201-L315 PolarHBondContact N-O 2.86Å; L201-L315 PolarHBondContact O-N 2.81Å; L201-L315 VanDerWaalsContact O-O 3.06Å |
| 202 | S | 96.7 | Very high | 88.4 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 137.7 | 167.2 | 70.4 | 0 | 0 | 0 | 0 | 112.3 | V214 T215 R312 V313 | S202-V214 WeakPolarHBondContact O-CA 3.18Å; S202-T215 PolarHBondContact N-O 3.36Å; S202-T215 PolarHBondContact O-N 3.17Å; S202-T215 WeakPolarHBondContact OG-CB 3.43Å; S202-R312 VanDerWaalsContact CB-CG 3.49Å; S202-R312 WeakPolarHBondContact OG-CD 3.3Å; S202-R312 WeakPolarHBondContact OG-CG 3.09Å; S202-R312 PolarHBondContact OG-NH1 2.68Å; S202-R312 VanDerWaalsContact OG-NH1 3.09Å; S202-V313 CarbonylContact C-O 3.29Å; S202-V313 WeakPolarHBondContact CA-O 3.4Å; S202-V313 WeakPolarHBondContact CB-O 3.28Å |
| 203 | V | 96.8 | Very high | 90.8 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.006 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 137.3 | -178.2 | -171.7 | 0 | 0 | 0 | 0 | 109.7 | L201 L212 V213 L280 L303 V306 P308 R312 V313 L315 | L201-V203 HydrophobicContact CD1-CG2 3.84Å; V203-L212 HydrophobicContact CG1-CD1 3.59Å; V203-V213 WeakPolarHBondContact CA-O 3.29Å; V203-L280 HydrophobicContact CG2-CD1 4.2Å; V203-L303 HydrophobicContact CG1-CD2 4.23Å; V203-L303 HydrophobicContact CG2-CD2 4.07Å; V203-V306 HydrophobicContact CB-CG1 4.37Å; V203-P308 HydrophobicContact CG1-CB 4.2Å; V203-P308 HydrophobicContact CG1-CG 4.47Å; V203-R312 CarbonylContact O-C 3.58Å; V203-R312 WeakPolarHBondContact O-CA 3.39Å; V203-V313 PolarHBondContact N-O 2.78Å; V203-V313 PolarHBondContact O-N 3.18Å; V203-L315 HydrophobicContact CG2-CD1 3.99Å |
| 204 | D | 95.9 | Very high | 92.8 | Very high | 48 Ų | 48 | 42.7 Ų | 42.7 | 26% | 0.257 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 154.5 | -176.6 | 175.8 | 19.2 | 0 | 0 | 0 | 107.8 | V213 R312 | D204-V213 HydrophobicContact CB-CB 4.11Å; D204-V213 HydrophobicContact CB-CG1 4.47Å; D204-V213 PolarHBondContact N-O 3.39Å; D204-V213 WeakPolarHBondContact O-CA 3.37Å; D204-V213 WeakPolarHBondContact O-CB 3.5Å; D204-V213 PolarHBondContact O-N 3.08Å; D204-V213 VanDerWaalsContact O-O 3.06Å; D204-R312 HydrophobicContact CB-CB 4.46Å |
| 205 | Y | 95.7 | Very high | 94.3 | Very high | 13 Ų | 13 | 38.9 Ų | 38.9 | 5% | 0.051 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 115.3 | -176.7 | -174.4 | -89.1 | 0 | 0 | 0 | 113.1 | F207 L212 V270 Y272 L275 P308 | Y205-F207 AromaticContact CD1-CD1 3.76Å; Y205-F207 HydrophobicContact CD1-CD1 3.76Å; Y205-F207 AromaticContact CD1-CD2 3.95Å; Y205-F207 HydrophobicContact CD1-CD2 3.95Å; Y205-F207 AromaticContact CD1-CE1 3.77Å; Y205-F207 HydrophobicContact CD1-CE1 3.77Å; Y205-F207 AromaticContact CD1-CE2 3.99Å; Y205-F207 HydrophobicContact CD1-CE2 3.99Å; Y205-F207 AromaticContact CD1-CG 3.83Å; Y205-F207 HydrophobicContact CD1-CG 3.83Å; Y205-F207 AromaticContact CD1-CZ 3.88Å; Y205-F207 HydrophobicContact CD1-CZ 3.88Å; Y205-F207 HydrophobicContact CE1-CB 4.39Å; Y205-F207 AromaticContact CE1-CD1 3.51Å; Y205-F207 HydrophobicContact CE1-CD1 3.51Å; Y205-F207 HydrophobicContact CE1-CD2 4.45Å; Y205-F207 AromaticContact CE1-CE1 3.78Å; Y205-F207 HydrophobicContact CE1-CE1 3.78Å; Y205-F207 AromaticContact CE1-CG 3.87Å; Y205-F207 HydrophobicContact CE1-CG 3.87Å; Y205-F207 HydrophobicContact CE1-CZ 4.37Å; Y205-F207 PolarHBondContact O-N 3.29Å; Y205-L212 HydrophobicContact CD2-CB 4.35Å; Y205-V270 WeakPolarHBondContact CE2-O 3.38Å; Y205-V270 PolarHBondContact OH-O 3.09Å; Y205-Y272 AromaticContact CD1-CD2 3.64Å; Y205-Y272 HydrophobicContact CD1-CD2 3.64Å; Y205-Y272 HydrophobicContact CD1-CE2 4.48Å; Y205-Y272 HydrophobicContact CD1-CG 4.45Å; Y205-Y272 HydrophobicContact CD2-CD2 4.26Å; Y205-Y272 AromaticContact CE1-CD2 3.92Å; Y205-Y272 HydrophobicContact CE1-CD2 3.92Å; Y205-Y272 HydrophobicContact CE1-CG 4.29Å; Y205-Y272 AromaticContact CG-CD2 3.83Å; Y205-Y272 HydrophobicContact CG-CD2 3.83Å; Y205-Y272 PolarHBondContact OH-N 2.91Å; Y205-Y272 VanDerWaalsContact OH-N 3.08Å; Y205-L275 HydrophobicContact CD2-CD1 3.93Å; Y205-L275 HydrophobicContact CE2-CD1 4.44Å; Y205-L275 HydrophobicContact CG-CD1 4.4Å; Y205-P308 PolarHBondContact N-O 3.38Å |
| 206 | N | 94.4 | Very high | 95 | Very high | 54 Ų | 54 | 32.8 Ų | 32.8 | 29% | 0.289 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 92.4 | -178.9 | -163.4 | -78.2 | 0 | 0 | 0 | 110.8 | P208 K209 K210 A211 V213 | N206-P208 WeakPolarHBondContact OD1-CD 3.46Å; N206-K209 HydrophobicContact CB-CB 4.34Å; N206-K209 PolarHBondContact O-N 2.54Å; N206-K209 WeakPolarHBondContact OD1-CB 3.32Å; N206-K209 VanDerWaalsContact OD1-CG 3.23Å; N206-K209 WeakPolarHBondContact OD1-CG 3.4Å; N206-K209 PolarHBondContact OD1-N 2.8Å; N206-K210 PolarHBondContact O-N 3.43Å; N206-A211 PolarHBondContact N-O 3.16Å; N206-A211 PolarHBondContact O-N 3.36Å; N206-V213 HydrophobicContact CB-CG2 4.39Å |
| 207 | F | 92.9 | Very high | 95.3 | Very high | 98 Ų | 98 | 33.9 Ų | 33.9 | 43% | 0.43 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -47.6 | 177.6 | -66.8 | -85.1 | 0 | 0 | 0 | 114.1 | Y205 K209 K210 Y272 | Y205-F207 AromaticContact CD1-CD1 3.76Å; Y205-F207 HydrophobicContact CD1-CD1 3.76Å; Y205-F207 AromaticContact CD1-CD2 3.95Å; Y205-F207 HydrophobicContact CD1-CD2 3.95Å; Y205-F207 AromaticContact CD1-CE1 3.77Å; Y205-F207 HydrophobicContact CD1-CE1 3.77Å; Y205-F207 AromaticContact CD1-CE2 3.99Å; Y205-F207 HydrophobicContact CD1-CE2 3.99Å; Y205-F207 AromaticContact CD1-CG 3.83Å; Y205-F207 HydrophobicContact CD1-CG 3.83Å; Y205-F207 AromaticContact CD1-CZ 3.88Å; Y205-F207 HydrophobicContact CD1-CZ 3.88Å; Y205-F207 HydrophobicContact CE1-CB 4.39Å; Y205-F207 AromaticContact CE1-CD1 3.51Å; Y205-F207 HydrophobicContact CE1-CD1 3.51Å; Y205-F207 HydrophobicContact CE1-CD2 4.45Å; Y205-F207 AromaticContact CE1-CE1 3.78Å; Y205-F207 HydrophobicContact CE1-CE1 3.78Å; Y205-F207 AromaticContact CE1-CG 3.87Å; Y205-F207 HydrophobicContact CE1-CG 3.87Å; Y205-F207 HydrophobicContact CE1-CZ 4.37Å; Y205-F207 PolarHBondContact O-N 3.29Å; F207-K209 VanDerWaalsContact C-N 3.29Å; F207-K209 PolarHBondContact O-N 3.06Å; F207-K210 PolarHBondContact O-N 3.35Å; F207-K210 VanDerWaalsContact O-N 3.14Å; F207-Y272 HydrophobicContact CE1-CD1 4.38Å; F207-Y272 AromaticContact CE1-CD2 3.7Å; F207-Y272 HydrophobicContact CE1-CD2 3.7Å; F207-Y272 HydrophobicContact CE1-CE2 4.18Å; F207-Y272 AromaticContact CE1-CG 3.82Å; F207-Y272 HydrophobicContact CE1-CG 3.82Å; F207-Y272 AromaticContact CZ-CD2 3.75Å; F207-Y272 HydrophobicContact CZ-CD2 3.75Å; F207-Y272 AromaticContact CZ-CE2 3.79Å; F207-Y272 HydrophobicContact CZ-CE2 3.79Å; F207-Y272 HydrophobicContact CZ-CG 4.28Å |
| 208 | P | 92.4 | Very high | 95.5 | Very high | 122 Ų | 122 | 34 Ų | 34 | 79% | 0.792 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -35.5 | 179.7 | -26.3 | 35.9 | 0 | 0 | 0 | 114.1 | N206 | N206-P208 WeakPolarHBondContact OD1-CD 3.46Š|
| 209 | K | 90 | Very high | 95.5 | Very high | 111 Ų | 111 | 33.1 Ų | 33.1 | 48% | 0.483 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -3.5 | 179.6 | -65.1 | 174 | -179.7 | 179.6 | 0 | 113.8 | N206 F207 A211 Y268 | N206-K209 HydrophobicContact CB-CB 4.34Å; N206-K209 PolarHBondContact O-N 2.54Å; N206-K209 WeakPolarHBondContact OD1-CB 3.32Å; N206-K209 VanDerWaalsContact OD1-CG 3.23Å; N206-K209 WeakPolarHBondContact OD1-CG 3.4Å; N206-K209 PolarHBondContact OD1-N 2.8Å; F207-K209 VanDerWaalsContact C-N 3.29Å; F207-K209 PolarHBondContact O-N 3.06Å; K209-A211 VanDerWaalsContact C-N 3.32Å; K209-A211 HydrophobicContact CB-CB 4.12Å; K209-A211 PolarHBondContact O-N 3.44Å; K209-Y268 HydrophobicContact CB-CD1 4.33Å; K209-Y268 HydrophobicContact CB-CE1 4.06Å; K209-Y268 HydrophobicContact CD-CE1 4.17Å; K209-Y268 HydrophobicContact CG-CE1 4.44Å |
| 210 | K | 92.2 | Very high | 95.4 | Very high | 146 Ų | 146 | 40.2 Ų | 40.2 | 64% | 0.635 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 44 | 58.1 | -170 | -61.9 | -177.8 | -179.4 | -179.6 | 0 | 111.1 | N206 F207 G269 | N206-K210 PolarHBondContact O-N 3.43Å; F207-K210 PolarHBondContact O-N 3.35Å; F207-K210 VanDerWaalsContact O-N 3.14Å; K210-G269 PolarHBondContact O-N 2.88Å |
| 211 | A | 93.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 127.6 | -171 | 0 | 0 | 0 | 0 | 0 | 112.3 | N206 K209 T266 F267 Y268 | N206-A211 PolarHBondContact N-O 3.16Å; N206-A211 PolarHBondContact O-N 3.36Å; K209-A211 VanDerWaalsContact C-N 3.32Å; K209-A211 HydrophobicContact CB-CB 4.12Å; K209-A211 PolarHBondContact O-N 3.44Å; A211-T266 HydrophobicContact CB-CG2 3.77Å; A211-F267 VanDerWaalsContact CA-O 3.3Å; A211-F267 WeakPolarHBondContact CA-O 3.4Å; A211-Y268 HydrophobicContact CB-CD1 3.93Å; A211-Y268 HydrophobicContact CB-CE1 4.38Å; A211-Y268 HydrophobicContact CB-CG 4.21Å |
| 212 | L | 94.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 131.2 | 169.1 | 175.3 | 64.4 | 0 | 0 | 0 | 109.3 | V203 Y205 V214 I240 F267 V270 L275 L280 L303 | V203-L212 HydrophobicContact CG1-CD1 3.59Å; Y205-L212 HydrophobicContact CD2-CB 4.35Å; L212-V214 HydrophobicContact CD1-CG2 4.43Å; L212-V214 HydrophobicContact CD2-CG2 4.37Å; L212-V214 HydrophobicContact CG-CG2 4.09Å; L212-I240 HydrophobicContact CD2-CD1 4.24Å; L212-F267 HydrophobicContact CB-CB 4.36Å; L212-F267 PolarHBondContact N-O 2.88Å; L212-F267 VanDerWaalsContact N-O 3.12Å; L212-F267 PolarHBondContact O-N 2.87Å; L212-V270 HydrophobicContact CB-CB 4.03Å; L212-V270 HydrophobicContact CB-CG1 3.96Å; L212-V270 HydrophobicContact CB-CG2 4.38Å; L212-V270 HydrophobicContact CD2-CG1 4.34Å; L212-L275 HydrophobicContact CB-CD2 4.37Å; L212-L275 HydrophobicContact CD1-CD2 3.83Å; L212-L275 HydrophobicContact CD2-CD2 4Å; L212-L275 HydrophobicContact CG-CD2 4.29Å; L212-L280 HydrophobicContact CD2-CD2 4.42Å; L212-L303 HydrophobicContact CD1-CD1 4.41Å; L212-L303 HydrophobicContact CD2-CD1 3.85Å |
| 213 | V | 95.6 | Very high | 94.8 | Very high | 14 Ų | 14 | 42.8 Ų | 42.8 | 9% | 0.085 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 126.4 | 178.7 | -179.3 | 0 | 0 | 0 | 0 | 108.4 | V203 D204 N206 T264 F265 T266 | V203-V213 WeakPolarHBondContact CA-O 3.29Å; D204-V213 HydrophobicContact CB-CB 4.11Å; D204-V213 HydrophobicContact CB-CG1 4.47Å; D204-V213 PolarHBondContact N-O 3.39Å; D204-V213 WeakPolarHBondContact O-CA 3.37Å; D204-V213 WeakPolarHBondContact O-CB 3.5Å; D204-V213 PolarHBondContact O-N 3.08Å; D204-V213 VanDerWaalsContact O-O 3.06Å; N206-V213 HydrophobicContact CB-CG2 4.39Å; V213-T264 HydrophobicContact CG1-CG2 3.53Å; V213-F265 WeakPolarHBondContact CA-O 3.34Å; V213-T266 HydrophobicContact CG2-CG2 4.2Å |
| 214 | V | 96.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 120.3 | 177.9 | -176.8 | 0 | 0 | 0 | 0 | 108.9 | L201 S202 L212 M238 F265 F267 L280 F282 | L201-V214 HydrophobicContact CD1-CG1 4.39Å; S202-V214 WeakPolarHBondContact O-CA 3.18Å; L212-V214 HydrophobicContact CD1-CG2 4.43Å; L212-V214 HydrophobicContact CD2-CG2 4.37Å; L212-V214 HydrophobicContact CG-CG2 4.09Å; V214-M238 HydrophobicContact CB-CE 3.81Å; V214-M238 HydrophobicContact CB-SD 4.27Å; V214-M238 HydrophobicContact CG1-CE 3.82Å; V214-M238 HydrophobicContact CG1-SD 4.06Å; V214-M238 HydrophobicContact CG2-CE 3.79Å; V214-F265 PolarHBondContact N-O 3.48Å; V214-F265 PolarHBondContact O-N 2.82Å; V214-F267 HydrophobicContact CB-CE2 4.33Å; V214-F267 HydrophobicContact CG2-CE2 4.32Å; V214-L280 HydrophobicContact CG1-CD1 4.04Å; V214-L280 HydrophobicContact CG2-CD1 3.81Å; V214-F282 HydrophobicContact CG1-CZ 4.24Å |
| 215 | T | 97.3 | Very high | 93.7 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.006 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 121.8 | 169.7 | -46.9 | 0 | 0 | 0 | 0 | 109 | L201 S202 V217 D262 E263 T264 R312 | L201-T215 CarbonylContact C-O 3.54Å; L201-T215 WeakPolarHBondContact CA-O 3.27Å; L201-T215 WeakPolarHBondContact CB-O 3.15Å; S202-T215 PolarHBondContact N-O 3.36Å; S202-T215 PolarHBondContact O-N 3.17Å; S202-T215 WeakPolarHBondContact OG-CB 3.43Å; T215-V217 HydrophobicContact CG2-CG2 4.18Å; T215-V217 PolarHBondContact O-N 2.95Å; T215-D262 WeakPolarHBondContact CG2-OD1 3.38Å; T215-E263 CarbonylContact C-O 3.51Å; T215-E263 VanDerWaalsContact CA-O 3.32Å; T215-E263 WeakPolarHBondContact CA-O 3.32Å; T215-T264 PolarHBondContact OG1-OG1 2.65Å; T215-R312 PolarHBondContact OG1-NH1 2.81Å; T215-R312 VanDerWaalsContact OG1-NH1 3.08Å; T215-R312 PolarHBondContact OG1-NH2 2.91Å; T215-R312 VanDerWaalsContact OG1-NH2 3.1Å |
| 216 | V | 97.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 106.8 | 164.4 | 179.2 | 0 | 0 | 0 | 0 | 106.4 | I199 V236 T250 F261 D262 E263 F265 F282 | I199-V216 HydrophobicContact CD1-CG1 4.31Å; V216-V236 HydrophobicContact CG1-CG2 4.42Å; V216-T250 HydrophobicContact CB-CG2 4.09Å; V216-T250 HydrophobicContact CG1-CG2 3.97Å; V216-T250 HydrophobicContact CG2-CG2 4.42Å; V216-F261 HydrophobicContact CG1-CB 4.2Å; V216-F261 HydrophobicContact CG1-CD2 3.81Å; V216-F261 HydrophobicContact CG1-CG 4.3Å; V216-D262 WeakPolarHBondContact O-CA 3.46Å; V216-D262 PolarHBondContact O-N 3.07Å; V216-D262 VanDerWaalsContact O-N 3.09Å; V216-E263 PolarHBondContact N-O 2.93Å; V216-E263 PolarHBondContact O-N 3.15Å; V216-F265 HydrophobicContact CB-CE2 4.42Å; V216-F265 HydrophobicContact CG2-CD2 4.29Å; V216-F265 HydrophobicContact CG2-CE2 3.91Å; V216-F282 HydrophobicContact CG2-CD1 4.29Å; V216-F282 HydrophobicContact CG2-CE1 3.86Å |
| 217 | V | 97.3 | Very high | 91.1 | Very high | 42 Ų | 42 | 53.4 Ų | 53.4 | 26% | 0.255 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | -47.1 | -172.6 | 179.7 | 0 | 0 | 0 | 0 | 110.1 | S200 T215 I260 F261 D262 | S200-V217 WeakPolarHBondContact O-CB 3.11Å; S200-V217 PolarHBondContact O-N 3.03Å; T215-V217 HydrophobicContact CG2-CG2 4.18Å; T215-V217 PolarHBondContact O-N 2.95Å; V217-I260 CarbonylContact O-C 3.55Å; V217-F261 PolarHBondContact O-N 3.05Å; V217-D262 PolarHBondContact O-N 2.88Å |
| 218 | G | 96.6 | Very high | 89.7 | Confident | 7 Ų | 7 | 56.8 Ų | 56.8 | 7% | 0.072 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 175.2 | 179 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S200 P259 | S200-G218 PolarHBondContact N-O 2.95Å; S200-G218 PolarHBondContact O-N 3.12Å; G218-P259 CarbonylContact C-O 3.12Å; G218-P259 WeakPolarHBondContact CA-O 3.4Å |
| 219 | A | 97.2 | Very high | 88.4 | Confident | 2 Ų | 2 | 52.9 Ų | 52.9 | 2% | 0.017 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 163 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | S198 I199 L222 D258 P259 I319 | S198-A219 CarbonylContact O-C 3.45Å; S198-A219 WeakPolarHBondContact O-CA 3.17Å; S198-A219 WeakPolarHBondContact O-CB 3.26Å; I199-A219 HydrophobicContact CB-CB 4.5Å; A219-L222 HydrophobicContact CB-CD1 4.21Å; A219-L222 HydrophobicContact CB-CD2 3.97Å; A219-L222 HydrophobicContact CB-CG 4.18Å; A219-D258 CarbonylContact O-C 3.56Å; A219-D258 VanDerWaalsContact O-CA 3.31Å; A219-D258 WeakPolarHBondContact O-CA 3.43Å; A219-P259 HydrophobicContact CB-CG 3.9Å; A219-P259 PolarHBondContact N-O 3.07Å; A219-P259 WeakPolarHBondContact O-CD 3.44Å; A219-I319 HydrophobicContact CB-CD1 4.44Å |
| 220 | R | 95.6 | Very high | 87.9 | Confident | 149 Ų | 149 | 50 Ų | 50 | 56% | 0.562 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 141.2 | -177.7 | -67.9 | -170.8 | 169.4 | -76.3 | 5.1 | 112 | G197 S198 D258 | G197-R220 CarbonylContact C-O 3.43Å; G197-R220 WeakPolarHBondContact CA-O 3.29Å; S198-R220 PolarHBondContact N-O 2.88Å; S198-R220 PolarHBondContact O-N 2.92Å; R220-D258 WeakPolarHBondContact CA-OD1 3.33Å; R220-D258 VanDerWaalsContact CB-OD1 3.28Å; R220-D258 WeakPolarHBondContact CB-OD1 3.38Å; R220-D258 WeakPolarHBondContact CG-OD1 3.43Å; R220-D258 IonicContact NH1-OD1 3.62Å; R220-D258 PolarHBondContact NH1-OD1 3.39Å |
| 221 | G | 93 | Very high | 87.6 | Confident | 43 Ų | 43 | 43.8 Ų | 43.8 | 44% | 0.443 | 26% | 0.255 | S | S | . | . | S | Bend | trans | 63.6 | 36 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | G197 L257 D258 | G197-G221 VanDerWaalsContact CA-O 3.3Å; G197-G221 WeakPolarHBondContact CA-O 3.38Å; G197-G221 PolarHBondContact N-O 3.23Å; G221-L257 PolarHBondContact N-O 3.13Å; G221-D258 PolarHBondContact N-OD1 3.34Å |
| 222 | L | 94.4 | Very high | 87.4 | Confident | 5 Ų | 5 | 43.9 Ų | 43.9 | 3% | 0.026 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 148.7 | 173.6 | -59.6 | -179.5 | 0 | 0 | 0 | 110.7 | A219 P234 L257 P259 V284 I296 I319 | A219-L222 HydrophobicContact CB-CD1 4.21Å; A219-L222 HydrophobicContact CB-CD2 3.97Å; A219-L222 HydrophobicContact CB-CG 4.18Å; L222-P234 HydrophobicContact CD1-CB 3.61Å; L222-P234 HydrophobicContact CD1-CG 4.08Å; L222-L257 WeakPolarHBondContact CB-O 3.49Å; L222-L257 WeakPolarHBondContact CG-O 3.17Å; L222-L257 PolarHBondContact N-O 2.95Å; L222-L257 WeakPolarHBondContact O-CB 3.24Å; L222-L257 WeakPolarHBondContact O-CD2 3.47Å; L222-P259 HydrophobicContact CD1-CG 3.76Å; L222-V284 HydrophobicContact CD1-CG1 4.3Å; L222-V284 HydrophobicContact CD2-CG1 4.19Å; L222-I296 HydrophobicContact CD1-CD1 4.32Å; L222-I296 HydrophobicContact CD2-CG2 4.23Å; L222-I319 HydrophobicContact CD2-CD1 3.4Å; L222-I319 VanDerWaalsContact CD2-CD1 3.4Å |
| 223 | P | 91.1 | Very high | 87.3 | Confident | 43 Ų | 43 | 44.7 Ų | 44.7 | 28% | 0.279 | 26% | 0.26 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 147.8 | 169.5 | 27.9 | -36.6 | 0 | 0 | 0 | 111.9 | L196 S232 I296 | L196-P223 HydrophobicContact CD2-CG 4.03Å; P223-S232 PolarHBondContact O-OG 2.74Å; P223-I296 HydrophobicContact CG-CG2 3.69Å |
| 224 | A | 88.6 | Confident | 87.4 | Confident | 44 Ų | 44 | 44 Ų | 44 | 36% | 0.364 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -71.4 | 124.7 | 162.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | G230 L257 | A224-G230 VanDerWaalsContact CB-C 3.49Å; A224-L257 HydrophobicContact CB-CD1 4.45Å; A224-L257 HydrophobicContact CB-CD2 4.35Å |
| 225 | V | 80.1 | Confident | 87.4 | Confident | 52 Ų | 52 | 44.7 Ų | 44.7 | 32% | 0.315 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -95.6 | -34.7 | 174.9 | -179.9 | 0 | 0 | 0 | 0 | 110.8 | E227 S231 S232 D294 I296 | V225-E227 PolarHBondContact O-N 2.82Å; V225-S231 PolarHBondContact N-O 3.04Å; V225-S232 PolarHBondContact N-OG 3.26Å; V225-D294 HydrophobicContact CG1-CB 3.79Å; V225-D294 WeakPolarHBondContact CG1-OD2 3.18Å; V225-I296 HydrophobicContact CG2-CD1 4.45Å; V225-I296 HydrophobicContact CG2-CG1 3.93Å |
| 226 | D | 71.9 | Confident | 87.3 | Confident | 74 Ų | 74 | 44.7 Ų | 44.7 | 40% | 0.396 | 26% | 0.258 | S | S | . | . | B | Isolated β-bridge | trans | -84.1 | 96.4 | 170.8 | -177.2 | -17.4 | 0 | 0 | 0 | 108.9 | Q228 A229 G230 S231 | D226-Q228 PolarHBondContact O-N 2.82Å; D226-Q228 WeakPolarHBondContact OD1-CA 3.35Å; D226-Q228 WeakPolarHBondContact OD1-CB 3.2Å; D226-Q228 PolarHBondContact OD1-N 3.42Å; D226-A229 HydrophobicContact CB-CB 4.04Å; D226-A229 PolarHBondContact O-N 2.9Å; D226-A229 PolarHBondContact OD1-N 3.01Å; D226-A229 WeakPolarHBondContact OD2-CB 3.2Å; D226-G230 WeakPolarHBondContact O-CA 3.17Å; D226-G230 PolarHBondContact O-N 2.82Å; D226-S231 PolarHBondContact N-O 3.46Å; D226-S231 PolarHBondContact O-N 3.22Å |
| 227 | E | 63.5 | Low | 87.1 | Confident | 169 Ų | 169 | 46.8 Ų | 46.8 | 79% | 0.79 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -26.3 | 176.1 | -69.9 | -177.3 | 168 | 0 | 0 | 113 | V225 | V225-E227 PolarHBondContact O-N 2.82Š|
| 228 | Q | 64 | Low | 87 | Confident | 168 Ų | 168 | 45 Ų | 45 | 79% | 0.785 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -26.7 | -179.3 | -68.5 | 83.6 | 65.3 | 0 | 0 | 112.6 | D226 | D226-Q228 PolarHBondContact O-N 2.82Å; D226-Q228 WeakPolarHBondContact OD1-CA 3.35Å; D226-Q228 WeakPolarHBondContact OD1-CB 3.2Å; D226-Q228 PolarHBondContact OD1-N 3.42Å |
| 229 | A | 66.4 | Low | 86.6 | Confident | 41 Ų | 41 | 45.2 Ų | 45.2 | 34% | 0.339 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | -10.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | D226 S231 | D226-A229 HydrophobicContact CB-CB 4.04Å; D226-A229 PolarHBondContact O-N 2.9Å; D226-A229 PolarHBondContact OD1-N 3.01Å; D226-A229 WeakPolarHBondContact OD2-CB 3.2Å; A229-S231 PolarHBondContact O-N 3.05Å |
| 230 | G | 78 | Confident | 86.2 | Confident | 49 Ų | 49 | 45.2 Ų | 45.2 | 51% | 0.505 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.1 | 31 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113 | A224 D226 | A224-G230 VanDerWaalsContact CB-C 3.49Å; D226-G230 WeakPolarHBondContact O-CA 3.17Å; D226-G230 PolarHBondContact O-N 2.82Å |
| 231 | S | 85.6 | Confident | 85.6 | Confident | 16 Ų | 16 | 40.1 Ų | 40.1 | 11% | 0.112 | 24% | 0.24 | C | C | . | . | B | Isolated β-bridge | trans | -154.8 | -177.9 | -168.2 | -147.4 | 0 | 0 | 0 | 0 | 113.5 | V225 D226 A229 K255 T256 | V225-S231 PolarHBondContact N-O 3.04Å; D226-S231 PolarHBondContact N-O 3.46Å; D226-S231 PolarHBondContact O-N 3.22Å; A229-S231 PolarHBondContact O-N 3.05Å; S231-K255 VanDerWaalsContact OG-CA 3.29Å; S231-K255 WeakPolarHBondContact OG-CA 3.27Å; S231-T256 PolarHBondContact OG-N 2.85Å |
| 232 | S | 90 | Very high | 84.6 | Confident | 3 Ų | 3 | 42.9 Ų | 42.9 | 2% | 0.021 | 25% | 0.25 | C | C | . | . | trans | -140.3 | 158.6 | 177.7 | -68 | 0 | 0 | 0 | 0 | 110 | P223 V225 P234 K255 T256 | P223-S232 PolarHBondContact O-OG 2.74Å; V225-S232 PolarHBondContact N-OG 3.26Å; S232-P234 WeakPolarHBondContact O-CD 3.49Å; S232-K255 CarbonylContact O-C 3.57Å; S232-K255 VanDerWaalsContact O-CA 3.26Å; S232-K255 WeakPolarHBondContact O-CA 3.45Å; S232-K255 PolarHBondContact O-N 2.92Å; S232-K255 VanDerWaalsContact O-N 3.11Å; S232-T256 PolarHBondContact O-N 3.03Å | ||
| 233 | D | 93.7 | Very high | 83 | Confident | 16 Ų | 16 | 47.3 Ų | 47.3 | 9% | 0.086 | 27% | 0.271 | C | S | . | . | trans | -109 | 69.9 | 171.4 | -83.2 | -0.5 | 0 | 0 | 0 | 109.5 | V252 L253 R254 K255 S286 F287 | D233-V252 HydrophobicContact CB-CG1 4.1Å; D233-L253 CarbonylContact C-O 3.38Å; D233-L253 WeakPolarHBondContact CA-O 3.47Å; D233-R254 WeakPolarHBondContact OD1-CA 3.34Å; D233-R254 WeakPolarHBondContact OD1-CB 3.42Å; D233-R254 IonicContact OD1-NE 3.6Å; D233-R254 IonicContact OD2-CZ 2.74Å; D233-R254 IonicContact OD2-NE 2.82Å; D233-R254 PolarHBondContact OD2-NE 2.9Å; D233-R254 IonicContact OD2-NH2 2.73Å; D233-R254 PolarHBondContact OD2-NH2 2.79Å; D233-K255 PolarHBondContact OD1-N 2.91Å; D233-S286 PolarHBondContact N-OG 3.07Å; D233-F287 HydrophobicContact CB-CB 4.17Å; D233-F287 PolarHBondContact O-N 2.92Å | ||
| 234 | P | 96.1 | Very high | 81.8 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 146 | -164.9 | 30.2 | -39.7 | 0 | 0 | 0 | 114.8 | L222 S232 L253 T256 P259 F261 L285 | L222-P234 HydrophobicContact CD1-CB 3.61Å; L222-P234 HydrophobicContact CD1-CG 4.08Å; S232-P234 WeakPolarHBondContact O-CD 3.49Å; P234-L253 VanDerWaalsContact CD-O 3.28Å; P234-L253 WeakPolarHBondContact CD-O 3.41Å; P234-L253 PolarHBondContact O-N 3.02Å; P234-L253 VanDerWaalsContact O-N 3.08Å; P234-T256 VanDerWaalsContact CD-O 3.26Å; P234-T256 WeakPolarHBondContact CD-O 3.46Å; P234-T256 HydrophobicContact CG-CG2 3.77Å; P234-T256 WeakPolarHBondContact CG-O 3.48Å; P234-P259 HydrophobicContact CB-CB 4.44Å; P234-P259 HydrophobicContact CB-CG 4.03Å; P234-P259 HydrophobicContact CG-CB 3.69Å; P234-P259 HydrophobicContact CG-CG 3.63Å; P234-F261 HydrophobicContact CB-CZ 4.44Å; P234-L285 CarbonylContact C-O 3.58Å; P234-L285 VanDerWaalsContact CA-O 3.26Å; P234-L285 WeakPolarHBondContact CA-O 3.42Å |
| 235 | Y | 96.8 | Very high | 80.9 | Confident | 14 Ų | 14 | 55.1 Ų | 55.1 | 6% | 0.055 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 161 | 164.2 | 80.7 | -82.4 | 0 | 0 | 0 | 112.1 | K237 K249 R251 V252 L285 F287 D293 | Y235-K237 HydrophobicContact CD2-CG 4.42Å; Y235-K237 HydrophobicContact CE2-CD 4.3Å; Y235-K237 VanDerWaalsContact CE2-CE 3.46Å; Y235-K237 HydrophobicContact CE2-CG 3.78Å; Y235-K237 VanDerWaalsContact CZ-CE 3.44Å; Y235-K237 WeakPolarHBondContact OH-CE 3.27Å; Y235-K237 PolarHBondContact OH-NZ 3.38Å; Y235-K249 HydrophobicContact CE2-CD 4.24Å; Y235-R251 WeakPolarHBondContact CB-O 3.37Å; Y235-V252 HydrophobicContact CD1-CG2 3.95Å; Y235-V252 HydrophobicContact CG-CG2 4.05Å; Y235-L285 HydrophobicContact CD1-CB 4.28Å; Y235-L285 HydrophobicContact CE1-CB 4Å; Y235-L285 HydrophobicContact CE2-CD1 4.4Å; Y235-L285 PolarHBondContact N-O 2.84Å; Y235-L285 PolarHBondContact O-N 3.21Å; Y235-F287 HydrophobicContact CD1-CB 4.1Å; Y235-F287 HydrophobicContact CE1-CB 4.13Å; Y235-D293 HydrophobicContact CE1-CB 4.42Å; Y235-D293 PolarHBondContact OH-OD2 2.89Å |
| 236 | V | 96.8 | Very high | 80.7 | Confident | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.006 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 130 | -176.1 | -175.1 | 0 | 0 | 0 | 0 | 110.8 | I199 V216 K249 T250 F261 F282 L283 V284 | I199-V236 HydrophobicContact CD1-CG1 4.02Å; I199-V236 HydrophobicContact CD1-CG2 4.01Å; V216-V236 HydrophobicContact CG1-CG2 4.42Å; V236-K249 CarbonylContact O-C 3.47Å; V236-K249 VanDerWaalsContact O-CA 3.28Å; V236-K249 WeakPolarHBondContact O-CA 3.36Å; V236-T250 HydrophobicContact CB-CG2 4.04Å; V236-T250 PolarHBondContact N-OG1 2.97Å; V236-T250 PolarHBondContact O-N 2.86Å; V236-F261 HydrophobicContact CG2-CD2 4.26Å; V236-F261 HydrophobicContact CG2-CE2 3.6Å; V236-F261 HydrophobicContact CG2-CZ 3.94Å; V236-F282 HydrophobicContact CG1-CB 3.88Å; V236-F282 HydrophobicContact CG1-CD1 3.95Å; V236-F282 HydrophobicContact CG1-CG 4.42Å; V236-L283 CarbonylContact C-O 3.43Å; V236-L283 WeakPolarHBondContact CA-O 3.13Å; V236-V284 HydrophobicContact CG2-CG2 4.31Å |
| 237 | K | 93.6 | Very high | 81.4 | Confident | 45 Ų | 45 | 60.7 Ų | 60.7 | 20% | 0.196 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 113.4 | 165.9 | -59.5 | 173.4 | -176 | 146.3 | 0 | 107.8 | Y235 K249 L283 L285 D293 | Y235-K237 HydrophobicContact CD2-CG 4.42Å; Y235-K237 HydrophobicContact CE2-CD 4.3Å; Y235-K237 VanDerWaalsContact CE2-CE 3.46Å; Y235-K237 HydrophobicContact CE2-CG 3.78Å; Y235-K237 VanDerWaalsContact CZ-CE 3.44Å; Y235-K237 WeakPolarHBondContact OH-CE 3.27Å; Y235-K237 PolarHBondContact OH-NZ 3.38Å; K237-K249 HydrophobicContact CG-CD 4.44Å; K237-K249 HydrophobicContact CG-CG 4.17Å; K237-L283 HydrophobicContact CB-CB 4.29Å; K237-L283 HydrophobicContact CD-CD2 4.29Å; K237-L283 PolarHBondContact N-O 3.1Å; K237-L283 PolarHBondContact O-N 3.08Å; K237-L285 HydrophobicContact CB-CD1 4.43Å; K237-L285 HydrophobicContact CD-CD1 3.56Å; K237-L285 HydrophobicContact CG-CD1 3.73Å; K237-D293 IonicContact NZ-OD2 2.96Å; K237-D293 PolarHBondContact NZ-OD2 3.3Å |
| 238 | M | 93.6 | Very high | 82.7 | Confident | 3 Ų | 3 | 54.4 Ų | 54.4 | 2% | 0.015 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 135.7 | 178.2 | 175 | -166.5 | 171.8 | 0 | 0 | 110.2 | V214 I240 R247 V248 F265 F267 L280 H281 F282 | V214-M238 HydrophobicContact CB-CE 3.81Å; V214-M238 HydrophobicContact CB-SD 4.27Å; V214-M238 HydrophobicContact CG1-CE 3.82Å; V214-M238 HydrophobicContact CG1-SD 4.06Å; V214-M238 HydrophobicContact CG2-CE 3.79Å; M238-I240 HydrophobicContact CE-CG1 4.39Å; M238-R247 WeakPolarHBondContact O-CA 3.46Å; M238-V248 HydrophobicContact CB-CG2 3.75Å; M238-V248 HydrophobicContact CG-CG2 4.22Å; M238-V248 PolarHBondContact N-O 3.13Å; M238-V248 PolarHBondContact O-N 2.68Å; M238-V248 HydrophobicContact SD-CG2 3.99Å; M238-F265 HydrophobicContact SD-CD2 4.27Å; M238-F267 HydrophobicContact CE-CE2 3.55Å; M238-F267 HydrophobicContact CE-CZ 3.68Å; M238-F267 HydrophobicContact SD-CE2 4.07Å; M238-F267 HydrophobicContact SD-CZ 3.86Å; M238-L280 HydrophobicContact CE-CD1 4.12Å; M238-L280 HydrophobicContact CE-CD2 3.74Å; M238-L280 HydrophobicContact CE-CG 4.35Å; M238-H281 CarbonylContact C-O 3.23Å; M238-H281 WeakPolarHBondContact CA-O 3.49Å; M238-F282 HydrophobicContact CB-CD1 3.86Å; M238-F282 HydrophobicContact CB-CE1 3.99Å; M238-F282 HydrophobicContact CE-CE1 4.36Å; M238-F282 HydrophobicContact CE-CZ 4.43Å; M238-F282 HydrophobicContact CG-CD1 3.84Å; M238-F282 HydrophobicContact CG-CE1 3.54Å; M238-F282 HydrophobicContact CG-CZ 4.3Å; M238-F282 HydrophobicContact SD-CE1 3.73Å; M238-F282 HydrophobicContact SD-CZ 4.36Å |
| 239 | T | 89.2 | Confident | 84 | Confident | 13 Ų | 13 | 52 Ų | 52 | 8% | 0.08 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 141.5 | 175.2 | -56.4 | 0 | 0 | 0 | 0 | 110.1 | L241 K244 H246 R247 H281 | T239-L241 HydrophobicContact CG2-CD2 4.23Å; T239-K244 HydrophobicContact CG2-CB 4.17Å; T239-K244 HydrophobicContact CG2-CG 4.01Å; T239-H246 WeakPolarHBondContact CA-O 3.35Å; T239-R247 HydrophobicContact CG2-CG 3.92Å; T239-H281 PolarHBondContact N-O 3.1Å; T239-H281 PolarHBondContact O-N 2.92Å |
| 240 | I | 88.5 | Confident | 85.5 | Confident | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 133.4 | 168.3 | -53.8 | -177.6 | 0 | 0 | 0 | 108.9 | L212 M238 E243 K244 H246 F267 L278 L280 | L212-I240 HydrophobicContact CD2-CD1 4.24Å; M238-I240 HydrophobicContact CE-CG1 4.39Å; I240-E243 CarbonylContact O-C 3.6Å; I240-E243 VanDerWaalsContact O-C 3.23Å; I240-E243 VanDerWaalsContact O-O 3.06Å; I240-K244 PolarHBondContact O-N 2.81Å; I240-H246 HydrophobicContact CB-CB 4.12Å; I240-H246 HydrophobicContact CD1-CB 3.95Å; I240-H246 HydrophobicContact CG1-CB 4.01Å; I240-H246 PolarHBondContact N-O 3.25Å; I240-F267 HydrophobicContact CD1-CB 4.07Å; I240-F267 HydrophobicContact CD1-CD1 3.66Å; I240-F267 HydrophobicContact CD1-CD2 3.97Å; I240-F267 HydrophobicContact CD1-CE1 4.02Å; I240-F267 HydrophobicContact CD1-CE2 4.32Å; I240-F267 HydrophobicContact CD1-CG 3.62Å; I240-F267 HydrophobicContact CD1-CZ 4.33Å; I240-F267 HydrophobicContact CG1-CE1 4.43Å; I240-L278 HydrophobicContact CG2-CB 4.35Å; I240-L278 HydrophobicContact CG2-CD1 4.13Å; I240-L278 HydrophobicContact CG2-CD2 4Å; I240-L278 HydrophobicContact CG2-CG 4.39Å; I240-L280 HydrophobicContact CG1-CD2 4Å |
| 241 | L | 83.6 | Confident | 86.3 | Confident | 41 Ų | 41 | 53.3 Ų | 53.3 | 22% | 0.215 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 150.1 | 174.8 | -58.3 | -179.1 | 0 | 0 | 0 | 110 | T239 K244 L278 T279 H281 | T239-L241 HydrophobicContact CG2-CD2 4.23Å; L241-K244 HydrophobicContact CD2-CD 4.25Å; L241-K244 HydrophobicContact CD2-CG 3.6Å; L241-L278 WeakPolarHBondContact O-CA 3.15Å; L241-L278 WeakPolarHBondContact O-CD2 3.2Å; L241-T279 WeakPolarHBondContact CB-O 3.25Å; L241-T279 PolarHBondContact N-O 3.03Å; L241-T279 PolarHBondContact O-N 3.4Å; L241-H281 HydrophobicContact CD1-CB 3.87Å; L241-H281 HydrophobicContact CG-CB 4.09Å |
| 242 | P | 70.7 | Confident | 86.8 | Confident | 101 Ų | 101 | 55.1 Ų | 55.1 | 66% | 0.656 | 26% | 0.256 | S | S | * | . | S | Bend | cis | -78.6 | -22.1 | 2.9 | 31.5 | -35.4 | 0 | 0 | 0 | 113.8 | K244 | P242-K244 PolarHBondContact O-N 3.1Š|
| 243 | E | 62.3 | Low | 87 | Confident | 98 Ų | 98 | 56.7 Ų | 56.7 | 46% | 0.458 | 26% | 0.264 | S | S | . | . | trans | -77.9 | 84.1 | -177.5 | -62.4 | -155 | 150.1 | 0 | 0 | 112.7 | I240 K245 | I240-E243 CarbonylContact O-C 3.6Å; I240-E243 VanDerWaalsContact O-C 3.23Å; I240-E243 VanDerWaalsContact O-O 3.06Å; E243-K245 HydrophobicContact CB-CD 4.33Å; E243-K245 HydrophobicContact CB-CG 4.41Å; E243-K245 PolarHBondContact O-N 2.81Å; E243-K245 IonicContact OE1-NZ 2.92Å; E243-K245 PolarHBondContact OE1-NZ 3.44Å; E243-K245 WeakPolarHBondContact OE2-CD 3.18Å; E243-K245 VanDerWaalsContact OE2-CE 3.29Å; E243-K245 WeakPolarHBondContact OE2-CE 3.27Å; E243-K245 IonicContact OE2-NZ 2.66Å; E243-K245 PolarHBondContact OE2-NZ 3.04Å | ||
| 244 | K | 65.9 | Low | 87 | Confident | 102 Ų | 102 | 63.7 Ų | 63.7 | 44% | 0.443 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 12.6 | 175.6 | -67.5 | -173.9 | 175.8 | -179.5 | 0 | 116 | T239 I240 L241 P242 R247 E327 | T239-K244 HydrophobicContact CG2-CB 4.17Å; T239-K244 HydrophobicContact CG2-CG 4.01Å; I240-K244 PolarHBondContact O-N 2.81Å; L241-K244 HydrophobicContact CD2-CD 4.25Å; L241-K244 HydrophobicContact CD2-CG 3.6Å; P242-K244 PolarHBondContact O-N 3.1Å; K244-R247 WeakPolarHBondContact O-CD 3.34Å; K244-R247 WeakPolarHBondContact O-CG 3.36Å; K244-E327 IonicContact NZ-OE1 2.68Å; K244-E327 PolarHBondContact NZ-OE1 3.08Å |
| 245 | K | 68.8 | Low | 86.8 | Confident | 149 Ų | 149 | 71.1 Ų | 71.1 | 65% | 0.648 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -43 | 170.5 | -57.5 | 172.4 | -170.7 | 162.5 | 0 | 111.4 | E243 R247 | E243-K245 HydrophobicContact CB-CD 4.33Å; E243-K245 HydrophobicContact CB-CG 4.41Å; E243-K245 PolarHBondContact O-N 2.81Å; E243-K245 IonicContact OE1-NZ 2.92Å; E243-K245 PolarHBondContact OE1-NZ 3.44Å; E243-K245 WeakPolarHBondContact OE2-CD 3.18Å; E243-K245 VanDerWaalsContact OE2-CE 3.29Å; E243-K245 WeakPolarHBondContact OE2-CE 3.27Å; E243-K245 IonicContact OE2-NZ 2.66Å; E243-K245 PolarHBondContact OE2-NZ 3.04Å; K245-R247 PolarHBondContact O-N 2.86Å |
| 246 | H | 76.4 | Confident | 86.7 | Confident | 62 Ų | 62 | 72.1 Ų | 72.1 | 29% | 0.287 | 33% | 0.329 | S | S | . | . | trans | -88.9 | 102.5 | -176.1 | -63.6 | -66.9 | 0 | 0 | 0 | 110.5 | T239 I240 F267 | T239-H246 WeakPolarHBondContact CA-O 3.35Å; I240-H246 HydrophobicContact CB-CB 4.12Å; I240-H246 HydrophobicContact CD1-CB 3.95Å; I240-H246 HydrophobicContact CG1-CB 4.01Å; I240-H246 PolarHBondContact N-O 3.25Å; H246-F267 HydrophobicContact CB-CD1 3.85Å; H246-F267 HydrophobicContact CB-CE1 4.02Å | ||
| 247 | R | 85.9 | Confident | 86.6 | Confident | 181 Ų | 181 | 74.5 Ų | 74.5 | 68% | 0.683 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 128.9 | -179.3 | -58.2 | 177 | 76.3 | -167.7 | 7.2 | 109.9 | M238 T239 K244 K245 | M238-R247 WeakPolarHBondContact O-CA 3.46Å; T239-R247 HydrophobicContact CG2-CG 3.92Å; K244-R247 WeakPolarHBondContact O-CD 3.34Å; K244-R247 WeakPolarHBondContact O-CG 3.36Å; K245-R247 PolarHBondContact O-N 2.86Å |
| 248 | V | 89.9 | Confident | 86.7 | Confident | 37 Ų | 37 | 75.8 Ų | 75.8 | 22% | 0.224 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 167.9 | 177.4 | -60.2 | 0 | 0 | 0 | 0 | 110.2 | M238 F265 F267 | M238-V248 HydrophobicContact CB-CG2 3.75Å; M238-V248 HydrophobicContact CG-CG2 4.22Å; M238-V248 PolarHBondContact N-O 3.13Å; M238-V248 PolarHBondContact O-N 2.68Å; M238-V248 HydrophobicContact SD-CG2 3.99Å; V248-F265 HydrophobicContact CB-CD1 3.75Å; V248-F265 HydrophobicContact CB-CE1 3.92Å; V248-F265 HydrophobicContact CB-CG 4.18Å; V248-F265 HydrophobicContact CB-CZ 4.5Å; V248-F265 HydrophobicContact CG1-CD1 4.03Å; V248-F265 HydrophobicContact CG1-CG 4.45Å; V248-F265 HydrophobicContact CG2-CB 4.18Å; V248-F265 HydrophobicContact CG2-CD1 3.67Å; V248-F265 HydrophobicContact CG2-CD2 3.8Å; V248-F265 HydrophobicContact CG2-CE1 3.96Å; V248-F265 HydrophobicContact CG2-CE2 4.08Å; V248-F265 HydrophobicContact CG2-CG 3.59Å; V248-F265 HydrophobicContact CG2-CZ 4.16Å; V248-F267 HydrophobicContact CG1-CE1 3.93Å; V248-F267 HydrophobicContact CG1-CZ 4.11Å; V248-F267 HydrophobicContact CG2-CE1 4.45Å; V248-F267 HydrophobicContact CG2-CZ 3.91Å |
| 249 | K | 93.3 | Very high | 86.8 | Confident | 117 Ų | 117 | 75.7 Ų | 75.7 | 51% | 0.509 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 144.7 | 177.4 | -52.1 | -177.4 | -178 | 175.2 | 0 | 109.1 | Y235 V236 K237 F265 | Y235-K249 HydrophobicContact CE2-CD 4.24Å; V236-K249 CarbonylContact O-C 3.47Å; V236-K249 VanDerWaalsContact O-CA 3.28Å; V236-K249 WeakPolarHBondContact O-CA 3.36Å; K237-K249 HydrophobicContact CG-CD 4.44Å; K237-K249 HydrophobicContact CG-CG 4.17Å; K249-F265 WeakPolarHBondContact O-CZ 3.2Å |
| 250 | T | 96.5 | Very high | 87.2 | Confident | 5 Ų | 5 | 81 Ų | 81 | 3% | 0.031 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -74.1 | 169.8 | 164.7 | 65.3 | 0 | 0 | 0 | 0 | 111 | V216 V236 F261 E263 F265 | V216-T250 HydrophobicContact CB-CG2 4.09Å; V216-T250 HydrophobicContact CG1-CG2 3.97Å; V216-T250 HydrophobicContact CG2-CG2 4.42Å; V236-T250 HydrophobicContact CB-CG2 4.04Å; V236-T250 PolarHBondContact N-OG1 2.97Å; V236-T250 PolarHBondContact O-N 2.86Å; T250-F261 HydrophobicContact CG2-CB 4.17Å; T250-F261 HydrophobicContact CG2-CD1 4.07Å; T250-F261 HydrophobicContact CG2-CD2 4.49Å; T250-F261 HydrophobicContact CG2-CG 4Å; T250-F261 WeakPolarHBondContact OG1-CE1 3.45Å; T250-E263 WeakPolarHBondContact CA-OE2 3.46Å; T250-E263 WeakPolarHBondContact CB-OE1 3.35Å; T250-E263 HydrophobicContact CG2-CB 4.46Å; T250-F265 HydrophobicContact CG2-CE2 4.23Å; T250-F265 HydrophobicContact CG2-CZ 4.18Å |
| 251 | R | 94.9 | Very high | 87.6 | Confident | 114 Ų | 114 | 80.9 Ų | 80.9 | 43% | 0.43 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 157.5 | 160.5 | 72.9 | -151.5 | 147.9 | 147.5 | -7.7 | 111.2 | Y235 L253 F261 E263 | Y235-R251 WeakPolarHBondContact CB-O 3.37Å; R251-L253 HydrophobicContact CG-CD2 3.95Å; R251-L253 HydrophobicContact CG-CG 4.38Å; R251-F261 PolarHBondContact NH2-O 2.85Å; R251-E263 VanDerWaalsContact CD-OE1 3.28Å; R251-E263 WeakPolarHBondContact CD-OE1 3.32Å; R251-E263 WeakPolarHBondContact CG-OE1 3.4Å; R251-E263 PolarHBondContact N-OE1 2.77Å; R251-E263 PolarHBondContact N-OE2 3.31Å; R251-E263 VanDerWaalsContact N-OE2 3.1Å; R251-E263 IonicContact NE-OE1 3.44Å; R251-E263 PolarHBondContact NE-OE1 2.79Å |
| 252 | V | 95.9 | Very high | 88.2 | Confident | 53 Ų | 53 | 82.4 Ų | 82.4 | 32% | 0.321 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -78.9 | 124.9 | 167 | -179.7 | 0 | 0 | 0 | 0 | 108.5 | D233 Y235 F287 | D233-V252 HydrophobicContact CB-CG1 4.1Å; Y235-V252 HydrophobicContact CD1-CG2 3.95Å; Y235-V252 HydrophobicContact CG-CG2 4.05Å; V252-F287 HydrophobicContact CG1-CB 3.72Å; V252-F287 HydrophobicContact CG1-CD1 4.16Å; V252-F287 HydrophobicContact CG1-CG 4.11Å; V252-F287 HydrophobicContact CG2-CB 3.95Å; V252-F287 HydrophobicContact CG2-CD2 4.38Å; V252-F287 HydrophobicContact CG2-CG 4.07Å |
| 253 | L | 95 | Very high | 89.4 | Confident | 37 Ų | 37 | 78.2 Ų | 78.2 | 19% | 0.194 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -100.1 | 143.9 | 166.4 | -60.9 | 178.6 | 0 | 0 | 0 | 108 | D233 P234 R251 T256 P259 I260 F261 | D233-L253 CarbonylContact C-O 3.38Å; D233-L253 WeakPolarHBondContact CA-O 3.47Å; P234-L253 VanDerWaalsContact CD-O 3.28Å; P234-L253 WeakPolarHBondContact CD-O 3.41Å; P234-L253 PolarHBondContact O-N 3.02Å; P234-L253 VanDerWaalsContact O-N 3.08Å; R251-L253 HydrophobicContact CG-CD2 3.95Å; R251-L253 HydrophobicContact CG-CG 4.38Å; L253-T256 HydrophobicContact CB-CG2 3.99Å; L253-P259 HydrophobicContact CB-CB 4.43Å; L253-P259 HydrophobicContact CD1-CB 3.78Å; L253-I260 VanDerWaalsContact CD1-O 3.26Å; L253-I260 WeakPolarHBondContact CD1-O 3.48Å; L253-F261 HydrophobicContact CD1-CD1 3.68Å; L253-F261 HydrophobicContact CD1-CE1 3.86Å; L253-F261 HydrophobicContact CD1-CG 4.38Å; L253-F261 HydrophobicContact CG-CD1 4.06Å; L253-F261 HydrophobicContact CG-CE1 4.01Å |
| 254 | R | 93.4 | Very high | 91 | Very high | 163 Ų | 163 | 74.1 Ų | 74.1 | 62% | 0.615 | 34% | 0.338 | S | S | * | . | trans | -108.3 | 142.8 | -170.2 | -56.3 | -155.8 | 75.1 | 173.4 | 5.9 | 112.4 | D233 T256 | D233-R254 WeakPolarHBondContact OD1-CA 3.34Å; D233-R254 WeakPolarHBondContact OD1-CB 3.42Å; D233-R254 IonicContact OD1-NE 3.6Å; D233-R254 IonicContact OD2-CZ 2.74Å; D233-R254 IonicContact OD2-NE 2.82Å; D233-R254 PolarHBondContact OD2-NE 2.9Å; D233-R254 IonicContact OD2-NH2 2.73Å; D233-R254 PolarHBondContact OD2-NH2 2.79Å; R254-T256 PolarHBondContact O-N 2.88Å | ||
| 255 | K | 91.6 | Very high | 92.4 | Very high | 155 Ų | 155 | 69.9 Ų | 69.9 | 67% | 0.674 | 32% | 0.32 | S | S | * | . | S | Bend | trans | 46.6 | 56.5 | 177.4 | -61.3 | -167.5 | 171 | -158.9 | 0 | 113.3 | S231 S232 D233 | S231-K255 VanDerWaalsContact OG-CA 3.29Å; S231-K255 WeakPolarHBondContact OG-CA 3.27Å; S232-K255 CarbonylContact O-C 3.57Å; S232-K255 VanDerWaalsContact O-CA 3.26Å; S232-K255 WeakPolarHBondContact O-CA 3.45Å; S232-K255 PolarHBondContact O-N 2.92Å; S232-K255 VanDerWaalsContact O-N 3.11Å; D233-K255 PolarHBondContact OD1-N 2.91Å |
| 256 | T | 94.5 | Very high | 93.7 | Very high | 36 Ų | 36 | 64.2 Ų | 64.2 | 22% | 0.221 | 30% | 0.298 | C | S | . | . | trans | -144.6 | 142.2 | 177.1 | -177.6 | 0 | 0 | 0 | 0 | 112.4 | S231 S232 P234 L253 R254 D258 P259 | S231-T256 PolarHBondContact OG-N 2.85Å; S232-T256 PolarHBondContact O-N 3.03Å; P234-T256 VanDerWaalsContact CD-O 3.26Å; P234-T256 WeakPolarHBondContact CD-O 3.46Å; P234-T256 HydrophobicContact CG-CG2 3.77Å; P234-T256 WeakPolarHBondContact CG-O 3.48Å; L253-T256 HydrophobicContact CB-CG2 3.99Å; R254-T256 PolarHBondContact O-N 2.88Å; T256-D258 PolarHBondContact OG1-N 3.24Å; T256-D258 VanDerWaalsContact OG1-N 3.14Å; T256-D258 PolarHBondContact OG1-O 2.92Å; T256-P259 HydrophobicContact CG2-CB 3.93Å | ||
| 257 | L | 94.5 | Very high | 94.4 | Very high | 50 Ų | 50 | 61.8 Ų | 61.8 | 26% | 0.262 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -103.2 | -8.9 | 172.2 | -55.7 | -174.7 | 0 | 0 | 0 | 112.2 | G221 L222 A224 P259 | G221-L257 PolarHBondContact N-O 3.13Å; L222-L257 WeakPolarHBondContact CB-O 3.49Å; L222-L257 WeakPolarHBondContact CG-O 3.17Å; L222-L257 PolarHBondContact N-O 2.95Å; L222-L257 WeakPolarHBondContact O-CB 3.24Å; L222-L257 WeakPolarHBondContact O-CD2 3.47Å; A224-L257 HydrophobicContact CB-CD1 4.45Å; A224-L257 HydrophobicContact CB-CD2 4.35Å; L257-P259 VanDerWaalsContact C-CD 3.41Å; L257-P259 WeakPolarHBondContact O-CD 3.14Å |
| 258 | D | 95.8 | Very high | 94.7 | Very high | 72 Ų | 72 | 57.7 Ų | 57.7 | 39% | 0.385 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -125.7 | 64.6 | 176.2 | -71.1 | -93.5 | 0 | 0 | 0 | 110.2 | A219 R220 G221 T256 I260 | A219-D258 CarbonylContact O-C 3.56Å; A219-D258 VanDerWaalsContact O-CA 3.31Å; A219-D258 WeakPolarHBondContact O-CA 3.43Å; R220-D258 WeakPolarHBondContact CA-OD1 3.33Å; R220-D258 VanDerWaalsContact CB-OD1 3.28Å; R220-D258 WeakPolarHBondContact CB-OD1 3.38Å; R220-D258 WeakPolarHBondContact CG-OD1 3.43Å; R220-D258 IonicContact NH1-OD1 3.62Å; R220-D258 PolarHBondContact NH1-OD1 3.39Å; G221-D258 PolarHBondContact N-OD1 3.34Å; T256-D258 PolarHBondContact OG1-N 3.24Å; T256-D258 VanDerWaalsContact OG1-N 3.14Å; T256-D258 PolarHBondContact OG1-O 2.92Å; D258-I260 PolarHBondContact O-N 3.06Å |
| 259 | P | 96.3 | Very high | 94.5 | Very high | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.006 | 30% | 0.295 | C | S | . | . | trans | -67.1 | 129.9 | -178.1 | 26.5 | -35.1 | 0 | 0 | 0 | 112.7 | G218 A219 L222 P234 L253 T256 L257 F261 | G218-P259 CarbonylContact C-O 3.12Å; G218-P259 WeakPolarHBondContact CA-O 3.4Å; A219-P259 HydrophobicContact CB-CG 3.9Å; A219-P259 PolarHBondContact N-O 3.07Å; A219-P259 WeakPolarHBondContact O-CD 3.44Å; L222-P259 HydrophobicContact CD1-CG 3.76Å; P234-P259 HydrophobicContact CB-CB 4.44Å; P234-P259 HydrophobicContact CB-CG 4.03Å; P234-P259 HydrophobicContact CG-CB 3.69Å; P234-P259 HydrophobicContact CG-CG 3.63Å; L253-P259 HydrophobicContact CB-CB 4.43Å; L253-P259 HydrophobicContact CD1-CB 3.78Å; T256-P259 HydrophobicContact CG2-CB 3.93Å; L257-P259 VanDerWaalsContact C-CD 3.41Å; L257-P259 WeakPolarHBondContact O-CD 3.14Å; P259-F261 HydrophobicContact CB-CD2 4.39Å; P259-F261 HydrophobicContact CB-CE1 4.01Å; P259-F261 HydrophobicContact CB-CE2 3.76Å; P259-F261 HydrophobicContact CB-CZ 3.54Å; P259-F261 HydrophobicContact CG-CE2 3.68Å; P259-F261 HydrophobicContact CG-CZ 3.71Å | ||
| 260 | I | 97.3 | Very high | 94.4 | Very high | 124 Ų | 124 | 54.2 Ų | 54.2 | 64% | 0.636 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 102 | 170.1 | -55.6 | 177.6 | 0 | 0 | 0 | 108.4 | V217 L253 D258 | V217-I260 CarbonylContact O-C 3.55Å; L253-I260 VanDerWaalsContact CD1-O 3.26Å; L253-I260 WeakPolarHBondContact CD1-O 3.48Å; D258-I260 PolarHBondContact O-N 3.06Å |
| 261 | F | 96.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | -43.5 | -177.4 | -61.8 | -68.6 | 0 | 0 | 0 | 112.7 | V216 V217 P234 V236 T250 R251 L253 P259 E263 | V216-F261 HydrophobicContact CG1-CB 4.2Å; V216-F261 HydrophobicContact CG1-CD2 3.81Å; V216-F261 HydrophobicContact CG1-CG 4.3Å; V217-F261 PolarHBondContact O-N 3.05Å; P234-F261 HydrophobicContact CB-CZ 4.44Å; V236-F261 HydrophobicContact CG2-CD2 4.26Å; V236-F261 HydrophobicContact CG2-CE2 3.6Å; V236-F261 HydrophobicContact CG2-CZ 3.94Å; T250-F261 HydrophobicContact CG2-CB 4.17Å; T250-F261 HydrophobicContact CG2-CD1 4.07Å; T250-F261 HydrophobicContact CG2-CD2 4.49Å; T250-F261 HydrophobicContact CG2-CG 4Å; T250-F261 WeakPolarHBondContact OG1-CE1 3.45Å; R251-F261 PolarHBondContact NH2-O 2.85Å; L253-F261 HydrophobicContact CD1-CD1 3.68Å; L253-F261 HydrophobicContact CD1-CE1 3.86Å; L253-F261 HydrophobicContact CD1-CG 4.38Å; L253-F261 HydrophobicContact CG-CD1 4.06Å; L253-F261 HydrophobicContact CG-CE1 4.01Å; P259-F261 HydrophobicContact CB-CD2 4.39Å; P259-F261 HydrophobicContact CB-CE1 4.01Å; P259-F261 HydrophobicContact CB-CE2 3.76Å; P259-F261 HydrophobicContact CB-CZ 3.54Å; P259-F261 HydrophobicContact CG-CE2 3.68Å; P259-F261 HydrophobicContact CG-CZ 3.71Å; F261-E263 PolarHBondContact O-N 2.84Å; F261-E263 VanDerWaalsContact O-N 3.12Å |
| 262 | D | 96.1 | Very high | 94 | Very high | 74 Ų | 74 | 54.4 Ų | 54.4 | 40% | 0.396 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 35.9 | 43.6 | -168.9 | -163.2 | 37.3 | 0 | 0 | 0 | 115.1 | T215 V216 V217 | T215-D262 WeakPolarHBondContact CG2-OD1 3.38Å; V216-D262 WeakPolarHBondContact O-CA 3.46Å; V216-D262 PolarHBondContact O-N 3.07Å; V216-D262 VanDerWaalsContact O-N 3.09Å; V217-D262 PolarHBondContact O-N 2.88Å |
| 263 | E | 96.7 | Very high | 93.9 | Very high | 13 Ų | 13 | 56.8 Ų | 56.8 | 6% | 0.061 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 122.4 | -177 | -86.8 | 172.9 | -107 | 0 | 0 | 111.4 | T215 V216 T250 R251 F261 F265 | T215-E263 CarbonylContact C-O 3.51Å; T215-E263 VanDerWaalsContact CA-O 3.32Å; T215-E263 WeakPolarHBondContact CA-O 3.32Å; V216-E263 PolarHBondContact N-O 2.93Å; V216-E263 PolarHBondContact O-N 3.15Å; T250-E263 WeakPolarHBondContact CA-OE2 3.46Å; T250-E263 WeakPolarHBondContact CB-OE1 3.35Å; T250-E263 HydrophobicContact CG2-CB 4.46Å; R251-E263 VanDerWaalsContact CD-OE1 3.28Å; R251-E263 WeakPolarHBondContact CD-OE1 3.32Å; R251-E263 WeakPolarHBondContact CG-OE1 3.4Å; R251-E263 PolarHBondContact N-OE1 2.77Å; R251-E263 PolarHBondContact N-OE2 3.31Å; R251-E263 VanDerWaalsContact N-OE2 3.1Å; R251-E263 IonicContact NE-OE1 3.44Å; R251-E263 PolarHBondContact NE-OE1 2.79Å; F261-E263 PolarHBondContact O-N 2.84Å; F261-E263 VanDerWaalsContact O-N 3.12Å; E263-F265 HydrophobicContact CB-CE2 4.06Å; E263-F265 HydrophobicContact CB-CZ 3.9Å |
| 264 | T | 96.3 | Very high | 93.6 | Very high | 12 Ų | 12 | 56.8 Ų | 56.8 | 7% | 0.074 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 116.9 | -176.2 | -56.8 | 0 | 0 | 0 | 0 | 111.8 | V213 T215 | V213-T264 HydrophobicContact CG1-CG2 3.53Å; T215-T264 PolarHBondContact OG1-OG1 2.65Å |
| 265 | F | 95.3 | Very high | 93.6 | Very high | 13 Ų | 13 | 49.3 Ų | 49.3 | 6% | 0.057 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 138.2 | 176.6 | -53.4 | -73.1 | 0 | 0 | 0 | 110.7 | V213 V214 V216 M238 V248 K249 T250 E263 F267 | V213-F265 WeakPolarHBondContact CA-O 3.34Å; V214-F265 PolarHBondContact N-O 3.48Å; V214-F265 PolarHBondContact O-N 2.82Å; V216-F265 HydrophobicContact CB-CE2 4.42Å; V216-F265 HydrophobicContact CG2-CD2 4.29Å; V216-F265 HydrophobicContact CG2-CE2 3.91Å; M238-F265 HydrophobicContact SD-CD2 4.27Å; V248-F265 HydrophobicContact CB-CD1 3.75Å; V248-F265 HydrophobicContact CB-CE1 3.92Å; V248-F265 HydrophobicContact CB-CG 4.18Å; V248-F265 HydrophobicContact CB-CZ 4.5Å; V248-F265 HydrophobicContact CG1-CD1 4.03Å; V248-F265 HydrophobicContact CG1-CG 4.45Å; V248-F265 HydrophobicContact CG2-CB 4.18Å; V248-F265 HydrophobicContact CG2-CD1 3.67Å; V248-F265 HydrophobicContact CG2-CD2 3.8Å; V248-F265 HydrophobicContact CG2-CE1 3.96Å; V248-F265 HydrophobicContact CG2-CE2 4.08Å; V248-F265 HydrophobicContact CG2-CG 3.59Å; V248-F265 HydrophobicContact CG2-CZ 4.16Å; K249-F265 WeakPolarHBondContact O-CZ 3.2Å; T250-F265 HydrophobicContact CG2-CE2 4.23Å; T250-F265 HydrophobicContact CG2-CZ 4.18Å; E263-F265 HydrophobicContact CB-CE2 4.06Å; E263-F265 HydrophobicContact CB-CZ 3.9Å; F265-F267 HydrophobicContact CB-CE2 3.65Å; F265-F267 HydrophobicContact CB-CZ 3.77Å |
| 266 | T | 94.8 | Very high | 93.6 | Very high | 30 Ų | 30 | 45 Ų | 45 | 18% | 0.184 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 119.3 | -178.8 | -59.4 | 0 | 0 | 0 | 0 | 110.8 | A211 V213 Y268 | A211-T266 HydrophobicContact CB-CG2 3.77Å; V213-T266 HydrophobicContact CG2-CG2 4.2Å; T266-Y268 HydrophobicContact CG2-CD2 4.08Å; T266-Y268 HydrophobicContact CG2-CE1 4.3Å; T266-Y268 HydrophobicContact CG2-CE2 3.59Å |
| 267 | F | 92.7 | Very high | 93.3 | Very high | 10 Ų | 10 | 49.5 Ų | 49.5 | 4% | 0.044 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 89.5 | -173.6 | -57.5 | -85.5 | 0 | 0 | 0 | 110.5 | A211 L212 V214 M238 I240 H246 V248 F265 V270 | A211-F267 VanDerWaalsContact CA-O 3.3Å; A211-F267 WeakPolarHBondContact CA-O 3.4Å; L212-F267 HydrophobicContact CB-CB 4.36Å; L212-F267 PolarHBondContact N-O 2.88Å; L212-F267 VanDerWaalsContact N-O 3.12Å; L212-F267 PolarHBondContact O-N 2.87Å; V214-F267 HydrophobicContact CB-CE2 4.33Å; V214-F267 HydrophobicContact CG2-CE2 4.32Å; M238-F267 HydrophobicContact CE-CE2 3.55Å; M238-F267 HydrophobicContact CE-CZ 3.68Å; M238-F267 HydrophobicContact SD-CE2 4.07Å; M238-F267 HydrophobicContact SD-CZ 3.86Å; I240-F267 HydrophobicContact CD1-CB 4.07Å; I240-F267 HydrophobicContact CD1-CD1 3.66Å; I240-F267 HydrophobicContact CD1-CD2 3.97Å; I240-F267 HydrophobicContact CD1-CE1 4.02Å; I240-F267 HydrophobicContact CD1-CE2 4.32Å; I240-F267 HydrophobicContact CD1-CG 3.62Å; I240-F267 HydrophobicContact CD1-CZ 4.33Å; I240-F267 HydrophobicContact CG1-CE1 4.43Å; H246-F267 HydrophobicContact CB-CD1 3.85Å; H246-F267 HydrophobicContact CB-CE1 4.02Å; V248-F267 HydrophobicContact CG1-CE1 3.93Å; V248-F267 HydrophobicContact CG1-CZ 4.11Å; V248-F267 HydrophobicContact CG2-CE1 4.45Å; V248-F267 HydrophobicContact CG2-CZ 3.91Å; F265-F267 HydrophobicContact CB-CE2 3.65Å; F265-F267 HydrophobicContact CB-CZ 3.77Å; F267-V270 HydrophobicContact CB-CG2 3.96Å |
| 268 | Y | 91.1 | Very high | 93.1 | Very high | 96 Ų | 96 | 48.2 Ų | 48.2 | 38% | 0.376 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 141.7 | 177.9 | -61.7 | -93.1 | 0 | 0 | 0 | 112.3 | M71 K209 A211 T266 V270 | M71-Y268 WeakPolarHBondContact CG-OH 3.37Å; K209-Y268 HydrophobicContact CB-CD1 4.33Å; K209-Y268 HydrophobicContact CB-CE1 4.06Å; K209-Y268 HydrophobicContact CD-CE1 4.17Å; K209-Y268 HydrophobicContact CG-CE1 4.44Å; A211-Y268 HydrophobicContact CB-CD1 3.93Å; A211-Y268 HydrophobicContact CB-CE1 4.38Å; A211-Y268 HydrophobicContact CB-CG 4.21Å; T266-Y268 HydrophobicContact CG2-CD2 4.08Å; T266-Y268 HydrophobicContact CG2-CE1 4.3Å; T266-Y268 HydrophobicContact CG2-CE2 3.59Å; Y268-V270 VanDerWaalsContact C-N 3.32Å |
| 269 | G | 86.8 | Confident | 92.9 | Very high | 69 Ų | 69 | 46.3 Ų | 46.3 | 71% | 0.711 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.6 | -7.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | K210 A271 | K210-G269 PolarHBondContact O-N 2.88Å; G269-A271 PolarHBondContact O-N 3.47Å |
| 270 | V | 89.9 | Confident | 92.8 | Very high | 12 Ų | 12 | 46.3 Ų | 46.3 | 7% | 0.073 | 28% | 0.275 | C | S | . | . | trans | -70.2 | 116.2 | 167.7 | 178.5 | 0 | 0 | 0 | 0 | 108.5 | Y205 L212 F267 Y268 L275 L278 | Y205-V270 WeakPolarHBondContact CE2-O 3.38Å; Y205-V270 PolarHBondContact OH-O 3.09Å; L212-V270 HydrophobicContact CB-CB 4.03Å; L212-V270 HydrophobicContact CB-CG1 3.96Å; L212-V270 HydrophobicContact CB-CG2 4.38Å; L212-V270 HydrophobicContact CD2-CG1 4.34Å; F267-V270 HydrophobicContact CB-CG2 3.96Å; Y268-V270 VanDerWaalsContact C-N 3.32Å; V270-L275 HydrophobicContact CG1-CD2 3.73Å; V270-L278 HydrophobicContact CG1-CD1 3.61Å | ||
| 271 | A | 91.4 | Very high | 92.6 | Very high | 43 Ų | 43 | 41.5 Ų | 41.5 | 36% | 0.355 | 25% | 0.25 | S | C | . | . | trans | -80.7 | 138.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | G269 S273 A274 | G269-A271 PolarHBondContact O-N 3.47Å; A271-S273 PolarHBondContact O-N 2.82Å; A271-A274 WeakPolarHBondContact O-CB 3.47Å; A271-A274 PolarHBondContact O-N 2.9Å | ||
| 272 | Y | 92.9 | Very high | 92.6 | Very high | 79 Ų | 79 | 41.5 Ų | 41.5 | 31% | 0.31 | 25% | 0.25 | S | C | . | . | G | 310 helix | trans | -51.6 | -42.2 | 177.8 | -172.6 | -97.2 | 0 | 0 | 0 | 113.2 | Y205 F207 A274 L275 D307 P308 | Y205-Y272 AromaticContact CD1-CD2 3.64Å; Y205-Y272 HydrophobicContact CD1-CD2 3.64Å; Y205-Y272 HydrophobicContact CD1-CE2 4.48Å; Y205-Y272 HydrophobicContact CD1-CG 4.45Å; Y205-Y272 HydrophobicContact CD2-CD2 4.26Å; Y205-Y272 AromaticContact CE1-CD2 3.92Å; Y205-Y272 HydrophobicContact CE1-CD2 3.92Å; Y205-Y272 HydrophobicContact CE1-CG 4.29Å; Y205-Y272 AromaticContact CG-CD2 3.83Å; Y205-Y272 HydrophobicContact CG-CD2 3.83Å; Y205-Y272 PolarHBondContact OH-N 2.91Å; Y205-Y272 VanDerWaalsContact OH-N 3.08Å; F207-Y272 HydrophobicContact CE1-CD1 4.38Å; F207-Y272 AromaticContact CE1-CD2 3.7Å; F207-Y272 HydrophobicContact CE1-CD2 3.7Å; F207-Y272 HydrophobicContact CE1-CE2 4.18Å; F207-Y272 AromaticContact CE1-CG 3.82Å; F207-Y272 HydrophobicContact CE1-CG 3.82Å; F207-Y272 AromaticContact CZ-CD2 3.75Å; F207-Y272 HydrophobicContact CZ-CD2 3.75Å; F207-Y272 AromaticContact CZ-CE2 3.79Å; F207-Y272 HydrophobicContact CZ-CE2 3.79Å; F207-Y272 HydrophobicContact CZ-CG 4.28Å; Y272-A274 PolarHBondContact O-N 3.38Å; Y272-L275 HydrophobicContact CD2-CD1 3.57Å; Y272-L275 HydrophobicContact CE2-CD1 3.86Å; Y272-L275 HydrophobicContact CG-CD1 4.25Å; Y272-L275 WeakPolarHBondContact O-CB 3.26Å; Y272-L275 VanDerWaalsContact O-CG 3.29Å; Y272-L275 WeakPolarHBondContact O-CG 3.19Å; Y272-L275 PolarHBondContact O-N 2.86Å; Y272-L275 VanDerWaalsContact O-N 3.13Å; Y272-D307 PolarHBondContact OH-OD1 2.86Å; Y272-P308 HydrophobicContact CE2-CG 4.22Å |
| 273 | S | 92.4 | Very high | 92.5 | Very high | 103 Ų | 103 | 39 Ų | 39 | 72% | 0.72 | 24% | 0.236 | S | C | * | . | G | 310 helix | trans | -65.4 | -18.1 | 179.1 | 54.7 | 0 | 0 | 0 | 0 | 114.5 | A271 | A271-S273 PolarHBondContact O-N 2.82Š|
| 274 | A | 90.3 | Very high | 92.4 | Very high | 37 Ų | 37 | 38.3 Ų | 38.3 | 31% | 0.306 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -90.8 | -13 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A271 Y272 P276 D277 L278 | A271-A274 WeakPolarHBondContact O-CB 3.47Å; A271-A274 PolarHBondContact O-N 2.9Å; Y272-A274 PolarHBondContact O-N 3.38Å; A274-P276 VanDerWaalsContact C-CD 3.41Å; A274-P276 VanDerWaalsContact C-N 3.33Å; A274-D277 PolarHBondContact O-N 2.84Å; A274-D277 VanDerWaalsContact O-N 3.07Å; A274-L278 WeakPolarHBondContact O-CG 3.35Å; A274-L278 PolarHBondContact O-N 2.9Å |
| 275 | L | 91.6 | Very high | 92.2 | Very high | 6 Ų | 6 | 38 Ų | 38 | 3% | 0.031 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -53 | -40.7 | -178.2 | -62.7 | 176.4 | 0 | 0 | 0 | 113.6 | Y205 L212 V270 Y272 D277 L278 L303 P308 | Y205-L275 HydrophobicContact CD2-CD1 3.93Å; Y205-L275 HydrophobicContact CE2-CD1 4.44Å; Y205-L275 HydrophobicContact CG-CD1 4.4Å; L212-L275 HydrophobicContact CB-CD2 4.37Å; L212-L275 HydrophobicContact CD1-CD2 3.83Å; L212-L275 HydrophobicContact CD2-CD2 4Å; L212-L275 HydrophobicContact CG-CD2 4.29Å; V270-L275 HydrophobicContact CG1-CD2 3.73Å; Y272-L275 HydrophobicContact CD2-CD1 3.57Å; Y272-L275 HydrophobicContact CE2-CD1 3.86Å; Y272-L275 HydrophobicContact CG-CD1 4.25Å; Y272-L275 WeakPolarHBondContact O-CB 3.26Å; Y272-L275 VanDerWaalsContact O-CG 3.29Å; Y272-L275 WeakPolarHBondContact O-CG 3.19Å; Y272-L275 PolarHBondContact O-N 2.86Å; Y272-L275 VanDerWaalsContact O-N 3.13Å; L275-D277 PolarHBondContact O-N 2.83Å; L275-D277 VanDerWaalsContact O-N 3.15Å; L275-L278 HydrophobicContact CD2-CD1 4.36Å; L275-L278 PolarHBondContact O-N 2.99Å; L275-L303 HydrophobicContact CD2-CD1 4.23Å; L275-L303 VanDerWaalsContact O-CB 3.24Å; L275-L303 WeakPolarHBondContact O-CB 3.43Å; L275-P308 HydrophobicContact CD1-CG 3.82Å |
| 276 | P | 91.9 | Very high | 92.1 | Very high | 65 Ų | 65 | 37.9 Ų | 37.9 | 42% | 0.422 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -63 | -20.8 | 179.8 | -24 | 36.1 | 0 | 0 | 0 | 115.2 | A274 K304 | A274-P276 VanDerWaalsContact C-CD 3.41Å; A274-P276 VanDerWaalsContact C-N 3.33Å; P276-K304 WeakPolarHBondContact O-CB 3.14Å |
| 277 | D | 88.6 | Confident | 91.9 | Very high | 130 Ų | 130 | 40 Ų | 40 | 70% | 0.695 | 24% | 0.239 | S | C | * | . | G | 310 helix | trans | -95.6 | -8.1 | 178.5 | -58.4 | -47.6 | 0 | 0 | 0 | 112.7 | A274 L275 | A274-D277 PolarHBondContact O-N 2.84Å; A274-D277 VanDerWaalsContact O-N 3.07Å; L275-D277 PolarHBondContact O-N 2.83Å; L275-D277 VanDerWaalsContact O-N 3.15Å |
| 278 | L | 90.9 | Very high | 91.5 | Very high | 24 Ų | 24 | 42.4 Ų | 42.4 | 13% | 0.126 | 25% | 0.252 | C | S | . | . | trans | -89.7 | 150.5 | 179.5 | -64.7 | -178 | 0 | 0 | 0 | 112.1 | I240 L241 V270 A274 L275 L303 | I240-L278 HydrophobicContact CG2-CB 4.35Å; I240-L278 HydrophobicContact CG2-CD1 4.13Å; I240-L278 HydrophobicContact CG2-CD2 4Å; I240-L278 HydrophobicContact CG2-CG 4.39Å; L241-L278 WeakPolarHBondContact O-CA 3.15Å; L241-L278 WeakPolarHBondContact O-CD2 3.2Å; V270-L278 HydrophobicContact CG1-CD1 3.61Å; A274-L278 WeakPolarHBondContact O-CG 3.35Å; A274-L278 PolarHBondContact O-N 2.9Å; L275-L278 HydrophobicContact CD2-CD1 4.36Å; L275-L278 PolarHBondContact O-N 2.99Å; L278-L303 HydrophobicContact CB-CD1 4.29Å; L278-L303 PolarHBondContact O-N 3.09Å | ||
| 279 | T | 92.1 | Very high | 91 | Very high | 32 Ų | 32 | 46.7 Ų | 46.7 | 20% | 0.196 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 131 | 175.3 | -67.7 | 0 | 0 | 0 | 0 | 109.6 | L241 V300 | L241-T279 WeakPolarHBondContact CB-O 3.25Å; L241-T279 PolarHBondContact N-O 3.03Å; L241-T279 PolarHBondContact O-N 3.4Å; T279-V300 HydrophobicContact CG2-CG1 3.4Å |
| 280 | L | 94.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 124.8 | 174.7 | -53 | -174.6 | 0 | 0 | 0 | 109 | L201 V203 L212 V214 M238 I240 F282 V301 L303 | L201-L280 HydrophobicContact CD1-CD1 4.4Å; V203-L280 HydrophobicContact CG2-CD1 4.2Å; L212-L280 HydrophobicContact CD2-CD2 4.42Å; V214-L280 HydrophobicContact CG1-CD1 4.04Å; V214-L280 HydrophobicContact CG2-CD1 3.81Å; M238-L280 HydrophobicContact CE-CD1 4.12Å; M238-L280 HydrophobicContact CE-CD2 3.74Å; M238-L280 HydrophobicContact CE-CG 4.35Å; I240-L280 HydrophobicContact CG1-CD2 4Å; L280-F282 HydrophobicContact CB-CD2 4.41Å; L280-F282 HydrophobicContact CB-CE2 3.55Å; L280-F282 HydrophobicContact CB-CZ 3.81Å; L280-F282 HydrophobicContact CD1-CE2 4.32Å; L280-F282 HydrophobicContact CD1-CZ 3.97Å; L280-V301 HydrophobicContact CB-CB 4.4Å; L280-V301 PolarHBondContact N-O 3.29Å; L280-V301 PolarHBondContact O-N 3.1Å; L280-L303 HydrophobicContact CD1-CD1 4.41Å; L280-L303 HydrophobicContact CD1-CD2 3.93Å; L280-L303 HydrophobicContact CD1-CG 4.43Å; L280-L303 HydrophobicContact CD2-CD1 3.99Å; L280-L303 HydrophobicContact CD2-CG 4.48Å; L280-L303 HydrophobicContact CG-CD1 4.06Å; L280-L303 HydrophobicContact CG-CD2 4.04Å; L280-L303 HydrophobicContact CG-CG 4.03Å |
| 281 | H | 93.1 | Very high | 89.7 | Confident | 23 Ų | 23 | 54.7 Ų | 54.7 | 11% | 0.106 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 121 | 175.7 | 176.9 | -133.1 | 0 | 0 | 0 | 109.4 | M238 T239 L241 E298 | M238-H281 CarbonylContact C-O 3.23Å; M238-H281 WeakPolarHBondContact CA-O 3.49Å; T239-H281 PolarHBondContact N-O 3.1Å; T239-H281 PolarHBondContact O-N 2.92Å; L241-H281 HydrophobicContact CD1-CB 3.87Å; L241-H281 HydrophobicContact CG-CB 4.09Å; H281-E298 IonicContact CD2-OE2 2.62Å; H281-E298 IonicContact CE1-OE2 3.7Å; H281-E298 IonicContact NE2-OE2 2.71Å; H281-E298 PolarHBondContact NE2-OE2 2.81Å |
| 282 | F | 94.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 118.4 | 177.8 | -56.8 | -85.7 | 0 | 0 | 0 | 108.7 | I199 L201 V214 V216 V236 M238 L280 E298 A299 V301 | I199-F282 HydrophobicContact CD1-CB 3.94Å; I199-F282 HydrophobicContact CD1-CD1 4.14Å; I199-F282 HydrophobicContact CD1-CG 4.05Å; L201-F282 HydrophobicContact CD1-CE2 4.23Å; L201-F282 HydrophobicContact CD1-CZ 3.99Å; L201-F282 HydrophobicContact CD2-CE2 3.9Å; L201-F282 HydrophobicContact CD2-CZ 4.14Å; L201-F282 HydrophobicContact CG-CZ 4.46Å; V214-F282 HydrophobicContact CG1-CZ 4.24Å; V216-F282 HydrophobicContact CG2-CD1 4.29Å; V216-F282 HydrophobicContact CG2-CE1 3.86Å; V236-F282 HydrophobicContact CG1-CB 3.88Å; V236-F282 HydrophobicContact CG1-CD1 3.95Å; V236-F282 HydrophobicContact CG1-CG 4.42Å; M238-F282 HydrophobicContact CB-CD1 3.86Å; M238-F282 HydrophobicContact CB-CE1 3.99Å; M238-F282 HydrophobicContact CE-CE1 4.36Å; M238-F282 HydrophobicContact CE-CZ 4.43Å; M238-F282 HydrophobicContact CG-CD1 3.84Å; M238-F282 HydrophobicContact CG-CE1 3.54Å; M238-F282 HydrophobicContact CG-CZ 4.3Å; M238-F282 HydrophobicContact SD-CE1 3.73Å; M238-F282 HydrophobicContact SD-CZ 4.36Å; L280-F282 HydrophobicContact CB-CD2 4.41Å; L280-F282 HydrophobicContact CB-CE2 3.55Å; L280-F282 HydrophobicContact CB-CZ 3.81Å; L280-F282 HydrophobicContact CD1-CE2 4.32Å; L280-F282 HydrophobicContact CD1-CZ 3.97Å; F282-E298 CarbonylContact O-C 3.52Å; F282-E298 WeakPolarHBondContact O-CA 3.39Å; F282-A299 HydrophobicContact CB-CB 4.33Å; F282-A299 PolarHBondContact N-O 2.95Å; F282-A299 PolarHBondContact O-N 2.86Å; F282-V301 HydrophobicContact CD2-CG2 4.38Å; F282-V301 HydrophobicContact CE2-CB 4.36Å; F282-V301 HydrophobicContact CE2-CG2 4.1Å |
| 283 | L | 93.9 | Very high | 88 | Confident | 21 Ų | 21 | 61 Ų | 61 | 11% | 0.11 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 117.2 | 173.8 | 177.3 | 66.8 | 0 | 0 | 0 | 108.2 | V236 K237 L285 V295 E298 R322 | V236-L283 CarbonylContact C-O 3.43Å; V236-L283 WeakPolarHBondContact CA-O 3.13Å; K237-L283 HydrophobicContact CB-CB 4.29Å; K237-L283 HydrophobicContact CD-CD2 4.29Å; K237-L283 PolarHBondContact N-O 3.1Å; K237-L283 PolarHBondContact O-N 3.08Å; L283-L285 HydrophobicContact CD2-CD1 4.19Å; L283-L285 HydrophobicContact CG-CD1 3.88Å; L283-L285 HydrophobicContact CG-CG 4.3Å; L283-L285 WeakPolarHBondContact O-CD1 3.14Å; L283-V295 HydrophobicContact CD1-CG1 3.65Å; L283-V295 HydrophobicContact CD1-CG2 4.3Å; L283-E298 HydrophobicContact CD1-CB 4.24Å; L283-R322 VanDerWaalsContact CD1-CD 3.45Å |
| 284 | V | 95.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 129.1 | -178.1 | -169.5 | 0 | 0 | 0 | 0 | 108.8 | L222 V236 I296 G297 I319 | L222-V284 HydrophobicContact CD1-CG1 4.3Å; L222-V284 HydrophobicContact CD2-CG1 4.19Å; V236-V284 HydrophobicContact CG2-CG2 4.31Å; V284-I296 HydrophobicContact CB-CB 4.43Å; V284-I296 HydrophobicContact CG1-CB 4.3Å; V284-I296 HydrophobicContact CG1-CD1 4.24Å; V284-I296 HydrophobicContact CG1-CG2 4.49Å; V284-I296 PolarHBondContact O-N 2.98Å; V284-G297 PolarHBondContact N-O 2.93Å; V284-G297 PolarHBondContact O-N 2.88Å; V284-I319 HydrophobicContact CG2-CD1 4.04Å; V284-I319 HydrophobicContact CG2-CG1 4.35Å |
| 285 | L | 93.2 | Very high | 87.4 | Confident | 4 Ų | 4 | 60.9 Ų | 60.9 | 2% | 0.021 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 152.4 | -179.2 | -53.8 | 99.4 | 0 | 0 | 0 | 111.9 | P234 Y235 K237 L283 D293 D294 V295 | P234-L285 CarbonylContact C-O 3.58Å; P234-L285 VanDerWaalsContact CA-O 3.26Å; P234-L285 WeakPolarHBondContact CA-O 3.42Å; Y235-L285 HydrophobicContact CD1-CB 4.28Å; Y235-L285 HydrophobicContact CE1-CB 4Å; Y235-L285 HydrophobicContact CE2-CD1 4.4Å; Y235-L285 PolarHBondContact N-O 2.84Å; Y235-L285 PolarHBondContact O-N 3.21Å; K237-L285 HydrophobicContact CB-CD1 4.43Å; K237-L285 HydrophobicContact CD-CD1 3.56Å; K237-L285 HydrophobicContact CG-CD1 3.73Å; L283-L285 HydrophobicContact CD2-CD1 4.19Å; L283-L285 HydrophobicContact CG-CD1 3.88Å; L283-L285 HydrophobicContact CG-CG 4.3Å; L283-L285 WeakPolarHBondContact O-CD1 3.14Å; L285-D293 HydrophobicContact CB-CB 4.28Å; L285-D293 HydrophobicContact CD2-CB 3.76Å; L285-D294 CarbonylContact C-O 3.6Å; L285-D294 WeakPolarHBondContact CA-O 3.32Å; L285-D294 VanDerWaalsContact CB-O 3.23Å; L285-D294 WeakPolarHBondContact CB-O 3.45Å; L285-V295 HydrophobicContact CD2-CG2 3.8Å; L285-V295 HydrophobicContact CG-CG2 4.32Å |
| 286 | S | 91.8 | Very high | 87.4 | Confident | 11 Ų | 11 | 61.2 Ų | 61.2 | 8% | 0.077 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 136.4 | 159.8 | -165 | 0 | 0 | 0 | 0 | 109.3 | D233 D293 D294 | D233-S286 PolarHBondContact N-OG 3.07Å; S286-D293 CarbonylContact O-C 3.6Å; S286-D293 VanDerWaalsContact O-CA 3.27Å; S286-D293 WeakPolarHBondContact O-CA 3.44Å; S286-D293 WeakPolarHBondContact O-CB 3.38Å; S286-D294 PolarHBondContact N-O 2.96Å; S286-D294 PolarHBondContact O-N 3.1Å; S286-D294 VanDerWaalsContact O-N 3.12Å |
| 287 | F | 90.5 | Very high | 87.3 | Confident | 76 Ų | 76 | 58.1 Ų | 58.1 | 33% | 0.333 | 28% | 0.283 | S | S | . | . | trans | -85.6 | 128.2 | 176.9 | 168.9 | -100.4 | 0 | 0 | 0 | 111.6 | D233 Y235 V252 D293 | D233-F287 HydrophobicContact CB-CB 4.17Å; D233-F287 PolarHBondContact O-N 2.92Å; Y235-F287 HydrophobicContact CD1-CB 4.1Å; Y235-F287 HydrophobicContact CE1-CB 4.13Å; V252-F287 HydrophobicContact CG1-CB 3.72Å; V252-F287 HydrophobicContact CG1-CD1 4.16Å; V252-F287 HydrophobicContact CG1-CG 4.11Å; V252-F287 HydrophobicContact CG2-CB 3.95Å; V252-F287 HydrophobicContact CG2-CD2 4.38Å; V252-F287 HydrophobicContact CG2-CG 4.07Å; F287-D293 WeakPolarHBondContact CD2-OD1 3.37Å | ||
| 288 | D | 83.8 | Confident | 87.5 | Confident | 59 Ų | 59 | 52.9 Ų | 52.9 | 32% | 0.316 | 25% | 0.254 | S | S | . | . | trans | -111.7 | 143.5 | 171.2 | -163.6 | -57.8 | 0 | 0 | 0 | 111 | F290 A291 | D288-F290 WeakPolarHBondContact OD1-CA 3.4Å; D288-F290 PolarHBondContact OD1-N 3.12Å; D288-A291 HydrophobicContact CB-CB 4.05Å; D288-A291 PolarHBondContact OD1-N 2.72Å | ||
| 289 | R | 82.6 | Confident | 87.6 | Confident | 187 Ų | 187 | 51.8 Ų | 51.8 | 71% | 0.706 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -85.6 | -23.7 | -179.6 | -177.8 | 176 | -178.6 | -167.9 | 2.2 | 113.9 | ||
| 290 | F | 75.9 | Confident | 87.7 | Confident | 177 Ų | 177 | 53.3 Ų | 53.3 | 78% | 0.776 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -126.6 | -24.2 | -168.6 | -55.2 | -64.7 | 0 | 0 | 0 | 113.1 | D288 | D288-F290 WeakPolarHBondContact OD1-CA 3.4Å; D288-F290 PolarHBondContact OD1-N 3.12Å |
| 291 | A | 72.8 | Confident | 87.7 | Confident | 71 Ų | 71 | 53.8 Ų | 53.8 | 59% | 0.587 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -102.5 | -150.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | D288 | D288-A291 HydrophobicContact CB-CB 4.05Å; D288-A291 PolarHBondContact OD1-N 2.72Å |
| 292 | R | 68.9 | Low | 87.7 | Confident | 206 Ų | 206 | 56 Ų | 56 | 78% | 0.777 | 28% | 0.277 | S | S | * | . | P | Polyproline II helix | trans | -101.4 | 151.3 | 166 | -69.6 | 179.8 | 173.8 | 178.4 | -1.3 | 108.2 | D294 | R292-D294 PolarHBondContact O-N 2.86Š|
| 293 | D | 80.3 | Confident | 87.7 | Confident | 49 Ų | 49 | 56.2 Ų | 56.2 | 26% | 0.262 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 126.6 | 170.2 | -52.9 | -34.4 | 0 | 0 | 0 | 111.2 | Y235 K237 L285 S286 F287 | Y235-D293 HydrophobicContact CE1-CB 4.42Å; Y235-D293 PolarHBondContact OH-OD2 2.89Å; K237-D293 IonicContact NZ-OD2 2.96Å; K237-D293 PolarHBondContact NZ-OD2 3.3Å; L285-D293 HydrophobicContact CB-CB 4.28Å; L285-D293 HydrophobicContact CD2-CB 3.76Å; S286-D293 CarbonylContact O-C 3.6Å; S286-D293 VanDerWaalsContact O-CA 3.27Å; S286-D293 WeakPolarHBondContact O-CA 3.44Å; S286-D293 WeakPolarHBondContact O-CB 3.38Å; F287-D293 WeakPolarHBondContact CD2-OD1 3.37Å |
| 294 | D | 81.8 | Confident | 87.5 | Confident | 77 Ų | 77 | 63.1 Ų | 63.1 | 41% | 0.412 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 135.1 | 175.9 | -72.4 | -60.4 | 0 | 0 | 0 | 111.5 | V225 L285 S286 R292 I296 | V225-D294 HydrophobicContact CG1-CB 3.79Å; V225-D294 WeakPolarHBondContact CG1-OD2 3.18Å; L285-D294 CarbonylContact C-O 3.6Å; L285-D294 WeakPolarHBondContact CA-O 3.32Å; L285-D294 VanDerWaalsContact CB-O 3.23Å; L285-D294 WeakPolarHBondContact CB-O 3.45Å; S286-D294 PolarHBondContact N-O 2.96Å; S286-D294 PolarHBondContact O-N 3.1Å; S286-D294 VanDerWaalsContact O-N 3.12Å; R292-D294 PolarHBondContact O-N 2.86Å; D294-I296 PolarHBondContact O-N 3.12Å |
| 295 | V | 87.6 | Confident | 87.1 | Confident | 61 Ų | 61 | 67 Ų | 67 | 37% | 0.37 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 111 | 175.1 | 174.5 | 0 | 0 | 0 | 0 | 109.2 | L283 L285 R322 | L283-V295 HydrophobicContact CD1-CG1 3.65Å; L283-V295 HydrophobicContact CD1-CG2 4.3Å; L285-V295 HydrophobicContact CD2-CG2 3.8Å; L285-V295 HydrophobicContact CG-CG2 4.32Å; V295-R322 HydrophobicContact CG1-CB 3.83Å; V295-R322 HydrophobicContact CG1-CG 4.42Å |
| 296 | I | 90.4 | Very high | 87 | Confident | 13 Ų | 13 | 68 Ų | 68 | 7% | 0.067 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | -47.5 | 173 | -65.8 | 170.8 | 0 | 0 | 0 | 109.2 | L196 L222 P223 V225 V284 D294 | L196-I296 WeakPolarHBondContact CD1-O 3.48Å; L222-I296 HydrophobicContact CD1-CD1 4.32Å; L222-I296 HydrophobicContact CD2-CG2 4.23Å; P223-I296 HydrophobicContact CG-CG2 3.69Å; V225-I296 HydrophobicContact CG2-CD1 4.45Å; V225-I296 HydrophobicContact CG2-CG1 3.93Å; V284-I296 HydrophobicContact CB-CB 4.43Å; V284-I296 HydrophobicContact CG1-CB 4.3Å; V284-I296 HydrophobicContact CG1-CD1 4.24Å; V284-I296 HydrophobicContact CG1-CG2 4.49Å; V284-I296 PolarHBondContact O-N 2.98Å; D294-I296 PolarHBondContact O-N 3.12Å |
| 297 | G | 90.7 | Very high | 86.8 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 173.6 | -172.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V284 T320 | V284-G297 PolarHBondContact N-O 2.93Å; V284-G297 PolarHBondContact O-N 2.88Å; G297-T320 CarbonylContact C-O 3.5Å; G297-T320 VanDerWaalsContact CA-O 3.29Å; G297-T320 WeakPolarHBondContact CA-O 3.1Å |
| 298 | E | 92.7 | Very high | 86.8 | Confident | 19 Ų | 19 | 67.5 Ų | 67.5 | 9% | 0.089 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 156.7 | 175.5 | 71.1 | -165 | 161.3 | 0 | 0 | 112.5 | H281 F282 L283 T320 R322 N323 | H281-E298 IonicContact CD2-OE2 2.62Å; H281-E298 IonicContact CE1-OE2 3.7Å; H281-E298 IonicContact NE2-OE2 2.71Å; H281-E298 PolarHBondContact NE2-OE2 2.81Å; F282-E298 CarbonylContact O-C 3.52Å; F282-E298 WeakPolarHBondContact O-CA 3.39Å; L283-E298 HydrophobicContact CD1-CB 4.24Å; E298-T320 PolarHBondContact N-O 3.08Å; E298-T320 PolarHBondContact O-N 3.5Å; E298-T320 PolarHBondContact O-OG1 2.75Å; E298-R322 HydrophobicContact CB-CB 4.42Å; E298-R322 HydrophobicContact CG-CB 4.1Å; E298-R322 HydrophobicContact CG-CG 4.4Å; E298-R322 WeakPolarHBondContact OE1-CA 3.47Å; E298-R322 WeakPolarHBondContact OE1-CG 3.4Å; E298-R322 IonicContact OE2-CZ 3.66Å; E298-R322 IonicContact OE2-NE 2.65Å; E298-R322 PolarHBondContact OE2-NE 2.68Å; E298-R322 IonicContact OE2-NH2 3.8Å; E298-N323 PolarHBondContact OE1-N 2.87Å |
| 299 | A | 94 | Very high | 86.9 | Confident | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.008 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 134.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | I199 F282 Q317 | I199-A299 HydrophobicContact CG2-CB 3.49Å; I199-A299 VanDerWaalsContact CG2-CB 3.49Å; F282-A299 HydrophobicContact CB-CB 4.33Å; F282-A299 PolarHBondContact N-O 2.95Å; F282-A299 PolarHBondContact O-N 2.86Å; A299-Q317 HydrophobicContact CB-CB 4.38Å; A299-Q317 HydrophobicContact CB-CG 3.77Å |
| 300 | V | 92.9 | Very high | 86.8 | Confident | 65 Ų | 65 | 64.2 Ų | 64.2 | 39% | 0.394 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 119.4 | -176.5 | -178.5 | 0 | 0 | 0 | 0 | 107.9 | T279 | T279-V300 HydrophobicContact CG2-CG1 3.4Å |
| 301 | V | 94.5 | Very high | 87.1 | Confident | 10 Ų | 10 | 57.2 Ų | 57.2 | 6% | 0.061 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 96.7 | -176 | -178.3 | 0 | 0 | 0 | 0 | 108.9 | L201 L280 F282 L315 Q317 | L201-V301 HydrophobicContact CD2-CG2 4.24Å; L280-V301 HydrophobicContact CB-CB 4.4Å; L280-V301 PolarHBondContact N-O 3.29Å; L280-V301 PolarHBondContact O-N 3.1Å; F282-V301 HydrophobicContact CD2-CG2 4.38Å; F282-V301 HydrophobicContact CE2-CB 4.36Å; F282-V301 HydrophobicContact CE2-CG2 4.1Å; V301-L315 HydrophobicContact CG1-CD1 3.85Å; V301-Q317 HydrophobicContact CG2-CB 3.77Å; V301-Q317 HydrophobicContact CG2-CG 3.79Å |
| 302 | P | 93.9 | Very high | 87.9 | Confident | 70 Ų | 70 | 58 Ų | 58 | 46% | 0.455 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 138.2 | 169.8 | -21.2 | 33.8 | 0 | 0 | 0 | 110.4 | K304 | P302-K304 VanDerWaalsContact C-N 3.29Å |
| 303 | L | 93.2 | Very high | 89.2 | Confident | 3 Ų | 3 | 50.3 Ų | 50.3 | 2% | 0.016 | 30% | 0.299 | C | S | . | . | trans | -88 | 0.5 | 174.5 | -65.9 | -178 | 0 | 0 | 0 | 112.7 | V203 L212 L275 L278 L280 G305 V306 | V203-L303 HydrophobicContact CG1-CD2 4.23Å; V203-L303 HydrophobicContact CG2-CD2 4.07Å; L212-L303 HydrophobicContact CD1-CD1 4.41Å; L212-L303 HydrophobicContact CD2-CD1 3.85Å; L275-L303 HydrophobicContact CD2-CD1 4.23Å; L275-L303 VanDerWaalsContact O-CB 3.24Å; L275-L303 WeakPolarHBondContact O-CB 3.43Å; L278-L303 HydrophobicContact CB-CD1 4.29Å; L278-L303 PolarHBondContact O-N 3.09Å; L280-L303 HydrophobicContact CD1-CD1 4.41Å; L280-L303 HydrophobicContact CD1-CD2 3.93Å; L280-L303 HydrophobicContact CD1-CG 4.43Å; L280-L303 HydrophobicContact CD2-CD1 3.99Å; L280-L303 HydrophobicContact CD2-CG 4.48Å; L280-L303 HydrophobicContact CG-CD1 4.06Å; L280-L303 HydrophobicContact CG-CD2 4.04Å; L280-L303 HydrophobicContact CG-CG 4.03Å; L303-G305 PolarHBondContact O-N 2.95Å; L303-V306 HydrophobicContact CD2-CB 4.36Å; L303-V306 HydrophobicContact CD2-CG1 4.48Å; L303-V306 HydrophobicContact CD2-CG2 4.24Å; L303-V306 WeakPolarHBondContact O-CB 3.2Å; L303-V306 PolarHBondContact O-N 3.46Å | ||
| 304 | K | 91.3 | Very high | 89.9 | Confident | 167 Ų | 167 | 54 Ų | 54 | 73% | 0.726 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | 114 | 171.8 | -170.4 | 171.3 | 179.8 | 173.2 | 0 | 111.2 | P276 P302 V306 | P276-K304 WeakPolarHBondContact O-CB 3.14Å; P302-K304 VanDerWaalsContact C-N 3.29Å; K304-V306 VanDerWaalsContact C-N 3.33Å |
| 305 | G | 86.3 | Confident | 90.5 | Very high | 80 Ų | 80 | 52.6 Ų | 52.6 | 83% | 0.825 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.3 | 1.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | L303 | L303-G305 PolarHBondContact O-N 2.95Š|
| 306 | V | 90.3 | Very high | 90.9 | Very high | 27 Ų | 27 | 53.5 Ų | 53.5 | 16% | 0.164 | 32% | 0.316 | C | S | . | . | trans | -83.7 | 121.2 | 166.1 | -177.1 | 0 | 0 | 0 | 0 | 107.7 | V203 L303 K304 P308 V313 L315 | V203-V306 HydrophobicContact CB-CG1 4.37Å; L303-V306 HydrophobicContact CD2-CB 4.36Å; L303-V306 HydrophobicContact CD2-CG1 4.48Å; L303-V306 HydrophobicContact CD2-CG2 4.24Å; L303-V306 WeakPolarHBondContact O-CB 3.2Å; L303-V306 PolarHBondContact O-N 3.46Å; K304-V306 VanDerWaalsContact C-N 3.33Å; V306-P308 WeakPolarHBondContact O-CD 3.36Å; V306-V313 HydrophobicContact CG1-CB 4.22Å; V306-V313 HydrophobicContact CG1-CG1 4.18Å; V306-V313 HydrophobicContact CG1-CG2 4.31Å; V306-L315 HydrophobicContact CG1-CD1 4.34Å; V306-L315 HydrophobicContact CG2-CD1 4.03Å | ||
| 307 | D | 89.4 | Confident | 91.1 | Very high | 74 Ų | 74 | 56 Ų | 56 | 40% | 0.396 | 33% | 0.327 | S | S | . | . | trans | -106.8 | 92.2 | 175.5 | 179.1 | 7.8 | 0 | 0 | 0 | 111 | Y272 S309 V313 | Y272-D307 PolarHBondContact OH-OD1 2.86Å; D307-S309 PolarHBondContact O-N 2.94Å; D307-S309 WeakPolarHBondContact OD1-CB 3.35Å; D307-S309 PolarHBondContact OD1-N 2.78Å; D307-S309 PolarHBondContact OD1-OG 2.86Å; D307-S309 PolarHBondContact OD2-OG 2.73Å; D307-V313 WeakPolarHBondContact O-CG2 3.22Å | ||
| 308 | P | 89.2 | Confident | 91.3 | Very high | 2 Ų | 2 | 61.2 Ų | 61.2 | 1% | 0.013 | 35% | 0.352 | C | S | . | . | trans | -85.2 | 17.6 | 175.1 | 37.1 | -36.9 | 0 | 0 | 0 | 113.1 | V203 Y205 Y272 L275 V306 | V203-P308 HydrophobicContact CG1-CB 4.2Å; V203-P308 HydrophobicContact CG1-CG 4.47Å; Y205-P308 PolarHBondContact N-O 3.38Å; Y272-P308 HydrophobicContact CE2-CG 4.22Å; L275-P308 HydrophobicContact CD1-CG 3.82Å; V306-P308 WeakPolarHBondContact O-CD 3.36Å | ||
| 309 | S | 85.4 | Confident | 91.4 | Very high | 49 Ų | 49 | 60.7 Ų | 60.7 | 34% | 0.343 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -78.3 | -33 | -177.6 | 70.4 | 0 | 0 | 0 | 0 | 114.1 | D307 | D307-S309 PolarHBondContact O-N 2.94Å; D307-S309 WeakPolarHBondContact OD1-CB 3.35Å; D307-S309 PolarHBondContact OD1-N 2.78Å; D307-S309 PolarHBondContact OD1-OG 2.86Å; D307-S309 PolarHBondContact OD2-OG 2.73Å |
| 310 | T | 80.3 | Confident | 91.3 | Very high | 128 Ų | 128 | 64.3 Ų | 64.3 | 79% | 0.785 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -90.8 | -11.8 | -177.6 | 52.8 | 0 | 0 | 0 | 0 | 113.2 | ||
| 311 | G | 83.6 | Confident | 90.9 | Very high | 29 Ų | 29 | 68 Ų | 68 | 30% | 0.299 | 38% | 0.382 | S | S | . | . | S | Bend | trans | 154.4 | -162.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | V313 | G311-V313 PolarHBondContact O-N 2.94Š|
| 312 | R | 90 | Very high | 90 | Very high | 89 Ų | 89 | 70 Ų | 70 | 34% | 0.336 | 39% | 0.388 | S | S | . | . | trans | -73.3 | 104.1 | -178.3 | 177.8 | 179.9 | -75.5 | -123.5 | -10.1 | 111.5 | S202 V203 D204 T215 H314 | S202-R312 VanDerWaalsContact CB-CG 3.49Å; S202-R312 WeakPolarHBondContact OG-CD 3.3Å; S202-R312 WeakPolarHBondContact OG-CG 3.09Å; S202-R312 PolarHBondContact OG-NH1 2.68Å; S202-R312 VanDerWaalsContact OG-NH1 3.09Å; V203-R312 CarbonylContact O-C 3.58Å; V203-R312 WeakPolarHBondContact O-CA 3.39Å; D204-R312 HydrophobicContact CB-CB 4.46Å; T215-R312 PolarHBondContact OG1-NH1 2.81Å; T215-R312 VanDerWaalsContact OG1-NH1 3.08Å; T215-R312 PolarHBondContact OG1-NH2 2.91Å; T215-R312 VanDerWaalsContact OG1-NH2 3.1Å; R312-H314 WeakPolarHBondContact CD-NE2 3.44Å | ||
| 313 | V | 94.9 | Very high | 88.3 | Confident | 43 Ų | 43 | 70.2 Ų | 70.2 | 26% | 0.261 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 122.6 | 171.7 | -175.6 | 0 | 0 | 0 | 0 | 109.5 | S202 V203 V306 D307 G311 L315 | S202-V313 CarbonylContact C-O 3.29Å; S202-V313 WeakPolarHBondContact CA-O 3.4Å; S202-V313 WeakPolarHBondContact CB-O 3.28Å; V203-V313 PolarHBondContact N-O 2.78Å; V203-V313 PolarHBondContact O-N 3.18Å; V306-V313 HydrophobicContact CG1-CB 4.22Å; V306-V313 HydrophobicContact CG1-CG1 4.18Å; V306-V313 HydrophobicContact CG1-CG2 4.31Å; D307-V313 WeakPolarHBondContact O-CG2 3.22Å; G311-V313 PolarHBondContact O-N 2.94Å; V313-L315 HydrophobicContact CG1-CD2 3.97Å; V313-L315 HydrophobicContact CG1-CG 4.21Å |
| 314 | H | 95.3 | Very high | 86.3 | Confident | 127 Ų | 127 | 76.5 Ų | 76.5 | 59% | 0.588 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 134.1 | 173.4 | -76.2 | -97 | 0 | 0 | 0 | 110.9 | R312 | R312-H314 WeakPolarHBondContact CD-NE2 3.44Å |
| 315 | L | 94.8 | Very high | 84.2 | Confident | 48 Ų | 48 | 75.8 Ų | 75.8 | 25% | 0.251 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 142.2 | -179.1 | -59.3 | 172.4 | 0 | 0 | 0 | 109.7 | L201 V203 V301 V306 V313 | L201-L315 HydrophobicContact CD1-CB 4.26Å; L201-L315 HydrophobicContact CD1-CD1 4.27Å; L201-L315 HydrophobicContact CG-CB 4.1Å; L201-L315 PolarHBondContact N-O 2.86Å; L201-L315 PolarHBondContact O-N 2.81Å; L201-L315 VanDerWaalsContact O-O 3.06Å; V203-L315 HydrophobicContact CG2-CD1 3.99Å; V301-L315 HydrophobicContact CG1-CD1 3.85Å; V306-L315 HydrophobicContact CG1-CD1 4.34Å; V306-L315 HydrophobicContact CG2-CD1 4.03Å; V313-L315 HydrophobicContact CG1-CD2 3.97Å; V313-L315 HydrophobicContact CG1-CG 4.21Å |
| 316 | S | 95.3 | Very high | 82.1 | Confident | 80 Ų | 80 | 76.8 Ų | 76.8 | 56% | 0.559 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 133.7 | 170.7 | -178.8 | 0 | 0 | 0 | 0 | 108.7 | I199 | I199-S316 WeakPolarHBondContact O-CA 3.46Å |
| 317 | Q | 95.1 | Very high | 80.3 | Confident | 65 Ų | 65 | 79.7 Ų | 79.7 | 30% | 0.304 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 132.8 | -175.5 | 179.2 | 55 | 55.2 | 0 | 0 | 109.7 | S198 I199 A299 V301 | S198-Q317 CarbonylContact C-O 3.48Å; S198-Q317 WeakPolarHBondContact CA-O 3.49Å; I199-Q317 HydrophobicContact CG2-CB 4.22Å; I199-Q317 PolarHBondContact N-O 2.84Å; I199-Q317 PolarHBondContact O-N 2.87Å; A299-Q317 HydrophobicContact CB-CB 4.38Å; A299-Q317 HydrophobicContact CB-CG 3.77Å; V301-Q317 HydrophobicContact CG2-CB 3.77Å; V301-Q317 HydrophobicContact CG2-CG 3.79Å |
| 318 | Q | 95.4 | Very high | 79 | Confident | 110 Ų | 110 | 79.2 Ų | 79.2 | 51% | 0.514 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 137.3 | 172.6 | -64.6 | -63.4 | -5.7 | 0 | 0 | 110.2 | G197 | G197-Q318 PolarHBondContact O-OE1 2.86Å |
| 319 | I | 94.9 | Very high | 78.6 | Confident | 8 Ų | 8 | 81.9 Ų | 81.9 | 4% | 0.041 | 43% | 0.434 | C | S | . | . | P | Polyproline II helix | trans | -81.2 | 122.3 | 175.2 | -62.1 | 165.8 | 0 | 0 | 0 | 107.2 | L196 G197 I199 A219 L222 V284 | L196-I319 HydrophobicContact CB-CB 4.16Å; L196-I319 HydrophobicContact CB-CG2 3.9Å; L196-I319 HydrophobicContact CD1-CG2 4.48Å; G197-I319 WeakPolarHBondContact O-CB 3.28Å; G197-I319 PolarHBondContact O-N 3.16Å; I199-I319 HydrophobicContact CB-CD1 4.39Å; I199-I319 HydrophobicContact CB-CG1 4.31Å; I199-I319 HydrophobicContact CG2-CG1 4.27Å; A219-I319 HydrophobicContact CB-CD1 4.44Å; L222-I319 HydrophobicContact CD2-CD1 3.4Å; L222-I319 VanDerWaalsContact CD2-CD1 3.4Å; V284-I319 HydrophobicContact CG2-CD1 4.04Å; V284-I319 HydrophobicContact CG2-CG1 4.35Å |
| 320 | T | 90.8 | Very high | 78.7 | Confident | 76 Ų | 76 | 79.6 Ų | 79.6 | 47% | 0.466 | 42% | 0.417 | S | S | . | . | B | Isolated β-bridge | trans | -101.5 | 155.3 | 177.1 | 61.3 | 0 | 0 | 0 | 0 | 110.5 | G297 E298 R322 | G297-T320 CarbonylContact C-O 3.5Å; G297-T320 VanDerWaalsContact CA-O 3.29Å; G297-T320 WeakPolarHBondContact CA-O 3.1Å; E298-T320 PolarHBondContact N-O 3.08Å; E298-T320 PolarHBondContact O-N 3.5Å; E298-T320 PolarHBondContact O-OG1 2.75Å; T320-R322 PolarHBondContact O-N 2.93Å; T320-R322 VanDerWaalsContact O-N 3.17Å |
| 321 | K | 85.1 | Confident | 79.3 | Confident | 144 Ų | 144 | 75 Ų | 75 | 63% | 0.626 | 39% | 0.387 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 118.2 | 176.4 | -169.7 | 174.1 | -173.6 | 171.1 | 0 | 108.4 | L196 N323 | L196-K321 VanDerWaalsContact CD1-CA 3.47Å; L196-K321 HydrophobicContact CD1-CB 3.9Å; L196-K321 VanDerWaalsContact CD1-N 3.34Å; K321-N323 PolarHBondContact O-N 2.88Å |
| 322 | R | 75.5 | Confident | 80 | Confident | 50 Ų | 50 | 73.6 Ų | 73.6 | 19% | 0.189 | 37% | 0.373 | C | S | . | . | trans | -55.9 | 115.5 | -176 | 171.6 | 161.8 | -140.5 | -128.5 | -5.2 | 110.6 | L283 V295 E298 T320 M324 E327 | L283-R322 VanDerWaalsContact CD1-CD 3.45Å; V295-R322 HydrophobicContact CG1-CB 3.83Å; V295-R322 HydrophobicContact CG1-CG 4.42Å; E298-R322 HydrophobicContact CB-CB 4.42Å; E298-R322 HydrophobicContact CG-CB 4.1Å; E298-R322 HydrophobicContact CG-CG 4.4Å; E298-R322 WeakPolarHBondContact OE1-CA 3.47Å; E298-R322 WeakPolarHBondContact OE1-CG 3.4Å; E298-R322 IonicContact OE2-CZ 3.66Å; E298-R322 IonicContact OE2-NE 2.65Å; E298-R322 PolarHBondContact OE2-NE 2.68Å; E298-R322 IonicContact OE2-NH2 3.8Å; T320-R322 PolarHBondContact O-N 2.93Å; T320-R322 VanDerWaalsContact O-N 3.17Å; R322-M324 PolarHBondContact O-N 2.95Å; R322-M324 VanDerWaalsContact O-N 3.08Å; R322-E327 IonicContact CZ-OE2 3.47Å; R322-E327 IonicContact NH1-OE2 3.08Å; R322-E327 IonicContact NH2-OE2 2.65Å; R322-E327 PolarHBondContact NH2-OE2 3.22Å | ||
| 323 | N | 58.4 | Low | 80.4 | Confident | 76 Ų | 76 | 70.5 Ų | 70.5 | 41% | 0.406 | 36% | 0.363 | S | S | . | . | trans | -80.3 | 99.5 | 177.2 | -171.5 | -3.7 | 0 | 0 | 0 | 109.2 | E298 K321 Q325 C326 | E298-N323 PolarHBondContact OE1-N 2.87Å; K321-N323 PolarHBondContact O-N 2.88Å; N323-Q325 PolarHBondContact ND2-OE1 3Å; N323-Q325 PolarHBondContact O-N 2.87Å; N323-Q325 WeakPolarHBondContact OD1-CB 3.42Å; N323-Q325 WeakPolarHBondContact OD1-CG 3.37Å; N323-Q325 PolarHBondContact OD1-N 3.44Å; N323-Q325 PolarHBondContact OD1-OE1 2.99Å; N323-C326 WeakPolarHBondContact O-CB 3.19Å; N323-C326 PolarHBondContact O-N 3.46Å | ||
| 324 | M | 51.5 | Low | 80.5 | Confident | 135 Ų | 135 | 68.4 Ų | 68.4 | 67% | 0.665 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -9.5 | 176 | -75.7 | -178.7 | 151.7 | 0 | 0 | 114.5 | R322 C326 | R322-M324 PolarHBondContact O-N 2.95Å; R322-M324 VanDerWaalsContact O-N 3.08Å; M324-C326 VanDerWaalsContact C-N 3.27Å; M324-C326 PolarHBondContact O-N 2.52Å |
| 325 | Q | 46.7 | Very low | 80.7 | Confident | 151 Ų | 151 | 62.4 Ų | 62.4 | 71% | 0.706 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -13.2 | 171.2 | -58 | 162.1 | 3.5 | 0 | 0 | 113.3 | N323 | N323-Q325 PolarHBondContact ND2-OE1 3Å; N323-Q325 PolarHBondContact O-N 2.87Å; N323-Q325 WeakPolarHBondContact OD1-CB 3.42Å; N323-Q325 WeakPolarHBondContact OD1-CG 3.37Å; N323-Q325 PolarHBondContact OD1-N 3.44Å; N323-Q325 PolarHBondContact OD1-OE1 2.99Å |
| 326 | C | 41.9 | Very low | 80.8 | Confident | 102 Ų | 102 | 60.2 Ų | 60.2 | 69% | 0.689 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -108 | 13.1 | -163.8 | -146.6 | 0 | 0 | 0 | 0 | 116.7 | N323 M324 | N323-C326 WeakPolarHBondContact O-CB 3.19Å; N323-C326 PolarHBondContact O-N 3.46Å; M324-C326 VanDerWaalsContact C-N 3.27Å; M324-C326 PolarHBondContact O-N 2.52Å |
| 327 | E | 51.8 | Low | 80.9 | Confident | 87 Ų | 87 | 56.8 Ų | 56.8 | 41% | 0.407 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -108.4 | 90.1 | 151 | -72 | -162.5 | 101.3 | 0 | 0 | 107.9 | K244 R322 R329 | K244-E327 IonicContact NZ-OE1 2.68Å; K244-E327 PolarHBondContact NZ-OE1 3.08Å; R322-E327 IonicContact CZ-OE2 3.47Å; R322-E327 IonicContact NH1-OE2 3.08Å; R322-E327 IonicContact NH2-OE2 2.65Å; R322-E327 PolarHBondContact NH2-OE2 3.22Å; E327-R329 VanDerWaalsContact O-CG 3.28Å; E327-R329 WeakPolarHBondContact O-CG 3.45Å; E327-R329 PolarHBondContact O-N 3.2Å |
| 328 | S | 63.3 | Low | 81 | Confident | 65 Ų | 65 | 53.9 Ų | 53.9 | 46% | 0.455 | 27% | 0.273 | S | S | . | . | trans | -58.8 | 108.6 | -179.7 | -177.8 | 0 | 0 | 0 | 0 | 109.9 | G330 N464 | S328-G330 PolarHBondContact O-N 3.09Å; S328-N464 PolarHBondContact OG-OD1 3.38Å | ||
| 329 | R | 80 | Confident | 81.1 | Confident | 58 Ų | 58 | 52.4 Ų | 52.4 | 22% | 0.219 | 27% | 0.266 | C | S | . | . | trans | -82.2 | 28.7 | 178.4 | -54.1 | -168.7 | 60.7 | 137.4 | 2.5 | 111.7 | E327 P356 V429 L430 L465 D467 | E327-R329 VanDerWaalsContact O-CG 3.28Å; E327-R329 WeakPolarHBondContact O-CG 3.45Å; E327-R329 PolarHBondContact O-N 3.2Å; R329-P356 WeakPolarHBondContact O-CD 3.17Å; R329-V429 PolarHBondContact NH2-O 3.25Å; R329-L430 WeakPolarHBondContact CB-O 3.43Å; R329-L430 PolarHBondContact NE-O 2.91Å; R329-L430 PolarHBondContact NH2-O 2.79Å; R329-L430 VanDerWaalsContact NH2-O 3.08Å; R329-L465 HydrophobicContact CB-CB 4.04Å; R329-L465 WeakPolarHBondContact O-CD1 3.46Å; R329-D467 VanDerWaalsContact CD-OD1 3.23Å; R329-D467 WeakPolarHBondContact CD-OD1 3.38Å; R329-D467 IonicContact CZ-OD1 3.07Å; R329-D467 IonicContact NE-OD1 2.86Å; R329-D467 IonicContact NH1-OD1 3.22Å; R329-D467 PolarHBondContact NH1-OD1 3.18Å | ||
| 330 | G | 88.4 | Confident | 81.1 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.277 | C | S | . | . | trans | 80.6 | 177.4 | -164.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | S328 R353 H354 L465 | S328-G330 PolarHBondContact O-N 3.09Å; G330-R353 CarbonylContact C-O 3.57Å; G330-R353 WeakPolarHBondContact CA-O 3.43Å; G330-H354 WeakPolarHBondContact CA-O 3.38Å; G330-H354 PolarHBondContact N-O 2.87Å; G330-L465 WeakPolarHBondContact O-CB 3.38Å; G330-L465 PolarHBondContact O-N 3.17Å | ||
| 331 | E | 93.7 | Very high | 81.2 | Confident | 32 Ų | 32 | 56.7 Ų | 56.7 | 15% | 0.15 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 144.8 | 175.9 | -66.1 | 165.4 | 98.1 | 0 | 0 | 110.5 | A352 R353 H354 W462 H463 N464 | E331-A352 CarbonylContact O-C 3.6Å; E331-A352 WeakPolarHBondContact O-CA 2.86Å; E331-A352 WeakPolarHBondContact O-CB 3.47Å; E331-R353 HydrophobicContact CB-CG 4.23Å; E331-R353 VanDerWaalsContact CD-NH2 3.29Å; E331-R353 PolarHBondContact N-O 2.78Å; E331-R353 PolarHBondContact O-N 2.94Å; E331-R353 IonicContact OE1-CZ 3.91Å; E331-R353 IonicContact OE1-NE 3.98Å; E331-R353 IonicContact OE1-NH2 2.77Å; E331-R353 PolarHBondContact OE1-NH2 3.37Å; E331-R353 IonicContact OE2-CZ 3.16Å; E331-R353 IonicContact OE2-NE 2.68Å; E331-R353 PolarHBondContact OE2-NE 2.88Å; E331-R353 IonicContact OE2-NH2 3.78Å; E331-R353 PolarHBondContact OE2-NH2 2.83Å; E331-H354 IonicContact OE2-ND1 3.62Å; E331-W462 HydrophobicContact CB-CE3 3.79Å; E331-W462 HydrophobicContact CB-CZ3 4.18Å; E331-H463 CarbonylContact C-O 3.52Å; E331-H463 WeakPolarHBondContact CA-O 3.36Å; E331-N464 WeakPolarHBondContact CG-OD1 3.23Å |
| 332 | L | 97 | Very high | 81.7 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 127.2 | 174.9 | -175.7 | 65.7 | 0 | 0 | 0 | 110.4 | V349 A352 V369 F416 V418 L433 H463 L465 | L332-V349 HydrophobicContact CD1-CG1 4.17Å; L332-A352 HydrophobicContact CD1-CB 3.95Å; L332-V369 HydrophobicContact CD1-CG2 4.32Å; L332-V369 HydrophobicContact CD2-CG1 4.43Å; L332-F416 HydrophobicContact CD2-CB 3.66Å; L332-F416 HydrophobicContact CD2-CD1 4.05Å; L332-F416 HydrophobicContact CD2-CG 3.93Å; L332-V418 HydrophobicContact CD2-CG2 4.25Å; L332-L433 HydrophobicContact CD2-CD2 4.2Å; L332-H463 PolarHBondContact N-O 3.35Å; L332-H463 PolarHBondContact O-N 3.29Å; L332-L465 HydrophobicContact CB-CD1 4.48Å; L332-L465 HydrophobicContact CB-CD2 4.01Å; L332-L465 HydrophobicContact CB-CG 4.34Å; L332-L465 HydrophobicContact CD2-CD2 4.49Å |
| 333 | L | 98.1 | Very high | 82.7 | Confident | 23 Ų | 23 | 54 Ų | 54 | 12% | 0.12 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 105.4 | 167.1 | -177.1 | 58.4 | 0 | 0 | 0 | 108.4 | L350 K351 W462 | L333-L350 HydrophobicContact CB-CB 4.35Å; L333-L350 HydrophobicContact CD2-CB 4.09Å; L333-L350 HydrophobicContact CD2-CD1 4.03Å; L333-L350 HydrophobicContact CG-CB 4.01Å; L333-L350 HydrophobicContact CG-CD1 3.88Å; L333-L350 WeakPolarHBondContact O-CB 3.23Å; L333-L350 PolarHBondContact O-N 3.04Å; L333-L350 VanDerWaalsContact O-N 3.12Å; L333-K351 HydrophobicContact CB-CG 4.12Å; L333-K351 WeakPolarHBondContact CB-O 3.48Å; L333-K351 HydrophobicContact CD2-CG 4.06Å; L333-K351 PolarHBondContact N-O 3.21Å; L333-W462 HydrophobicContact CB-CD2 3.83Å; L333-W462 HydrophobicContact CB-CE3 3.68Å; L333-W462 HydrophobicContact CB-CH2 4.02Å; L333-W462 HydrophobicContact CB-CZ2 4.15Å; L333-W462 HydrophobicContact CB-CZ3 3.77Å; L333-W462 HydrophobicContact CD1-CD2 4.21Å; L333-W462 HydrophobicContact CD1-CG 4.14Å; L333-W462 HydrophobicContact CD2-CZ2 4.2Å; L333-W462 HydrophobicContact CG-CD2 4.46Å |
| 334 | A | 97.9 | Very high | 84.5 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 149.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | F416 L433 S460 K461 | A334-F416 HydrophobicContact CB-CE1 4.17Å; A334-F416 HydrophobicContact CB-CE2 4.42Å; A334-F416 HydrophobicContact CB-CZ 3.97Å; A334-L433 HydrophobicContact CB-CD2 4.45Å; A334-S460 WeakPolarHBondContact O-CA 3.36Å; A334-K461 PolarHBondContact N-O 2.69Å; A334-K461 PolarHBondContact O-N 3.44Å |
| 335 | S | 98.3 | Very high | 86.7 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.007 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 131.7 | 175.7 | 174.8 | 0 | 0 | 0 | 0 | 111.5 | V348 Q458 I459 S460 | S335-V348 PolarHBondContact N-O 3.37Å; S335-V348 PolarHBondContact O-N 3.49Å; S335-Q458 WeakPolarHBondContact OG-CG 3.43Å; S335-Q458 PolarHBondContact OG-NE2 3.17Å; S335-I459 CarbonylContact C-O 3.48Å; S335-I459 WeakPolarHBondContact CA-O 3.23Å; S335-I459 VanDerWaalsContact CB-O 3.25Å; S335-I459 WeakPolarHBondContact CB-O 3.15Å; S335-I459 PolarHBondContact OG-O 2.97Å; S335-S460 VanDerWaalsContact CB-OG 3.27Å; S335-S460 WeakPolarHBondContact CB-OG 3.43Å; S335-S460 PolarHBondContact OG-OG 3.14Å; S335-S460 VanDerWaalsContact OG-OG 3.09Å |
| 336 | L | 98.1 | Very high | 89.1 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 150.9 | -176.6 | -88.2 | 67.2 | 0 | 0 | 0 | 110.7 | S346 V347 F416 L435 W448 V451 I459 | L336-S346 WeakPolarHBondContact CA-O 3.43Å; L336-V347 HydrophobicContact CD1-CG1 4.15Å; L336-V347 HydrophobicContact CG-CG2 4.4Å; L336-F416 HydrophobicContact CD1-CZ 4.1Å; L336-L435 HydrophobicContact CD1-CD1 3.59Å; L336-L435 HydrophobicContact CD2-CD1 3.85Å; L336-L435 HydrophobicContact CG-CD1 4.41Å; L336-W448 HydrophobicContact CD2-CE3 3.65Å; L336-W448 HydrophobicContact CD2-CZ3 3.58Å; L336-V451 HydrophobicContact CB-CB 4.5Å; L336-V451 HydrophobicContact CB-CG1 4.12Å; L336-V451 HydrophobicContact CB-CG2 3.58Å; L336-V451 HydrophobicContact CD2-CG2 4.39Å; L336-I459 PolarHBondContact N-O 3.06Å; L336-I459 PolarHBondContact O-N 2.9Å |
| 337 | S | 97.6 | Very high | 91.8 | Very high | 8 Ų | 8 | 38.5 Ų | 38.5 | 6% | 0.056 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 133.4 | 166.5 | -171.9 | 0 | 0 | 0 | 0 | 109.9 | S346 R457 | S337-S346 PolarHBondContact N-O 2.76Å; S337-S346 PolarHBondContact O-N 2.91Å; S337-R457 WeakPolarHBondContact CB-O 3.48Å; S337-R457 PolarHBondContact OG-O 2.94Å |
| 338 | Y | 97.8 | Very high | 94 | Very high | 5 Ų | 5 | 35.2 Ų | 35.2 | 2% | 0.02 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 134.8 | 172.8 | -174.3 | -111.5 | 0 | 0 | 0 | 111.4 | P340 R344 L345 I404 P406 L409 R456 | Y338-P340 HydrophobicContact CD1-CB 4.45Å; Y338-P340 HydrophobicContact CD1-CG 3.76Å; Y338-P340 HydrophobicContact CE1-CB 3.83Å; Y338-P340 HydrophobicContact CE1-CG 3.63Å; Y338-R344 WeakPolarHBondContact CD2-O 3.35Å; Y338-L345 HydrophobicContact CD2-CB 4.04Å; Y338-L345 HydrophobicContact CD2-CD1 4.27Å; Y338-I404 HydrophobicContact CE2-CB 4.24Å; Y338-I404 HydrophobicContact CE2-CG2 4.43Å; Y338-I404 WeakPolarHBondContact CE2-O 3.28Å; Y338-I404 PolarHBondContact OH-O 3.23Å; Y338-P406 WeakPolarHBondContact OH-CA 3.3Å; Y338-P406 WeakPolarHBondContact OH-CD 2.92Å; Y338-P406 VanDerWaalsContact OH-N 3.16Å; Y338-L409 HydrophobicContact CD1-CD1 4.42Å; Y338-L409 HydrophobicContact CD1-CD2 3.5Å; Y338-L409 VanDerWaalsContact CD1-CD2 3.5Å; Y338-L409 HydrophobicContact CD2-CD1 3.85Å; Y338-L409 HydrophobicContact CD2-CD2 4.42Å; Y338-L409 HydrophobicContact CE1-CD2 3.71Å; Y338-L409 HydrophobicContact CE2-CD1 4.06Å; Y338-L409 HydrophobicContact CG-CD1 4.05Å; Y338-L409 HydrophobicContact CG-CD2 3.89Å; Y338-R456 PolarHBondContact O-N 2.84Å |
| 339 | Q | 96.6 | Very high | 95.7 | Very high | 79 Ų | 79 | 32.1 Ų | 32.1 | 37% | 0.369 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 94.5 | 179.4 | -64.4 | -177.9 | 2.4 | 0 | 0 | 109 | V341 S342 H343 R344 R456 | Q339-V341 PolarHBondContact O-N 2.98Å; Q339-S342 WeakPolarHBondContact CB-OG 3.42Å; Q339-S342 PolarHBondContact O-N 3.21Å; Q339-S342 PolarHBondContact O-OG 2.96Å; Q339-H343 PolarHBondContact O-N 2.9Å; Q339-H343 VanDerWaalsContact O-N 3.09Å; Q339-R344 HydrophobicContact CB-CB 4.45Å; Q339-R344 PolarHBondContact N-O 2.83Å; Q339-R344 PolarHBondContact O-N 3.09Å; Q339-R456 HydrophobicContact CG-CG 4.42Å |
| 340 | P | 93.8 | Very high | 96.6 | Very high | 40 Ų | 40 | 31 Ų | 31 | 26% | 0.26 | 17% | 0.166 | S | C | . | . | G | 310 helix | trans | -58.9 | -45.8 | -173.5 | -23.2 | 30 | 0 | 0 | 0 | 113.5 | Y338 S342 H343 P406 P455 | Y338-P340 HydrophobicContact CD1-CB 4.45Å; Y338-P340 HydrophobicContact CD1-CG 3.76Å; Y338-P340 HydrophobicContact CE1-CB 3.83Å; Y338-P340 HydrophobicContact CE1-CG 3.63Å; P340-S342 VanDerWaalsContact C-N 3.25Å; P340-S342 PolarHBondContact O-N 3.42Å; P340-H343 PolarHBondContact O-CD2 2.95Å; P340-H343 PolarHBondContact O-N 2.69Å; P340-P406 HydrophobicContact CB-CG 4.45Å; P340-P455 HydrophobicContact CG-CB 3.75Å |
| 341 | V | 94 | Very high | 97 | Very high | 134 Ų | 134 | 35.3 Ų | 35.3 | 81% | 0.812 | 18% | 0.184 | S | C | * | . | G | 310 helix | trans | -60.6 | -32.6 | -175.1 | -179.2 | 0 | 0 | 0 | 0 | 112.9 | Q339 | Q339-V341 PolarHBondContact O-N 2.98Š|
| 342 | S | 94.9 | Very high | 97.2 | Very high | 54 Ų | 54 | 33.9 Ų | 33.9 | 38% | 0.378 | 18% | 0.178 | S | C | . | . | G | 310 helix | trans | -98.5 | 1.4 | 175.3 | 61.7 | 0 | 0 | 0 | 0 | 113.3 | Q339 P340 R344 | Q339-S342 WeakPolarHBondContact CB-OG 3.42Å; Q339-S342 PolarHBondContact O-N 3.21Å; Q339-S342 PolarHBondContact O-OG 2.96Å; P340-S342 VanDerWaalsContact C-N 3.25Å; P340-S342 PolarHBondContact O-N 3.42Å; S342-R344 VanDerWaalsContact C-N 3.3Å; S342-R344 WeakPolarHBondContact O-CG 3.22Å; S342-R344 PolarHBondContact O-N 3.04Å |
| 343 | H | 96.3 | Very high | 96.9 | Very high | 83 Ų | 83 | 37.9 Ų | 37.9 | 38% | 0.384 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 37.9 | -174.5 | -60.7 | -138.5 | 0 | 0 | 0 | 112.7 | Q339 P340 D403 I404 | Q339-H343 PolarHBondContact O-N 2.9Å; Q339-H343 VanDerWaalsContact O-N 3.09Å; P340-H343 PolarHBondContact O-CD2 2.95Å; P340-H343 PolarHBondContact O-N 2.69Å; H343-D403 CarbonylContact O-C 3.44Å; H343-D403 VanDerWaalsContact O-CA 3.3Å; H343-D403 WeakPolarHBondContact O-CA 3.25Å; H343-I404 CarbonylContact C-O 3.5Å; H343-I404 CarbonylContact O-C 3.57Å; H343-I404 PolarHBondContact O-N 3.21Å |
| 344 | R | 96.4 | Very high | 96.4 | Very high | 106 Ų | 106 | 42.3 Ų | 42.3 | 40% | 0.4 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 124.1 | -171 | -75.2 | 168.1 | 112.6 | -158.7 | 3.3 | 113.6 | Y338 Q339 S342 I401 | Y338-R344 WeakPolarHBondContact CD2-O 3.35Å; Q339-R344 HydrophobicContact CB-CB 4.45Å; Q339-R344 PolarHBondContact N-O 2.83Å; Q339-R344 PolarHBondContact O-N 3.09Å; S342-R344 VanDerWaalsContact C-N 3.3Å; S342-R344 WeakPolarHBondContact O-CG 3.22Å; S342-R344 PolarHBondContact O-N 3.04Å; R344-I401 HydrophobicContact CB-CG2 4.34Å; R344-I401 HydrophobicContact CG-CG2 4.18Å |
| 345 | L | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 115.4 | 165.2 | -177.9 | 64.5 | 0 | 0 | 0 | 109.5 | Y338 V347 I401 Y402 I404 V412 V414 W448 | Y338-L345 HydrophobicContact CD2-CB 4.04Å; Y338-L345 HydrophobicContact CD2-CD1 4.27Å; L345-V347 HydrophobicContact CD2-CG2 4.22Å; L345-V347 HydrophobicContact CG-CG2 3.99Å; L345-I401 WeakPolarHBondContact O-CA 3.05Å; L345-Y402 PolarHBondContact N-O 3.36Å; L345-Y402 PolarHBondContact O-N 2.38Å; L345-I404 HydrophobicContact CB-CB 4.41Å; L345-I404 HydrophobicContact CB-CG1 3.94Å; L345-I404 HydrophobicContact CD2-CG1 4.34Å; L345-V412 HydrophobicContact CD2-CG1 4.36Å; L345-V414 HydrophobicContact CD2-CG2 3.96Å; L345-W448 HydrophobicContact CD1-CH2 4.41Å; L345-W448 HydrophobicContact CD1-CZ3 4.43Å; L345-W448 HydrophobicContact CD2-CH2 3.92Å; L345-W448 HydrophobicContact CD2-CZ3 4.25Å |
| 346 | S | 97.9 | Very high | 95.2 | Very high | 32 Ų | 32 | 44.4 Ų | 44.4 | 22% | 0.224 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 130.7 | 170.2 | -171.8 | 0 | 0 | 0 | 0 | 110 | L336 S337 | L336-S346 WeakPolarHBondContact CA-O 3.43Å; S337-S346 PolarHBondContact N-O 2.76Å; S337-S346 PolarHBondContact O-N 2.91Å |
| 347 | V | 98.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 109.3 | 179.7 | -176.8 | 0 | 0 | 0 | 0 | 108.8 | L336 L345 V371 F400 Y402 V414 F416 | L336-V347 HydrophobicContact CD1-CG1 4.15Å; L336-V347 HydrophobicContact CG-CG2 4.4Å; L345-V347 HydrophobicContact CD2-CG2 4.22Å; L345-V347 HydrophobicContact CG-CG2 3.99Å; V347-V371 HydrophobicContact CG1-CG1 4.13Å; V347-F400 PolarHBondContact N-O 2.93Å; V347-F400 PolarHBondContact O-N 3.28Å; V347-Y402 HydrophobicContact CB-CE2 4.13Å; V347-Y402 HydrophobicContact CG2-CD2 4.01Å; V347-Y402 HydrophobicContact CG2-CE2 3.93Å; V347-V414 HydrophobicContact CG1-CG1 4.09Å; V347-V414 HydrophobicContact CG2-CG1 4.34Å; V347-V414 HydrophobicContact CG2-CG2 4.4Å; V347-F416 HydrophobicContact CG1-CE1 3.58Å; V347-F416 HydrophobicContact CG1-CZ 3.5Å; V347-F416 VanDerWaalsContact CG1-CZ 3.5Å |
| 348 | V | 98.6 | Very high | 92.2 | Very high | 18 Ų | 18 | 54.6 Ų | 54.6 | 11% | 0.109 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 122.4 | 179.5 | -168.1 | 0 | 0 | 0 | 0 | 110 | S335 L350 E398 | S335-V348 PolarHBondContact N-O 3.37Å; S335-V348 PolarHBondContact O-N 3.49Å; V348-L350 HydrophobicContact CG1-CD2 3.72Å; V348-L350 HydrophobicContact CG1-CG 4.08Å; V348-E398 WeakPolarHBondContact CA-O 3.47Å |
| 349 | V | 98.6 | Very high | 90 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 108.5 | 168.5 | -175.4 | 0 | 0 | 0 | 0 | 107.1 | L332 V369 V371 T385 F396 N397 E398 F400 F416 | L332-V349 HydrophobicContact CD1-CG1 4.17Å; V349-V369 HydrophobicContact CG1-CB 4.09Å; V349-V369 HydrophobicContact CG1-CG1 4.43Å; V349-V369 HydrophobicContact CG1-CG2 3.79Å; V349-V369 HydrophobicContact CG2-CG1 4.43Å; V349-V371 HydrophobicContact CG2-CG2 3.74Å; V349-T385 HydrophobicContact CB-CG2 3.98Å; V349-T385 HydrophobicContact CG1-CG2 4.02Å; V349-T385 HydrophobicContact CG2-CG2 4.13Å; V349-F396 HydrophobicContact CB-CB 4.35Å; V349-F396 HydrophobicContact CG1-CB 3.94Å; V349-F396 HydrophobicContact CG1-CD2 3.64Å; V349-F396 HydrophobicContact CG1-CE2 4.39Å; V349-F396 HydrophobicContact CG1-CG 3.91Å; V349-F396 WeakPolarHBondContact O-CB 2.95Å; V349-N397 WeakPolarHBondContact O-CA 3.26Å; V349-N397 PolarHBondContact O-N 2.93Å; V349-E398 PolarHBondContact N-O 3.04Å; V349-E398 PolarHBondContact O-N 2.96Å; V349-F400 HydrophobicContact CG2-CD2 4.26Å; V349-F400 HydrophobicContact CG2-CE2 3.88Å; V349-F416 HydrophobicContact CG2-CD1 4.03Å; V349-F416 HydrophobicContact CG2-CE1 3.98Å |
| 350 | L | 98.2 | Very high | 87.5 | Confident | 36 Ų | 36 | 62.5 Ų | 62.5 | 19% | 0.188 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | -68.8 | -174.2 | -68.6 | 167 | 0 | 0 | 0 | 110.9 | L333 V348 F396 N397 | L333-L350 HydrophobicContact CB-CB 4.35Å; L333-L350 HydrophobicContact CD2-CB 4.09Å; L333-L350 HydrophobicContact CD2-CD1 4.03Å; L333-L350 HydrophobicContact CG-CB 4.01Å; L333-L350 HydrophobicContact CG-CD1 3.88Å; L333-L350 WeakPolarHBondContact O-CB 3.23Å; L333-L350 PolarHBondContact O-N 3.04Å; L333-L350 VanDerWaalsContact O-N 3.12Å; V348-L350 HydrophobicContact CG1-CD2 3.72Å; V348-L350 HydrophobicContact CG1-CG 4.08Å; L350-F396 WeakPolarHBondContact O-CA 3.2Å; L350-F396 PolarHBondContact O-N 2.62Å; L350-N397 PolarHBondContact O-N 2.36Å; L350-N397 PolarHBondContact O-OD1 3.34Å |
| 351 | K | 97.4 | Very high | 85.3 | Confident | 89 Ų | 89 | 65.6 Ų | 65.6 | 39% | 0.387 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | 158.9 | -179.3 | 58.2 | -176.4 | 177.4 | -176.2 | 0 | 111.9 | L333 P394 V395 W462 | L333-K351 HydrophobicContact CB-CG 4.12Å; L333-K351 WeakPolarHBondContact CB-O 3.48Å; L333-K351 HydrophobicContact CD2-CG 4.06Å; L333-K351 PolarHBondContact N-O 3.21Å; K351-P394 CarbonylContact C-O 3.3Å; K351-P394 WeakPolarHBondContact CA-O 3.37Å; K351-P394 VanDerWaalsContact CB-O 3.26Å; K351-P394 WeakPolarHBondContact CB-O 3.48Å; K351-V395 HydrophobicContact CB-CB 4.42Å; K351-V395 HydrophobicContact CB-CG2 4.1Å; K351-V395 HydrophobicContact CD-CG2 4.47Å; K351-W462 HydrophobicContact CD-CH2 4.3Å; K351-W462 HydrophobicContact CG-CH2 3.92Å; K351-W462 HydrophobicContact CG-CZ2 4.42Å |
| 352 | A | 96.9 | Very high | 83.1 | Confident | 2 Ų | 2 | 62.6 Ų | 62.6 | 2% | 0.017 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 162.5 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | E331 L332 L355 N393 P394 F396 | E331-A352 CarbonylContact O-C 3.6Å; E331-A352 WeakPolarHBondContact O-CA 2.86Å; E331-A352 WeakPolarHBondContact O-CB 3.47Å; L332-A352 HydrophobicContact CD1-CB 3.95Å; A352-L355 HydrophobicContact CB-CD1 4.11Å; A352-L355 HydrophobicContact CB-CD2 4.17Å; A352-L355 HydrophobicContact CB-CG 4.22Å; A352-N393 CarbonylContact O-C 3.56Å; A352-N393 VanDerWaalsContact O-C 3.3Å; A352-N393 VanDerWaalsContact O-CA 3.27Å; A352-N393 WeakPolarHBondContact O-CA 3.09Å; A352-P394 HydrophobicContact CB-CG 3.88Å; A352-P394 PolarHBondContact N-O 3.33Å; A352-F396 HydrophobicContact CB-CE2 4.46Å |
| 353 | R | 92.4 | Very high | 81.1 | Confident | 85 Ų | 85 | 65.7 Ų | 65.7 | 32% | 0.321 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 159.4 | 173 | 67.4 | -178.7 | -178.8 | -174.6 | -1.6 | 111.8 | G330 E331 L355 N393 W462 | G330-R353 CarbonylContact C-O 3.57Å; G330-R353 WeakPolarHBondContact CA-O 3.43Å; E331-R353 HydrophobicContact CB-CG 4.23Å; E331-R353 VanDerWaalsContact CD-NH2 3.29Å; E331-R353 PolarHBondContact N-O 2.78Å; E331-R353 PolarHBondContact O-N 2.94Å; E331-R353 IonicContact OE1-CZ 3.91Å; E331-R353 IonicContact OE1-NE 3.98Å; E331-R353 IonicContact OE1-NH2 2.77Å; E331-R353 PolarHBondContact OE1-NH2 3.37Å; E331-R353 IonicContact OE2-CZ 3.16Å; E331-R353 IonicContact OE2-NE 2.68Å; E331-R353 PolarHBondContact OE2-NE 2.88Å; E331-R353 IonicContact OE2-NH2 3.78Å; E331-R353 PolarHBondContact OE2-NH2 2.83Å; R353-L355 PolarHBondContact O-N 2.82Å; R353-N393 WeakPolarHBondContact CA-OD1 3.26Å; R353-N393 WeakPolarHBondContact CB-OD1 3.26Å; R353-W462 HydrophobicContact CB-CH2 4.29Å; R353-W462 HydrophobicContact CB-CZ3 4.41Å; R353-W462 HydrophobicContact CG-CH2 3.8Å; R353-W462 HydrophobicContact CG-CZ3 3.7Å |
| 354 | H | 87.5 | Confident | 79.5 | Confident | 116 Ų | 116 | 63.8 Ų | 63.8 | 54% | 0.537 | 33% | 0.334 | S | S | . | . | S | Bend | trans | 57.4 | 29.4 | 176.8 | -45.5 | 140.5 | 0 | 0 | 0 | 114.5 | G330 E331 L392 N393 | G330-H354 WeakPolarHBondContact CA-O 3.38Å; G330-H354 PolarHBondContact N-O 2.87Å; E331-H354 IonicContact OE2-ND1 3.62Å; H354-L392 PolarHBondContact N-O 2.65Å; H354-N393 PolarHBondContact N-OD1 2.8Å |
| 355 | L | 89.3 | Confident | 78.4 | Confident | 5 Ų | 5 | 58.7 Ų | 58.7 | 3% | 0.026 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 145.9 | 176.3 | -62.6 | 174.8 | 0 | 0 | 0 | 110.9 | A352 R353 P367 L392 P394 V418 L430 L465 | A352-L355 HydrophobicContact CB-CD1 4.11Å; A352-L355 HydrophobicContact CB-CD2 4.17Å; A352-L355 HydrophobicContact CB-CG 4.22Å; R353-L355 PolarHBondContact O-N 2.82Å; L355-P367 HydrophobicContact CD1-CB 3.72Å; L355-P367 HydrophobicContact CD1-CG 3.89Å; L355-L392 HydrophobicContact CB-CB 4.36Å; L355-L392 WeakPolarHBondContact CB-O 3.36Å; L355-L392 WeakPolarHBondContact CG-O 3.25Å; L355-L392 PolarHBondContact N-O 2.71Å; L355-L392 VanDerWaalsContact N-O 3.13Å; L355-P394 HydrophobicContact CD1-CG 3.78Å; L355-V418 HydrophobicContact CD1-CG1 4.13Å; L355-V418 HydrophobicContact CD2-CG1 3.96Å; L355-L430 HydrophobicContact CD1-CD1 4.39Å; L355-L465 HydrophobicContact CD2-CD1 3.73Å |
| 356 | P | 80.7 | Confident | 78 | Confident | 40 Ų | 40 | 60.4 Ų | 60.4 | 26% | 0.26 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 153.1 | -178.4 | 27.6 | -34.3 | 0 | 0 | 0 | 112.2 | R329 L430 | R329-P356 WeakPolarHBondContact O-CD 3.17Å; P356-L430 HydrophobicContact CG-CD2 3.84Å |
| 357 | K | 69.6 | Low | 77.8 | Confident | 167 Ų | 167 | 58.9 Ų | 58.9 | 73% | 0.726 | 31% | 0.313 | S | S | * | . | P | Polyproline II helix | trans | -87.9 | 127 | 167.3 | -64.7 | 179.6 | 179.5 | -176.8 | 0 | 108.8 | L392 | K357-L392 HydrophobicContact CD-CD1 4.24Å; K357-L392 HydrophobicContact CG-CD1 3.59Å; K357-L392 HydrophobicContact CG-CD2 4.2Å |
| 358 | M | 62.5 | Low | 77.7 | Confident | 56 Ų | 56 | 59.7 Ų | 59.7 | 28% | 0.276 | 32% | 0.316 | S | S | . | . | trans | -114.1 | -25.8 | 178 | -97.3 | 140.6 | 38.4 | 0 | 0 | 112.7 | M360 D420 E428 L430 | M358-M360 PolarHBondContact O-N 2.91Å; M358-D420 HydrophobicContact CE-CB 3.75Å; M358-E428 HydrophobicContact CE-CB 3.57Å; M358-E428 HydrophobicContact CE-CG 3.54Å; M358-E428 HydrophobicContact SD-CG 4.09Å; M358-L430 HydrophobicContact CE-CD2 3.59Å; M358-L430 HydrophobicContact CE-CG 4.13Å; M358-L430 HydrophobicContact SD-CD2 3.57Å; M358-L430 VanDerWaalsContact SD-CD2 3.57Å; M358-L430 HydrophobicContact SD-CG 4.49Å | ||
| 359 | D | 52.9 | Low | 77.7 | Confident | 49 Ų | 49 | 58.8 Ų | 58.8 | 26% | 0.262 | 31% | 0.311 | S | S | . | . | trans | -65.7 | 113.5 | -176.1 | -46.2 | 63.1 | 0 | 0 | 0 | 112.8 | T361 G362 L363 | D359-T361 PolarHBondContact O-N 3.08Å; D359-T361 VanDerWaalsContact O-N 3.08Å; D359-G362 PolarHBondContact O-N 3.32Å; D359-G362 VanDerWaalsContact O-N 3.13Å; D359-L363 WeakPolarHBondContact CB-O 3.27Å | ||
| 360 | M | 43.3 | Very low | 77.7 | Confident | 200 Ų | 200 | 61 Ų | 61 | 99% | 0.985 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -14.5 | 169.6 | -69.6 | -174 | -69.8 | 0 | 0 | 113.4 | M358 | M358-M360 PolarHBondContact O-N 2.91Š|
| 361 | T | 48 | Very low | 77.7 | Confident | 106 Ų | 106 | 59.2 Ų | 59.2 | 65% | 0.65 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -7.8 | 178.5 | 57.1 | 0 | 0 | 0 | 0 | 113.5 | D359 L363 | D359-T361 PolarHBondContact O-N 3.08Å; D359-T361 VanDerWaalsContact O-N 3.08Å; T361-L363 PolarHBondContact O-N 3.04Å |
| 362 | G | 48.1 | Very low | 77.7 | Confident | 70 Ų | 70 | 55.2 Ų | 55.2 | 72% | 0.722 | 29% | 0.294 | S | S | * | . | trans | 72.5 | 0.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | D359 | D359-G362 PolarHBondContact O-N 3.32Å; D359-G362 VanDerWaalsContact O-N 3.13Å | ||
| 363 | L | 51.9 | Low | 77.8 | Confident | 120 Ų | 120 | 55.1 Ų | 55.1 | 63% | 0.628 | 29% | 0.293 | S | S | * | . | trans | -67.4 | 159.2 | 165.7 | -64.2 | 173.4 | 0 | 0 | 0 | 109.7 | D359 T361 | D359-L363 WeakPolarHBondContact CB-O 3.27Å; T361-L363 PolarHBondContact O-N 3.04Å | ||
| 364 | S | 62.8 | Low | 78 | Confident | 42 Ų | 42 | 53 Ų | 53 | 29% | 0.294 | 29% | 0.286 | S | S | . | . | trans | -92 | 141 | -178.1 | 37 | 0 | 0 | 0 | 0 | 112 | C390 | S364-C390 WeakPolarHBondContact O-CA 3.38Å; S364-C390 WeakPolarHBondContact OG-CA 3.31Å; S364-C390 VanDerWaalsContact OG-CB 3.32Å; S364-C390 WeakPolarHBondContact OG-CB 3.4Å; S364-C390 PolarHBondContact OG-O 3.11Å | ||
| 365 | A | 73.3 | Confident | 78.3 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | trans | -45.9 | 153.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | P367 C390 T391 L392 D420 | A365-P367 WeakPolarHBondContact O-CD 3.49Å; A365-C390 CarbonylContact O-C 3.59Å; A365-C390 WeakPolarHBondContact O-CA 3.15Å; A365-C390 PolarHBondContact O-N 2.86Å; A365-C390 VanDerWaalsContact O-N 3.12Å; A365-T391 PolarHBondContact O-N 2.96Å; A365-L392 HydrophobicContact CB-CD2 3.87Å; A365-D420 WeakPolarHBondContact CA-OD2 3.3Å; A365-D420 WeakPolarHBondContact CB-OD2 3.12Å | ||
| 366 | N | 89.3 | Confident | 78.3 | Confident | 35 Ų | 35 | 53.6 Ų | 53.6 | 19% | 0.187 | 30% | 0.298 | C | S | . | . | trans | -114.9 | 65.7 | 177.3 | -56.2 | -75.5 | 0 | 0 | 0 | 110.6 | V387 K388 K389 C390 D420 F421 | N366-V387 HydrophobicContact CB-CG1 3.89Å; N366-V387 WeakPolarHBondContact O-CG1 3.46Å; N366-K388 CarbonylContact C-O 3.58Å; N366-K388 VanDerWaalsContact C-O 3.29Å; N366-K388 VanDerWaalsContact CA-O 3.25Å; N366-K388 WeakPolarHBondContact CA-O 3.41Å; N366-K389 VanDerWaalsContact OD1-CA 3.27Å; N366-K389 WeakPolarHBondContact OD1-CA 3.19Å; N366-C390 PolarHBondContact OD1-N 3.05Å; N366-D420 WeakPolarHBondContact CA-OD1 3.25Å; N366-D420 PolarHBondContact N-OD1 3.29Å; N366-F421 HydrophobicContact CB-CB 4.11Å; N366-F421 WeakPolarHBondContact CB-O 3.07Å; N366-F421 PolarHBondContact ND2-O 2.87Å; N366-F421 WeakPolarHBondContact O-CB 3.47Å; N366-F421 PolarHBondContact O-N 3.17Å | ||
| 367 | P | 93.8 | Very high | 78.7 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 143.3 | -170.9 | 27.7 | -38.3 | 0 | 0 | 0 | 114.4 | L355 A365 K388 T391 P394 F396 V418 V419 L430 | L355-P367 HydrophobicContact CD1-CB 3.72Å; L355-P367 HydrophobicContact CD1-CG 3.89Å; A365-P367 WeakPolarHBondContact O-CD 3.49Å; P367-K388 VanDerWaalsContact CD-O 3.27Å; P367-K388 WeakPolarHBondContact CD-O 3.35Å; P367-K388 PolarHBondContact O-N 3.32Å; P367-T391 WeakPolarHBondContact CD-O 3.46Å; P367-T391 HydrophobicContact CG-CG2 4.31Å; P367-T391 VanDerWaalsContact CG-O 3.27Å; P367-T391 WeakPolarHBondContact CG-O 3.19Å; P367-P394 HydrophobicContact CB-CG 4.11Å; P367-P394 HydrophobicContact CG-CB 3.76Å; P367-P394 HydrophobicContact CG-CG 3.56Å; P367-F396 HydrophobicContact CB-CZ 4.46Å; P367-V418 HydrophobicContact CB-CG1 4.36Å; P367-V419 WeakPolarHBondContact CA-O 3.12Å; P367-L430 HydrophobicContact CB-CD1 3.87Å |
| 368 | Y | 97 | Very high | 79.8 | Confident | 17 Ų | 17 | 63.1 Ų | 63.1 | 7% | 0.067 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 157.2 | 162.5 | 69.5 | -73 | 0 | 0 | 0 | 110.5 | K370 K384 V387 V419 F421 | Y368-K370 HydrophobicContact CD2-CG 4.29Å; Y368-K370 HydrophobicContact CE2-CD 4.26Å; Y368-K370 HydrophobicContact CE2-CG 3.82Å; Y368-K370 WeakPolarHBondContact OH-CE 3.41Å; Y368-K370 PolarHBondContact OH-NZ 2.88Å; Y368-K384 HydrophobicContact CD2-CB 4.36Å; Y368-K384 HydrophobicContact CD2-CD 4.5Å; Y368-K384 HydrophobicContact CE2-CD 4.47Å; Y368-V387 HydrophobicContact CD1-CG2 4.07Å; Y368-V387 HydrophobicContact CG-CG2 4.13Å; Y368-V419 HydrophobicContact CD1-CB 4.23Å; Y368-V419 HydrophobicContact CD1-CG1 4.44Å; Y368-V419 WeakPolarHBondContact CD1-O 3.45Å; Y368-V419 HydrophobicContact CE1-CB 3.8Å; Y368-V419 HydrophobicContact CE1-CG1 3.58Å; Y368-V419 HydrophobicContact CE2-CB 4.47Å; Y368-V419 PolarHBondContact N-O 2.96Å; Y368-V419 PolarHBondContact O-N 2.83Å; Y368-F421 HydrophobicContact CD1-CB 3.91Å; Y368-F421 HydrophobicContact CE1-CB 3.87Å; Y368-F421 HydrophobicContact CE1-CD2 4.3Å |
| 369 | V | 98.2 | Very high | 81.4 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 127.3 | 179.4 | -169.6 | 0 | 0 | 0 | 0 | 109.9 | L332 V349 V371 K384 T385 F396 F416 L417 V418 | L332-V369 HydrophobicContact CD1-CG2 4.32Å; L332-V369 HydrophobicContact CD2-CG1 4.43Å; V349-V369 HydrophobicContact CG1-CB 4.09Å; V349-V369 HydrophobicContact CG1-CG1 4.43Å; V349-V369 HydrophobicContact CG1-CG2 3.79Å; V349-V369 HydrophobicContact CG2-CG1 4.43Å; V369-V371 HydrophobicContact CG1-CG2 4.34Å; V369-K384 CarbonylContact O-C 3.57Å; V369-K384 VanDerWaalsContact O-CA 3.25Å; V369-K384 WeakPolarHBondContact O-CA 3.45Å; V369-T385 HydrophobicContact CB-CG2 3.95Å; V369-T385 HydrophobicContact CG2-CG2 4.49Å; V369-T385 PolarHBondContact N-OG1 3.12Å; V369-T385 PolarHBondContact O-N 2.89Å; V369-F396 HydrophobicContact CG2-CD2 4.18Å; V369-F396 HydrophobicContact CG2-CE1 4.34Å; V369-F396 HydrophobicContact CG2-CE2 3.65Å; V369-F396 HydrophobicContact CG2-CZ 3.75Å; V369-F416 HydrophobicContact CG1-CB 3.86Å; V369-F416 HydrophobicContact CG1-CD1 4.13Å; V369-L417 CarbonylContact C-O 3.5Å; V369-L417 WeakPolarHBondContact CA-O 3.36Å; V369-V418 HydrophobicContact CG2-CG2 4.14Å |
| 370 | K | 98.2 | Very high | 83.4 | Confident | 45 Ų | 45 | 68.4 Ų | 68.4 | 20% | 0.196 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 127.1 | 166.7 | -59.4 | 166.3 | -172 | 157.2 | 0 | 107.7 | Y368 K384 F416 L417 V419 | Y368-K370 HydrophobicContact CD2-CG 4.29Å; Y368-K370 HydrophobicContact CE2-CD 4.26Å; Y368-K370 HydrophobicContact CE2-CG 3.82Å; Y368-K370 WeakPolarHBondContact OH-CE 3.41Å; Y368-K370 PolarHBondContact OH-NZ 2.88Å; K370-K384 HydrophobicContact CG-CB 4.5Å; K370-F416 WeakPolarHBondContact O-CA 3.46Å; K370-L417 HydrophobicContact CB-CB 4.29Å; K370-L417 PolarHBondContact N-O 2.74Å; K370-L417 PolarHBondContact O-N 2.84Å; K370-V419 HydrophobicContact CD-CG2 3.96Å; K370-V419 HydrophobicContact CG-CG2 4.44Å |
| 371 | V | 98.4 | Very high | 86 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 104.4 | 176.8 | -173.8 | 0 | 0 | 0 | 0 | 108.1 | V347 V349 V369 K382 K383 F400 Y402 V414 E415 F416 | V347-V371 HydrophobicContact CG1-CG1 4.13Å; V349-V371 HydrophobicContact CG2-CG2 3.74Å; V369-V371 HydrophobicContact CG1-CG2 4.34Å; V371-K382 CarbonylContact O-C 3.51Å; V371-K382 WeakPolarHBondContact O-CA 3.38Å; V371-K383 PolarHBondContact N-O 3.47Å; V371-K383 PolarHBondContact O-N 2.86Å; V371-F400 HydrophobicContact CB-CD2 4.24Å; V371-F400 HydrophobicContact CG2-CD2 3.76Å; V371-F400 HydrophobicContact CG2-CE2 3.74Å; V371-Y402 HydrophobicContact CG1-CE2 4.42Å; V371-Y402 WeakPolarHBondContact CG1-OH 3.22Å; V371-Y402 PolarHBondContact O-OH 2.85Å; V371-V414 HydrophobicContact CG1-CG1 3.72Å; V371-E415 CarbonylContact C-O 3.54Å; V371-E415 WeakPolarHBondContact CA-O 3.37Å; V371-F416 HydrophobicContact CG1-CD1 4.48Å; V371-F416 HydrophobicContact CG1-CE1 4.28Å; V371-F416 HydrophobicContact CG2-CD1 3.88Å; V371-F416 HydrophobicContact CG2-CE1 4.13Å |
| 372 | N | 97.9 | Very high | 88.3 | Confident | 5 Ų | 5 | 61.1 Ų | 61.1 | 3% | 0.027 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 133.4 | 175 | -60.6 | -48.7 | 0 | 0 | 0 | 108.4 | F374 R379 A381 K382 E415 | N372-F374 HydrophobicContact CB-CD2 4.28Å; N372-F374 HydrophobicContact CB-CE2 3.58Å; N372-F374 HydrophobicContact CB-CZ 4.26Å; N372-R379 HydrophobicContact CB-CG 4.28Å; N372-A381 WeakPolarHBondContact CA-O 3.49Å; N372-K382 WeakPolarHBondContact OD1-CD 3.41Å; N372-K382 VanDerWaalsContact OD1-CG 3.25Å; N372-K382 WeakPolarHBondContact OD1-CG 3.39Å; N372-E415 HydrophobicContact CB-CB 4.25Å; N372-E415 PolarHBondContact N-O 2.85Å; N372-E415 PolarHBondContact ND2-OE2 2.89Å; N372-E415 PolarHBondContact O-N 3.13Å |
| 373 | V | 97.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 131.8 | 172 | -173.2 | 0 | 0 | 0 | 0 | 108.6 | R379 I380 A381 Y402 I404 V412 S413 V414 | V373-R379 CarbonylContact O-C 3.53Å; V373-R379 WeakPolarHBondContact O-CA 3.37Å; V373-R379 WeakPolarHBondContact O-CG 3.33Å; V373-I380 HydrophobicContact CB-CG1 4.23Å; V373-I380 HydrophobicContact CG1-CD1 4.03Å; V373-I380 HydrophobicContact CG1-CG1 4.03Å; V373-I380 WeakPolarHBondContact O-CG1 3.29Å; V373-I380 PolarHBondContact O-N 3.49Å; V373-A381 HydrophobicContact CB-CB 4.2Å; V373-A381 HydrophobicContact CG2-CB 4.5Å; V373-A381 PolarHBondContact N-O 2.72Å; V373-A381 PolarHBondContact O-N 2.85Å; V373-A381 VanDerWaalsContact O-N 3.15Å; V373-Y402 HydrophobicContact CB-CD1 4.5Å; V373-Y402 HydrophobicContact CB-CE1 4.48Å; V373-Y402 HydrophobicContact CG2-CD1 3.74Å; V373-Y402 HydrophobicContact CG2-CD2 4Å; V373-Y402 HydrophobicContact CG2-CE1 3.52Å; V373-Y402 HydrophobicContact CG2-CE2 3.81Å; V373-Y402 HydrophobicContact CG2-CG 3.96Å; V373-I404 HydrophobicContact CG1-CD1 4.47Å; V373-V412 HydrophobicContact CG1-CG1 3.88Å; V373-S413 WeakPolarHBondContact CA-O 3.37Å; V373-V414 HydrophobicContact CG2-CG2 4.4Å |
| 374 | F | 96.9 | Very high | 92.9 | Very high | 39 Ų | 39 | 63 Ų | 63 | 17% | 0.171 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 149.7 | 179.9 | -63.9 | -104 | 0 | 0 | 0 | 110.4 | N372 K378 R379 V412 S413 E415 | N372-F374 HydrophobicContact CB-CD2 4.28Å; N372-F374 HydrophobicContact CB-CE2 3.58Å; N372-F374 HydrophobicContact CB-CZ 4.26Å; F374-K378 CarbonylContact C-O 3.57Å; F374-K378 VanDerWaalsContact CA-O 3.3Å; F374-K378 WeakPolarHBondContact CA-O 3.35Å; F374-R379 HydrophobicContact CD1-CB 3.75Å; F374-R379 HydrophobicContact CD1-CG 4.41Å; F374-R379 HydrophobicContact CE1-CB 3.65Å; F374-R379 HydrophobicContact CE1-CG 4.25Å; F374-R379 HydrophobicContact CE2-CG 4.48Å; F374-R379 HydrophobicContact CG-CB 4.35Å; F374-R379 HydrophobicContact CZ-CB 4.16Å; F374-R379 HydrophobicContact CZ-CG 4.28Å; F374-V412 VanDerWaalsContact O-CA 3.29Å; F374-V412 WeakPolarHBondContact O-CA 3.36Å; F374-S413 PolarHBondContact N-O 2.87Å; F374-S413 PolarHBondContact O-N 2.87Å; F374-E415 HydrophobicContact CD2-CB 4.4Å; F374-E415 HydrophobicContact CE2-CB 3.89Å |
| 375 | Y | 94.6 | Very high | 94.6 | Very high | 91 Ų | 91 | 61.2 Ų | 61.2 | 36% | 0.357 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 115.1 | 163.8 | 170.1 | -104.7 | 0 | 0 | 0 | 106.9 | R377 K378 L408 D411 V412 | Y375-R377 PolarHBondContact O-N 3.38Å; Y375-K378 PolarHBondContact N-O 2.89Å; Y375-K378 PolarHBondContact O-N 2.96Å; Y375-L408 HydrophobicContact CD2-CB 4.04Å; Y375-L408 HydrophobicContact CE2-CB 3.87Å; Y375-L408 HydrophobicContact CE2-CD1 4.48Å; Y375-L408 HydrophobicContact CE2-CD2 3.75Å; Y375-L408 HydrophobicContact CE2-CG 4.22Å; Y375-D411 HydrophobicContact CD2-CB 3.85Å; Y375-D411 HydrophobicContact CE2-CB 3.66Å; Y375-V412 HydrophobicContact CD2-CG2 4.39Å |
| 376 | G | 89.6 | Confident | 95.7 | Very high | 44 Ų | 44 | 67.8 Ų | 67.8 | 45% | 0.454 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | -121.6 | -163.7 | 0 | 0 | 0 | 0 | 0 | 111 | D411 | G376-D411 PolarHBondContact N-O 3Š|
| 377 | R | 87.9 | Confident | 96 | Very high | 253 Ų | 253 | 68.7 Ų | 68.7 | 96% | 0.955 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -4.4 | 178.1 | -59.9 | -175.1 | -176.8 | -171.3 | 1.1 | 114.6 | Y375 | Y375-R377 PolarHBondContact O-N 3.38Š|
| 378 | K | 93.3 | Very high | 96 | Very high | 154 Ų | 154 | 71.5 Ų | 71.5 | 67% | 0.67 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 120.8 | -174.4 | -174.7 | 178.5 | -179.7 | -179 | 0 | 110.9 | F374 Y375 I380 | F374-K378 CarbonylContact C-O 3.57Å; F374-K378 VanDerWaalsContact CA-O 3.3Å; F374-K378 WeakPolarHBondContact CA-O 3.35Å; Y375-K378 PolarHBondContact N-O 2.89Å; Y375-K378 PolarHBondContact O-N 2.96Å; K378-I380 PolarHBondContact O-N 3.32Å |
| 379 | R | 95.9 | Very high | 95.7 | Very high | 133 Ų | 133 | 78.7 Ų | 78.7 | 50% | 0.502 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 114 | 171 | -170.1 | 177.6 | 61 | -135.4 | -10 | 109.7 | N372 V373 F374 A381 | N372-R379 HydrophobicContact CB-CG 4.28Å; V373-R379 CarbonylContact O-C 3.53Å; V373-R379 WeakPolarHBondContact O-CA 3.37Å; V373-R379 WeakPolarHBondContact O-CG 3.33Å; F374-R379 HydrophobicContact CD1-CB 3.75Å; F374-R379 HydrophobicContact CD1-CG 4.41Å; F374-R379 HydrophobicContact CE1-CB 3.65Å; F374-R379 HydrophobicContact CE1-CG 4.25Å; F374-R379 HydrophobicContact CE2-CG 4.48Å; F374-R379 HydrophobicContact CG-CB 4.35Å; F374-R379 HydrophobicContact CZ-CB 4.16Å; F374-R379 HydrophobicContact CZ-CG 4.28Å; R379-A381 WeakPolarHBondContact CG-O 3.47Å |
| 380 | I | 95.5 | Very high | 95.1 | Very high | 83 Ų | 83 | 82.4 Ų | 82.4 | 43% | 0.426 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | -29.4 | -179.9 | 56.7 | 168.4 | 0 | 0 | 0 | 112.8 | V373 K378 I404 | V373-I380 HydrophobicContact CB-CG1 4.23Å; V373-I380 HydrophobicContact CG1-CD1 4.03Å; V373-I380 HydrophobicContact CG1-CG1 4.03Å; V373-I380 WeakPolarHBondContact O-CG1 3.29Å; V373-I380 PolarHBondContact O-N 3.49Å; K378-I380 PolarHBondContact O-N 3.32Å; I380-I404 HydrophobicContact CD1-CD1 3.76Å |
| 381 | A | 96.7 | Very high | 94.6 | Very high | 29 Ų | 29 | 82.1 Ų | 82.1 | 24% | 0.24 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 159.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | N372 V373 R379 Y402 | N372-A381 WeakPolarHBondContact CA-O 3.49Å; V373-A381 HydrophobicContact CB-CB 4.2Å; V373-A381 HydrophobicContact CG2-CB 4.5Å; V373-A381 PolarHBondContact N-O 2.72Å; V373-A381 PolarHBondContact O-N 2.85Å; V373-A381 VanDerWaalsContact O-N 3.15Å; R379-A381 WeakPolarHBondContact CG-O 3.47Å; A381-Y402 HydrophobicContact CB-CD1 3.64Å; A381-Y402 HydrophobicContact CB-CE1 3.59Å |
| 382 | K | 97.4 | Very high | 94.1 | Very high | 123 Ų | 123 | 83.7 Ų | 83.7 | 54% | 0.535 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 123.6 | 175.7 | 176.1 | 171.8 | -180 | -173.2 | 0 | 110.4 | V371 N372 | V371-K382 CarbonylContact O-C 3.51Å; V371-K382 WeakPolarHBondContact O-CA 3.38Å; N372-K382 WeakPolarHBondContact OD1-CD 3.41Å; N372-K382 VanDerWaalsContact OD1-CG 3.25Å; N372-K382 WeakPolarHBondContact OD1-CG 3.39Å |
| 383 | K | 98.1 | Very high | 93.8 | Very high | 87 Ų | 87 | 87.6 Ų | 87.6 | 38% | 0.378 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 171.4 | 172.4 | -62.7 | -178.4 | -179.4 | 177.1 | 0 | 109.1 | V371 F400 I401 Y402 | V371-K383 PolarHBondContact N-O 3.47Å; V371-K383 PolarHBondContact O-N 2.86Å; K383-F400 HydrophobicContact CB-CD1 3.73Å; K383-F400 HydrophobicContact CB-CE1 3.96Å; K383-F400 HydrophobicContact CB-CG 4.18Å; K383-F400 HydrophobicContact CD-CB 4.05Å; K383-F400 HydrophobicContact CD-CD1 3.72Å; K383-F400 HydrophobicContact CD-CG 4.18Å; K383-F400 HydrophobicContact CG-CD1 4.31Å; K383-I401 PolarHBondContact NZ-O 2.73Å; K383-Y402 HydrophobicContact CD-CE1 3.9Å; K383-Y402 HydrophobicContact CG-CE1 4.16Å |
| 384 | K | 97.7 | Very high | 93.7 | Very high | 143 Ų | 143 | 87.7 Ų | 87.7 | 62% | 0.622 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 151.6 | 175.1 | 61.5 | 165.6 | -174.8 | 169.9 | 0 | 110.4 | Y368 V369 K370 F400 | Y368-K384 HydrophobicContact CD2-CB 4.36Å; Y368-K384 HydrophobicContact CD2-CD 4.5Å; Y368-K384 HydrophobicContact CE2-CD 4.47Å; V369-K384 CarbonylContact O-C 3.57Å; V369-K384 VanDerWaalsContact O-CA 3.25Å; V369-K384 WeakPolarHBondContact O-CA 3.45Å; K370-K384 HydrophobicContact CG-CB 4.5Å; K384-F400 WeakPolarHBondContact O-CZ 3.14Å |
| 385 | T | 98.5 | Very high | 93.8 | Very high | 4 Ų | 4 | 89.3 Ų | 89.3 | 3% | 0.025 | 43% | 0.428 | C | S | . | . | P | Polyproline II helix | trans | -74.8 | 171.2 | 167.8 | 68.5 | 0 | 0 | 0 | 0 | 111.4 | V349 V369 F396 E398 F400 | V349-T385 HydrophobicContact CB-CG2 3.98Å; V349-T385 HydrophobicContact CG1-CG2 4.02Å; V349-T385 HydrophobicContact CG2-CG2 4.13Å; V369-T385 HydrophobicContact CB-CG2 3.95Å; V369-T385 HydrophobicContact CG2-CG2 4.49Å; V369-T385 PolarHBondContact N-OG1 3.12Å; V369-T385 PolarHBondContact O-N 2.89Å; T385-F396 HydrophobicContact CG2-CB 4.29Å; T385-F396 HydrophobicContact CG2-CD1 3.93Å; T385-F396 HydrophobicContact CG2-CG 4.16Å; T385-F396 WeakPolarHBondContact OG1-CD1 3.1Å; T385-F396 WeakPolarHBondContact OG1-CE1 3.26Å; T385-E398 WeakPolarHBondContact CA-OE2 3.47Å; T385-E398 WeakPolarHBondContact CB-OE2 3.41Å; T385-E398 HydrophobicContact CG2-CB 4.24Å; T385-F400 HydrophobicContact CG2-CE2 3.96Å; T385-F400 HydrophobicContact CG2-CZ 3.97Å |
| 386 | H | 97.6 | Very high | 93.9 | Very high | 138 Ų | 138 | 85.4 Ų | 85.4 | 64% | 0.639 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 154.8 | 160.9 | -64.6 | 74.5 | 0 | 0 | 0 | 110.7 | E398 | H386-E398 IonicContact CE1-OE2 3.5Å; H386-E398 IonicContact CG-OE2 3.59Å; H386-E398 PolarHBondContact N-OE1 3.09Å; H386-E398 PolarHBondContact N-OE2 3Å; H386-E398 IonicContact ND1-OE1 3.76Å; H386-E398 IonicContact ND1-OE2 3.93Å; H386-E398 PolarHBondContact ND1-OE2 2.83Å |
| 387 | V | 95.5 | Very high | 94.3 | Very high | 55 Ų | 55 | 88.4 Ų | 88.4 | 33% | 0.333 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -79.1 | 122.5 | 173.4 | 177.3 | 0 | 0 | 0 | 0 | 108.7 | N366 Y368 F421 | N366-V387 HydrophobicContact CB-CG1 3.89Å; N366-V387 WeakPolarHBondContact O-CG1 3.46Å; Y368-V387 HydrophobicContact CD1-CG2 4.07Å; Y368-V387 HydrophobicContact CG-CG2 4.13Å; V387-F421 HydrophobicContact CG1-CB 3.82Å; V387-F421 HydrophobicContact CG1-CD1 4.27Å; V387-F421 HydrophobicContact CG1-CG 4.25Å; V387-F421 HydrophobicContact CG2-CB 3.98Å; V387-F421 HydrophobicContact CG2-CD1 4.5Å; V387-F421 HydrophobicContact CG2-CD2 4.44Å; V387-F421 HydrophobicContact CG2-CG 4.03Å |
| 388 | K | 94.4 | Very high | 94.8 | Very high | 58 Ų | 58 | 77.5 Ų | 77.5 | 25% | 0.252 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -95 | 120 | 171.3 | -52 | -64.5 | 164.9 | 144.6 | 0 | 106.7 | N366 P367 T391 P394 V395 F396 E398 | N366-K388 CarbonylContact C-O 3.58Å; N366-K388 VanDerWaalsContact C-O 3.29Å; N366-K388 VanDerWaalsContact CA-O 3.25Å; N366-K388 WeakPolarHBondContact CA-O 3.41Å; P367-K388 VanDerWaalsContact CD-O 3.27Å; P367-K388 WeakPolarHBondContact CD-O 3.35Å; P367-K388 PolarHBondContact O-N 3.32Å; K388-T391 HydrophobicContact CB-CG2 4.02Å; K388-P394 HydrophobicContact CB-CB 3.84Å; K388-P394 HydrophobicContact CG-CB 3.94Å; K388-V395 WeakPolarHBondContact CD-O 3.27Å; K388-V395 WeakPolarHBondContact CE-O 3.28Å; K388-V395 PolarHBondContact NZ-O 3.32Å; K388-F396 HydrophobicContact CB-CE1 4.5Å; K388-F396 HydrophobicContact CD-CD1 4.39Å; K388-F396 HydrophobicContact CG-CD1 3.77Å; K388-F396 HydrophobicContact CG-CE1 3.57Å; K388-F396 HydrophobicContact CG-CZ 4.37Å; K388-F396 PolarHBondContact NZ-O 2.66Å; K388-F396 VanDerWaalsContact NZ-O 3.13Å; K388-E398 WeakPolarHBondContact CE-OE1 3.28Å; K388-E398 IonicContact NZ-OE1 3.42Å; K388-E398 PolarHBondContact NZ-OE1 3.43Å |
| 389 | K | 90.1 | Very high | 95 | Very high | 168 Ų | 168 | 74.1 Ų | 74.1 | 73% | 0.73 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -79.8 | 148.9 | -174.1 | -63.2 | -178.6 | -177.5 | 176.5 | 0 | 111.7 | N366 T391 | N366-K389 VanDerWaalsContact OD1-CA 3.27Å; N366-K389 WeakPolarHBondContact OD1-CA 3.19Å; K389-T391 PolarHBondContact O-N 2.82Å |
| 390 | C | 85.4 | Confident | 95.1 | Very high | 78 Ų | 78 | 68.9 Ų | 68.9 | 53% | 0.527 | 35% | 0.354 | S | S | . | . | S | Bend | trans | 51.8 | 43.1 | 163.7 | -57.5 | 0 | 0 | 0 | 0 | 115.5 | S364 A365 N366 | S364-C390 WeakPolarHBondContact O-CA 3.38Å; S364-C390 WeakPolarHBondContact OG-CA 3.31Å; S364-C390 VanDerWaalsContact OG-CB 3.32Å; S364-C390 WeakPolarHBondContact OG-CB 3.4Å; S364-C390 PolarHBondContact OG-O 3.11Å; A365-C390 CarbonylContact O-C 3.59Å; A365-C390 WeakPolarHBondContact O-CA 3.15Å; A365-C390 PolarHBondContact O-N 2.86Å; A365-C390 VanDerWaalsContact O-N 3.12Å; N366-C390 PolarHBondContact OD1-N 3.05Å |
| 391 | T | 87.4 | Confident | 95.2 | Very high | 39 Ų | 39 | 67.7 Ų | 67.7 | 24% | 0.239 | 35% | 0.348 | C | S | . | . | trans | -148.1 | 139.3 | -177.6 | -176.7 | 0 | 0 | 0 | 0 | 114 | A365 P367 K388 K389 N393 P394 | A365-T391 PolarHBondContact O-N 2.96Å; P367-T391 WeakPolarHBondContact CD-O 3.46Å; P367-T391 HydrophobicContact CG-CG2 4.31Å; P367-T391 VanDerWaalsContact CG-O 3.27Å; P367-T391 WeakPolarHBondContact CG-O 3.19Å; K388-T391 HydrophobicContact CB-CG2 4.02Å; K389-T391 PolarHBondContact O-N 2.82Å; T391-N393 PolarHBondContact OG1-N 2.7Å; T391-P394 HydrophobicContact CG2-CB 3.87Å | ||
| 392 | L | 88.4 | Confident | 95.3 | Very high | 34 Ų | 34 | 66.9 Ų | 66.9 | 18% | 0.178 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -95.3 | -3.4 | 171 | -52.1 | 178 | 0 | 0 | 0 | 112.6 | H354 L355 K357 A365 P394 | H354-L392 PolarHBondContact N-O 2.65Å; L355-L392 HydrophobicContact CB-CB 4.36Å; L355-L392 WeakPolarHBondContact CB-O 3.36Å; L355-L392 WeakPolarHBondContact CG-O 3.25Å; L355-L392 PolarHBondContact N-O 2.71Å; L355-L392 VanDerWaalsContact N-O 3.13Å; K357-L392 HydrophobicContact CD-CD1 4.24Å; K357-L392 HydrophobicContact CG-CD1 3.59Å; K357-L392 HydrophobicContact CG-CD2 4.2Å; A365-L392 HydrophobicContact CB-CD2 3.87Å; L392-P394 VanDerWaalsContact C-CD 3.43Å |
| 393 | N | 92.2 | Very high | 95.2 | Very high | 87 Ų | 87 | 66.8 Ų | 66.8 | 47% | 0.465 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -130 | 59.3 | -179.2 | -55.4 | -63.7 | 0 | 0 | 0 | 110.4 | A352 R353 H354 T391 | A352-N393 CarbonylContact O-C 3.56Å; A352-N393 VanDerWaalsContact O-C 3.3Å; A352-N393 VanDerWaalsContact O-CA 3.27Å; A352-N393 WeakPolarHBondContact O-CA 3.09Å; R353-N393 WeakPolarHBondContact CA-OD1 3.26Å; R353-N393 WeakPolarHBondContact CB-OD1 3.26Å; H354-N393 PolarHBondContact N-OD1 2.8Å; T391-N393 PolarHBondContact OG1-N 2.7Å |
| 394 | P | 95.3 | Very high | 95.1 | Very high | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.006 | 33% | 0.328 | C | S | . | . | trans | -69.5 | 138.6 | -173.6 | 29.8 | -38 | 0 | 0 | 0 | 112.8 | K351 A352 L355 P367 K388 T391 L392 F396 | K351-P394 CarbonylContact C-O 3.3Å; K351-P394 WeakPolarHBondContact CA-O 3.37Å; K351-P394 VanDerWaalsContact CB-O 3.26Å; K351-P394 WeakPolarHBondContact CB-O 3.48Å; A352-P394 HydrophobicContact CB-CG 3.88Å; A352-P394 PolarHBondContact N-O 3.33Å; L355-P394 HydrophobicContact CD1-CG 3.78Å; P367-P394 HydrophobicContact CB-CG 4.11Å; P367-P394 HydrophobicContact CG-CB 3.76Å; P367-P394 HydrophobicContact CG-CG 3.56Å; K388-P394 HydrophobicContact CB-CB 3.84Å; K388-P394 HydrophobicContact CG-CB 3.94Å; T391-P394 HydrophobicContact CG2-CB 3.87Å; L392-P394 VanDerWaalsContact C-CD 3.43Å; P394-F396 HydrophobicContact CB-CD2 4.46Å; P394-F396 HydrophobicContact CB-CE1 4.18Å; P394-F396 HydrophobicContact CB-CE2 3.75Å; P394-F396 HydrophobicContact CB-CZ 3.58Å; P394-F396 HydrophobicContact CG-CD2 4.49Å; P394-F396 HydrophobicContact CG-CE2 3.49Å; P394-F396 VanDerWaalsContact CG-CE2 3.49Å; P394-F396 HydrophobicContact CG-CZ 3.54Å | ||
| 395 | V | 97.6 | Very high | 95 | Very high | 74 Ų | 74 | 58.2 Ų | 58.2 | 45% | 0.448 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 118.2 | 166 | -178.1 | 0 | 0 | 0 | 0 | 108.9 | K351 K388 | K351-V395 HydrophobicContact CB-CB 4.42Å; K351-V395 HydrophobicContact CB-CG2 4.1Å; K351-V395 HydrophobicContact CD-CG2 4.47Å; K388-V395 WeakPolarHBondContact CD-O 3.27Å; K388-V395 WeakPolarHBondContact CE-O 3.28Å; K388-V395 PolarHBondContact NZ-O 3.32Å |
| 396 | F | 98.1 | Very high | 94.7 | Very high | 9 Ų | 9 | 60.2 Ų | 60.2 | 4% | 0.039 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | -63.9 | 179.3 | -61.1 | -74.5 | 0 | 0 | 0 | 110.2 | V349 L350 A352 P367 V369 T385 K388 P394 E398 | V349-F396 HydrophobicContact CB-CB 4.35Å; V349-F396 HydrophobicContact CG1-CB 3.94Å; V349-F396 HydrophobicContact CG1-CD2 3.64Å; V349-F396 HydrophobicContact CG1-CE2 4.39Å; V349-F396 HydrophobicContact CG1-CG 3.91Å; V349-F396 WeakPolarHBondContact O-CB 2.95Å; L350-F396 WeakPolarHBondContact O-CA 3.2Å; L350-F396 PolarHBondContact O-N 2.62Å; A352-F396 HydrophobicContact CB-CE2 4.46Å; P367-F396 HydrophobicContact CB-CZ 4.46Å; V369-F396 HydrophobicContact CG2-CD2 4.18Å; V369-F396 HydrophobicContact CG2-CE1 4.34Å; V369-F396 HydrophobicContact CG2-CE2 3.65Å; V369-F396 HydrophobicContact CG2-CZ 3.75Å; T385-F396 HydrophobicContact CG2-CB 4.29Å; T385-F396 HydrophobicContact CG2-CD1 3.93Å; T385-F396 HydrophobicContact CG2-CG 4.16Å; T385-F396 WeakPolarHBondContact OG1-CD1 3.1Å; T385-F396 WeakPolarHBondContact OG1-CE1 3.26Å; K388-F396 HydrophobicContact CB-CE1 4.5Å; K388-F396 HydrophobicContact CD-CD1 4.39Å; K388-F396 HydrophobicContact CG-CD1 3.77Å; K388-F396 HydrophobicContact CG-CE1 3.57Å; K388-F396 HydrophobicContact CG-CZ 4.37Å; K388-F396 PolarHBondContact NZ-O 2.66Å; K388-F396 VanDerWaalsContact NZ-O 3.13Å; P394-F396 HydrophobicContact CB-CD2 4.46Å; P394-F396 HydrophobicContact CB-CE1 4.18Å; P394-F396 HydrophobicContact CB-CE2 3.75Å; P394-F396 HydrophobicContact CB-CZ 3.58Å; P394-F396 HydrophobicContact CG-CD2 4.49Å; P394-F396 HydrophobicContact CG-CE2 3.49Å; P394-F396 VanDerWaalsContact CG-CE2 3.49Å; P394-F396 HydrophobicContact CG-CZ 3.54Å; F396-E398 VanDerWaalsContact C-N 3.32Å |
| 397 | N | 97.5 | Very high | 94.5 | Very high | 106 Ų | 106 | 60.1 Ų | 60.1 | 57% | 0.567 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 54.5 | 42.5 | -170.6 | -63.8 | -14.3 | 0 | 0 | 0 | 113 | V349 L350 | V349-N397 WeakPolarHBondContact O-CA 3.26Å; V349-N397 PolarHBondContact O-N 2.93Å; L350-N397 PolarHBondContact O-N 2.36Å; L350-N397 PolarHBondContact O-OD1 3.34Å |
| 398 | E | 98.4 | Very high | 94.4 | Very high | 25 Ų | 25 | 60.4 Ų | 60.4 | 12% | 0.117 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 124.8 | -173.2 | -70.8 | 172.7 | -117.3 | 0 | 0 | 110.9 | V348 V349 T385 H386 K388 F396 F400 | V348-E398 WeakPolarHBondContact CA-O 3.47Å; V349-E398 PolarHBondContact N-O 3.04Å; V349-E398 PolarHBondContact O-N 2.96Å; T385-E398 WeakPolarHBondContact CA-OE2 3.47Å; T385-E398 WeakPolarHBondContact CB-OE2 3.41Å; T385-E398 HydrophobicContact CG2-CB 4.24Å; H386-E398 IonicContact CE1-OE2 3.5Å; H386-E398 IonicContact CG-OE2 3.59Å; H386-E398 PolarHBondContact N-OE1 3.09Å; H386-E398 PolarHBondContact N-OE2 3Å; H386-E398 IonicContact ND1-OE1 3.76Å; H386-E398 IonicContact ND1-OE2 3.93Å; H386-E398 PolarHBondContact ND1-OE2 2.83Å; K388-E398 WeakPolarHBondContact CE-OE1 3.28Å; K388-E398 IonicContact NZ-OE1 3.42Å; K388-E398 PolarHBondContact NZ-OE1 3.43Å; F396-E398 VanDerWaalsContact C-N 3.32Å; E398-F400 HydrophobicContact CB-CZ 4.25Å |
| 399 | S | 97.7 | Very high | 94.3 | Very high | 82 Ų | 82 | 58.4 Ų | 58.4 | 57% | 0.573 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 133.7 | -175.8 | 58 | 0 | 0 | 0 | 0 | 112.6 | ||
| 400 | F | 98.1 | Very high | 94.4 | Very high | 23 Ų | 23 | 53.9 Ų | 53.9 | 10% | 0.101 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 119.2 | 178.1 | -56.8 | -62 | 0 | 0 | 0 | 109.3 | V347 V349 V371 K383 K384 T385 E398 Y402 | V347-F400 PolarHBondContact N-O 2.93Å; V347-F400 PolarHBondContact O-N 3.28Å; V349-F400 HydrophobicContact CG2-CD2 4.26Å; V349-F400 HydrophobicContact CG2-CE2 3.88Å; V371-F400 HydrophobicContact CB-CD2 4.24Å; V371-F400 HydrophobicContact CG2-CD2 3.76Å; V371-F400 HydrophobicContact CG2-CE2 3.74Å; K383-F400 HydrophobicContact CB-CD1 3.73Å; K383-F400 HydrophobicContact CB-CE1 3.96Å; K383-F400 HydrophobicContact CB-CG 4.18Å; K383-F400 HydrophobicContact CD-CB 4.05Å; K383-F400 HydrophobicContact CD-CD1 3.72Å; K383-F400 HydrophobicContact CD-CG 4.18Å; K383-F400 HydrophobicContact CG-CD1 4.31Å; K384-F400 WeakPolarHBondContact O-CZ 3.14Å; T385-F400 HydrophobicContact CG2-CE2 3.96Å; T385-F400 HydrophobicContact CG2-CZ 3.97Å; E398-F400 HydrophobicContact CB-CZ 4.25Å; F400-Y402 HydrophobicContact CB-CD2 4.49Å; F400-Y402 HydrophobicContact CB-CE2 3.57Å |
| 401 | I | 97.7 | Very high | 94.8 | Very high | 59 Ų | 59 | 53.9 Ų | 53.9 | 30% | 0.303 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 141.4 | 174.9 | -57 | 176.5 | 0 | 0 | 0 | 109 | R344 L345 K383 | R344-I401 HydrophobicContact CB-CG2 4.34Å; R344-I401 HydrophobicContact CG-CG2 4.18Å; L345-I401 WeakPolarHBondContact O-CA 3.05Å; K383-I401 PolarHBondContact NZ-O 2.73Å |
| 402 | Y | 97.4 | Very high | 95.2 | Very high | 12 Ų | 12 | 52.1 Ų | 52.1 | 5% | 0.047 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 136.8 | 176 | -55.5 | -90.9 | 0 | 0 | 0 | 109.1 | L345 V347 V371 V373 A381 K383 F400 | L345-Y402 PolarHBondContact N-O 3.36Å; L345-Y402 PolarHBondContact O-N 2.38Å; V347-Y402 HydrophobicContact CB-CE2 4.13Å; V347-Y402 HydrophobicContact CG2-CD2 4.01Å; V347-Y402 HydrophobicContact CG2-CE2 3.93Å; V371-Y402 HydrophobicContact CG1-CE2 4.42Å; V371-Y402 WeakPolarHBondContact CG1-OH 3.22Å; V371-Y402 PolarHBondContact O-OH 2.85Å; V373-Y402 HydrophobicContact CB-CD1 4.5Å; V373-Y402 HydrophobicContact CB-CE1 4.48Å; V373-Y402 HydrophobicContact CG2-CD1 3.74Å; V373-Y402 HydrophobicContact CG2-CD2 4Å; V373-Y402 HydrophobicContact CG2-CE1 3.52Å; V373-Y402 HydrophobicContact CG2-CE2 3.81Å; V373-Y402 HydrophobicContact CG2-CG 3.96Å; A381-Y402 HydrophobicContact CB-CD1 3.64Å; A381-Y402 HydrophobicContact CB-CE1 3.59Å; K383-Y402 HydrophobicContact CD-CE1 3.9Å; K383-Y402 HydrophobicContact CG-CE1 4.16Å; F400-Y402 HydrophobicContact CB-CD2 4.49Å; F400-Y402 HydrophobicContact CB-CE2 3.57Å |
| 403 | D | 96.6 | Very high | 95.7 | Very high | 121 Ų | 121 | 51.5 Ų | 51.5 | 65% | 0.647 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 111.4 | -179.4 | -47.5 | -62.4 | 0 | 0 | 0 | 108.2 | H343 | H343-D403 CarbonylContact O-C 3.44Å; H343-D403 VanDerWaalsContact O-CA 3.3Å; H343-D403 WeakPolarHBondContact O-CA 3.25Å |
| 404 | I | 95.6 | Very high | 95.9 | Very high | 6 Ų | 6 | 47.3 Ų | 47.3 | 3% | 0.031 | 26% | 0.264 | C | S | . | . | trans | -132 | 108.8 | -169 | -58.9 | -64.8 | 0 | 0 | 0 | 107.7 | Y338 H343 L345 V373 I380 L409 V412 | Y338-I404 HydrophobicContact CE2-CB 4.24Å; Y338-I404 HydrophobicContact CE2-CG2 4.43Å; Y338-I404 WeakPolarHBondContact CE2-O 3.28Å; Y338-I404 PolarHBondContact OH-O 3.23Å; H343-I404 CarbonylContact C-O 3.5Å; H343-I404 CarbonylContact O-C 3.57Å; H343-I404 PolarHBondContact O-N 3.21Å; L345-I404 HydrophobicContact CB-CB 4.41Å; L345-I404 HydrophobicContact CB-CG1 3.94Å; L345-I404 HydrophobicContact CD2-CG1 4.34Å; V373-I404 HydrophobicContact CG1-CD1 4.47Å; I380-I404 HydrophobicContact CD1-CD1 3.76Å; I404-L409 HydrophobicContact CG2-CD1 4.15Å; I404-V412 HydrophobicContact CD1-CG2 4.25Å; I404-V412 HydrophobicContact CG2-CG2 3.99Å | ||
| 405 | P | 95.1 | Very high | 96 | Very high | 43 Ų | 43 | 47.9 Ų | 47.9 | 28% | 0.279 | 27% | 0.267 | S | S | . | . | trans | -60.3 | 145.5 | 173.7 | -22.7 | 33.5 | 0 | 0 | 0 | 112.5 | E407 L408 L409 | P405-E407 WeakPolarHBondContact CB-OE2 3.45Å; P405-E407 PolarHBondContact O-N 2.84Å; P405-E407 VanDerWaalsContact O-N 3.14Å; P405-L408 HydrophobicContact CB-CG 4.38Å; P405-L408 HydrophobicContact CG-CD1 4.29Å; P405-L408 HydrophobicContact CG-CG 4.49Å; P405-L408 PolarHBondContact O-N 2.9Å; P405-L409 PolarHBondContact O-N 2.89Å | ||
| 406 | P | 93.2 | Very high | 96 | Very high | 46 Ų | 46 | 44.4 Ų | 44.4 | 30% | 0.299 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -54.8 | -33.3 | -177.2 | -26.7 | 34.5 | 0 | 0 | 0 | 113.9 | Y338 P340 L408 L409 | Y338-P406 WeakPolarHBondContact OH-CA 3.3Å; Y338-P406 WeakPolarHBondContact OH-CD 2.92Å; Y338-P406 VanDerWaalsContact OH-N 3.16Å; P340-P406 HydrophobicContact CB-CG 4.45Å; P406-L408 VanDerWaalsContact C-N 3.27Å; P406-L408 PolarHBondContact O-N 2.79Å; P406-L409 WeakPolarHBondContact O-CB 3.05Å; P406-L409 PolarHBondContact O-N 3.35Å |
| 407 | E | 92.8 | Very high | 96 | Very high | 136 Ų | 136 | 44.5 Ų | 44.5 | 64% | 0.636 | 25% | 0.246 | S | C | * | . | G | 310 helix | trans | -66.9 | -28.9 | -177.8 | -51.3 | 71.4 | -152.8 | 0 | 0 | 111.9 | P405 | P405-E407 WeakPolarHBondContact CB-OE2 3.45Å; P405-E407 PolarHBondContact O-N 2.84Å; P405-E407 VanDerWaalsContact O-N 3.14Å |
| 408 | L | 92.8 | Very high | 95.9 | Very high | 62 Ų | 62 | 39.5 Ų | 39.5 | 33% | 0.325 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -92.7 | -14.8 | -178.5 | -51.4 | -169.9 | 0 | 0 | 0 | 112.7 | Y375 P405 P406 D411 V412 | Y375-L408 HydrophobicContact CD2-CB 4.04Å; Y375-L408 HydrophobicContact CE2-CB 3.87Å; Y375-L408 HydrophobicContact CE2-CD1 4.48Å; Y375-L408 HydrophobicContact CE2-CD2 3.75Å; Y375-L408 HydrophobicContact CE2-CG 4.22Å; P405-L408 HydrophobicContact CB-CG 4.38Å; P405-L408 HydrophobicContact CG-CD1 4.29Å; P405-L408 HydrophobicContact CG-CG 4.49Å; P405-L408 PolarHBondContact O-N 2.9Å; P406-L408 VanDerWaalsContact C-N 3.27Å; P406-L408 PolarHBondContact O-N 2.79Å; L408-D411 PolarHBondContact O-N 3.21Å; L408-V412 WeakPolarHBondContact O-CG2 3.36Å; L408-V412 PolarHBondContact O-N 2.63Å |
| 409 | L | 92.9 | Very high | 95.7 | Very high | 16 Ų | 16 | 38.3 Ų | 38.3 | 8% | 0.084 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -56.4 | -38 | -174.7 | -170.9 | 71.9 | 0 | 0 | 0 | 114.5 | Y338 I404 P405 P406 D411 V412 W448 C452 | Y338-L409 HydrophobicContact CD1-CD1 4.42Å; Y338-L409 HydrophobicContact CD1-CD2 3.5Å; Y338-L409 VanDerWaalsContact CD1-CD2 3.5Å; Y338-L409 HydrophobicContact CD2-CD1 3.85Å; Y338-L409 HydrophobicContact CD2-CD2 4.42Å; Y338-L409 HydrophobicContact CE1-CD2 3.71Å; Y338-L409 HydrophobicContact CE2-CD1 4.06Å; Y338-L409 HydrophobicContact CG-CD1 4.05Å; Y338-L409 HydrophobicContact CG-CD2 3.89Å; I404-L409 HydrophobicContact CG2-CD1 4.15Å; P405-L409 PolarHBondContact O-N 2.89Å; P406-L409 WeakPolarHBondContact O-CB 3.05Å; P406-L409 PolarHBondContact O-N 3.35Å; L409-D411 VanDerWaalsContact C-N 3.31Å; L409-D411 PolarHBondContact O-N 2.96Å; L409-V412 PolarHBondContact O-N 3.21Å; L409-W448 HydrophobicContact CD1-CH2 4.14Å; L409-W448 HydrophobicContact CD1-CZ2 3.95Å; L409-W448 HydrophobicContact CG-CZ2 4.42Å; L409-C452 HydrophobicContact CD2-CB 4.5Å |
| 410 | P | 92 | Very high | 95.3 | Very high | 72 Ų | 72 | 34.9 Ų | 34.9 | 47% | 0.468 | 19% | 0.189 | S | C | . | . | G | 310 helix | trans | -60.2 | -38.4 | 178.6 | -25.1 | 36.1 | 0 | 0 | 0 | 113.7 | ||
| 411 | D | 93.8 | Very high | 94.9 | Very high | 78 Ų | 78 | 37.6 Ų | 37.6 | 42% | 0.417 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -90.3 | -0.7 | -177.9 | -69.9 | -51.9 | 0 | 0 | 0 | 113.8 | Y375 G376 L408 L409 | Y375-D411 HydrophobicContact CD2-CB 3.85Å; Y375-D411 HydrophobicContact CE2-CB 3.66Å; G376-D411 PolarHBondContact N-O 3Å; L408-D411 PolarHBondContact O-N 3.21Å; L409-D411 VanDerWaalsContact C-N 3.31Å; L409-D411 PolarHBondContact O-N 2.96Å |
| 412 | V | 96.9 | Very high | 94 | Very high | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.012 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 141.6 | 176.3 | 165.3 | 0 | 0 | 0 | 0 | 110.9 | L345 V373 F374 Y375 I404 L408 L409 W448 | L345-V412 HydrophobicContact CD2-CG1 4.36Å; V373-V412 HydrophobicContact CG1-CG1 3.88Å; F374-V412 VanDerWaalsContact O-CA 3.29Å; F374-V412 WeakPolarHBondContact O-CA 3.36Å; Y375-V412 HydrophobicContact CD2-CG2 4.39Å; I404-V412 HydrophobicContact CD1-CG2 4.25Å; I404-V412 HydrophobicContact CG2-CG2 3.99Å; L408-V412 WeakPolarHBondContact O-CG2 3.36Å; L408-V412 PolarHBondContact O-N 2.63Å; L409-V412 PolarHBondContact O-N 3.21Å; V412-W448 HydrophobicContact CB-CH2 4.33Å; V412-W448 HydrophobicContact CB-CZ2 4.06Å; V412-W448 HydrophobicContact CG1-CH2 3.71Å; V412-W448 HydrophobicContact CG1-CZ2 3.95Å; V412-W448 VanDerWaalsContact O-CZ2 3.31Å; V412-W448 WeakPolarHBondContact O-CZ2 3.4Å |
| 413 | S | 97.1 | Very high | 92.9 | Very high | 21 Ų | 21 | 47.8 Ų | 47.8 | 15% | 0.147 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 149.1 | 167.2 | 58.2 | 0 | 0 | 0 | 0 | 111.9 | V373 F374 L435 | V373-S413 WeakPolarHBondContact CA-O 3.37Å; F374-S413 PolarHBondContact N-O 2.87Å; F374-S413 PolarHBondContact O-N 2.87Å; S413-L435 CarbonylContact C-O 3.57Å; S413-L435 VanDerWaalsContact CA-O 3.25Å; S413-L435 WeakPolarHBondContact CA-O 3.18Å; S413-L435 WeakPolarHBondContact CB-O 3.19Å |
| 414 | V | 97.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 114.2 | -177.7 | -174 | 0 | 0 | 0 | 0 | 108.9 | L345 V347 V371 V373 F416 L435 W448 | L345-V414 HydrophobicContact CD2-CG2 3.96Å; V347-V414 HydrophobicContact CG1-CG1 4.09Å; V347-V414 HydrophobicContact CG2-CG1 4.34Å; V347-V414 HydrophobicContact CG2-CG2 4.4Å; V371-V414 HydrophobicContact CG1-CG1 3.72Å; V373-V414 HydrophobicContact CG2-CG2 4.4Å; V414-F416 HydrophobicContact CB-CE2 4.21Å; V414-F416 HydrophobicContact CG1-CD2 4.36Å; V414-F416 HydrophobicContact CG1-CE1 4.39Å; V414-F416 HydrophobicContact CG1-CE2 3.63Å; V414-F416 HydrophobicContact CG1-CZ 3.66Å; V414-L435 PolarHBondContact N-O 3.39Å; V414-L435 PolarHBondContact O-N 3.09Å; V414-W448 HydrophobicContact CG2-CH2 4.27Å; V414-W448 HydrophobicContact CG2-CZ3 3.84Å |
| 415 | E | 97.3 | Very high | 90.4 | Very high | 13 Ų | 13 | 52.5 Ų | 52.5 | 6% | 0.061 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 129 | 177.3 | 179.4 | -171.2 | -109.2 | 0 | 0 | 110.3 | V371 N372 F374 L417 R432 L433 L434 | V371-E415 CarbonylContact C-O 3.54Å; V371-E415 WeakPolarHBondContact CA-O 3.37Å; N372-E415 HydrophobicContact CB-CB 4.25Å; N372-E415 PolarHBondContact N-O 2.85Å; N372-E415 PolarHBondContact ND2-OE2 2.89Å; N372-E415 PolarHBondContact O-N 3.13Å; F374-E415 HydrophobicContact CD2-CB 4.4Å; F374-E415 HydrophobicContact CE2-CB 3.89Å; E415-L417 HydrophobicContact CG-CD2 3.77Å; E415-L417 HydrophobicContact CG-CG 4.13Å; E415-R432 HydrophobicContact CG-CG 4.49Å; E415-R432 IonicContact OE1-CZ 3.99Å; E415-R432 IonicContact OE1-NE 2.78Å; E415-R432 PolarHBondContact OE1-NE 3.2Å; E415-R432 IonicContact OE1-NH2 2.94Å; E415-R432 PolarHBondContact OE1-NH2 2.94Å; E415-L433 CarbonylContact C-O 3.56Å; E415-L433 WeakPolarHBondContact CA-O 3.49Å; E415-L434 HydrophobicContact CB-CD1 3.83Å |
| 416 | F | 97.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 119.2 | 171.9 | -52.6 | -102.7 | 0 | 0 | 0 | 108.1 | L332 A334 L336 V347 V349 V369 K370 V371 V414 R432 L433 L435 | L332-F416 HydrophobicContact CD2-CB 3.66Å; L332-F416 HydrophobicContact CD2-CD1 4.05Å; L332-F416 HydrophobicContact CD2-CG 3.93Å; A334-F416 HydrophobicContact CB-CE1 4.17Å; A334-F416 HydrophobicContact CB-CE2 4.42Å; A334-F416 HydrophobicContact CB-CZ 3.97Å; L336-F416 HydrophobicContact CD1-CZ 4.1Å; V347-F416 HydrophobicContact CG1-CE1 3.58Å; V347-F416 HydrophobicContact CG1-CZ 3.5Å; V347-F416 VanDerWaalsContact CG1-CZ 3.5Å; V349-F416 HydrophobicContact CG2-CD1 4.03Å; V349-F416 HydrophobicContact CG2-CE1 3.98Å; V369-F416 HydrophobicContact CG1-CB 3.86Å; V369-F416 HydrophobicContact CG1-CD1 4.13Å; K370-F416 WeakPolarHBondContact O-CA 3.46Å; V371-F416 HydrophobicContact CG1-CD1 4.48Å; V371-F416 HydrophobicContact CG1-CE1 4.28Å; V371-F416 HydrophobicContact CG2-CD1 3.88Å; V371-F416 HydrophobicContact CG2-CE1 4.13Å; V414-F416 HydrophobicContact CB-CE2 4.21Å; V414-F416 HydrophobicContact CG1-CD2 4.36Å; V414-F416 HydrophobicContact CG1-CE1 4.39Å; V414-F416 HydrophobicContact CG1-CE2 3.63Å; V414-F416 HydrophobicContact CG1-CZ 3.66Å; F416-R432 CarbonylContact O-C 3.54Å; F416-R432 WeakPolarHBondContact O-CA 3.44Å; F416-L433 HydrophobicContact CB-CB 4.24Å; F416-L433 HydrophobicContact CD2-CB 4.34Å; F416-L433 HydrophobicContact CD2-CD2 3.9Å; F416-L433 HydrophobicContact CD2-CG 4.05Å; F416-L433 HydrophobicContact CE2-CD2 4.37Å; F416-L433 HydrophobicContact CG-CD2 4.46Å; F416-L433 PolarHBondContact N-O 3.43Å; F416-L433 PolarHBondContact O-N 3.45Å; F416-L435 HydrophobicContact CE2-CD1 3.74Å; F416-L435 HydrophobicContact CE2-CG 3.95Å; F416-L435 HydrophobicContact CZ-CD1 4.28Å |
| 417 | L | 96.7 | Very high | 89.2 | Confident | 12 Ų | 12 | 59.8 Ų | 59.8 | 6% | 0.063 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 110.7 | 169.9 | -54 | -178.6 | 0 | 0 | 0 | 107.8 | V369 K370 E415 V419 R432 F468 | V369-L417 CarbonylContact C-O 3.5Å; V369-L417 WeakPolarHBondContact CA-O 3.36Å; K370-L417 HydrophobicContact CB-CB 4.29Å; K370-L417 PolarHBondContact N-O 2.74Å; K370-L417 PolarHBondContact O-N 2.84Å; E415-L417 HydrophobicContact CG-CD2 3.77Å; E415-L417 HydrophobicContact CG-CG 4.13Å; L417-V419 HydrophobicContact CB-CG2 4.03Å; L417-R432 HydrophobicContact CD2-CB 4.02Å; L417-R432 HydrophobicContact CD2-CG 3.76Å; L417-F468 HydrophobicContact CD1-CD2 4.15Å; L417-F468 HydrophobicContact CD1-CE2 3.67Å; L417-F468 HydrophobicContact CD1-CZ 4.48Å; L417-F468 HydrophobicContact CD2-CD2 3.47Å; L417-F468 VanDerWaalsContact CD2-CD2 3.47Å; L417-F468 HydrophobicContact CD2-CE2 3.74Å; L417-F468 HydrophobicContact CG-CD2 4.45Å; L417-F468 HydrophobicContact CG-CE2 4.37Å |
| 418 | V | 95.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 127.5 | 168.3 | -168.4 | 0 | 0 | 0 | 0 | 107 | L332 L355 P367 V369 V429 L430 G431 L465 | L332-V418 HydrophobicContact CD2-CG2 4.25Å; L355-V418 HydrophobicContact CD1-CG1 4.13Å; L355-V418 HydrophobicContact CD2-CG1 3.96Å; P367-V418 HydrophobicContact CB-CG1 4.36Å; V369-V418 HydrophobicContact CG2-CG2 4.14Å; V418-V429 CarbonylContact O-C 3.46Å; V418-L430 HydrophobicContact CB-CB 4.26Å; V418-L430 HydrophobicContact CG1-CB 4.08Å; V418-L430 HydrophobicContact CG1-CD1 4.04Å; V418-L430 PolarHBondContact O-N 3.09Å; V418-G431 PolarHBondContact N-O 3.14Å; V418-G431 PolarHBondContact O-N 2.82Å; V418-G431 VanDerWaalsContact O-N 3.16Å; V418-L465 HydrophobicContact CB-CD1 4.23Å; V418-L465 HydrophobicContact CG2-CD1 3.68Å; V418-L465 HydrophobicContact CG2-CD2 3.77Å; V418-L465 HydrophobicContact CG2-CG 4.41Å |
| 419 | V | 93.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 134.9 | -167.5 | 179.7 | 0 | 0 | 0 | 0 | 108.2 | P367 Y368 K370 L417 N427 E428 V429 | P367-V419 WeakPolarHBondContact CA-O 3.12Å; Y368-V419 HydrophobicContact CD1-CB 4.23Å; Y368-V419 HydrophobicContact CD1-CG1 4.44Å; Y368-V419 WeakPolarHBondContact CD1-O 3.45Å; Y368-V419 HydrophobicContact CE1-CB 3.8Å; Y368-V419 HydrophobicContact CE1-CG1 3.58Å; Y368-V419 HydrophobicContact CE2-CB 4.47Å; Y368-V419 PolarHBondContact N-O 2.96Å; Y368-V419 PolarHBondContact O-N 2.83Å; K370-V419 HydrophobicContact CD-CG2 3.96Å; K370-V419 HydrophobicContact CG-CG2 4.44Å; L417-V419 HydrophobicContact CB-CG2 4.03Å; V419-N427 HydrophobicContact CG1-CB 4.1Å; V419-E428 CarbonylContact C-O 3.34Å; V419-E428 WeakPolarHBondContact CA-O 3.49Å; V419-E428 VanDerWaalsContact CG1-O 3.3Å; V419-E428 WeakPolarHBondContact CG1-O 3.48Å; V419-V429 HydrophobicContact CG2-CG2 4.36Å |
| 420 | D | 90.8 | Very high | 88.5 | Confident | 11 Ų | 11 | 56.1 Ų | 56.1 | 6% | 0.059 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 140.2 | 171.8 | -151.8 | -20.1 | 0 | 0 | 0 | 110.4 | M358 A365 N366 N427 E428 L430 | M358-D420 HydrophobicContact CE-CB 3.75Å; A365-D420 WeakPolarHBondContact CA-OD2 3.3Å; A365-D420 WeakPolarHBondContact CB-OD2 3.12Å; N366-D420 WeakPolarHBondContact CA-OD1 3.25Å; N366-D420 PolarHBondContact N-OD1 3.29Å; D420-N427 WeakPolarHBondContact O-CA 3.35Å; D420-N427 WeakPolarHBondContact O-CB 3.42Å; D420-N427 PolarHBondContact O-OD1 3.14Å; D420-E428 PolarHBondContact N-O 3.32Å; D420-L430 HydrophobicContact CB-CD1 3.93Å; D420-L430 HydrophobicContact CB-CD2 4.32Å; D420-L430 HydrophobicContact CB-CG 3.97Å |
| 421 | F | 88 | Confident | 88.5 | Confident | 80 Ų | 80 | 52.7 Ų | 52.7 | 35% | 0.351 | 26% | 0.26 | S | S | . | . | trans | -101.3 | 105.2 | 175.2 | -177.3 | -98.8 | 0 | 0 | 0 | 111.1 | N366 Y368 V387 R423 N427 | N366-F421 HydrophobicContact CB-CB 4.11Å; N366-F421 WeakPolarHBondContact CB-O 3.07Å; N366-F421 PolarHBondContact ND2-O 2.87Å; N366-F421 WeakPolarHBondContact O-CB 3.47Å; N366-F421 PolarHBondContact O-N 3.17Å; Y368-F421 HydrophobicContact CD1-CB 3.91Å; Y368-F421 HydrophobicContact CE1-CB 3.87Å; Y368-F421 HydrophobicContact CE1-CD2 4.3Å; V387-F421 HydrophobicContact CG1-CB 3.82Å; V387-F421 HydrophobicContact CG1-CD1 4.27Å; V387-F421 HydrophobicContact CG1-CG 4.25Å; V387-F421 HydrophobicContact CG2-CB 3.98Å; V387-F421 HydrophobicContact CG2-CD1 4.5Å; V387-F421 HydrophobicContact CG2-CD2 4.44Å; V387-F421 HydrophobicContact CG2-CG 4.03Å; F421-R423 HydrophobicContact CE1-CB 4.4Å; F421-N427 VanDerWaalsContact CA-OD1 3.32Å; F421-N427 WeakPolarHBondContact CA-OD1 3.48Å; F421-N427 WeakPolarHBondContact CD2-OD1 3.36Å | ||
| 422 | D | 80.6 | Confident | 88.5 | Confident | 52 Ų | 52 | 51.5 Ų | 51.5 | 28% | 0.278 | 25% | 0.249 | S | C | . | . | trans | -100.4 | 138.8 | 168.3 | -163.5 | -17.7 | 0 | 0 | 0 | 110 | T424 T425 N427 | D422-T424 PolarHBondContact OD1-N 3.15Å; D422-T424 PolarHBondContact OD1-OG1 2.82Å; D422-T424 VanDerWaalsContact OD1-OG1 3.06Å; D422-T425 PolarHBondContact OD1-N 3.02Å; D422-T425 WeakPolarHBondContact OD2-CB 3.34Å; D422-T425 VanDerWaalsContact OD2-CG2 3.26Å; D422-T425 WeakPolarHBondContact OD2-CG2 3.47Å; D422-T425 PolarHBondContact OD2-N 2.79Å; D422-T425 VanDerWaalsContact OD2-N 3.16Å; D422-T425 PolarHBondContact OD2-OG1 3.22Å; D422-N427 PolarHBondContact N-OD1 3.03Å; D422-N427 PolarHBondContact O-OD1 3.32Å | ||
| 423 | R | 72.7 | Confident | 88.4 | Confident | 232 Ų | 232 | 51.5 Ų | 51.5 | 88% | 0.875 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -88.3 | -23.3 | 174.9 | -176.9 | 178.4 | 173.7 | 108.8 | 0.3 | 112 | F421 | F421-R423 HydrophobicContact CE1-CB 4.4Š|
| 424 | T | 68.1 | Low | 88.3 | Confident | 126 Ų | 126 | 51.5 Ų | 51.5 | 77% | 0.773 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -111.9 | -36 | -174 | 58.5 | 0 | 0 | 0 | 0 | 113.3 | D422 | D422-T424 PolarHBondContact OD1-N 3.15Å; D422-T424 PolarHBondContact OD1-OG1 2.82Å; D422-T424 VanDerWaalsContact OD1-OG1 3.06Å |
| 425 | T | 72.5 | Confident | 88.3 | Confident | 100 Ų | 100 | 51.5 Ų | 51.5 | 61% | 0.613 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -105.6 | -160 | 173.6 | 88.9 | 0 | 0 | 0 | 0 | 112.6 | D422 | D422-T425 PolarHBondContact OD1-N 3.02Å; D422-T425 WeakPolarHBondContact OD2-CB 3.34Å; D422-T425 VanDerWaalsContact OD2-CG2 3.26Å; D422-T425 WeakPolarHBondContact OD2-CG2 3.47Å; D422-T425 PolarHBondContact OD2-N 2.79Å; D422-T425 VanDerWaalsContact OD2-N 3.16Å; D422-T425 PolarHBondContact OD2-OG1 3.22Å |
| 426 | K | 77.6 | Confident | 88.1 | Confident | 184 Ų | 184 | 50.9 Ų | 50.9 | 80% | 0.8 | 24% | 0.244 | S | C | * | . | trans | -98 | 116.8 | -175.2 | 177.2 | -166.3 | 171.4 | -168.2 | 0 | 109.9 | E428 | K426-E428 PolarHBondContact O-N 3.44Å; K426-E428 VanDerWaalsContact O-N 3.1Å | ||
| 427 | N | 84.6 | Confident | 87.7 | Confident | 58 Ų | 58 | 55.7 Ų | 55.7 | 31% | 0.31 | 27% | 0.27 | S | S | . | . | trans | -36.7 | 113.8 | 168.9 | -63.2 | -40.9 | 0 | 0 | 0 | 113.1 | V419 D420 F421 D422 | V419-N427 HydrophobicContact CG1-CB 4.1Å; D420-N427 WeakPolarHBondContact O-CA 3.35Å; D420-N427 WeakPolarHBondContact O-CB 3.42Å; D420-N427 PolarHBondContact O-OD1 3.14Å; F421-N427 VanDerWaalsContact CA-OD1 3.32Å; F421-N427 WeakPolarHBondContact CA-OD1 3.48Å; F421-N427 WeakPolarHBondContact CD2-OD1 3.36Å; D422-N427 PolarHBondContact N-OD1 3.03Å; D422-N427 PolarHBondContact O-OD1 3.32Å | ||
| 428 | E | 86.5 | Confident | 87.1 | Confident | 104 Ų | 104 | 62.6 Ų | 62.6 | 49% | 0.486 | 30% | 0.301 | S | S | . | . | trans | -100.5 | 149.4 | -178.5 | 175.9 | 167.7 | -167.8 | 0 | 0 | 111.3 | M358 V419 D420 K426 L430 | M358-E428 HydrophobicContact CE-CB 3.57Å; M358-E428 HydrophobicContact CE-CG 3.54Å; M358-E428 HydrophobicContact SD-CG 4.09Å; V419-E428 CarbonylContact C-O 3.34Å; V419-E428 WeakPolarHBondContact CA-O 3.49Å; V419-E428 VanDerWaalsContact CG1-O 3.3Å; V419-E428 WeakPolarHBondContact CG1-O 3.48Å; D420-E428 PolarHBondContact N-O 3.32Å; K426-E428 PolarHBondContact O-N 3.44Å; K426-E428 VanDerWaalsContact O-N 3.1Å; E428-L430 PolarHBondContact O-N 2.85Å | ||
| 429 | V | 90.3 | Very high | 86.7 | Confident | 34 Ų | 34 | 63.4 Ų | 63.4 | 21% | 0.206 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 108.3 | 179.7 | -175.1 | 0 | 0 | 0 | 0 | 108.8 | R329 V418 V419 G431 F468 | R329-V429 PolarHBondContact NH2-O 3.25Å; V418-V429 CarbonylContact O-C 3.46Å; V419-V429 HydrophobicContact CG2-CG2 4.36Å; V429-G431 VanDerWaalsContact C-N 3.32Å; V429-G431 PolarHBondContact O-N 3.07Å; V429-F468 HydrophobicContact CB-CB 4.3Å; V429-F468 HydrophobicContact CB-CG 4.45Å; V429-F468 HydrophobicContact CG1-CB 3.79Å; V429-F468 HydrophobicContact CG1-CD2 4.37Å; V429-F468 HydrophobicContact CG1-CG 4.06Å; V429-F468 HydrophobicContact CG2-CD1 4.32Å; V429-F468 HydrophobicContact CG2-CG 4.35Å |
| 430 | L | 88.6 | Confident | 86.1 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | -38.3 | 176.3 | -72.7 | 162.9 | 0 | 0 | 0 | 111.2 | R329 L355 P356 M358 P367 V418 D420 E428 | R329-L430 WeakPolarHBondContact CB-O 3.43Å; R329-L430 PolarHBondContact NE-O 2.91Å; R329-L430 PolarHBondContact NH2-O 2.79Å; R329-L430 VanDerWaalsContact NH2-O 3.08Å; L355-L430 HydrophobicContact CD1-CD1 4.39Å; P356-L430 HydrophobicContact CG-CD2 3.84Å; M358-L430 HydrophobicContact CE-CD2 3.59Å; M358-L430 HydrophobicContact CE-CG 4.13Å; M358-L430 HydrophobicContact SD-CD2 3.57Å; M358-L430 VanDerWaalsContact SD-CD2 3.57Å; M358-L430 HydrophobicContact SD-CG 4.49Å; P367-L430 HydrophobicContact CB-CD1 3.87Å; V418-L430 HydrophobicContact CB-CB 4.26Å; V418-L430 HydrophobicContact CG1-CB 4.08Å; V418-L430 HydrophobicContact CG1-CD1 4.04Å; V418-L430 PolarHBondContact O-N 3.09Å; D420-L430 HydrophobicContact CB-CD1 3.93Å; D420-L430 HydrophobicContact CB-CD2 4.32Å; D420-L430 HydrophobicContact CB-CG 3.97Å; E428-L430 PolarHBondContact O-N 2.85Å |
| 431 | G | 91.2 | Very high | 85.5 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 176 | 171.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | V418 V429 S466 | V418-G431 PolarHBondContact N-O 3.14Å; V418-G431 PolarHBondContact O-N 2.82Å; V418-G431 VanDerWaalsContact O-N 3.16Å; V429-G431 VanDerWaalsContact C-N 3.32Å; V429-G431 PolarHBondContact O-N 3.07Å; G431-S466 CarbonylContact C-O 3.56Å; G431-S466 WeakPolarHBondContact CA-O 3.02Å |
| 432 | R | 93.4 | Very high | 85.3 | Confident | 52 Ų | 52 | 70.2 Ų | 70.2 | 20% | 0.196 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 147.4 | -173.9 | 178.9 | 175.3 | -166.5 | -104.5 | -0.8 | 112.3 | E415 F416 L417 L465 S466 D467 F468 | E415-R432 HydrophobicContact CG-CG 4.49Å; E415-R432 IonicContact OE1-CZ 3.99Å; E415-R432 IonicContact OE1-NE 2.78Å; E415-R432 PolarHBondContact OE1-NE 3.2Å; E415-R432 IonicContact OE1-NH2 2.94Å; E415-R432 PolarHBondContact OE1-NH2 2.94Å; F416-R432 CarbonylContact O-C 3.54Å; F416-R432 WeakPolarHBondContact O-CA 3.44Å; L417-R432 HydrophobicContact CD2-CB 4.02Å; L417-R432 HydrophobicContact CD2-CG 3.76Å; R432-L465 CarbonylContact O-C 3.55Å; R432-L465 WeakPolarHBondContact O-CA 3.34Å; R432-S466 PolarHBondContact N-O 3.33Å; R432-S466 PolarHBondContact O-N 3.27Å; R432-S466 PolarHBondContact O-OG 3.23Å; R432-D467 WeakPolarHBondContact CB-O 3.43Å; R432-F468 HydrophobicContact CB-CB 4.41Å |
| 433 | L | 94.9 | Very high | 85.7 | Confident | 2 Ų | 2 | 70.5 Ų | 70.5 | 1% | 0.01 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 139 | 164.8 | 169 | 65.6 | 0 | 0 | 0 | 108.8 | L332 A334 E415 F416 L435 H463 L465 | L332-L433 HydrophobicContact CD2-CD2 4.2Å; A334-L433 HydrophobicContact CB-CD2 4.45Å; E415-L433 CarbonylContact C-O 3.56Å; E415-L433 WeakPolarHBondContact CA-O 3.49Å; F416-L433 HydrophobicContact CB-CB 4.24Å; F416-L433 HydrophobicContact CD2-CB 4.34Å; F416-L433 HydrophobicContact CD2-CD2 3.9Å; F416-L433 HydrophobicContact CD2-CG 4.05Å; F416-L433 HydrophobicContact CE2-CD2 4.37Å; F416-L433 HydrophobicContact CG-CD2 4.46Å; F416-L433 PolarHBondContact N-O 3.43Å; F416-L433 PolarHBondContact O-N 3.45Å; L433-L435 HydrophobicContact CD1-CD2 3.95Å; L433-L435 HydrophobicContact CD2-CD2 4.31Å; L433-L435 HydrophobicContact CD2-CG 4.44Å; L433-L435 HydrophobicContact CG-CD2 4.2Å; L433-L435 HydrophobicContact CG-CG 4.38Å; L433-H463 HydrophobicContact CD1-CB 3.54Å; L433-H463 HydrophobicContact CD2-CB 3.89Å; L433-H463 HydrophobicContact CG-CB 4.33Å; L433-L465 HydrophobicContact CB-CD2 4.06Å |
| 434 | L | 95.6 | Very high | 86.6 | Confident | 21 Ų | 21 | 59.4 Ų | 59.4 | 11% | 0.11 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 125.7 | 171.3 | -175 | 67.8 | 0 | 0 | 0 | 109.8 | E415 S439 | E415-L434 HydrophobicContact CB-CD1 3.83Å; L434-S439 WeakPolarHBondContact O-CB 3.29Å; L434-S439 PolarHBondContact O-OG 3.48Å |
| 435 | L | 96.7 | Very high | 87.8 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 130.6 | 169.5 | -54.9 | -176.8 | 0 | 0 | 0 | 108.2 | L336 S413 V414 F416 L433 G444 H447 W448 | L336-L435 HydrophobicContact CD1-CD1 3.59Å; L336-L435 HydrophobicContact CD2-CD1 3.85Å; L336-L435 HydrophobicContact CG-CD1 4.41Å; S413-L435 CarbonylContact C-O 3.57Å; S413-L435 VanDerWaalsContact CA-O 3.25Å; S413-L435 WeakPolarHBondContact CA-O 3.18Å; S413-L435 WeakPolarHBondContact CB-O 3.19Å; V414-L435 PolarHBondContact N-O 3.39Å; V414-L435 PolarHBondContact O-N 3.09Å; F416-L435 HydrophobicContact CE2-CD1 3.74Å; F416-L435 HydrophobicContact CE2-CG 3.95Å; F416-L435 HydrophobicContact CZ-CD1 4.28Å; L433-L435 HydrophobicContact CD1-CD2 3.95Å; L433-L435 HydrophobicContact CD2-CD2 4.31Å; L433-L435 HydrophobicContact CD2-CG 4.44Å; L433-L435 HydrophobicContact CG-CD2 4.2Å; L433-L435 HydrophobicContact CG-CG 4.38Å; L435-G444 VanDerWaalsContact CD2-CA 3.5Å; L435-H447 HydrophobicContact CD2-CB 4.29Å; L435-W448 HydrophobicContact CB-CE3 4.23Å |
| 436 | G | 94.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 161.1 | 168.4 | -173.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | H438 S439 | G436-H438 VanDerWaalsContact C-N 3.27Å; G436-H438 PolarHBondContact O-N 3.46Å; G436-S439 PolarHBondContact O-N 3.5Å |
| 437 | L | 89.1 | Confident | 89.7 | Confident | 102 Ų | 102 | 43.3 Ų | 43.3 | 53% | 0.534 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -42.2 | 178.6 | -177.7 | 61.5 | 0 | 0 | 0 | 112.2 | ||
| 438 | H | 84.2 | Confident | 90.3 | Very high | 157 Ų | 157 | 40.9 Ų | 40.9 | 73% | 0.727 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.5 | 40.3 | 178.8 | -53.1 | -59.8 | 0 | 0 | 0 | 112.8 | G436 | G436-H438 VanDerWaalsContact C-N 3.27Å; G436-H438 PolarHBondContact O-N 3.46Å |
| 439 | S | 87.1 | Confident | 90.7 | Very high | 16 Ų | 16 | 42.9 Ų | 42.9 | 11% | 0.112 | 24% | 0.235 | C | C | . | . | trans | -66.1 | 131.7 | 170.7 | -176.8 | 0 | 0 | 0 | 0 | 110.5 | L434 G436 C441 | L434-S439 WeakPolarHBondContact O-CB 3.29Å; L434-S439 PolarHBondContact O-OG 3.48Å; G436-S439 PolarHBondContact O-N 3.5Å; S439-C441 PolarHBondContact O-N 3.48Å; S439-C441 PolarHBondContact OG-N 2.92Å; S439-C441 PolarHBondContact OG-O 3.48Å | ||
| 440 | P | 80.3 | Confident | 91 | Very high | 92 Ų | 92 | 43.4 Ų | 43.4 | 60% | 0.597 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -69.4 | -10.8 | 174.8 | 31.1 | -36.9 | 0 | 0 | 0 | 112.8 | ||
| 441 | C | 79.5 | Confident | 91.4 | Very high | 37 Ų | 37 | 43.5 Ų | 43.5 | 25% | 0.25 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -108.3 | 120.9 | 177.3 | -58.9 | 0 | 0 | 0 | 0 | 109.3 | S439 S443 G444 A445 | S439-C441 PolarHBondContact O-N 3.48Å; S439-C441 PolarHBondContact OG-N 2.92Å; S439-C441 PolarHBondContact OG-O 3.48Å; C441-S443 PolarHBondContact O-N 2.82Å; C441-S443 VanDerWaalsContact O-N 3.09Å; C441-G444 WeakPolarHBondContact O-CA 3.28Å; C441-G444 PolarHBondContact O-N 3.04Å; C441-A445 PolarHBondContact O-N 3.35Å |
| 442 | P | 83.6 | Confident | 91.6 | Very high | 105 Ų | 105 | 45.9 Ų | 45.9 | 68% | 0.682 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -54.7 | -32.7 | -179.9 | -29.7 | 36.1 | 0 | 0 | 0 | 114.3 | G444 A445 S446 | P442-G444 VanDerWaalsContact C-N 3.34Å; P442-G444 PolarHBondContact O-N 3.21Å; P442-A445 PolarHBondContact O-N 3.38Å; P442-S446 WeakPolarHBondContact O-CB 3.34Å; P442-S446 PolarHBondContact O-N 3.09Å |
| 443 | S | 88.9 | Confident | 91.6 | Very high | 58 Ų | 58 | 49.4 Ų | 49.4 | 41% | 0.406 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.4 | -36.1 | 174.1 | 63.3 | 0 | 0 | 0 | 0 | 112.9 | C441 H447 H463 | C441-S443 PolarHBondContact O-N 2.82Å; C441-S443 VanDerWaalsContact O-N 3.09Å; S443-H447 WeakPolarHBondContact O-CB 3.49Å; S443-H447 PolarHBondContact O-N 3.41Å; S443-H463 WeakPolarHBondContact CB-CE1 3.42Å; S443-H463 PolarHBondContact O-NE2 3.21Å; S443-H463 PolarHBondContact OG-CE1 2.92Å; S443-H463 PolarHBondContact OG-ND1 3.27Å |
| 444 | G | 91.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -71.2 | -40.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L435 C441 P442 H447 W448 H463 | L435-G444 VanDerWaalsContact CD2-CA 3.5Å; C441-G444 WeakPolarHBondContact O-CA 3.28Å; C441-G444 PolarHBondContact O-N 3.04Å; P442-G444 VanDerWaalsContact C-N 3.34Å; P442-G444 PolarHBondContact O-N 3.21Å; G444-H447 PolarHBondContact O-N 3.45Å; G444-W448 PolarHBondContact O-N 3.38Å; G444-H463 WeakPolarHBondContact CA-NE2 3.46Å; G444-H463 PolarHBondContact N-CE1 3.19Å; G444-H463 VanDerWaalsContact N-CE1 3.28Å; G444-H463 PolarHBondContact N-NE2 2.95Å |
| 445 | A | 92.4 | Very high | 91.5 | Very high | 20 Ų | 20 | 52.8 Ų | 52.8 | 17% | 0.165 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.2 | -43 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | C441 P442 W448 R449 | C441-A445 PolarHBondContact O-N 3.35Å; P442-A445 PolarHBondContact O-N 3.38Å; A445-W448 PolarHBondContact O-N 3.05Å; A445-R449 WeakPolarHBondContact O-CB 3.35Å; A445-R449 PolarHBondContact O-N 2.76Å |
| 446 | S | 94.8 | Very high | 91.4 | Very high | 51 Ų | 51 | 61 Ų | 61 | 36% | 0.357 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.7 | -43.1 | 174.8 | 168.3 | 0 | 0 | 0 | 0 | 112.6 | P442 R449 E450 | P442-S446 WeakPolarHBondContact O-CB 3.34Å; P442-S446 PolarHBondContact O-N 3.09Å; S446-R449 PolarHBondContact O-N 2.93Å; S446-E450 PolarHBondContact O-N 3.2Å; S446-E450 VanDerWaalsContact O-N 3.09Å |
| 447 | H | 96.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -65.5 | -43.6 | 176.9 | -171.2 | -174.4 | 0 | 0 | 0 | 111.7 | L435 S443 G444 E450 V451 K461 H463 | L435-H447 HydrophobicContact CD2-CB 4.29Å; S443-H447 WeakPolarHBondContact O-CB 3.49Å; S443-H447 PolarHBondContact O-N 3.41Å; G444-H447 PolarHBondContact O-N 3.45Å; H447-E450 PolarHBondContact O-N 3.32Å; H447-V451 VanDerWaalsContact O-CG2 3.3Å; H447-V451 WeakPolarHBondContact O-CG2 3.4Å; H447-V451 PolarHBondContact O-N 2.86Å; H447-K461 HydrophobicContact CB-CD 3.95Å; H447-H463 WeakPolarHBondContact CB-NE2 3.33Å; H447-H463 AromaticContact CG-NE2 3.66Å; H447-H463 AromaticContact ND1-NE2 3.62Å |
| 448 | W | 96.9 | Very high | 91.8 | Very high | 7 Ų | 7 | 68.3 Ų | 68.3 | 3% | 0.027 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.3 | -45 | 176.4 | -172.3 | -106.9 | 0 | 0 | 0 | 112.1 | L336 L345 L409 V412 V414 L435 G444 A445 E450 V451 C452 | L336-W448 HydrophobicContact CD2-CE3 3.65Å; L336-W448 HydrophobicContact CD2-CZ3 3.58Å; L345-W448 HydrophobicContact CD1-CH2 4.41Å; L345-W448 HydrophobicContact CD1-CZ3 4.43Å; L345-W448 HydrophobicContact CD2-CH2 3.92Å; L345-W448 HydrophobicContact CD2-CZ3 4.25Å; L409-W448 HydrophobicContact CD1-CH2 4.14Å; L409-W448 HydrophobicContact CD1-CZ2 3.95Å; L409-W448 HydrophobicContact CG-CZ2 4.42Å; V412-W448 HydrophobicContact CB-CH2 4.33Å; V412-W448 HydrophobicContact CB-CZ2 4.06Å; V412-W448 HydrophobicContact CG1-CH2 3.71Å; V412-W448 HydrophobicContact CG1-CZ2 3.95Å; V412-W448 VanDerWaalsContact O-CZ2 3.31Å; V412-W448 WeakPolarHBondContact O-CZ2 3.4Å; V414-W448 HydrophobicContact CG2-CH2 4.27Å; V414-W448 HydrophobicContact CG2-CZ3 3.84Å; L435-W448 HydrophobicContact CB-CE3 4.23Å; G444-W448 PolarHBondContact O-N 3.38Å; A445-W448 PolarHBondContact O-N 3.05Å; W448-E450 PolarHBondContact O-N 3.13Å; W448-V451 WeakPolarHBondContact O-CB 3.35Å; W448-V451 PolarHBondContact O-N 3.22Å; W448-C452 PolarHBondContact O-N 3.28Å; W448-C452 VanDerWaalsContact O-N 3.14Å; W448-C452 PolarHBondContact O-SG 3.35Å |
| 449 | R | 95.9 | Very high | 92.5 | Very high | 147 Ų | 147 | 61.2 Ų | 61.2 | 56% | 0.555 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -58.3 | -48.5 | 177.4 | -166 | -168.6 | -62.6 | 144.8 | 0.8 | 111.9 | A445 S446 V451 C452 E453 | A445-R449 WeakPolarHBondContact O-CB 3.35Å; A445-R449 PolarHBondContact O-N 2.76Å; S446-R449 PolarHBondContact O-N 2.93Å; R449-V451 VanDerWaalsContact C-N 3.25Å; R449-V451 PolarHBondContact O-N 2.97Å; R449-C452 PolarHBondContact O-N 3.3Å; R449-C452 VanDerWaalsContact O-N 3.07Å; R449-E453 WeakPolarHBondContact CD-OE1 3.32Å; R449-E453 HydrophobicContact CG-CG 4.25Å; R449-E453 VanDerWaalsContact CG-OE1 3.26Å; R449-E453 WeakPolarHBondContact CG-OE1 3.25Å; R449-E453 WeakPolarHBondContact O-CG 3.31Å; R449-E453 PolarHBondContact O-N 3.27Å |
| 450 | E | 96.4 | Very high | 93 | Very high | 45 Ų | 45 | 63.5 Ų | 63.5 | 21% | 0.21 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.3 | -34.4 | -179.4 | -160.2 | -169.6 | 136.7 | 0 | 0 | 112 | S446 H447 W448 E453 N454 I459 K461 | S446-E450 PolarHBondContact O-N 3.2Å; S446-E450 VanDerWaalsContact O-N 3.09Å; H447-E450 PolarHBondContact O-N 3.32Å; W448-E450 PolarHBondContact O-N 3.13Å; E450-E453 PolarHBondContact O-N 2.88Å; E450-N454 VanDerWaalsContact O-CB 3.28Å; E450-N454 WeakPolarHBondContact O-CB 3.29Å; E450-N454 PolarHBondContact O-N 2.99Å; E450-N454 PolarHBondContact O-ND2 3.36Å; E450-I459 VanDerWaalsContact C-CD1 3.42Å; E450-I459 HydrophobicContact CB-CD1 3.88Å; E450-I459 HydrophobicContact CG-CD1 3.62Å; E450-I459 WeakPolarHBondContact O-CD1 3.26Å; E450-K461 WeakPolarHBondContact OE2-CE 3.46Å; E450-K461 IonicContact OE2-NZ 3.91Å; E450-K461 PolarHBondContact OE2-NZ 3.23Å |
| 451 | V | 96.6 | Very high | 93.8 | Very high | 1 Ų | 1 | 61.6 Ų | 61.6 | 1% | 0.006 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.4 | -38.6 | 174.9 | 172 | 0 | 0 | 0 | 0 | 112.3 | L336 H447 W448 R449 I459 | L336-V451 HydrophobicContact CB-CB 4.5Å; L336-V451 HydrophobicContact CB-CG1 4.12Å; L336-V451 HydrophobicContact CB-CG2 3.58Å; L336-V451 HydrophobicContact CD2-CG2 4.39Å; H447-V451 VanDerWaalsContact O-CG2 3.3Å; H447-V451 WeakPolarHBondContact O-CG2 3.4Å; H447-V451 PolarHBondContact O-N 2.86Å; W448-V451 WeakPolarHBondContact O-CB 3.35Å; W448-V451 PolarHBondContact O-N 3.22Å; R449-V451 VanDerWaalsContact C-N 3.25Å; R449-V451 PolarHBondContact O-N 2.97Å; V451-I459 HydrophobicContact CB-CD1 4.47Å; V451-I459 HydrophobicContact CG2-CB 4.23Å; V451-I459 HydrophobicContact CG2-CD1 3.91Å |
| 452 | C | 94.1 | Very high | 94.5 | Very high | 50 Ų | 50 | 64 Ų | 64 | 34% | 0.338 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -71.9 | -39.6 | 174.8 | -63.4 | 0 | 0 | 0 | 0 | 112 | L409 W448 R449 | L409-C452 HydrophobicContact CD2-CB 4.5Å; W448-C452 PolarHBondContact O-N 3.28Å; W448-C452 VanDerWaalsContact O-N 3.14Å; W448-C452 PolarHBondContact O-SG 3.35Å; R449-C452 PolarHBondContact O-N 3.3Å; R449-C452 VanDerWaalsContact O-N 3.07Å |
| 453 | E | 95.3 | Very high | 95 | Very high | 127 Ų | 127 | 59.2 Ų | 59.2 | 59% | 0.593 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -71.4 | -26.1 | 179.2 | -71.2 | 167 | 166.2 | 0 | 0 | 113.3 | R449 E450 P455 | R449-E453 WeakPolarHBondContact CD-OE1 3.32Å; R449-E453 HydrophobicContact CG-CG 4.25Å; R449-E453 VanDerWaalsContact CG-OE1 3.26Å; R449-E453 WeakPolarHBondContact CG-OE1 3.25Å; R449-E453 WeakPolarHBondContact O-CG 3.31Å; R449-E453 PolarHBondContact O-N 3.27Å; E450-E453 PolarHBondContact O-N 2.88Å; E453-P455 VanDerWaalsContact O-CD 3.23Å; E453-P455 WeakPolarHBondContact O-CD 3.3Å |
| 454 | N | 95.4 | Very high | 95.2 | Very high | 45 Ų | 45 | 60.7 Ų | 60.7 | 24% | 0.241 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -117.5 | 65.6 | -176.4 | -64.5 | -113.5 | 0 | 0 | 0 | 112 | E450 R457 I459 | E450-N454 VanDerWaalsContact O-CB 3.28Å; E450-N454 WeakPolarHBondContact O-CB 3.29Å; E450-N454 PolarHBondContact O-N 2.99Å; E450-N454 PolarHBondContact O-ND2 3.36Å; N454-R457 HydrophobicContact CB-CB 3.75Å; N454-R457 HydrophobicContact CB-CG 4.36Å; N454-R457 WeakPolarHBondContact O-CB 3.3Å; N454-R457 PolarHBondContact O-N 3.35Å; N454-R457 VanDerWaalsContact O-N 3.09Å; N454-R457 WeakPolarHBondContact OD1-CD 3.5Å; N454-R457 PolarHBondContact OD1-NH1 2.89Å; N454-I459 HydrophobicContact CB-CD1 4.22Å |
| 455 | P | 92.6 | Very high | 95.1 | Very high | 48 Ų | 48 | 61 Ų | 61 | 31% | 0.312 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | 141.1 | -178.7 | 25.5 | -34.7 | 0 | 0 | 0 | 112.4 | P340 E453 R457 | P340-P455 HydrophobicContact CG-CB 3.75Å; E453-P455 VanDerWaalsContact O-CD 3.23Å; E453-P455 WeakPolarHBondContact O-CD 3.3Å; P455-R457 PolarHBondContact O-N 2.83Å |
| 456 | R | 93.6 | Very high | 94.8 | Very high | 174 Ų | 174 | 61.7 Ų | 61.7 | 66% | 0.657 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68 | -11 | -170.8 | -51.4 | 160.4 | -67.3 | -124.7 | -3.1 | 115.6 | Y338 Q339 | Y338-R456 PolarHBondContact O-N 2.84Å; Q339-R456 HydrophobicContact CG-CG 4.42Å |
| 457 | R | 96.3 | Very high | 93.9 | Very high | 137 Ų | 137 | 62.6 Ų | 62.6 | 52% | 0.517 | 30% | 0.295 | S | S | . | . | trans | -70.9 | 141 | 170.8 | -168 | 177.2 | 179 | 174.3 | -3.6 | 109 | S337 N454 P455 I459 | S337-R457 WeakPolarHBondContact CB-O 3.48Å; S337-R457 PolarHBondContact OG-O 2.94Å; N454-R457 HydrophobicContact CB-CB 3.75Å; N454-R457 HydrophobicContact CB-CG 4.36Å; N454-R457 WeakPolarHBondContact O-CB 3.3Å; N454-R457 PolarHBondContact O-N 3.35Å; N454-R457 VanDerWaalsContact O-N 3.09Å; N454-R457 WeakPolarHBondContact OD1-CD 3.5Å; N454-R457 PolarHBondContact OD1-NH1 2.89Å; P455-R457 PolarHBondContact O-N 2.83Å; R457-I459 HydrophobicContact CG-CG1 4.12Å | ||
| 458 | Q | 96.6 | Very high | 92.3 | Very high | 118 Ų | 118 | 69.7 Ų | 69.7 | 55% | 0.551 | 33% | 0.326 | S | S | * | . | trans | -94.6 | 124.2 | 165.6 | -176 | 172.4 | -0.4 | 0 | 0 | 108.7 | S335 | S335-Q458 WeakPolarHBondContact OG-CG 3.43Å; S335-Q458 PolarHBondContact OG-NE2 3.17Å | ||
| 459 | I | 98 | Very high | 92.1 | Very high | 8 Ų | 8 | 72.9 Ų | 72.9 | 4% | 0.041 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 143.3 | -179.5 | -59.6 | 168.9 | 0 | 0 | 0 | 107.6 | S335 L336 E450 V451 N454 R457 K461 | S335-I459 CarbonylContact C-O 3.48Å; S335-I459 WeakPolarHBondContact CA-O 3.23Å; S335-I459 VanDerWaalsContact CB-O 3.25Å; S335-I459 WeakPolarHBondContact CB-O 3.15Å; S335-I459 PolarHBondContact OG-O 2.97Å; L336-I459 PolarHBondContact N-O 3.06Å; L336-I459 PolarHBondContact O-N 2.9Å; E450-I459 VanDerWaalsContact C-CD1 3.42Å; E450-I459 HydrophobicContact CB-CD1 3.88Å; E450-I459 HydrophobicContact CG-CD1 3.62Å; E450-I459 WeakPolarHBondContact O-CD1 3.26Å; V451-I459 HydrophobicContact CB-CD1 4.47Å; V451-I459 HydrophobicContact CG2-CB 4.23Å; V451-I459 HydrophobicContact CG2-CD1 3.91Å; N454-I459 HydrophobicContact CB-CD1 4.22Å; R457-I459 HydrophobicContact CG-CG1 4.12Å; I459-K461 HydrophobicContact CG2-CG 4.34Å |
| 460 | S | 97.7 | Very high | 91.9 | Very high | 63 Ų | 63 | 68.9 Ų | 68.9 | 44% | 0.441 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 124.1 | -179.5 | -58.3 | 0 | 0 | 0 | 0 | 109.3 | A334 S335 | A334-S460 WeakPolarHBondContact O-CA 3.36Å; S335-S460 VanDerWaalsContact CB-OG 3.27Å; S335-S460 WeakPolarHBondContact CB-OG 3.43Å; S335-S460 PolarHBondContact OG-OG 3.14Å; S335-S460 VanDerWaalsContact OG-OG 3.09Å |
| 461 | K | 96.6 | Very high | 91.6 | Very high | 53 Ų | 53 | 70.3 Ų | 70.3 | 23% | 0.23 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 144.1 | 178.1 | -64.5 | -170.4 | -176.3 | 179.5 | 0 | 111.8 | A334 H447 E450 I459 H463 | A334-K461 PolarHBondContact N-O 2.69Å; A334-K461 PolarHBondContact O-N 3.44Å; H447-K461 HydrophobicContact CB-CD 3.95Å; E450-K461 WeakPolarHBondContact OE2-CE 3.46Å; E450-K461 IonicContact OE2-NZ 3.91Å; E450-K461 PolarHBondContact OE2-NZ 3.23Å; I459-K461 HydrophobicContact CG2-CG 4.34Å; K461-H463 PolarHBondContact O-CD2 3.37Å |
| 462 | W | 95.7 | Very high | 91.3 | Very high | 87 Ų | 87 | 74.4 Ų | 74.4 | 33% | 0.33 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 141.1 | 165.8 | -73.4 | 105 | 0 | 0 | 0 | 109.9 | E331 L333 K351 R353 | E331-W462 HydrophobicContact CB-CE3 3.79Å; E331-W462 HydrophobicContact CB-CZ3 4.18Å; L333-W462 HydrophobicContact CB-CD2 3.83Å; L333-W462 HydrophobicContact CB-CE3 3.68Å; L333-W462 HydrophobicContact CB-CH2 4.02Å; L333-W462 HydrophobicContact CB-CZ2 4.15Å; L333-W462 HydrophobicContact CB-CZ3 3.77Å; L333-W462 HydrophobicContact CD1-CD2 4.21Å; L333-W462 HydrophobicContact CD1-CG 4.14Å; L333-W462 HydrophobicContact CD2-CZ2 4.2Å; L333-W462 HydrophobicContact CG-CD2 4.46Å; K351-W462 HydrophobicContact CD-CH2 4.3Å; K351-W462 HydrophobicContact CG-CH2 3.92Å; K351-W462 HydrophobicContact CG-CZ2 4.42Å; R353-W462 HydrophobicContact CB-CH2 4.29Å; R353-W462 HydrophobicContact CB-CZ3 4.41Å; R353-W462 HydrophobicContact CG-CH2 3.8Å; R353-W462 HydrophobicContact CG-CZ3 3.7Å |
| 463 | H | 94.3 | Very high | 91.1 | Very high | 4 Ų | 4 | 75.9 Ų | 75.9 | 2% | 0.019 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 138.9 | 170.1 | -58.8 | -93.1 | 0 | 0 | 0 | 110.2 | E331 L332 L433 S443 G444 H447 K461 | E331-H463 CarbonylContact C-O 3.52Å; E331-H463 WeakPolarHBondContact CA-O 3.36Å; L332-H463 PolarHBondContact N-O 3.35Å; L332-H463 PolarHBondContact O-N 3.29Å; L433-H463 HydrophobicContact CD1-CB 3.54Å; L433-H463 HydrophobicContact CD2-CB 3.89Å; L433-H463 HydrophobicContact CG-CB 4.33Å; S443-H463 WeakPolarHBondContact CB-CE1 3.42Å; S443-H463 PolarHBondContact O-NE2 3.21Å; S443-H463 PolarHBondContact OG-CE1 2.92Å; S443-H463 PolarHBondContact OG-ND1 3.27Å; G444-H463 WeakPolarHBondContact CA-NE2 3.46Å; G444-H463 PolarHBondContact N-CE1 3.19Å; G444-H463 VanDerWaalsContact N-CE1 3.28Å; G444-H463 PolarHBondContact N-NE2 2.95Å; H447-H463 WeakPolarHBondContact CB-NE2 3.33Å; H447-H463 AromaticContact CG-NE2 3.66Å; H447-H463 AromaticContact ND1-NE2 3.62Å; K461-H463 PolarHBondContact O-CD2 3.37Å |
| 464 | N | 91.1 | Very high | 90.9 | Very high | 90 Ų | 90 | 72.5 Ų | 72.5 | 48% | 0.481 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 143.8 | 163.5 | -76.4 | -63.5 | 0 | 0 | 0 | 110.1 | S328 E331 | S328-N464 PolarHBondContact OG-OD1 3.38Å; E331-N464 WeakPolarHBondContact CG-OD1 3.23Å |
| 465 | L | 90.9 | Very high | 90.5 | Very high | 7 Ų | 7 | 74.4 Ų | 74.4 | 4% | 0.037 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -89.3 | 133 | 175 | -67.2 | 164.6 | 0 | 0 | 0 | 110.5 | R329 G330 L332 L355 V418 R432 L433 | R329-L465 HydrophobicContact CB-CB 4.04Å; R329-L465 WeakPolarHBondContact O-CD1 3.46Å; G330-L465 WeakPolarHBondContact O-CB 3.38Å; G330-L465 PolarHBondContact O-N 3.17Å; L332-L465 HydrophobicContact CB-CD1 4.48Å; L332-L465 HydrophobicContact CB-CD2 4.01Å; L332-L465 HydrophobicContact CB-CG 4.34Å; L332-L465 HydrophobicContact CD2-CD2 4.49Å; L355-L465 HydrophobicContact CD2-CD1 3.73Å; V418-L465 HydrophobicContact CB-CD1 4.23Å; V418-L465 HydrophobicContact CG2-CD1 3.68Å; V418-L465 HydrophobicContact CG2-CD2 3.77Å; V418-L465 HydrophobicContact CG2-CG 4.41Å; R432-L465 CarbonylContact O-C 3.55Å; R432-L465 WeakPolarHBondContact O-CA 3.34Å; L433-L465 HydrophobicContact CB-CD2 4.06Å |
| 466 | S | 84.9 | Confident | 90.4 | Very high | 34 Ų | 34 | 76.5 Ų | 76.5 | 24% | 0.238 | 35% | 0.351 | C | S | . | . | B | Isolated β-bridge | trans | -90.6 | 173.7 | 175.5 | 73.9 | 0 | 0 | 0 | 0 | 112.4 | G431 R432 | G431-S466 CarbonylContact C-O 3.56Å; G431-S466 WeakPolarHBondContact CA-O 3.02Å; R432-S466 PolarHBondContact N-O 3.33Å; R432-S466 PolarHBondContact O-N 3.27Å; R432-S466 PolarHBondContact O-OG 3.23Å |
| 467 | D | 77.2 | Confident | 90.1 | Very high | 69 Ų | 69 | 68.3 Ų | 68.3 | 37% | 0.369 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 164 | 159.9 | -75.2 | -20.1 | 0 | 0 | 0 | 112.4 | R329 R432 | R329-D467 VanDerWaalsContact CD-OD1 3.23Å; R329-D467 WeakPolarHBondContact CD-OD1 3.38Å; R329-D467 IonicContact CZ-OD1 3.07Å; R329-D467 IonicContact NE-OD1 2.86Å; R329-D467 IonicContact NH1-OD1 3.22Å; R329-D467 PolarHBondContact NH1-OD1 3.18Å; R432-D467 WeakPolarHBondContact CB-O 3.43Å |
| 468 | F | 62.1 | Low | 89.6 | Confident | 150 Ų | 150 | 62.1 Ų | 62.1 | 66% | 0.658 | 31% | 0.309 | S | S | * | . | trans | -118.3 | 0 | 178.6 | 174.1 | -87.8 | 0 | 0 | 0 | 111.6 | L417 V429 R432 | L417-F468 HydrophobicContact CD1-CD2 4.15Å; L417-F468 HydrophobicContact CD1-CE2 3.67Å; L417-F468 HydrophobicContact CD1-CZ 4.48Å; L417-F468 HydrophobicContact CD2-CD2 3.47Å; L417-F468 VanDerWaalsContact CD2-CD2 3.47Å; L417-F468 HydrophobicContact CD2-CE2 3.74Å; L417-F468 HydrophobicContact CG-CD2 4.45Å; L417-F468 HydrophobicContact CG-CE2 4.37Å; V429-F468 HydrophobicContact CB-CB 4.3Å; V429-F468 HydrophobicContact CB-CG 4.45Å; V429-F468 HydrophobicContact CG1-CB 3.79Å; V429-F468 HydrophobicContact CG1-CD2 4.37Å; V429-F468 HydrophobicContact CG1-CG 4.06Å; V429-F468 HydrophobicContact CG2-CD1 4.32Å; V429-F468 HydrophobicContact CG2-CG 4.35Å; R432-F468 HydrophobicContact CB-CB 4.41Å |
Retrieved 468 of 468 residues in 524.2 ms
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