| 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 | 44.3 | Very low | 54.1 | Low | 233 Ų | 233 | 145.8 Ų | 145.8 | 100% | 1.148 | 80% | 0.801 | S | S | * | * | 0 | 118.5 | 0 | -70 | 158.4 | 104.4 | 0 | 0 | 107.4 | |||||
| 2 | N | 54.7 | Low | 53.4 | Low | 160 Ų | 160 | 142 Ų | 142 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | trans | 58.3 | 136.7 | 162.6 | -53.7 | -10.7 | 0 | 0 | 0 | 117 | ||||
| 3 | S | 51.3 | Low | 53.7 | Low | 93 Ų | 93 | 140.1 Ų | 140.1 | 65% | 0.65 | 80% | 0.795 | S | S | * | * | cis | -173.4 | 138.6 | -8.6 | -136.4 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 4 | L | 57.4 | Low | 53.4 | Low | 135 Ų | 135 | 145.6 Ų | 145.6 | 71% | 0.707 | 81% | 0.806 | S | S | * | * | trans | 63.8 | 105 | 142.1 | -55 | 169.4 | 0 | 0 | 0 | 117.5 | ||||
| 5 | R | 57.6 | Low | 53.1 | Low | 226 Ų | 226 | 140.7 Ų | 140.7 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | 62.1 | 106.5 | 91.1 | -68.8 | -176.4 | -166.1 | -160.8 | 4.1 | 113.5 | |||||
| 6 | N | 57.5 | Low | 53.5 | Low | 152 Ų | 152 | 139 Ų | 139 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | trans | -149.7 | 77.5 | 147.9 | -160.4 | -27.9 | 0 | 0 | 0 | 108.2 | ||||
| 7 | V | 59.4 | Low | 53.7 | Low | 96 Ų | 96 | 140.2 Ų | 140.2 | 58% | 0.582 | 80% | 0.802 | S | S | * | * | 43.5 | 117 | 107.8 | -83.9 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 8 | N | 56.5 | Low | 53.6 | Low | 149 Ų | 149 | 135.9 Ų | 135.9 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | trans | 67.7 | 119.2 | 136.6 | -49.7 | -18.7 | 0 | 0 | 0 | 116.1 | ||||
| 9 | G | 49.6 | Very low | 54 | Low | 74 Ų | 74 | 137.2 Ų | 137.2 | 76% | 0.763 | 80% | 0.795 | S | S | * | * | cis | 106.4 | 92.1 | 48.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 10 | I | 56.1 | Low | 54.2 | Low | 175 Ų | 175 | 140 Ų | 140 | 90% | 0.897 | 80% | 0.798 | S | S | * | * | trans | -131.3 | 108.2 | 164.8 | -54.4 | 179.3 | 0 | 0 | 0 | 106.8 | ||||
| 11 | C | 51.1 | Low | 54.4 | Low | 111 Ų | 111 | 137.7 Ų | 137.7 | 75% | 0.75 | 79% | 0.791 | S | S | * | * | trans | -83.2 | 155.5 | 179 | 179.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 12 | S | 45.4 | Very low | 55 | Low | 100 Ų | 100 | 132.1 Ų | 132.1 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | trans | -48.4 | 141.3 | 180 | -26.7 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 13 | S | 56.9 | Low | 55.1 | Low | 117 Ų | 117 | 128.5 Ų | 128.5 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | -154.2 | 109.4 | 146.2 | 39.8 | 0 | 0 | 0 | 0 | 109.4 | G15 | S13-G15 PolarHBondContact O-N 3.4Š| ||
| 14 | F | 49.4 | Very low | 55.4 | Low | 217 Ų | 217 | 128.7 Ų | 128.7 | 95% | 0.952 | 77% | 0.771 | S | S | * | * | trans | -60.5 | 121.6 | 165.9 | -76.1 | -97.1 | 0 | 0 | 0 | 108.5 | ||||
| 15 | G | 49.4 | Very low | 55.4 | Low | 72 Ų | 72 | 126.2 Ų | 126.2 | 74% | 0.742 | 77% | 0.77 | S | S | * | * | trans | -121.4 | 126.9 | 175 | 0 | 0 | 0 | 0 | 0 | 109.7 | S13 | S13-G15 PolarHBondContact O-N 3.4Š| ||
| 16 | S | 59.3 | Low | 55.3 | Low | 114 Ų | 114 | 126 Ų | 126 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | trans | -57.7 | 136.2 | -171.5 | -37.4 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 17 | I | 56.6 | Low | 55.5 | Low | 159 Ų | 159 | 126.3 Ų | 126.3 | 82% | 0.815 | 77% | 0.771 | S | S | * | * | trans | 30.6 | 97.1 | 138.2 | -49 | 170.7 | 0 | 0 | 0 | 116.3 | I19 | I17-I19 HydrophobicContact CG2-CG1 4.25Š| ||
| 18 | G | 52.8 | Low | 55.6 | Low | 63 Ų | 63 | 126.9 Ų | 126.9 | 65% | 0.649 | 78% | 0.775 | S | S | * | * | trans | -112.4 | 111.7 | 151.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | F20 | G18-F20 VanDerWaalsContact C-N 3.31Å; G18-F20 PolarHBondContact O-N 2.89Å | ||
| 19 | I | 60.5 | Low | 55.6 | Low | 161 Ų | 161 | 127.9 Ų | 127.9 | 83% | 0.826 | 78% | 0.776 | S | S | * | * | trans | -64.2 | 92.4 | 171.8 | -61.7 | 169.4 | 0 | 0 | 0 | 107.3 | I17 S21 | I17-I19 HydrophobicContact CG2-CG1 4.25Å; I19-S21 PolarHBondContact O-N 3.4Å | ||
| 20 | F | 58 | Low | 56.1 | Low | 193 Ų | 193 | 127.4 Ų | 127.4 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | trans | -81.6 | 108.2 | 166.8 | -101.7 | -93.1 | 0 | 0 | 0 | 108.1 | G18 P22 | G18-F20 VanDerWaalsContact C-N 3.31Å; G18-F20 PolarHBondContact O-N 2.89Å; F20-P22 WeakPolarHBondContact O-CD 3.44Å | ||
| 21 | S | 57.9 | Low | 56.2 | Low | 92 Ų | 92 | 125.4 Ų | 125.4 | 64% | 0.643 | 76% | 0.762 | S | S | * | * | trans | -51.1 | 117.7 | 174.4 | -163.4 | 0 | 0 | 0 | 0 | 110.5 | I19 A23 | I19-S21 PolarHBondContact O-N 3.4Å; S21-A23 PolarHBondContact O-N 3.17Å | ||
| 22 | P | 57.7 | Low | 56.6 | Low | 116 Ų | 116 | 128.2 Ų | 128.2 | 75% | 0.753 | 76% | 0.762 | S | S | * | * | G | 310 helix | trans | -80.3 | 8.6 | -174 | 31.6 | -33.2 | 0 | 0 | 0 | 113.4 | F20 | F20-P22 WeakPolarHBondContact O-CD 3.44Š|
| 23 | A | 57.3 | Low | 57.3 | Low | 83 Ų | 83 | 129.9 Ų | 129.9 | 69% | 0.686 | 76% | 0.763 | S | S | * | * | G | 310 helix | trans | -84.2 | -11.3 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | S21 | S21-A23 PolarHBondContact O-N 3.17Š|
| 24 | A | 57 | Low | 57.8 | Low | 98 Ų | 98 | 129.7 Ų | 129.7 | 81% | 0.81 | 76% | 0.757 | S | S | * | * | G | 310 helix | trans | -108.8 | 4.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | R26 | A24-R26 VanDerWaalsContact C-N 3.29Å; A24-R26 PolarHBondContact O-N 3.09Å; A24-R26 VanDerWaalsContact O-N 3.09Å |
| 25 | A | 57.2 | Low | 58.6 | Low | 83 Ų | 83 | 124.8 Ų | 124.8 | 69% | 0.686 | 74% | 0.737 | S | S | * | * | trans | -87.4 | 61.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 26 | R | 56.8 | Low | 59.3 | Low | 221 Ų | 221 | 126.5 Ų | 126.5 | 83% | 0.834 | 74% | 0.737 | S | S | * | * | trans | -128.9 | 116.3 | 171.8 | -66.1 | -176.1 | 176.2 | -174.2 | -1 | 108.6 | A24 | A24-R26 VanDerWaalsContact C-N 3.29Å; A24-R26 PolarHBondContact O-N 3.09Å; A24-R26 VanDerWaalsContact O-N 3.09Å | ||
| 27 | N | 60 | Low | 60.2 | Low | 158 Ų | 158 | 128.3 Ų | 128.3 | 85% | 0.845 | 73% | 0.727 | S | S | * | * | trans | 96.7 | 46.1 | 178.1 | -60.8 | -55.9 | 0 | 0 | 0 | 119.4 | ||||
| 28 | V | 62 | Low | 61.7 | Low | 108 Ų | 108 | 127.9 Ų | 127.9 | 66% | 0.655 | 73% | 0.726 | S | S | * | * | trans | -92.1 | -6.2 | 161.1 | -165 | 0 | 0 | 0 | 0 | 112.4 | G30 | V28-G30 PolarHBondContact O-N 3.42Š| ||
| 29 | M | 57.5 | Low | 63.6 | Low | 170 Ų | 170 | 129 Ų | 129 | 84% | 0.837 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -83.7 | -1.3 | -177.5 | -70.8 | -71.7 | -81.4 | 0 | 0 | 115.1 | ||
| 30 | G | 60.2 | Low | 65.2 | Low | 65 Ų | 65 | 127.2 Ų | 127.2 | 67% | 0.67 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -81.3 | -11.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | V28 F32 | V28-G30 PolarHBondContact O-N 3.42Å; G30-F32 VanDerWaalsContact C-N 3.28Å; G30-F32 PolarHBondContact O-N 3.35Å |
| 31 | L | 58.1 | Low | 67 | Low | 133 Ų | 133 | 122 Ų | 122 | 70% | 0.696 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -79.7 | -4.2 | -174.1 | -72 | 167 | 0 | 0 | 0 | 114.4 | ||
| 32 | F | 59 | Low | 68.8 | Low | 170 Ų | 170 | 119.9 Ų | 119.9 | 75% | 0.746 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -112.2 | 8.8 | -171.8 | -62.9 | -70.6 | 0 | 0 | 0 | 115.6 | G30 V34 | G30-F32 VanDerWaalsContact C-N 3.28Å; G30-F32 PolarHBondContact O-N 3.35Å; F32-V34 PolarHBondContact O-N 2.76Å; F32-V34 VanDerWaalsContact O-N 3.14Å |
| 33 | N | 60 | Low | 70.6 | Confident | 134 Ų | 134 | 117.9 Ų | 117.9 | 72% | 0.717 | 64% | 0.639 | S | S | * | * | trans | -85.4 | 34.4 | 171.6 | -157 | 13.7 | 0 | 0 | 0 | 113 | Q35 | N33-Q35 VanDerWaalsContact C-N 3.35Å; N33-Q35 PolarHBondContact O-N 3.14Å | ||
| 34 | V | 67.5 | Low | 72.3 | Confident | 114 Ų | 114 | 121.5 Ų | 121.5 | 69% | 0.691 | 64% | 0.641 | S | S | * | * | trans | -74.7 | 97 | 166.4 | -178.7 | 0 | 0 | 0 | 0 | 106.2 | F32 S36 | F32-V34 PolarHBondContact O-N 2.76Å; F32-V34 VanDerWaalsContact O-N 3.14Å; V34-S36 PolarHBondContact O-N 3.04Å | ||
| 35 | Q | 65.9 | Low | 74.2 | Confident | 113 Ų | 113 | 118 Ų | 118 | 53% | 0.528 | 61% | 0.609 | S | S | . | * | trans | -65.7 | 85.4 | 174.7 | -70.2 | -175.7 | 78.5 | 0 | 0 | 109.9 | N33 R37 P69 | N33-Q35 VanDerWaalsContact C-N 3.35Å; N33-Q35 PolarHBondContact O-N 3.14Å; Q35-R37 PolarHBondContact O-N 3.27Å; Q35-P69 HydrophobicContact CB-CB 4.36Å; Q35-P69 HydrophobicContact CB-CG 3.28Å; Q35-P69 HydrophobicContact CG-CG 4.17Å; Q35-P69 WeakPolarHBondContact O-CB 3.41Å; Q35-P69 WeakPolarHBondContact O-CG 3.42Å | ||
| 36 | S | 64.8 | Low | 76 | Confident | 108 Ų | 108 | 118.5 Ų | 118.5 | 76% | 0.755 | 60% | 0.603 | S | S | * | * | trans | -91.4 | 76.5 | -179.5 | 61.3 | 0 | 0 | 0 | 0 | 110.1 | V34 | V34-S36 PolarHBondContact O-N 3.04Š| ||
| 37 | R | 77.2 | Confident | 77.9 | Confident | 152 Ų | 152 | 115.1 Ų | 115.1 | 57% | 0.574 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 133.4 | 167.2 | -160.8 | -175.7 | -178.9 | 113.6 | -1.7 | 110.3 | Q35 P69 | Q35-R37 PolarHBondContact O-N 3.27Å; R37-P69 HydrophobicContact CB-CB 4.4Å |
| 38 | L | 87.6 | Confident | 79.6 | Confident | 151 Ų | 151 | 114 Ų | 114 | 79% | 0.791 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 161.3 | 172.9 | -61.9 | 173.8 | 0 | 0 | 0 | 112 | ||
| 39 | Y | 93.6 | Very high | 81.2 | Confident | 87 Ų | 87 | 109.8 Ų | 109.8 | 34% | 0.341 | 55% | 0.55 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 139 | 176.2 | -60.4 | -86.7 | 0 | 0 | 0 | 111.9 | Y62 E64 K72 A74 | Y39-Y62 HydrophobicContact CD1-CD1 4.11Å; Y39-Y62 HydrophobicContact CE1-CD1 4.02Å; Y39-E64 VanDerWaalsContact CE1-OE1 3.23Å; Y39-E64 WeakPolarHBondContact CE1-OE1 3.41Å; Y39-E64 PolarHBondContact OH-OE1 3.25Å; Y39-K72 HydrophobicContact CD1-CB 3.83Å; Y39-K72 HydrophobicContact CE1-CB 4.11Å; Y39-K72 HydrophobicContact CE1-CD 4.2Å; Y39-K72 HydrophobicContact CE1-CG 4.41Å; Y39-A74 HydrophobicContact CD1-CB 4.37Å; Y39-A74 HydrophobicContact CG-CB 4.3Å |
| 40 | K | 94.9 | Very high | 83 | Confident | 122 Ų | 122 | 107.6 Ų | 107.6 | 53% | 0.53 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 125.7 | 166.9 | -166.2 | 172.9 | 173.9 | 179.8 | 0 | 110.3 | H42 K72 Q73 A74 | K40-H42 WeakPolarHBondContact CD-NE2 3.27Å; K40-H42 WeakPolarHBondContact CE-NE2 3.37Å; K40-H42 VanDerWaalsContact CG-NE2 3.35Å; K40-H42 WeakPolarHBondContact CG-NE2 3.5Å; K40-H42 PolarHBondContact O-CD2 3.22Å; K40-K72 PolarHBondContact N-O 2.9Å; K40-K72 VanDerWaalsContact N-O 3.13Å; K40-Q73 VanDerWaalsContact O-CA 3.26Å; K40-Q73 WeakPolarHBondContact O-CA 3.31Å; K40-A74 PolarHBondContact O-N 3.07Å |
| 41 | M | 95.1 | Very high | 84.8 | Confident | 83 Ų | 83 | 108.1 Ų | 108.1 | 41% | 0.409 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 124.2 | -177.5 | -55.5 | -62 | -74.9 | 0 | 0 | 111.4 | A74 Q75 K76 | M41-A74 CarbonylContact C-O 3.57Å; M41-A74 VanDerWaalsContact CA-O 3.31Å; M41-A74 WeakPolarHBondContact CA-O 3.41Å; M41-A74 HydrophobicContact CE-CB 4.26Å; M41-A74 HydrophobicContact SD-CB 3.53Å; M41-A74 VanDerWaalsContact SD-CB 3.53Å; M41-Q75 VanDerWaalsContact CE-O 3.31Å; M41-Q75 WeakPolarHBondContact CE-O 3.43Å; M41-K76 HydrophobicContact CB-CG 3.85Å; M41-K76 WeakPolarHBondContact O-CE 3.43Å |
| 42 | H | 95.8 | Very high | 86.6 | Confident | 49 Ų | 49 | 101.8 Ų | 101.8 | 23% | 0.227 | 50% | 0.503 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 153.5 | 179.9 | -72.9 | -80.6 | 0 | 0 | 0 | 111.9 | K40 L45 A74 Q75 K76 | K40-H42 WeakPolarHBondContact CD-NE2 3.27Å; K40-H42 WeakPolarHBondContact CE-NE2 3.37Å; K40-H42 VanDerWaalsContact CG-NE2 3.35Å; K40-H42 WeakPolarHBondContact CG-NE2 3.5Å; K40-H42 PolarHBondContact O-CD2 3.22Å; H42-L45 HydrophobicContact CB-CD2 4.45Å; H42-A74 PolarHBondContact N-O 2.92Å; H42-Q75 WeakPolarHBondContact O-CA 3.45Å; H42-K76 PolarHBondContact O-N 3.11Å |
| 43 | D | 94.2 | Very high | 88.4 | Confident | 74 Ų | 74 | 98.6 Ų | 98.6 | 40% | 0.396 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -77.8 | -39.2 | 173.2 | -66.9 | -73.4 | 0 | 0 | 0 | 111.5 | K76 | D43-K76 IonicContact OD2-NZ 3.12Å; D43-K76 PolarHBondContact OD2-NZ 2.97Å |
| 44 | H | 94.2 | Very high | 90.2 | Very high | 158 Ų | 158 | 96.7 Ų | 96.7 | 73% | 0.731 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -116.9 | 127.4 | 174.7 | -61.8 | -80.4 | 0 | 0 | 0 | 109.8 | ||
| 45 | L | 95.7 | Very high | 91.6 | Very high | 26 Ų | 26 | 93.6 Ų | 93.6 | 14% | 0.136 | 45% | 0.451 | C | S | . | . | trans | -99.7 | 134.6 | -178 | -69.3 | 164 | 0 | 0 | 0 | 110.3 | H42 F54 L61 V63 Q73 Q75 | H42-L45 HydrophobicContact CB-CD2 4.45Å; L45-F54 HydrophobicContact CB-CE1 3.92Å; L45-L61 HydrophobicContact CD1-CB 3.69Å; L45-L61 HydrophobicContact CD1-CD2 3.82Å; L45-L61 HydrophobicContact CD1-CG 3.75Å; L45-L61 VanDerWaalsContact CD1-O 3.31Å; L45-L61 WeakPolarHBondContact CD1-O 3.35Å; L45-V63 HydrophobicContact CB-CG2 3.83Å; L45-V63 HydrophobicContact CD2-CG2 4.02Å; L45-V63 HydrophobicContact CG-CG2 4.35Å; L45-Q73 HydrophobicContact CD2-CB 3.34Å; L45-Q73 HydrophobicContact CD2-CG 4.45Å; L45-Q75 HydrophobicContact CD1-CB 3.96Å | ||
| 46 | V | 96.3 | Very high | 93.1 | Very high | 92 Ų | 92 | 98.3 Ų | 98.3 | 56% | 0.558 | 46% | 0.464 | S | S | * | . | trans | -131.3 | 140.1 | -178.2 | -176.9 | 0 | 0 | 0 | 0 | 110.3 | Q73 | V46-Q73 PolarHBondContact O-NE2 3.31Å; V46-Q73 VanDerWaalsContact O-NE2 3.09Å | ||
| 47 | R | 95.8 | Very high | 94.5 | Very high | 151 Ų | 151 | 97.5 Ų | 97.5 | 57% | 0.57 | 45% | 0.445 | S | S | * | . | trans | -78 | 117.9 | 169.1 | -65.7 | -172.7 | -72.3 | 166.2 | -1.6 | 109.1 | C52 F54 | R47-C52 HydrophobicContact CB-CB 4.06Å; R47-C52 WeakPolarHBondContact CD-O 3.24Å; R47-C52 HydrophobicContact CG-CB 4.22Å; R47-F54 HydrophobicContact CG-CD2 4.38Å; R47-F54 HydrophobicContact CG-CE2 3.79Å; R47-F54 HydrophobicContact CG-CZ 3.94Å | ||
| 48 | R | 95.7 | Very high | 95.3 | Very high | 133 Ų | 133 | 98.8 Ų | 98.8 | 50% | 0.502 | 46% | 0.457 | S | S | . | . | trans | -88.8 | -20.2 | 178.5 | -60.1 | -175.7 | -170.5 | 169.3 | 6.3 | 113.1 | ||||
| 49 | C | 95.9 | Very high | 95.5 | Very high | 21 Ų | 21 | 95.7 Ų | 95.7 | 14% | 0.142 | 46% | 0.461 | C | S | . | . | S | Bend | trans | -139.7 | 159.7 | -170.8 | 74.3 | 0 | 0 | 0 | 0 | 110 | D51 C52 C65 H71 | C49-D51 VanDerWaalsContact C-N 3.29Å; C49-D51 PolarHBondContact O-N 3.31Å; C49-C52 HydrophobicContact CB-CB 4.4Å; C49-C52 WeakPolarHBondContact CB-SG 3.39Å; C49-C52 PolarHBondContact N-SG 3.44Å; C49-C52 VanDerWaalsContact N-SG 3.37Å; C49-C52 VanDerWaalsContact O-CB 3.23Å; C49-C52 WeakPolarHBondContact O-CB 3.27Å; C49-C52 PolarHBondContact O-N 2.62Å; C49-C52 WeakPolarHBondContact SG-CB 3.22Å; C49-C52 PolarHBondContact SG-N 3.14Å; C49-C52 CovalentContact SG-SG 2.08Å; C49-C52 PolarHBondContact SG-SG 3.27Å; C49-C65 PolarHBondContact SG-SG 3.22Å; C49-H71 PolarHBondContact SG-ND1 2.95Å; C49-H71 VanDerWaalsContact SG-ND1 3.45Å |
| 50 | P | 96.7 | Very high | 95.5 | Very high | 123 Ų | 123 | 95.3 Ų | 95.3 | 80% | 0.799 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -34 | 176.5 | 25.5 | -33.6 | 0 | 0 | 0 | 112.4 | C52 | P50-C52 PolarHBondContact O-N 3.45Š|
| 51 | D | 96.1 | Very high | 95.5 | Very high | 76 Ų | 76 | 91.5 Ų | 91.5 | 41% | 0.406 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -7.4 | 179 | -50.4 | -33.9 | 0 | 0 | 0 | 113.7 | C49 T67 | C49-D51 VanDerWaalsContact C-N 3.29Å; C49-D51 PolarHBondContact O-N 3.31Å; D51-T67 WeakPolarHBondContact OD2-CB 3.33Å; D51-T67 PolarHBondContact OD2-OG1 3.25Å |
| 52 | C | 97.3 | Very high | 95.6 | Very high | 1 Ų | 1 | 88.9 Ų | 88.9 | 1% | 0.007 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 125.6 | -177.2 | -65 | 0 | 0 | 0 | 0 | 108.3 | R47 C49 P50 V63 E64 H71 | R47-C52 HydrophobicContact CB-CB 4.06Å; R47-C52 WeakPolarHBondContact CD-O 3.24Å; R47-C52 HydrophobicContact CG-CB 4.22Å; C49-C52 HydrophobicContact CB-CB 4.4Å; C49-C52 WeakPolarHBondContact CB-SG 3.39Å; C49-C52 PolarHBondContact N-SG 3.44Å; C49-C52 VanDerWaalsContact N-SG 3.37Å; C49-C52 VanDerWaalsContact O-CB 3.23Å; C49-C52 WeakPolarHBondContact O-CB 3.27Å; C49-C52 PolarHBondContact O-N 2.62Å; C49-C52 WeakPolarHBondContact SG-CB 3.22Å; C49-C52 PolarHBondContact SG-N 3.14Å; C49-C52 CovalentContact SG-SG 2.08Å; C49-C52 PolarHBondContact SG-SG 3.27Å; P50-C52 PolarHBondContact O-N 3.45Å; C52-V63 HydrophobicContact CB-CG1 4.2Å; C52-E64 CarbonylContact C-O 3.58Å; C52-E64 VanDerWaalsContact CA-O 3.28Å; C52-E64 WeakPolarHBondContact CA-O 3.35Å; C52-H71 PolarHBondContact SG-ND1 2.77Å; C52-H71 VanDerWaalsContact SG-ND1 3.44Å |
| 53 | Y | 97.4 | Very high | 95.7 | Very high | 102 Ų | 102 | 86.6 Ų | 86.6 | 40% | 0.4 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 156.7 | 179.9 | 66.4 | -86.1 | 0 | 0 | 0 | 111.9 | D55 V63 E64 K66 | Y53-D55 HydrophobicContact CD2-CB 4.42Å; Y53-D55 HydrophobicContact CE2-CB 4.15Å; Y53-V63 WeakPolarHBondContact O-CA 3.23Å; Y53-E64 HydrophobicContact CD1-CB 4.34Å; Y53-E64 HydrophobicContact CE1-CB 3.74Å; Y53-E64 HydrophobicContact CE2-CB 3.98Å; Y53-E64 PolarHBondContact N-O 3.09Å; Y53-E64 PolarHBondContact O-N 3.16Å; Y53-K66 HydrophobicContact CE1-CG 4.36Å |
| 54 | F | 97.5 | Very high | 95.8 | Very high | 94 Ų | 94 | 83.8 Ų | 83.8 | 41% | 0.412 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 137.5 | 176.7 | -69 | -68 | 0 | 0 | 0 | 110.3 | L45 R47 L61 Y62 V63 | L45-F54 HydrophobicContact CB-CE1 3.92Å; R47-F54 HydrophobicContact CG-CD2 4.38Å; R47-F54 HydrophobicContact CG-CE2 3.79Å; R47-F54 HydrophobicContact CG-CZ 3.94Å; F54-L61 HydrophobicContact CB-CD1 4.19Å; F54-L61 HydrophobicContact CD1-CD1 4.4Å; F54-L61 HydrophobicContact CD1-CD2 3.85Å; F54-L61 HydrophobicContact CD1-CG 4.11Å; F54-L61 HydrophobicContact CE1-CD2 4.2Å; F54-Y62 WeakPolarHBondContact CA-O 3.4Å; F54-V63 HydrophobicContact CD1-CG2 3.7Å; F54-V63 HydrophobicContact CE1-CG2 3.55Å |
| 55 | D | 96.8 | Very high | 95.8 | Very high | 49 Ų | 49 | 76.7 Ų | 76.7 | 26% | 0.262 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 141.9 | 178.6 | -174.1 | 15.8 | 0 | 0 | 0 | 109.7 | Y53 R57 Y62 | Y53-D55 HydrophobicContact CD2-CB 4.42Å; Y53-D55 HydrophobicContact CE2-CB 4.15Å; D55-R57 IonicContact OD2-CZ 3.58Å; D55-R57 IonicContact OD2-NE 3.59Å; D55-R57 PolarHBondContact OD2-NE 2.7Å; D55-R57 IonicContact OD2-NH2 2.7Å; D55-R57 PolarHBondContact OD2-NH2 3.01Å; D55-Y62 PolarHBondContact N-O 3.13Å; D55-Y62 PolarHBondContact O-N 3.25Å |
| 56 | R | 96.2 | Very high | 95.7 | Very high | 212 Ų | 212 | 84 Ų | 84 | 80% | 0.8 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 113.8 | -177.9 | -75.5 | -174 | 176.7 | -162.9 | 0.4 | 109.4 | L61 | R56-L61 HydrophobicContact CG-CD1 3.49Å; R56-L61 VanDerWaalsContact CG-CD1 3.49Å |
| 57 | R | 95.7 | Very high | 95.5 | Very high | 91 Ų | 91 | 83.1 Ų | 83.1 | 34% | 0.343 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 136.6 | 177.8 | -74 | 177 | -101.3 | 165 | 4.7 | 109.4 | D55 G59 R60 Y62 E64 | D55-R57 IonicContact OD2-CZ 3.58Å; D55-R57 IonicContact OD2-NE 3.59Å; D55-R57 PolarHBondContact OD2-NE 2.7Å; D55-R57 IonicContact OD2-NH2 2.7Å; D55-R57 PolarHBondContact OD2-NH2 3.01Å; R57-G59 PolarHBondContact O-N 3.15Å; R57-R60 PolarHBondContact N-O 2.08Å; R57-R60 VanDerWaalsContact N-O 3.11Å; R57-R60 PolarHBondContact O-N 2.79Å; R57-R60 VanDerWaalsContact O-O 3.08Å; R57-Y62 HydrophobicContact CB-CD2 4.02Å; R57-Y62 HydrophobicContact CB-CE2 3.76Å; R57-Y62 WeakPolarHBondContact O-CE2 3.23Å; R57-E64 IonicContact CZ-OE1 2.85Å; R57-E64 IonicContact NH1-OE1 2.81Å; R57-E64 IonicContact NH2-OE1 2.72Å; R57-E64 PolarHBondContact NH2-OE1 3.37Å |
| 58 | E | 93 | Very high | 95.4 | Very high | 180 Ų | 180 | 79.4 Ų | 79.4 | 84% | 0.841 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 36.1 | 173.8 | -59.3 | 171.3 | -168.9 | 0 | 0 | 114.4 | R60 | E58-R60 VanDerWaalsContact C-N 3.27Å; E58-R60 PolarHBondContact O-N 3.11Å |
| 59 | G | 91.2 | Very high | 95.2 | Very high | 85 Ų | 85 | 73.7 Ų | 73.7 | 88% | 0.876 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.4 | 12.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | R57 | R57-G59 PolarHBondContact O-N 3.15Š|
| 60 | R | 93.9 | Very high | 95.1 | Very high | 79 Ų | 79 | 80.2 Ų | 80.2 | 30% | 0.298 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 149.5 | 174.2 | -57.4 | -179.2 | -169.9 | 173.6 | 4.3 | 110.7 | R57 E58 Y62 M77 | R57-R60 PolarHBondContact N-O 2.08Å; R57-R60 VanDerWaalsContact N-O 3.11Å; R57-R60 PolarHBondContact O-N 2.79Å; R57-R60 VanDerWaalsContact O-O 3.08Å; E58-R60 VanDerWaalsContact C-N 3.27Å; E58-R60 PolarHBondContact O-N 3.11Å; R60-Y62 HydrophobicContact CB-CE2 3.9Å; R60-Y62 WeakPolarHBondContact O-CD2 3.01Å; R60-M77 PolarHBondContact NH2-SD 3.39Å |
| 61 | L | 96.2 | Very high | 95 | Very high | 42 Ų | 42 | 75.9 Ų | 75.9 | 22% | 0.22 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 138.6 | 174.6 | -166 | 68.7 | 0 | 0 | 0 | 110.6 | L45 F54 R56 Q75 | L45-L61 HydrophobicContact CD1-CB 3.69Å; L45-L61 HydrophobicContact CD1-CD2 3.82Å; L45-L61 HydrophobicContact CD1-CG 3.75Å; L45-L61 VanDerWaalsContact CD1-O 3.31Å; L45-L61 WeakPolarHBondContact CD1-O 3.35Å; F54-L61 HydrophobicContact CB-CD1 4.19Å; F54-L61 HydrophobicContact CD1-CD1 4.4Å; F54-L61 HydrophobicContact CD1-CD2 3.85Å; F54-L61 HydrophobicContact CD1-CG 4.11Å; F54-L61 HydrophobicContact CE1-CD2 4.2Å; R56-L61 HydrophobicContact CG-CD1 3.49Å; R56-L61 VanDerWaalsContact CG-CD1 3.49Å; L61-Q75 HydrophobicContact CB-CB 4.34Å; L61-Q75 VanDerWaalsContact N-OE1 3.17Å; L61-Q75 WeakPolarHBondContact O-CB 3.28Å; L61-Q75 PolarHBondContact O-N 2.96Å |
| 62 | Y | 97.3 | Very high | 95 | Very high | 29 Ų | 29 | 74.8 Ų | 74.8 | 11% | 0.114 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 152 | 176.3 | -64.6 | -94.2 | 0 | 0 | 0 | 109.8 | Y39 F54 D55 R57 R60 Q73 A74 | Y39-Y62 HydrophobicContact CD1-CD1 4.11Å; Y39-Y62 HydrophobicContact CE1-CD1 4.02Å; F54-Y62 WeakPolarHBondContact CA-O 3.4Å; D55-Y62 PolarHBondContact N-O 3.13Å; D55-Y62 PolarHBondContact O-N 3.25Å; R57-Y62 HydrophobicContact CB-CD2 4.02Å; R57-Y62 HydrophobicContact CB-CE2 3.76Å; R57-Y62 WeakPolarHBondContact O-CE2 3.23Å; R60-Y62 HydrophobicContact CB-CE2 3.9Å; R60-Y62 WeakPolarHBondContact O-CD2 3.01Å; Y62-Q73 WeakPolarHBondContact CA-O 3.26Å; Y62-A74 HydrophobicContact CD1-CB 3.57Å; Y62-A74 HydrophobicContact CE1-CB 3.53Å |
| 63 | V | 97.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 117.1 | 165.3 | 177 | 0 | 0 | 0 | 0 | 107.3 | L45 C52 Y53 F54 K72 Q73 | L45-V63 HydrophobicContact CB-CG2 3.83Å; L45-V63 HydrophobicContact CD2-CG2 4.02Å; L45-V63 HydrophobicContact CG-CG2 4.35Å; C52-V63 HydrophobicContact CB-CG1 4.2Å; Y53-V63 WeakPolarHBondContact O-CA 3.23Å; F54-V63 HydrophobicContact CD1-CG2 3.7Å; F54-V63 HydrophobicContact CE1-CG2 3.55Å; V63-K72 WeakPolarHBondContact O-CA 3.43Å; V63-Q73 HydrophobicContact CB-CB 4.12Å; V63-Q73 HydrophobicContact CG2-CB 4.47Å; V63-Q73 PolarHBondContact N-O 2.99Å; V63-Q73 PolarHBondContact O-N 3.48Å; V63-Q73 VanDerWaalsContact O-N 3.11Å |
| 64 | E | 95.6 | Very high | 94.9 | Very high | 16 Ų | 16 | 70.3 Ų | 70.3 | 8% | 0.075 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 153.2 | 173.5 | -71.5 | -64 | 171.4 | 0 | 0 | 110.6 | Y39 C52 Y53 R57 K72 | Y39-E64 VanDerWaalsContact CE1-OE1 3.23Å; Y39-E64 WeakPolarHBondContact CE1-OE1 3.41Å; Y39-E64 PolarHBondContact OH-OE1 3.25Å; C52-E64 CarbonylContact C-O 3.58Å; C52-E64 VanDerWaalsContact CA-O 3.28Å; C52-E64 WeakPolarHBondContact CA-O 3.35Å; Y53-E64 HydrophobicContact CD1-CB 4.34Å; Y53-E64 HydrophobicContact CE1-CB 3.74Å; Y53-E64 HydrophobicContact CE2-CB 3.98Å; Y53-E64 PolarHBondContact N-O 3.09Å; Y53-E64 PolarHBondContact O-N 3.16Å; R57-E64 IonicContact CZ-OE1 2.85Å; R57-E64 IonicContact NH1-OE1 2.81Å; R57-E64 IonicContact NH2-OE1 2.72Å; R57-E64 PolarHBondContact NH2-OE1 3.37Å; E64-K72 VanDerWaalsContact OE2-CE 3.27Å; E64-K72 WeakPolarHBondContact OE2-CE 3.31Å; E64-K72 IonicContact OE2-NZ 3.81Å |
| 65 | C | 95.4 | Very high | 94.8 | Very high | 9 Ų | 9 | 69.5 Ų | 69.5 | 6% | 0.061 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 124.8 | 173.7 | -178.1 | 0 | 0 | 0 | 0 | 108.8 | C49 H68 H71 | C49-C65 PolarHBondContact SG-SG 3.22Å; C65-H68 WeakPolarHBondContact CB-O 3.31Å; C65-H68 PolarHBondContact SG-N 3.45Å; C65-H71 HydrophobicContact CB-CB 3.82Å |
| 66 | K | 91.8 | Very high | 94.7 | Very high | 179 Ų | 179 | 71.5 Ų | 71.5 | 78% | 0.778 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -70.8 | -39.7 | 179.8 | -62.1 | -179.8 | -179.2 | -180 | 0 | 111.6 | Y53 | Y53-K66 HydrophobicContact CE1-CG 4.36Š|
| 67 | T | 93.6 | Very high | 94.5 | Very high | 73 Ų | 73 | 67.4 Ų | 67.4 | 45% | 0.448 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -82.4 | -40.6 | -173.1 | -42.8 | 0 | 0 | 0 | 0 | 112.7 | D51 | D51-T67 WeakPolarHBondContact OD2-CB 3.33Å; D51-T67 PolarHBondContact OD2-OG1 3.25Å |
| 68 | H | 93.1 | Very high | 94.1 | Very high | 73 Ų | 73 | 72 Ų | 72 | 34% | 0.338 | 35% | 0.345 | S | S | . | . | trans | -129.2 | 103.4 | -170.9 | -62.1 | 79.1 | 0 | 0 | 0 | 111.9 | C65 R70 H71 | C65-H68 WeakPolarHBondContact CB-O 3.31Å; C65-H68 PolarHBondContact SG-N 3.45Å; H68-R70 PolarHBondContact O-N 2.85Å; H68-R70 VanDerWaalsContact O-N 3.14Å; H68-H71 AromaticContact CG-CE1 3.93Å; H68-H71 WeakPolarHBondContact O-CB 3.41Å; H68-H71 PolarHBondContact O-N 2.72Å | ||
| 69 | P | 91.7 | Very high | 93.9 | Very high | 14 Ų | 14 | 68.5 Ų | 68.5 | 9% | 0.091 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -68.3 | -16.3 | 179.4 | 19.9 | -24 | 0 | 0 | 0 | 113.2 | Q35 R37 H71 K72 | Q35-P69 HydrophobicContact CB-CB 4.36Å; Q35-P69 HydrophobicContact CB-CG 3.28Å; Q35-P69 HydrophobicContact CG-CG 4.17Å; Q35-P69 WeakPolarHBondContact O-CB 3.41Å; Q35-P69 WeakPolarHBondContact O-CG 3.42Å; R37-P69 HydrophobicContact CB-CB 4.4Å; P69-H71 PolarHBondContact O-N 2.89Å; P69-K72 WeakPolarHBondContact O-CB 3.41Å; P69-K72 WeakPolarHBondContact O-CG 3.44Å; P69-K72 PolarHBondContact O-N 2.87Å |
| 70 | R | 93.1 | Very high | 93.6 | Very high | 158 Ų | 158 | 70 Ų | 70 | 60% | 0.596 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -64 | -17.1 | 171.7 | -64.4 | -170.9 | -64.3 | -173.6 | -0.3 | 113.9 | H68 | H68-R70 PolarHBondContact O-N 2.85Å; H68-R70 VanDerWaalsContact O-N 3.14Å |
| 71 | H | 95.1 | Very high | 93 | Very high | 31 Ų | 31 | 76.1 Ų | 76.1 | 14% | 0.144 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -89 | -5.7 | 179.5 | -62.4 | 165.8 | 0 | 0 | 0 | 113.6 | C49 C52 C65 H68 P69 Q73 | C49-H71 PolarHBondContact SG-ND1 2.95Å; C49-H71 VanDerWaalsContact SG-ND1 3.45Å; C52-H71 PolarHBondContact SG-ND1 2.77Å; C52-H71 VanDerWaalsContact SG-ND1 3.44Å; C65-H71 HydrophobicContact CB-CB 3.82Å; H68-H71 AromaticContact CG-CE1 3.93Å; H68-H71 WeakPolarHBondContact O-CB 3.41Å; H68-H71 PolarHBondContact O-N 2.72Å; P69-H71 PolarHBondContact O-N 2.89Å; H71-Q73 WeakPolarHBondContact O-CG 3.5Å; H71-Q73 PolarHBondContact O-N 2.81Å; H71-Q73 PolarHBondContact O-NE2 3.06Å; H71-Q73 VanDerWaalsContact O-NE2 3.16Å |
| 72 | K | 95.3 | Very high | 92.5 | Very high | 54 Ų | 54 | 75.3 Ų | 75.3 | 24% | 0.235 | 36% | 0.361 | C | S | . | . | trans | -60.7 | 120 | 178.3 | -69.8 | -172 | 178.2 | -166.4 | 0 | 111.3 | Y39 K40 V63 E64 P69 | Y39-K72 HydrophobicContact CD1-CB 3.83Å; Y39-K72 HydrophobicContact CE1-CB 4.11Å; Y39-K72 HydrophobicContact CE1-CD 4.2Å; Y39-K72 HydrophobicContact CE1-CG 4.41Å; K40-K72 PolarHBondContact N-O 2.9Å; K40-K72 VanDerWaalsContact N-O 3.13Å; V63-K72 WeakPolarHBondContact O-CA 3.43Å; E64-K72 VanDerWaalsContact OE2-CE 3.27Å; E64-K72 WeakPolarHBondContact OE2-CE 3.31Å; E64-K72 IonicContact OE2-NZ 3.81Å; P69-K72 WeakPolarHBondContact O-CB 3.41Å; P69-K72 WeakPolarHBondContact O-CG 3.44Å; P69-K72 PolarHBondContact O-N 2.87Å | ||
| 73 | Q | 96.7 | Very high | 91.5 | Very high | 6 Ų | 6 | 79 Ų | 79 | 3% | 0.028 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 153.3 | 179.9 | -59.8 | 158.5 | 59.8 | 0 | 0 | 110.1 | K40 L45 V46 Y62 V63 H71 | K40-Q73 VanDerWaalsContact O-CA 3.26Å; K40-Q73 WeakPolarHBondContact O-CA 3.31Å; L45-Q73 HydrophobicContact CD2-CB 3.34Å; L45-Q73 HydrophobicContact CD2-CG 4.45Å; V46-Q73 PolarHBondContact O-NE2 3.31Å; V46-Q73 VanDerWaalsContact O-NE2 3.09Å; Y62-Q73 WeakPolarHBondContact CA-O 3.26Å; V63-Q73 HydrophobicContact CB-CB 4.12Å; V63-Q73 HydrophobicContact CG2-CB 4.47Å; V63-Q73 PolarHBondContact N-O 2.99Å; V63-Q73 PolarHBondContact O-N 3.48Å; V63-Q73 VanDerWaalsContact O-N 3.11Å; H71-Q73 WeakPolarHBondContact O-CG 3.5Å; H71-Q73 PolarHBondContact O-N 2.81Å; H71-Q73 PolarHBondContact O-NE2 3.06Å; H71-Q73 VanDerWaalsContact O-NE2 3.16Å |
| 74 | A | 96.3 | Very high | 90.4 | Very high | 2 Ų | 2 | 88.1 Ų | 88.1 | 2% | 0.017 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 146 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y39 K40 M41 H42 Y62 | Y39-A74 HydrophobicContact CD1-CB 4.37Å; Y39-A74 HydrophobicContact CG-CB 4.3Å; K40-A74 PolarHBondContact O-N 3.07Å; M41-A74 CarbonylContact C-O 3.57Å; M41-A74 VanDerWaalsContact CA-O 3.31Å; M41-A74 WeakPolarHBondContact CA-O 3.41Å; M41-A74 HydrophobicContact CE-CB 4.26Å; M41-A74 HydrophobicContact SD-CB 3.53Å; M41-A74 VanDerWaalsContact SD-CB 3.53Å; H42-A74 PolarHBondContact N-O 2.92Å; Y62-A74 HydrophobicContact CD1-CB 3.57Å; Y62-A74 HydrophobicContact CE1-CB 3.53Å |
| 75 | Q | 96.4 | Very high | 89.1 | Confident | 78 Ų | 78 | 94 Ų | 94 | 36% | 0.364 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 132.8 | 178 | -170.1 | 177.8 | 14.4 | 0 | 0 | 110.6 | M41 H42 L45 L61 M77 | M41-Q75 VanDerWaalsContact CE-O 3.31Å; M41-Q75 WeakPolarHBondContact CE-O 3.43Å; H42-Q75 WeakPolarHBondContact O-CA 3.45Å; L45-Q75 HydrophobicContact CD1-CB 3.96Å; L61-Q75 HydrophobicContact CB-CB 4.34Å; L61-Q75 VanDerWaalsContact N-OE1 3.17Å; L61-Q75 WeakPolarHBondContact O-CB 3.28Å; L61-Q75 PolarHBondContact O-N 2.96Å; Q75-M77 PolarHBondContact O-N 3.42Å |
| 76 | K | 94.8 | Very high | 87.6 | Confident | 91 Ų | 91 | 101 Ų | 101 | 40% | 0.396 | 48% | 0.483 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 127.6 | 169.7 | -71.1 | -178.1 | -167.1 | 163.3 | 0 | 110.3 | M41 H42 D43 R78 | M41-K76 HydrophobicContact CB-CG 3.85Å; M41-K76 WeakPolarHBondContact O-CE 3.43Å; H42-K76 PolarHBondContact O-N 3.11Å; D43-K76 IonicContact OD2-NZ 3.12Å; D43-K76 PolarHBondContact OD2-NZ 2.97Å; K76-R78 PolarHBondContact O-N 2.99Å |
| 77 | M | 91.2 | Very high | 86.2 | Confident | 126 Ų | 126 | 100.1 Ų | 100.1 | 62% | 0.621 | 48% | 0.479 | S | S | * | . | P | Polyproline II helix | trans | -75.6 | 122.4 | 170.9 | -164.2 | 179.7 | -172.7 | 0 | 0 | 108.7 | R60 Q75 | R60-M77 PolarHBondContact NH2-SD 3.39Å; Q75-M77 PolarHBondContact O-N 3.42Å |
| 78 | R | 88.3 | Confident | 84.8 | Confident | 186 Ų | 186 | 104.7 Ų | 104.7 | 70% | 0.702 | 49% | 0.489 | S | S | * | . | P | Polyproline II helix | trans | -77.4 | 138.9 | 167 | -66.2 | -177.1 | -180 | 174.1 | -0.6 | 108 | K76 | K76-R78 PolarHBondContact O-N 2.99Š|
| 79 | P | 87 | Confident | 83.4 | Confident | 107 Ų | 107 | 103.6 Ų | 103.6 | 70% | 0.695 | 49% | 0.488 | S | S | * | . | P | Polyproline II helix | trans | -56.9 | 149.8 | 170.1 | 26.9 | -34 | 0 | 0 | 0 | 109 | K81 | P79-K81 PolarHBondContact O-N 3.3Š|
| 80 | P | 84.8 | Confident | 82 | Confident | 117 Ų | 117 | 108.4 Ų | 108.4 | 76% | 0.76 | 51% | 0.512 | S | S | * | . | P | Polyproline II helix | trans | -54.7 | 134.7 | 172.5 | 25.1 | -33.2 | 0 | 0 | 0 | 108.7 | A82 | P80-A82 PolarHBondContact O-N 2.94Š|
| 81 | K | 83 | Confident | 80.4 | Confident | 208 Ų | 208 | 109 Ų | 109 | 90% | 0.904 | 51% | 0.514 | S | S | * | . | trans | -64.3 | 104.8 | 174 | -70.5 | -177.4 | -179.5 | 179.5 | 0 | 107.4 | P79 P83 | P79-K81 PolarHBondContact O-N 3.3Å; K81-P83 WeakPolarHBondContact O-CD 3.19Å | ||
| 82 | A | 84.3 | Confident | 78.7 | Confident | 25 Ų | 25 | 116.9 Ų | 116.9 | 21% | 0.207 | 54% | 0.542 | C | S | . | . | trans | -77.8 | 109.5 | 173 | 0 | 0 | 0 | 0 | 0 | 108.5 | P80 W84 L85 | P80-A82 PolarHBondContact O-N 2.94Å; A82-W84 HydrophobicContact CB-CD2 4.07Å; A82-W84 HydrophobicContact CB-CE3 4.48Å; A82-W84 HydrophobicContact CB-CH2 4.14Å; A82-W84 HydrophobicContact CB-CZ2 3.69Å; A82-W84 PolarHBondContact O-N 2.91Å; A82-W84 VanDerWaalsContact O-N 3.13Å; A82-L85 HydrophobicContact CB-CB 4.36Å; A82-L85 HydrophobicContact CB-CD1 3.71Å; A82-L85 HydrophobicContact CB-CG 3.76Å; A82-L85 PolarHBondContact O-N 3.43Å; A82-L85 VanDerWaalsContact O-N 3.09Å | ||
| 83 | P | 77.5 | Confident | 77.3 | Confident | 105 Ų | 105 | 120.2 Ų | 120.2 | 68% | 0.682 | 57% | 0.567 | S | S | * | * | G | 310 helix | trans | -60.5 | -27 | -175.2 | 22.6 | -32.5 | 0 | 0 | 0 | 112.7 | K81 | K81-P83 WeakPolarHBondContact O-CD 3.19Š|
| 84 | W | 73.3 | Confident | 75.5 | Confident | 192 Ų | 192 | 123.4 Ų | 123.4 | 73% | 0.727 | 59% | 0.587 | S | S | * | * | G | 310 helix | trans | -80.6 | -9.6 | 179.6 | 60.5 | 85.5 | 0 | 0 | 0 | 115 | A82 F86 | A82-W84 HydrophobicContact CB-CD2 4.07Å; A82-W84 HydrophobicContact CB-CE3 4.48Å; A82-W84 HydrophobicContact CB-CH2 4.14Å; A82-W84 HydrophobicContact CB-CZ2 3.69Å; A82-W84 PolarHBondContact O-N 2.91Å; A82-W84 VanDerWaalsContact O-N 3.13Å; W84-F86 PolarHBondContact O-N 3.13Å |
| 85 | L | 67.9 | Low | 73.6 | Confident | 139 Ų | 139 | 129.4 Ų | 129.4 | 73% | 0.728 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -73.9 | -15.4 | 174.1 | -74 | 177.7 | 0 | 0 | 0 | 112.1 | A82 K87 | A82-L85 HydrophobicContact CB-CB 4.36Å; A82-L85 HydrophobicContact CB-CD1 3.71Å; A82-L85 HydrophobicContact CB-CG 3.76Å; A82-L85 PolarHBondContact O-N 3.43Å; A82-L85 VanDerWaalsContact O-N 3.09Å; L85-K87 PolarHBondContact O-N 3.09Å |
| 86 | F | 65.2 | Low | 71.9 | Confident | 156 Ų | 156 | 140 Ų | 140 | 68% | 0.684 | 66% | 0.664 | S | S | * | * | trans | -78.9 | 56.6 | 172.9 | -161.9 | -101.9 | 0 | 0 | 0 | 111.3 | W84 R88 | W84-F86 PolarHBondContact O-N 3.13Å; F86-R88 HydrophobicContact CD1-CG 4.29Å; F86-R88 HydrophobicContact CE1-CG 3.63Å; F86-R88 HydrophobicContact CZ-CG 3.82Å; F86-R88 PolarHBondContact O-N 3.15Å; F86-R88 VanDerWaalsContact O-N 3.15Å | ||
| 87 | K | 62.2 | Low | 70.7 | Confident | 162 Ų | 162 | 142.5 Ų | 142.5 | 70% | 0.704 | 68% | 0.678 | S | S | * | * | trans | -79.1 | 90.5 | 162.2 | -76.3 | -170.4 | 177.2 | -175.1 | 0 | 107.6 | L85 P89 W91 | L85-K87 PolarHBondContact O-N 3.09Å; K87-P89 WeakPolarHBondContact O-CD 3.4Å; K87-W91 HydrophobicContact CD-CH2 4.46Å | ||
| 88 | R | 64.4 | Low | 69.6 | Low | 169 Ų | 169 | 143.3 Ų | 143.3 | 64% | 0.638 | 68% | 0.681 | S | S | * | * | trans | -55 | 124.8 | 158.1 | -81.5 | -180 | 154.9 | -167.3 | -5.9 | 107 | F86 I90 | F86-R88 HydrophobicContact CD1-CG 4.29Å; F86-R88 HydrophobicContact CE1-CG 3.63Å; F86-R88 HydrophobicContact CZ-CG 3.82Å; F86-R88 PolarHBondContact O-N 3.15Å; F86-R88 VanDerWaalsContact O-N 3.15Å; R88-I90 HydrophobicContact CB-CG1 4.21Å; R88-I90 PolarHBondContact O-N 2.99Å | ||
| 89 | P | 63.5 | Low | 68.6 | Low | 50 Ų | 50 | 140.9 Ų | 140.9 | 33% | 0.325 | 68% | 0.68 | S | S | . | * | trans | -75.2 | 74.8 | 170.3 | 31.9 | -32.2 | 0 | 0 | 0 | 108 | K87 W91 R92 | K87-P89 WeakPolarHBondContact O-CD 3.4Å; P89-W91 PolarHBondContact O-N 2.81Å; P89-R92 HydrophobicContact CB-CB 4.08Å; P89-R92 HydrophobicContact CB-CG 3.83Å; P89-R92 VanDerWaalsContact CB-NE 3.34Å; P89-R92 HydrophobicContact CG-CB 4.41Å; P89-R92 HydrophobicContact CG-CG 4.4Å; P89-R92 PolarHBondContact O-N 3.24Å | ||
| 90 | I | 62.7 | Low | 67.5 | Low | 115 Ų | 115 | 142.9 Ų | 142.9 | 59% | 0.59 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -55.3 | -34.9 | 173.1 | -77.4 | 166.5 | 0 | 0 | 0 | 109.5 | R88 R92 T93 | R88-I90 HydrophobicContact CB-CG1 4.21Å; R88-I90 PolarHBondContact O-N 2.99Å; I90-R92 VanDerWaalsContact C-N 3.26Å; I90-R92 PolarHBondContact O-N 3.24Å; I90-T93 PolarHBondContact O-N 3.25Å |
| 91 | W | 59.1 | Low | 66.4 | Low | 170 Ų | 170 | 144.6 Ų | 144.6 | 64% | 0.644 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -66.7 | -13.5 | 175.6 | 46 | 78.7 | 0 | 0 | 0 | 115.7 | K87 P89 | K87-W91 HydrophobicContact CD-CH2 4.46Å; P89-W91 PolarHBondContact O-N 2.81Å |
| 92 | R | 59.7 | Low | 65.3 | Low | 197 Ų | 197 | 140.3 Ų | 140.3 | 74% | 0.743 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -84.7 | -17.1 | 174.4 | -76 | -177.5 | -136.4 | -87 | 1.3 | 113.1 | P89 I90 | P89-R92 HydrophobicContact CB-CB 4.08Å; P89-R92 HydrophobicContact CB-CG 3.83Å; P89-R92 VanDerWaalsContact CB-NE 3.34Å; P89-R92 HydrophobicContact CG-CB 4.41Å; P89-R92 HydrophobicContact CG-CG 4.4Å; P89-R92 PolarHBondContact O-N 3.24Å; I90-R92 VanDerWaalsContact C-N 3.26Å; I90-R92 PolarHBondContact O-N 3.24Å |
| 93 | T | 64.7 | Low | 64 | Low | 123 Ų | 123 | 148.6 Ų | 148.6 | 76% | 0.755 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.2 | -10.1 | -174.7 | -15.1 | 0 | 0 | 0 | 0 | 113.3 | I90 | I90-T93 PolarHBondContact O-N 3.25Š|
| 94 | V | 59.3 | Low | 63 | Low | 74 Ų | 74 | 151.9 Ų | 151.9 | 45% | 0.448 | 69% | 0.691 | S | S | . | * | trans | -106.2 | 95.6 | -179.2 | -164 | 0 | 0 | 0 | 0 | 108.5 | W96 | V94-W96 HydrophobicContact CG1-CG 4.43Å; V94-W96 HydrophobicContact CG1-CZ2 4.5Å | ||
| 95 | C | 56.8 | Low | 62.1 | Low | 127 Ų | 127 | 148.6 Ų | 148.6 | 86% | 0.858 | 69% | 0.688 | S | S | * | * | trans | -86 | 117.4 | 158 | -67.3 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 96 | W | 59.7 | Low | 61.6 | Low | 301 Ų | 301 | 149.5 Ų | 149.5 | 100% | 1.14 | 68% | 0.684 | S | S | * | * | trans | -83.8 | 0 | 166 | -70 | 92.9 | 0 | 0 | 0 | 110.2 | V94 | V94-W96 HydrophobicContact CG1-CG 4.43Å; V94-W96 HydrophobicContact CG1-CZ2 4.5Å |
Retrieved 96 of 96 residues in 22.4 ms
(Link to these results)