| 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 | 39.2 | Very low | 40.8 | Very low | 241 Ų | 241 | 141.7 Ų | 141.7 | 100% | 1.187 | 79% | 0.792 | S | S | * | * | 0 | 131.2 | 0 | -72.5 | -177.9 | -176.8 | 0 | 0 | 107.6 | |||||
| 2 | F | 36.1 | Very low | 40.6 | Very low | 206 Ų | 206 | 136.3 Ų | 136.3 | 90% | 0.904 | 77% | 0.771 | S | S | * | * | trans | -44.3 | 150.9 | 172.5 | -63.9 | -94.8 | 0 | 0 | 0 | 111.3 | ||||
| 3 | S | 37.9 | Very low | 41 | Very low | 95 Ų | 95 | 139.5 Ų | 139.5 | 66% | 0.664 | 77% | 0.771 | S | S | * | * | -179.6 | 141.7 | 52.3 | 44.6 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 4 | L | 40.8 | Very low | 40.7 | Very low | 161 Ų | 161 | 141.4 Ų | 141.4 | 84% | 0.843 | 77% | 0.771 | S | S | * | * | 48.9 | 146.7 | 129 | -65.2 | 159.6 | 0 | 0 | 0 | 119.3 | |||||
| 5 | S | 38.5 | Very low | 40.4 | Very low | 88 Ų | 88 | 139 Ų | 139 | 62% | 0.615 | 77% | 0.767 | S | S | * | * | cis | 161.2 | 146.6 | -1.2 | 59.2 | 0 | 0 | 0 | 0 | 102.9 | ||||
| 6 | M | 38.9 | Very low | 40.7 | Very low | 172 Ų | 172 | 137.2 Ų | 137.2 | 85% | 0.847 | 77% | 0.767 | S | S | * | * | 173.3 | 153.3 | 72.8 | -82.2 | -143.5 | 86.2 | 0 | 0 | 108 | |||||
| 7 | V | 44.2 | Very low | 40.6 | Very low | 117 Ų | 117 | 139.2 Ų | 139.2 | 71% | 0.709 | 77% | 0.774 | S | S | * | * | trans | -103 | 154.7 | 161.3 | -179.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 8 | P | 48.4 | Very low | 40.4 | Very low | 119 Ų | 119 | 143.1 Ų | 143.1 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | -144.1 | 144.6 | 114.3 | 30.7 | -12.6 | 0 | 0 | 0 | 111.3 | |||||
| 9 | S | 39 | Very low | 40.4 | Very low | 91 Ų | 91 | 140.9 Ų | 140.9 | 64% | 0.636 | 78% | 0.778 | S | S | * | * | cis | 88 | 121.7 | 36.7 | -157.7 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 10 | T | 45.8 | Very low | 40.6 | Very low | 116 Ų | 116 | 141.8 Ų | 141.8 | 71% | 0.712 | 78% | 0.776 | S | S | * | * | trans | 75.3 | 150.8 | 157.9 | 75.5 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 11 | N | 40.3 | Very low | 40.4 | Very low | 153 Ų | 153 | 143.6 Ų | 143.6 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | cis | -162.9 | 169 | 26.9 | -138.9 | -31.5 | 0 | 0 | 0 | 112.5 | ||||
| 12 | S | 38.3 | Very low | 40.4 | Very low | 77 Ų | 77 | 136.9 Ų | 136.9 | 54% | 0.538 | 75% | 0.754 | S | S | . | * | trans | -114.4 | 161.9 | -172 | 80.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 13 | K | 46 | Very low | 40.8 | Very low | 178 Ų | 178 | 136.1 Ų | 136.1 | 77% | 0.774 | 75% | 0.753 | S | S | * | * | trans | 80.2 | 127 | 153.8 | -61.8 | 162.2 | -171.6 | -176.4 | 0 | 118.6 | ||||
| 14 | H | 37 | Very low | 40.9 | Very low | 166 Ų | 166 | 143.1 Ų | 143.1 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | -178.6 | 145.8 | 96.1 | -113.9 | -84.6 | 0 | 0 | 0 | 115.3 | |||||
| 15 | C | 35.3 | Very low | 40.9 | Very low | 105 Ų | 105 | 141 Ų | 141 | 71% | 0.709 | 76% | 0.762 | S | S | * | * | trans | 31.4 | 121 | 149.5 | -80.9 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 16 | S | 45 | Very low | 41.1 | Very low | 110 Ų | 110 | 142 Ų | 142 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | 80.1 | 107.5 | 68.2 | -163.2 | 0 | 0 | 0 | 0 | 114 | |||||
| 17 | I | 38.7 | Very low | 41.6 | Very low | 172 Ų | 172 | 139 Ų | 139 | 88% | 0.882 | 76% | 0.763 | S | S | * | * | trans | -138.8 | 130.8 | 157.5 | -62 | -177.4 | 0 | 0 | 0 | 109.5 | ||||
| 18 | R | 38.3 | Very low | 42.1 | Very low | 209 Ų | 209 | 138.3 Ų | 138.3 | 79% | 0.789 | 76% | 0.764 | S | S | * | * | trans | -81.4 | 136.2 | 179.3 | -179.9 | -177.9 | -174.8 | 179.9 | 0.8 | 110.4 | ||||
| 19 | A | 39 | Very low | 42.4 | Very low | 101 Ų | 101 | 137 Ų | 137 | 84% | 0.835 | 75% | 0.745 | S | S | * | * | trans | -146 | 118 | 157.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 20 | Q | 45.9 | Very low | 43.5 | Very low | 158 Ų | 158 | 136.8 Ų | 136.8 | 74% | 0.738 | 74% | 0.741 | S | S | * | * | trans | -97.8 | 122 | 164.1 | -71.6 | 175.2 | -18.5 | 0 | 0 | 106.8 | ||||
| 21 | H | 36.2 | Very low | 44.4 | Very low | 180 Ų | 180 | 136.2 Ų | 136.2 | 83% | 0.833 | 74% | 0.737 | S | S | * | * | trans | -167.7 | 121.1 | 143.6 | -145.4 | -113.9 | 0 | 0 | 0 | 112 | ||||
| 22 | C | 37.8 | Very low | 45.7 | Very low | 101 Ų | 101 | 134.4 Ų | 134.4 | 68% | 0.682 | 73% | 0.727 | S | S | * | * | trans | 65 | 122.8 | 131.8 | -147.8 | 0 | 0 | 0 | 0 | 120.7 | R24 | C22-R24 PolarHBondContact O-N 2.87Š| ||
| 23 | E | 45.8 | Very low | 47.3 | Very low | 189 Ų | 189 | 135.3 Ų | 135.3 | 88% | 0.883 | 72% | 0.723 | S | S | * | * | trans | -37.1 | 117.9 | 161.1 | -63.6 | 178.4 | 157.8 | 0 | 0 | 112.9 | ||||
| 24 | R | 39.4 | Very low | 48.8 | Very low | 242 Ų | 242 | 132.3 Ų | 132.3 | 91% | 0.913 | 71% | 0.71 | S | S | * | * | trans | -120.9 | 122.3 | 138.9 | -158.3 | 171 | -164.7 | 172 | 3.5 | 106.8 | C22 | C22-R24 PolarHBondContact O-N 2.87Š| ||
| 25 | C | 41.8 | Very low | 50.7 | Low | 116 Ų | 116 | 129.8 Ų | 129.8 | 78% | 0.784 | 70% | 0.697 | S | S | * | * | trans | -43.4 | 145.5 | 171 | -90.2 | 0 | 0 | 0 | 0 | 111.4 | S27 | C25-S27 PolarHBondContact O-N 2.8Š| ||
| 26 | P | 42.6 | Very low | 52.9 | Low | 109 Ų | 109 | 130.1 Ų | 130.1 | 71% | 0.708 | 69% | 0.687 | S | S | * | * | trans | -62 | 127.4 | -171.9 | 27.3 | -33 | 0 | 0 | 0 | 108.3 | S28 | P26-S28 PolarHBondContact O-N 2.82Š| ||
| 27 | S | 48 | Very low | 54.6 | Low | 109 Ų | 109 | 129.6 Ų | 129.6 | 76% | 0.762 | 67% | 0.673 | S | S | * | * | trans | -58.4 | 102 | 150.7 | 57.6 | 0 | 0 | 0 | 0 | 104.5 | C25 K29 | C25-S27 PolarHBondContact O-N 2.8Å; S27-K29 VanDerWaalsContact C-N 3.3Å; S27-K29 PolarHBondContact O-N 3.27Å | ||
| 28 | S | 55 | Low | 56.6 | Low | 104 Ų | 104 | 127.4 Ų | 127.4 | 73% | 0.727 | 66% | 0.659 | S | S | * | * | trans | -54.4 | 100.9 | 175.5 | 11.3 | 0 | 0 | 0 | 0 | 105.4 | P26 T30 | P26-S28 PolarHBondContact O-N 2.82Å; S28-T30 PolarHBondContact O-N 2.9Å | ||
| 29 | K | 54.4 | Low | 58.7 | Low | 90 Ų | 90 | 123 Ų | 123 | 39% | 0.391 | 65% | 0.648 | S | S | . | * | trans | -51 | 111.9 | 170.9 | -68.5 | -174.6 | -176.1 | -174.6 | 0 | 105.1 | S27 Q33 K34 E37 | S27-K29 VanDerWaalsContact C-N 3.3Å; S27-K29 PolarHBondContact O-N 3.27Å; K29-Q33 HydrophobicContact CB-CB 4.19Å; K29-K34 HydrophobicContact CB-CG 4.02Å; K29-E37 IonicContact NZ-OE1 3.37Å; K29-E37 PolarHBondContact NZ-OE1 2.7Å; K29-E37 IonicContact NZ-OE2 2.68Å; K29-E37 PolarHBondContact NZ-OE2 3.32Å | ||
| 30 | T | 62.6 | Low | 60.8 | Low | 87 Ų | 87 | 123.5 Ų | 123.5 | 53% | 0.534 | 63% | 0.632 | S | S | . | * | trans | -52.1 | 145 | 178.4 | -41 | 0 | 0 | 0 | 0 | 106.8 | S28 L32 Q33 K34 | S28-T30 PolarHBondContact O-N 2.9Å; T30-L32 CarbonylContact O-C 3.53Å; T30-L32 PolarHBondContact O-N 3.37Å; T30-Q33 PolarHBondContact O-N 3.32Å; T30-K34 PolarHBondContact O-N 2.84Å | ||
| 31 | T | 65.2 | Low | 62.5 | Low | 105 Ų | 105 | 118.7 Ų | 118.7 | 64% | 0.644 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -49.3 | -25.3 | -176.2 | -32.8 | 0 | 0 | 0 | 0 | 113.2 | K35 | T31-K35 WeakPolarHBondContact O-CG 3.37Å; T31-K35 PolarHBondContact O-N 3.16Å |
| 32 | L | 67.9 | Low | 64.7 | Low | 115 Ų | 115 | 117.3 Ų | 117.3 | 60% | 0.602 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -66.2 | -46.1 | 172.8 | -60.4 | 175.8 | 0 | 0 | 0 | 113.4 | T30 K34 K35 E36 | T30-L32 CarbonylContact O-C 3.53Å; T30-L32 PolarHBondContact O-N 3.37Å; L32-K34 VanDerWaalsContact C-N 3.31Å; L32-K34 PolarHBondContact O-N 3.45Å; L32-K35 WeakPolarHBondContact O-CB 3.41Å; L32-K35 PolarHBondContact O-N 2.78Å; L32-K35 VanDerWaalsContact O-N 3.16Å; L32-E36 WeakPolarHBondContact O-CG 3.46Å; L32-E36 PolarHBondContact O-N 2.82Å |
| 33 | Q | 72.3 | Confident | 66.3 | Low | 95 Ų | 95 | 118 Ų | 118 | 44% | 0.444 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -67 | -31.6 | 179.9 | -70.7 | -178.1 | -18.8 | 0 | 0 | 112.9 | K29 T30 E37 | K29-Q33 HydrophobicContact CB-CB 4.19Å; T30-Q33 PolarHBondContact O-N 3.32Å; Q33-E37 WeakPolarHBondContact O-CB 3.28Å; Q33-E37 WeakPolarHBondContact O-CG 3.39Å; Q33-E37 PolarHBondContact O-N 2.95Å |
| 34 | K | 76.2 | Confident | 67.9 | Low | 116 Ų | 116 | 116.1 Ų | 116.1 | 50% | 0.504 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -69.1 | -38.7 | 173.6 | -71.4 | -175.4 | 178.4 | -179.3 | 0 | 111.8 | K29 T30 L32 E37 E38 | K29-K34 HydrophobicContact CB-CG 4.02Å; T30-K34 PolarHBondContact O-N 2.84Å; L32-K34 VanDerWaalsContact C-N 3.31Å; L32-K34 PolarHBondContact O-N 3.45Å; K34-E37 PolarHBondContact O-N 2.91Å; K34-E38 WeakPolarHBondContact O-CB 3.32Å; K34-E38 VanDerWaalsContact O-CG 3.28Å; K34-E38 WeakPolarHBondContact O-CG 3.34Å; K34-E38 PolarHBondContact O-N 3.45Å |
| 35 | K | 78.3 | Confident | 69.9 | Low | 113 Ų | 113 | 112.7 Ų | 112.7 | 49% | 0.491 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -65.3 | -43.2 | 173.9 | -72.5 | 178.9 | 177.4 | -169.8 | 0 | 111.2 | T31 L32 E37 E38 E39 | T31-K35 WeakPolarHBondContact O-CG 3.37Å; T31-K35 PolarHBondContact O-N 3.16Å; L32-K35 WeakPolarHBondContact O-CB 3.41Å; L32-K35 PolarHBondContact O-N 2.78Å; L32-K35 VanDerWaalsContact O-N 3.16Å; K35-E37 PolarHBondContact O-N 2.8Å; K35-E38 PolarHBondContact O-N 3.24Å; K35-E39 VanDerWaalsContact O-CB 3.32Å; K35-E39 WeakPolarHBondContact O-CB 3.32Å; K35-E39 WeakPolarHBondContact O-CG 3.21Å; K35-E39 PolarHBondContact O-N 3.47Å |
| 36 | E | 79.9 | Confident | 71.7 | Confident | 111 Ų | 111 | 116.6 Ų | 116.6 | 52% | 0.519 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -61.7 | -42.4 | 175.3 | -71.5 | 170.3 | 176.6 | 0 | 0 | 111.5 | L32 E39 E40 | L32-E36 WeakPolarHBondContact O-CG 3.46Å; L32-E36 PolarHBondContact O-N 2.82Å; E36-E39 PolarHBondContact O-N 2.68Å; E36-E40 WeakPolarHBondContact O-CB 3.49Å; E36-E40 WeakPolarHBondContact O-CG 3.47Å; E36-E40 PolarHBondContact O-N 3.42Å |
| 37 | E | 81.3 | Confident | 73.2 | Confident | 99 Ų | 99 | 121.2 Ų | 121.2 | 46% | 0.463 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -66.4 | -36.8 | 174.6 | -81 | -178.4 | 166.2 | 0 | 0 | 113.2 | K29 Q33 K34 K35 A41 | K29-E37 IonicContact NZ-OE1 3.37Å; K29-E37 PolarHBondContact NZ-OE1 2.7Å; K29-E37 IonicContact NZ-OE2 2.68Å; K29-E37 PolarHBondContact NZ-OE2 3.32Å; Q33-E37 WeakPolarHBondContact O-CB 3.28Å; Q33-E37 WeakPolarHBondContact O-CG 3.39Å; Q33-E37 PolarHBondContact O-N 2.95Å; K34-E37 PolarHBondContact O-N 2.91Å; K35-E37 PolarHBondContact O-N 2.8Å; E37-A41 VanDerWaalsContact O-CB 3.28Å; E37-A41 WeakPolarHBondContact O-CB 3.2Å; E37-A41 PolarHBondContact O-N 3.19Å |
| 38 | E | 81.1 | Confident | 74.7 | Confident | 126 Ų | 126 | 118.9 Ų | 118.9 | 59% | 0.589 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -67.5 | -43.5 | 174.7 | -77.1 | 170.7 | -169.9 | 0 | 0 | 111.3 | K34 K35 A41 E42 | K34-E38 WeakPolarHBondContact O-CB 3.32Å; K34-E38 VanDerWaalsContact O-CG 3.28Å; K34-E38 WeakPolarHBondContact O-CG 3.34Å; K34-E38 PolarHBondContact O-N 3.45Å; K35-E38 PolarHBondContact O-N 3.24Å; E38-A41 PolarHBondContact O-N 2.93Å; E38-E42 PolarHBondContact O-N 3.14Å |
| 39 | E | 81.5 | Confident | 76 | Confident | 118 Ų | 118 | 118.1 Ų | 118.1 | 55% | 0.551 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -64.6 | -40.9 | 175.4 | -72.8 | 172 | -161.5 | 0 | 0 | 111.2 | K35 E36 A41 E42 C43 | K35-E39 VanDerWaalsContact O-CB 3.32Å; K35-E39 WeakPolarHBondContact O-CB 3.32Å; K35-E39 WeakPolarHBondContact O-CG 3.21Å; K35-E39 PolarHBondContact O-N 3.47Å; E36-E39 PolarHBondContact O-N 2.68Å; E39-A41 VanDerWaalsContact C-N 3.34Å; E39-A41 PolarHBondContact O-N 3.35Å; E39-E42 PolarHBondContact O-N 2.89Å; E39-C43 WeakPolarHBondContact O-CB 3.42Å; E39-C43 PolarHBondContact O-N 3.4Å; E39-C43 PolarHBondContact O-SG 3.38Å |
| 40 | E | 83.4 | Confident | 77.2 | Confident | 110 Ų | 110 | 120.1 Ų | 120.1 | 51% | 0.514 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -65.8 | -34.6 | 172.4 | -79 | -170.7 | -164.8 | 0 | 0 | 112.7 | E36 K44 | E36-E40 WeakPolarHBondContact O-CB 3.49Å; E36-E40 WeakPolarHBondContact O-CG 3.47Å; E36-E40 PolarHBondContact O-N 3.42Å; E40-K44 VanDerWaalsContact O-CD 3.31Å; E40-K44 WeakPolarHBondContact O-CD 3.28Å; E40-K44 WeakPolarHBondContact O-CG 3.2Å; E40-K44 PolarHBondContact O-N 3.32Å; E40-K44 VanDerWaalsContact O-N 3.1Å; E40-K44 IonicContact OE2-NZ 3.05Å; E40-K44 PolarHBondContact OE2-NZ 3.5Å |
| 41 | A | 81.4 | Confident | 78.1 | Confident | 58 Ų | 58 | 121.2 Ų | 121.2 | 48% | 0.479 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -71.7 | -37.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | E37 E38 E39 K44 K45 | E37-A41 VanDerWaalsContact O-CB 3.28Å; E37-A41 WeakPolarHBondContact O-CB 3.2Å; E37-A41 PolarHBondContact O-N 3.19Å; E38-A41 PolarHBondContact O-N 2.93Å; E39-A41 VanDerWaalsContact C-N 3.34Å; E39-A41 PolarHBondContact O-N 3.35Å; A41-K44 PolarHBondContact O-N 3.02Å; A41-K45 PolarHBondContact O-N 3.16Å |
| 42 | E | 82.1 | Confident | 78.5 | Confident | 150 Ų | 150 | 120.3 Ų | 120.3 | 70% | 0.701 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -66.5 | -40.7 | 171.3 | -75 | -167.6 | 165.3 | 0 | 0 | 111.6 | E38 E39 K44 K45 | E38-E42 PolarHBondContact O-N 3.14Å; E39-E42 PolarHBondContact O-N 2.89Å; E42-K44 VanDerWaalsContact C-N 3.25Å; E42-K44 PolarHBondContact O-N 2.85Å; E42-K45 WeakPolarHBondContact O-CB 3.31Å; E42-K45 PolarHBondContact O-N 3.1Å |
| 43 | C | 72.6 | Confident | 79.2 | Confident | 116 Ų | 116 | 118.3 Ų | 118.3 | 78% | 0.784 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -64.7 | -28 | 175.4 | -70.2 | 0 | 0 | 0 | 0 | 113.1 | E39 K45 | E39-C43 WeakPolarHBondContact O-CB 3.42Å; E39-C43 PolarHBondContact O-N 3.4Å; E39-C43 PolarHBondContact O-SG 3.38Å; C43-K45 VanDerWaalsContact C-N 3.28Å |
| 44 | K | 77.9 | Confident | 78.9 | Confident | 149 Ų | 149 | 116.1 Ų | 116.1 | 65% | 0.648 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | -12.6 | 174.3 | -72 | 161.8 | -167.1 | 158.6 | 0 | 112.6 | E40 A41 E42 K46 | E40-K44 VanDerWaalsContact O-CD 3.31Å; E40-K44 WeakPolarHBondContact O-CD 3.28Å; E40-K44 WeakPolarHBondContact O-CG 3.2Å; E40-K44 PolarHBondContact O-N 3.32Å; E40-K44 VanDerWaalsContact O-N 3.1Å; E40-K44 IonicContact OE2-NZ 3.05Å; E40-K44 PolarHBondContact OE2-NZ 3.5Å; A41-K44 PolarHBondContact O-N 3.02Å; E42-K44 VanDerWaalsContact C-N 3.25Å; E42-K44 PolarHBondContact O-N 2.85Å; K44-K46 PolarHBondContact O-N 3.41Å; K44-K46 VanDerWaalsContact O-N 3.16Å |
| 45 | K | 81.9 | Confident | 78.5 | Confident | 170 Ų | 170 | 116.5 Ų | 116.5 | 74% | 0.739 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -77.1 | 101.3 | 178.5 | -159.9 | 175.9 | -175.5 | 178.1 | 0 | 109.6 | A41 E42 C43 F47 | A41-K45 PolarHBondContact O-N 3.16Å; E42-K45 WeakPolarHBondContact O-CB 3.31Å; E42-K45 PolarHBondContact O-N 3.1Å; C43-K45 VanDerWaalsContact C-N 3.28Å; K45-F47 PolarHBondContact O-N 3.16Å; K45-F47 VanDerWaalsContact O-N 3.16Å |
| 46 | K | 79.4 | Confident | 77.9 | Confident | 199 Ų | 199 | 115.4 Ų | 115.4 | 87% | 0.865 | 63% | 0.63 | S | S | * | * | trans | -61.6 | 120.7 | 170.9 | -64 | -177 | -178.9 | -179.4 | 0 | 108.3 | K44 G48 | K44-K46 PolarHBondContact O-N 3.41Å; K44-K46 VanDerWaalsContact O-N 3.16Å; K46-G48 PolarHBondContact O-N 3.31Å | ||
| 47 | F | 74.9 | Confident | 77.1 | Confident | 205 Ų | 205 | 116 Ų | 116 | 90% | 0.899 | 64% | 0.636 | S | S | * | * | trans | -62.9 | 98.3 | -179.6 | -170.4 | -96.4 | 0 | 0 | 0 | 109.6 | K45 | K45-F47 PolarHBondContact O-N 3.16Å; K45-F47 VanDerWaalsContact O-N 3.16Å | ||
| 48 | G | 79.4 | Confident | 76.5 | Confident | 60 Ų | 60 | 116.8 Ų | 116.8 | 62% | 0.619 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -93 | 133.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109 | K46 | K46-G48 PolarHBondContact O-N 3.31Š|
| 49 | A | 81.4 | Confident | 76.2 | Confident | 89 Ų | 89 | 113.6 Ų | 113.6 | 74% | 0.736 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 141.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 50 | V | 81.3 | Confident | 76 | Confident | 131 Ų | 131 | 112.4 Ų | 112.4 | 79% | 0.794 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 127.6 | 171 | 179.2 | 0 | 0 | 0 | 0 | 107.7 | V52 | V50-V52 PolarHBondContact O-N 3.3Š|
| 51 | P | 81 | Confident | 75.8 | Confident | 110 Ų | 110 | 114.6 Ų | 114.6 | 71% | 0.714 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 140.6 | -178.8 | 24.8 | -33.8 | 0 | 0 | 0 | 109.7 | ||
| 52 | V | 73.5 | Confident | 75.8 | Confident | 87 Ų | 87 | 117.4 Ų | 117.4 | 53% | 0.527 | 63% | 0.634 | S | S | . | * | P | Polyproline II helix | trans | -60.2 | 130.5 | -175.4 | -172.8 | 0 | 0 | 0 | 0 | 108.9 | V50 G54 V56 | V50-V52 PolarHBondContact O-N 3.3Å; V52-G54 PolarHBondContact O-N 2.89Å; V52-V56 HydrophobicContact CG1-CB 3.53Å; V52-V56 HydrophobicContact CG1-CG1 3.68Å; V52-V56 HydrophobicContact CG1-CG2 3.8Å |
| 53 | P | 81.9 | Confident | 76 | Confident | 72 Ų | 72 | 115.4 Ų | 115.4 | 47% | 0.468 | 63% | 0.625 | S | S | . | * | P | Polyproline II helix | trans | -50 | 136.5 | 176.6 | -30.5 | 36.8 | 0 | 0 | 0 | 112.6 | H55 V56 | P53-H55 WeakPolarHBondContact CB-CE1 3.43Å; P53-H55 WeakPolarHBondContact CB-ND1 3.36Å; P53-H55 PolarHBondContact O-N 3.37Å; P53-V56 WeakPolarHBondContact O-CB 3.43Å; P53-V56 PolarHBondContact O-N 2.6Å |
| 54 | G | 67.4 | Low | 76.5 | Confident | 49 Ų | 49 | 114.5 Ų | 114.5 | 51% | 0.505 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -58.8 | -22.9 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | V52 V56 I57 Q58 | V52-G54 PolarHBondContact O-N 2.89Å; G54-V56 PolarHBondContact O-N 3.03Å; G54-I57 WeakPolarHBondContact O-CA 3.5Å; G54-I57 WeakPolarHBondContact O-CB 3.47Å; G54-I57 PolarHBondContact O-N 3.42Å; G54-Q58 PolarHBondContact O-N 2.97Å; G54-Q58 VanDerWaalsContact O-N 3.11Å |
| 55 | H | 67.7 | Low | 76.9 | Confident | 124 Ų | 124 | 110.5 Ų | 110.5 | 57% | 0.574 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -67.6 | -19.6 | 174.7 | 69.3 | -91.8 | 0 | 0 | 0 | 113.3 | P53 | P53-H55 WeakPolarHBondContact CB-CE1 3.43Å; P53-H55 WeakPolarHBondContact CB-ND1 3.36Å; P53-H55 PolarHBondContact O-N 3.37Å |
| 56 | V | 64.7 | Low | 77.4 | Confident | 91 Ų | 91 | 108.1 Ų | 108.1 | 55% | 0.552 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -82.8 | -21.9 | 172.3 | -173.2 | 0 | 0 | 0 | 0 | 110.9 | V52 P53 G54 | V52-V56 HydrophobicContact CG1-CB 3.53Å; V52-V56 HydrophobicContact CG1-CG1 3.68Å; V52-V56 HydrophobicContact CG1-CG2 3.8Å; P53-V56 WeakPolarHBondContact O-CB 3.43Å; P53-V56 PolarHBondContact O-N 2.6Å; G54-V56 PolarHBondContact O-N 3.03Å |
| 57 | I | 64.4 | Low | 78 | Confident | 124 Ų | 124 | 102.5 Ų | 102.5 | 64% | 0.636 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -85.7 | -22.5 | 178 | -53.9 | 175.4 | 0 | 0 | 0 | 111 | G54 P59 | G54-I57 WeakPolarHBondContact O-CA 3.5Å; G54-I57 WeakPolarHBondContact O-CB 3.47Å; G54-I57 PolarHBondContact O-N 3.42Å; I57-P59 WeakPolarHBondContact O-CD 3.34Å |
| 58 | Q | 68.4 | Low | 78.8 | Confident | 114 Ų | 114 | 99.1 Ų | 99.1 | 53% | 0.533 | 55% | 0.549 | S | S | . | . | S | Bend | trans | -62.5 | 120.2 | 170 | -75.2 | -177.9 | -24.4 | 0 | 0 | 109.2 | G54 I60 | G54-Q58 PolarHBondContact O-N 2.97Å; G54-Q58 VanDerWaalsContact O-N 3.11Å; Q58-I60 PolarHBondContact O-N 3.48Å |
| 59 | P | 73.7 | Confident | 79.5 | Confident | 60 Ų | 60 | 100.2 Ų | 100.2 | 39% | 0.39 | 54% | 0.538 | S | S | . | . | trans | -77.4 | 72.1 | -179.8 | 33.2 | -34.1 | 0 | 0 | 0 | 108.8 | I57 Y61 Q62 | I57-P59 WeakPolarHBondContact O-CD 3.34Å; P59-Y61 CarbonylContact O-C 3.44Å; P59-Y61 PolarHBondContact O-N 3.15Å; P59-Q62 HydrophobicContact CB-CB 4.19Å; P59-Q62 HydrophobicContact CB-CG 3.88Å; P59-Q62 HydrophobicContact CG-CB 4.24Å; P59-Q62 HydrophobicContact CG-CG 4.2Å; P59-Q62 WeakPolarHBondContact O-CA 3.48Å; P59-Q62 WeakPolarHBondContact O-CB 3.5Å; P59-Q62 PolarHBondContact O-N 3.03Å | ||
| 60 | I | 77.1 | Confident | 80.1 | Confident | 93 Ų | 93 | 99.9 Ų | 99.9 | 48% | 0.477 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -47.2 | -32.3 | 177.1 | -64.4 | 163.8 | 0 | 0 | 0 | 110.9 | Q58 M64 | Q58-I60 PolarHBondContact O-N 3.48Å; I60-M64 HydrophobicContact CG2-CG 4.38Å; I60-M64 HydrophobicContact CG2-SD 4.49Å; I60-M64 WeakPolarHBondContact O-CB 3.43Å; I60-M64 VanDerWaalsContact O-CG 3.31Å; I60-M64 WeakPolarHBondContact O-CG 3.43Å; I60-M64 PolarHBondContact O-N 3.23Å |
| 61 | Y | 79.4 | Confident | 80.7 | Confident | 155 Ų | 155 | 99.4 Ų | 99.4 | 61% | 0.608 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.6 | -41.7 | 173.7 | -176 | -102.7 | 0 | 0 | 0 | 114.2 | P59 M64 M65 | P59-Y61 CarbonylContact O-C 3.44Å; P59-Y61 PolarHBondContact O-N 3.15Å; Y61-M64 HydrophobicContact CD2-CE 4.2Å; Y61-M64 PolarHBondContact O-N 3.05Å; Y61-M65 HydrophobicContact CD1-CG 4.16Å; Y61-M65 HydrophobicContact CD2-CG 4.46Å; Y61-M65 HydrophobicContact CE1-CG 3.76Å; Y61-M65 HydrophobicContact CE2-CG 4.09Å; Y61-M65 HydrophobicContact CE2-SD 4.28Å; Y61-M65 HydrophobicContact CG-CG 4.49Å; Y61-M65 WeakPolarHBondContact O-CB 3.48Å; Y61-M65 WeakPolarHBondContact O-CG 3.37Å; Y61-M65 PolarHBondContact O-N 3.11Å |
| 62 | Q | 81.7 | Confident | 81.4 | Confident | 118 Ų | 118 | 100.9 Ų | 100.9 | 55% | 0.551 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.7 | -45.8 | 178.3 | -69.9 | 175 | 3.1 | 0 | 0 | 110.9 | P59 M64 M65 E66 | P59-Q62 HydrophobicContact CB-CB 4.19Å; P59-Q62 HydrophobicContact CB-CG 3.88Å; P59-Q62 HydrophobicContact CG-CB 4.24Å; P59-Q62 HydrophobicContact CG-CG 4.2Å; P59-Q62 WeakPolarHBondContact O-CA 3.48Å; P59-Q62 WeakPolarHBondContact O-CB 3.5Å; P59-Q62 PolarHBondContact O-N 3.03Å; Q62-M64 PolarHBondContact O-N 3.46Å; Q62-M65 WeakPolarHBondContact O-CB 3.33Å; Q62-M65 PolarHBondContact O-N 2.97Å; Q62-M65 VanDerWaalsContact O-N 3.09Å; Q62-E66 WeakPolarHBondContact O-CG 3.5Å; Q62-E66 PolarHBondContact O-N 3.41Å |
| 63 | E | 86.1 | Confident | 82.4 | Confident | 108 Ų | 108 | 102 Ų | 102 | 51% | 0.505 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.2 | -44.9 | 176.9 | -65.7 | 178.2 | -176.7 | 0 | 0 | 111.7 | M65 E66 V67 | E63-M65 PolarHBondContact O-N 3.17Å; E63-E66 PolarHBondContact O-N 3.21Å; E63-V67 WeakPolarHBondContact O-CG2 3.15Å; E63-V67 PolarHBondContact O-N 3.48Å |
| 64 | M | 83.9 | Confident | 83 | Confident | 97 Ų | 97 | 104 Ų | 104 | 48% | 0.478 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.2 | -35.1 | 174.2 | -75.2 | -166.3 | -52 | 0 | 0 | 112.6 | I60 Y61 Q62 R68 | I60-M64 HydrophobicContact CG2-CG 4.38Å; I60-M64 HydrophobicContact CG2-SD 4.49Å; I60-M64 WeakPolarHBondContact O-CB 3.43Å; I60-M64 VanDerWaalsContact O-CG 3.31Å; I60-M64 WeakPolarHBondContact O-CG 3.43Å; I60-M64 PolarHBondContact O-N 3.23Å; Y61-M64 HydrophobicContact CD2-CE 4.2Å; Y61-M64 PolarHBondContact O-N 3.05Å; Q62-M64 PolarHBondContact O-N 3.46Å; M64-R68 WeakPolarHBondContact O-CB 3.23Å; M64-R68 PolarHBondContact O-N 3.24Å; M64-R68 VanDerWaalsContact O-N 3.11Å |
| 65 | M | 85.8 | Confident | 84.4 | Confident | 64 Ų | 64 | 103.1 Ų | 103.1 | 32% | 0.315 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -72.7 | -39.2 | 179 | -75.5 | -62.7 | -65.7 | 0 | 0 | 111.9 | Y61 Q62 E63 R68 E69 | Y61-M65 HydrophobicContact CD1-CG 4.16Å; Y61-M65 HydrophobicContact CD2-CG 4.46Å; Y61-M65 HydrophobicContact CE1-CG 3.76Å; Y61-M65 HydrophobicContact CE2-CG 4.09Å; Y61-M65 HydrophobicContact CE2-SD 4.28Å; Y61-M65 HydrophobicContact CG-CG 4.49Å; Y61-M65 WeakPolarHBondContact O-CB 3.48Å; Y61-M65 WeakPolarHBondContact O-CG 3.37Å; Y61-M65 PolarHBondContact O-N 3.11Å; Q62-M65 WeakPolarHBondContact O-CB 3.33Å; Q62-M65 PolarHBondContact O-N 2.97Å; Q62-M65 VanDerWaalsContact O-N 3.09Å; E63-M65 PolarHBondContact O-N 3.17Å; M65-R68 PolarHBondContact O-N 3.45Å; M65-E69 WeakPolarHBondContact O-CB 3.28Å; M65-E69 PolarHBondContact O-N 3.27Å |
| 66 | E | 91.5 | Very high | 85.7 | Confident | 120 Ų | 120 | 103.7 Ų | 103.7 | 56% | 0.561 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.5 | -44.6 | 174.8 | -73.1 | 179.2 | -174.2 | 0 | 0 | 111.8 | Q62 E63 R68 E69 N70 | Q62-E66 WeakPolarHBondContact O-CG 3.5Å; Q62-E66 PolarHBondContact O-N 3.41Å; E63-E66 PolarHBondContact O-N 3.21Å; E66-R68 PolarHBondContact O-N 3.24Å; E66-E69 PolarHBondContact O-N 3.11Å; E66-N70 VanDerWaalsContact O-CG 3.27Å; E66-N70 PolarHBondContact O-N 3.22Å; E66-N70 PolarHBondContact O-ND2 3.35Å |
| 67 | V | 92.6 | Very high | 87.1 | Confident | 81 Ų | 81 | 104.8 Ų | 104.8 | 49% | 0.491 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.6 | -48.9 | 174.8 | 172.9 | 0 | 0 | 0 | 0 | 110.5 | E63 E69 N70 E71 | E63-V67 WeakPolarHBondContact O-CG2 3.15Å; E63-V67 PolarHBondContact O-N 3.48Å; V67-E69 VanDerWaalsContact C-N 3.27Å; V67-E69 PolarHBondContact O-N 2.81Å; V67-N70 PolarHBondContact O-N 3.4Å; V67-E71 WeakPolarHBondContact O-CG 3.36Å; V67-E71 PolarHBondContact O-N 3.13Å |
| 68 | R | 91.8 | Very high | 88.6 | Confident | 134 Ų | 134 | 105 Ų | 105 | 51% | 0.506 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.4 | -32.8 | 178.2 | -170.3 | -176.6 | -64.5 | 172.4 | 0.4 | 112.7 | M64 M65 E66 R72 | M64-R68 WeakPolarHBondContact O-CB 3.23Å; M64-R68 PolarHBondContact O-N 3.24Å; M64-R68 VanDerWaalsContact O-N 3.11Å; M65-R68 PolarHBondContact O-N 3.45Å; E66-R68 PolarHBondContact O-N 3.24Å; R68-R72 WeakPolarHBondContact O-CB 3.32Å; R68-R72 PolarHBondContact O-N 2.88Å; R68-R72 VanDerWaalsContact O-N 3.11Å |
| 69 | E | 93.8 | Very high | 89.8 | Confident | 83 Ų | 83 | 107.9 Ų | 107.9 | 39% | 0.388 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -70.5 | -40.8 | 175.5 | -173.3 | 176.6 | 163.5 | 0 | 0 | 111.9 | M65 E66 V67 R72 K73 | M65-E69 WeakPolarHBondContact O-CB 3.28Å; M65-E69 PolarHBondContact O-N 3.27Å; E66-E69 PolarHBondContact O-N 3.11Å; V67-E69 VanDerWaalsContact C-N 3.27Å; V67-E69 PolarHBondContact O-N 2.81Å; E69-R72 WeakPolarHBondContact O-CB 3.34Å; E69-R72 PolarHBondContact O-N 3.38Å; E69-K73 HydrophobicContact CG-CD 4.4Å; E69-K73 WeakPolarHBondContact O-CG 3.42Å; E69-K73 PolarHBondContact O-N 3.24Å; E69-K73 WeakPolarHBondContact OE1-CE 3.46Å; E69-K73 IonicContact OE1-NZ 3.77Å; E69-K73 PolarHBondContact OE1-NZ 3.07Å |
| 70 | N | 94.8 | Very high | 90.8 | Very high | 82 Ų | 82 | 110.8 Ų | 110.8 | 44% | 0.439 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.7 | -43.7 | 175.8 | -69.9 | -24.8 | 0 | 0 | 0 | 111.5 | E66 V67 R72 K73 Q74 | E66-N70 VanDerWaalsContact O-CG 3.27Å; E66-N70 PolarHBondContact O-N 3.22Å; E66-N70 PolarHBondContact O-ND2 3.35Å; V67-N70 PolarHBondContact O-N 3.4Å; N70-R72 VanDerWaalsContact C-N 3.29Å; N70-R72 PolarHBondContact O-N 3.13Å; N70-K73 PolarHBondContact O-N 2.87Å; N70-Q74 WeakPolarHBondContact O-CG 3.36Å; N70-Q74 PolarHBondContact O-N 3.47Å |
| 71 | E | 94.2 | Very high | 91.6 | Very high | 122 Ų | 122 | 112.1 Ų | 112.1 | 57% | 0.57 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -58.4 | -41.7 | 172.8 | -71.5 | 174.5 | 167 | 0 | 0 | 111.7 | V67 G75 | V67-E71 WeakPolarHBondContact O-CG 3.36Å; V67-E71 PolarHBondContact O-N 3.13Å; E71-G75 PolarHBondContact O-N 2.8Å |
| 72 | R | 94.4 | Very high | 92.2 | Very high | 141 Ų | 141 | 110.7 Ų | 110.7 | 53% | 0.532 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.7 | -40.7 | 177.1 | -165 | -173 | -52.4 | 110.6 | 7.5 | 111.8 | R68 E69 N70 H76 | R68-R72 WeakPolarHBondContact O-CB 3.32Å; R68-R72 PolarHBondContact O-N 2.88Å; R68-R72 VanDerWaalsContact O-N 3.11Å; E69-R72 WeakPolarHBondContact O-CB 3.34Å; E69-R72 PolarHBondContact O-N 3.38Å; N70-R72 VanDerWaalsContact C-N 3.29Å; N70-R72 PolarHBondContact O-N 3.13Å; R72-H76 WeakPolarHBondContact O-CB 3.42Å; R72-H76 PolarHBondContact O-N 3.26Å; R72-H76 VanDerWaalsContact O-N 3.09Å |
| 73 | K | 95.6 | Very high | 92.6 | Very high | 110 Ų | 110 | 110.2 Ų | 110.2 | 48% | 0.478 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.5 | -48.8 | 177.2 | -74.8 | 172.1 | -177.6 | 163.2 | 0 | 111 | E69 N70 G75 H76 E77 | E69-K73 HydrophobicContact CG-CD 4.4Å; E69-K73 WeakPolarHBondContact O-CG 3.42Å; E69-K73 PolarHBondContact O-N 3.24Å; E69-K73 WeakPolarHBondContact OE1-CE 3.46Å; E69-K73 IonicContact OE1-NZ 3.77Å; E69-K73 PolarHBondContact OE1-NZ 3.07Å; N70-K73 PolarHBondContact O-N 2.87Å; K73-G75 PolarHBondContact O-N 3.34Å; K73-H76 WeakPolarHBondContact O-CB 3.46Å; K73-H76 PolarHBondContact O-N 3.27Å; K73-H76 VanDerWaalsContact O-N 3.11Å; K73-E77 PolarHBondContact O-N 2.93Å |
| 74 | Q | 94.9 | Very high | 92.6 | Very high | 115 Ų | 115 | 109.8 Ų | 109.8 | 54% | 0.537 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.9 | -45.3 | 177.4 | -71.3 | 177.7 | 11 | 0 | 0 | 111.8 | N70 H76 E77 Q78 | N70-Q74 WeakPolarHBondContact O-CG 3.36Å; N70-Q74 PolarHBondContact O-N 3.47Å; Q74-H76 VanDerWaalsContact C-N 3.26Å; Q74-H76 PolarHBondContact O-N 3.24Å; Q74-E77 PolarHBondContact O-N 3.43Å; Q74-Q78 WeakPolarHBondContact O-CB 3.42Å; Q74-Q78 VanDerWaalsContact O-CG 3.31Å; Q74-Q78 WeakPolarHBondContact O-CG 3.5Å; Q74-Q78 PolarHBondContact O-N 3.1Å |
| 75 | G | 95.2 | Very high | 92.6 | Very high | 29 Ų | 29 | 109.4 Ų | 109.4 | 30% | 0.299 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.4 | -31.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | E71 K73 R79 | E71-G75 PolarHBondContact O-N 2.8Å; K73-G75 PolarHBondContact O-N 3.34Å; G75-R79 WeakPolarHBondContact O-CB 3.19Å; G75-R79 PolarHBondContact O-N 3.06Å |
| 76 | H | 94.9 | Very high | 92.5 | Very high | 137 Ų | 137 | 111.1 Ų | 111.1 | 63% | 0.634 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -72.7 | -39.6 | 174.1 | -167.3 | -62.6 | 0 | 0 | 0 | 111.8 | R72 K73 Q74 K80 | R72-H76 WeakPolarHBondContact O-CB 3.42Å; R72-H76 PolarHBondContact O-N 3.26Å; R72-H76 VanDerWaalsContact O-N 3.09Å; K73-H76 WeakPolarHBondContact O-CB 3.46Å; K73-H76 PolarHBondContact O-N 3.27Å; K73-H76 VanDerWaalsContact O-N 3.11Å; Q74-H76 VanDerWaalsContact C-N 3.26Å; Q74-H76 PolarHBondContact O-N 3.24Å; H76-K80 WeakPolarHBondContact O-CB 3.36Å; H76-K80 PolarHBondContact O-N 3.47Å |
| 77 | E | 95.3 | Very high | 91.9 | Very high | 114 Ų | 114 | 110.4 Ų | 110.4 | 53% | 0.533 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.9 | -48.3 | 179 | -167.8 | 151.3 | -138.5 | 0 | 0 | 111.5 | K73 Q74 R79 K80 E81 | K73-E77 PolarHBondContact O-N 2.93Å; Q74-E77 PolarHBondContact O-N 3.43Å; E77-R79 VanDerWaalsContact C-N 3.28Å; E77-R79 PolarHBondContact O-N 3.13Å; E77-K80 WeakPolarHBondContact O-CA 3.5Å; E77-K80 WeakPolarHBondContact O-CB 3.22Å; E77-K80 PolarHBondContact O-N 3.28Å; E77-E81 WeakPolarHBondContact O-CG 2.89Å; E77-E81 PolarHBondContact O-N 3.46Å |
| 78 | Q | 94.8 | Very high | 90.9 | Very high | 127 Ų | 127 | 115.3 Ų | 115.3 | 59% | 0.593 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -56.2 | -42.2 | 174.2 | -71.1 | 175.2 | 3.2 | 0 | 0 | 112.2 | Q74 E81 F82 | Q74-Q78 WeakPolarHBondContact O-CB 3.42Å; Q74-Q78 VanDerWaalsContact O-CG 3.31Å; Q74-Q78 WeakPolarHBondContact O-CG 3.5Å; Q74-Q78 PolarHBondContact O-N 3.1Å; Q78-E81 PolarHBondContact O-N 3.48Å; Q78-F82 VanDerWaalsContact O-CB 3.23Å; Q78-F82 WeakPolarHBondContact O-CB 3.49Å; Q78-F82 PolarHBondContact O-N 3.2Å |
| 79 | R | 94.4 | Very high | 90 | Very high | 175 Ų | 175 | 113 Ų | 113 | 66% | 0.66 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -67.7 | -37.3 | 177.6 | -164.1 | 176.3 | -56.5 | -158.2 | 0.1 | 111.8 | G75 E77 L83 | G75-R79 WeakPolarHBondContact O-CB 3.19Å; G75-R79 PolarHBondContact O-N 3.06Å; E77-R79 VanDerWaalsContact C-N 3.28Å; E77-R79 PolarHBondContact O-N 3.13Å; R79-L83 HydrophobicContact CG-CD1 4.49Å; R79-L83 WeakPolarHBondContact O-CB 3.38Å; R79-L83 WeakPolarHBondContact O-CG 3.32Å; R79-L83 PolarHBondContact O-N 2.9Å |
| 80 | K | 94.5 | Very high | 88.1 | Confident | 122 Ų | 122 | 114.7 Ų | 114.7 | 53% | 0.53 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.2 | -47.7 | 175.5 | -178.3 | -173.3 | 174.3 | -167.2 | 0 | 110.7 | H76 E77 F82 L83 L84 | H76-K80 WeakPolarHBondContact O-CB 3.36Å; H76-K80 PolarHBondContact O-N 3.47Å; E77-K80 WeakPolarHBondContact O-CA 3.5Å; E77-K80 WeakPolarHBondContact O-CB 3.22Å; E77-K80 PolarHBondContact O-N 3.28Å; K80-F82 PolarHBondContact O-N 3.43Å; K80-L83 PolarHBondContact O-N 3.48Å; K80-L84 HydrophobicContact CG-CD1 4.21Å; K80-L84 VanDerWaalsContact O-CG 3.3Å; K80-L84 WeakPolarHBondContact O-CG 3.32Å; K80-L84 PolarHBondContact O-N 3.08Å |
| 81 | E | 93.6 | Very high | 86.5 | Confident | 121 Ų | 121 | 115.6 Ų | 115.6 | 57% | 0.565 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -62.1 | -42.7 | 177.7 | -70.5 | -179.5 | 169.7 | 0 | 0 | 112 | E77 Q78 L83 L84 S85 | E77-E81 WeakPolarHBondContact O-CG 2.89Å; E77-E81 PolarHBondContact O-N 3.46Å; Q78-E81 PolarHBondContact O-N 3.48Å; E81-L83 PolarHBondContact O-N 2.86Å; E81-L84 PolarHBondContact O-N 3.43Å; E81-S85 PolarHBondContact O-N 3.02Å |
| 82 | F | 92.5 | Very high | 84.7 | Confident | 125 Ų | 125 | 113.8 Ų | 113.8 | 55% | 0.548 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.5 | -40.9 | 174.9 | 179.2 | -104.4 | 0 | 0 | 0 | 112.8 | Q78 K80 L84 S85 I86 | Q78-F82 VanDerWaalsContact O-CB 3.23Å; Q78-F82 WeakPolarHBondContact O-CB 3.49Å; Q78-F82 PolarHBondContact O-N 3.2Å; K80-F82 PolarHBondContact O-N 3.43Å; F82-L84 VanDerWaalsContact C-N 3.34Å; F82-S85 PolarHBondContact O-N 3.1Å; F82-S85 PolarHBondContact O-OG 3.05Å; F82-I86 HydrophobicContact CD1-CD1 3.73Å; F82-I86 HydrophobicContact CD2-CD1 4.11Å; F82-I86 HydrophobicContact CE1-CD1 3.23Å; F82-I86 HydrophobicContact CE2-CD1 3.65Å; F82-I86 HydrophobicContact CE2-CG1 4.45Å; F82-I86 HydrophobicContact CG-CD1 4.17Å; F82-I86 HydrophobicContact CZ-CD1 3.2Å; F82-I86 HydrophobicContact CZ-CG1 4.41Å; F82-I86 WeakPolarHBondContact O-CB 3.29Å; F82-I86 WeakPolarHBondContact O-CG1 3.45Å; F82-I86 PolarHBondContact O-N 2.86Å |
| 83 | L | 90.4 | Very high | 83.2 | Confident | 108 Ų | 108 | 110.3 Ų | 110.3 | 57% | 0.565 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.9 | -38.3 | 175.2 | -73.6 | 171.6 | 0 | 0 | 0 | 111.7 | R79 K80 E81 I86 Q87 | R79-L83 HydrophobicContact CG-CD1 4.49Å; R79-L83 WeakPolarHBondContact O-CB 3.38Å; R79-L83 WeakPolarHBondContact O-CG 3.32Å; R79-L83 PolarHBondContact O-N 2.9Å; K80-L83 PolarHBondContact O-N 3.48Å; E81-L83 PolarHBondContact O-N 2.86Å; L83-I86 PolarHBondContact O-N 3.35Å; L83-Q87 WeakPolarHBondContact O-CB 3.43Å; L83-Q87 PolarHBondContact O-N 3.12Å |
| 84 | L | 86.2 | Confident | 81.9 | Confident | 99 Ų | 99 | 112.5 Ų | 112.5 | 52% | 0.518 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -68.3 | -35.5 | 176.2 | -70.7 | 170.6 | 0 | 0 | 0 | 112.2 | K80 E81 F82 Q87 | K80-L84 HydrophobicContact CG-CD1 4.21Å; K80-L84 VanDerWaalsContact O-CG 3.3Å; K80-L84 WeakPolarHBondContact O-CG 3.32Å; K80-L84 PolarHBondContact O-N 3.08Å; E81-L84 PolarHBondContact O-N 3.43Å; F82-L84 VanDerWaalsContact C-N 3.34Å; L84-Q87 WeakPolarHBondContact O-CB 3.47Å; L84-Q87 PolarHBondContact O-N 2.98Å |
| 85 | S | 84 | Confident | 80.5 | Confident | 89 Ų | 89 | 113.9 Ų | 113.9 | 62% | 0.622 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -73 | -31.6 | 176.6 | 71.3 | 0 | 0 | 0 | 0 | 112.8 | E81 F82 | E81-S85 PolarHBondContact O-N 3.02Å; F82-S85 PolarHBondContact O-N 3.1Å; F82-S85 PolarHBondContact O-OG 3.05Å |
| 86 | I | 83.7 | Confident | 79.4 | Confident | 100 Ų | 100 | 114.8 Ų | 114.8 | 51% | 0.513 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -78 | -23.7 | 174.6 | -70.7 | 174.9 | 0 | 0 | 0 | 112.1 | F82 L83 K88 | F82-I86 HydrophobicContact CD1-CD1 3.73Å; F82-I86 HydrophobicContact CD2-CD1 4.11Å; F82-I86 HydrophobicContact CE1-CD1 3.23Å; F82-I86 HydrophobicContact CE2-CD1 3.65Å; F82-I86 HydrophobicContact CE2-CG1 4.45Å; F82-I86 HydrophobicContact CG-CD1 4.17Å; F82-I86 HydrophobicContact CZ-CD1 3.2Å; F82-I86 HydrophobicContact CZ-CG1 4.41Å; F82-I86 WeakPolarHBondContact O-CB 3.29Å; F82-I86 WeakPolarHBondContact O-CG1 3.45Å; F82-I86 PolarHBondContact O-N 2.86Å; L83-I86 PolarHBondContact O-N 3.35Å; I86-K88 PolarHBondContact O-N 3Å |
| 87 | Q | 79.1 | Confident | 78.4 | Confident | 105 Ų | 105 | 113.4 Ų | 113.4 | 49% | 0.491 | 54% | 0.543 | S | S | . | . | trans | -65.5 | 85.1 | 172.7 | -173.5 | 179 | -3.4 | 0 | 0 | 109.4 | L83 L84 P89 | L83-Q87 WeakPolarHBondContact O-CB 3.43Å; L83-Q87 PolarHBondContact O-N 3.12Å; L84-Q87 WeakPolarHBondContact O-CB 3.47Å; L84-Q87 PolarHBondContact O-N 2.98Å; Q87-P89 WeakPolarHBondContact O-CD 3.43Å | ||
| 88 | K | 70.8 | Confident | 77.4 | Confident | 184 Ų | 184 | 111.7 Ų | 111.7 | 80% | 0.8 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 118.7 | 162.7 | -77.5 | -175.7 | 175.8 | -178.9 | 0 | 106.9 | I86 F90 | I86-K88 PolarHBondContact O-N 3Å; K88-F90 PolarHBondContact O-N 3.37Å |
| 89 | P | 72.3 | Confident | 76.5 | Confident | 86 Ų | 86 | 111.6 Ų | 111.6 | 56% | 0.558 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -60.4 | 116.4 | 173.4 | 26.8 | -33.1 | 0 | 0 | 0 | 106.3 | Q87 E93 | Q87-P89 WeakPolarHBondContact O-CD 3.43Å; P89-E93 HydrophobicContact CB-CB 4.24Å; P89-E93 VanDerWaalsContact CB-OE2 3.31Å; P89-E93 WeakPolarHBondContact CB-OE2 3.45Å |
| 90 | F | 55.1 | Low | 75.7 | Confident | 118 Ų | 118 | 111.5 Ų | 111.5 | 52% | 0.518 | 54% | 0.535 | S | S | . | . | P | Polyproline II helix | trans | -54.1 | 144.5 | 162.4 | 44.2 | -105.2 | 0 | 0 | 0 | 106.6 | K88 F92 E93 | K88-F90 PolarHBondContact O-N 3.37Å; F90-F92 HydrophobicContact CD2-CB 3.19Å; F90-F92 HydrophobicContact CD2-CG 4.42Å; F90-F92 HydrophobicContact CE2-CB 3.58Å; F90-F92 HydrophobicContact CE2-CD1 4.45Å; F90-F92 HydrophobicContact CE2-CG 4.49Å; F90-F92 HydrophobicContact CG-CB 4.21Å; F90-F92 PolarHBondContact O-N 3.47Å; F90-E93 HydrophobicContact CD2-CB 4.49Å; F90-E93 HydrophobicContact CE2-CB 4.23Å; F90-E93 PolarHBondContact O-N 3.2Å |
| 91 | S | 60.7 | Low | 75 | Confident | 101 Ų | 101 | 111.6 Ų | 111.6 | 71% | 0.706 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | 3.9 | 177.4 | 64.6 | 0 | 0 | 0 | 0 | 114 | ||
| 92 | F | 56.3 | Low | 74.2 | Confident | 84 Ų | 84 | 111.8 Ų | 111.8 | 37% | 0.368 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -82.3 | -13.2 | 167.9 | -146.6 | -86.3 | 0 | 0 | 0 | 113.3 | F90 R95 D96 | F90-F92 HydrophobicContact CD2-CB 3.19Å; F90-F92 HydrophobicContact CD2-CG 4.42Å; F90-F92 HydrophobicContact CE2-CB 3.58Å; F90-F92 HydrophobicContact CE2-CD1 4.45Å; F90-F92 HydrophobicContact CE2-CG 4.49Å; F90-F92 HydrophobicContact CG-CB 4.21Å; F90-F92 PolarHBondContact O-N 3.47Å; F92-R95 HydrophobicContact CD1-CB 4.43Å; F92-R95 HydrophobicContact CG-CB 4.27Å; F92-R95 CarbonylContact O-C 3.58Å; F92-R95 WeakPolarHBondContact O-CB 3.32Å; F92-R95 PolarHBondContact O-N 2.84Å; F92-D96 HydrophobicContact CD1-CB 4.24Å; F92-D96 WeakPolarHBondContact CE1-OD1 3.45Å; F92-D96 WeakPolarHBondContact O-CB 3.39Å; F92-D96 PolarHBondContact O-N 2.94Å |
| 93 | E | 64.1 | Low | 73.3 | Confident | 67 Ų | 67 | 109.4 Ų | 109.4 | 31% | 0.313 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.9 | -40.6 | 176.8 | -173 | 178.1 | 160.8 | 0 | 0 | 110.8 | P89 F90 R95 D96 K97 | P89-E93 HydrophobicContact CB-CB 4.24Å; P89-E93 VanDerWaalsContact CB-OE2 3.31Å; P89-E93 WeakPolarHBondContact CB-OE2 3.45Å; F90-E93 HydrophobicContact CD2-CB 4.49Å; F90-E93 HydrophobicContact CE2-CB 4.23Å; F90-E93 PolarHBondContact O-N 3.2Å; E93-R95 VanDerWaalsContact C-N 3.32Å; E93-D96 PolarHBondContact O-N 3.02Å; E93-K97 HydrophobicContact CG-CD 4.31Å; E93-K97 HydrophobicContact CG-CG 4.46Å; E93-K97 VanDerWaalsContact O-CB 3.27Å; E93-K97 WeakPolarHBondContact O-CB 3.43Å; E93-K97 VanDerWaalsContact O-CG 3.31Å; E93-K97 WeakPolarHBondContact O-CG 3.48Å; E93-K97 PolarHBondContact O-N 2.84Å; E93-K97 WeakPolarHBondContact OE1-CE 3.45Å; E93-K97 IonicContact OE1-NZ 3.25Å; E93-K97 PolarHBondContact OE1-NZ 3.22Å |
| 94 | E | 66.4 | Low | 72.5 | Confident | 157 Ų | 157 | 107.7 Ų | 107.7 | 73% | 0.734 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.4 | -39.2 | 169.8 | -71.2 | 177.6 | 173.7 | 0 | 0 | 111.3 | N98 | E94-N98 WeakPolarHBondContact O-CB 3.42Å; E94-N98 PolarHBondContact O-N 2.6Å |
| 95 | R | 67.2 | Low | 71.9 | Confident | 144 Ų | 144 | 105.3 Ų | 105.3 | 54% | 0.543 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.7 | -41.1 | 175.9 | -172.8 | -178.7 | -69.3 | 144.6 | 0.2 | 112.1 | F92 E93 K99 | F92-R95 HydrophobicContact CD1-CB 4.43Å; F92-R95 HydrophobicContact CG-CB 4.27Å; F92-R95 CarbonylContact O-C 3.58Å; F92-R95 WeakPolarHBondContact O-CB 3.32Å; F92-R95 PolarHBondContact O-N 2.84Å; E93-R95 VanDerWaalsContact C-N 3.32Å; R95-K99 WeakPolarHBondContact O-CB 3.35Å; R95-K99 PolarHBondContact O-N 3.35Å |
| 96 | D | 70.3 | Confident | 71.4 | Confident | 48 Ų | 48 | 105.2 Ų | 105.2 | 26% | 0.257 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -76.8 | -33.4 | 178.7 | -99.8 | -2.9 | 0 | 0 | 0 | 111.8 | F92 E93 R100 | F92-D96 HydrophobicContact CD1-CB 4.24Å; F92-D96 WeakPolarHBondContact CE1-OD1 3.45Å; F92-D96 WeakPolarHBondContact O-CB 3.39Å; F92-D96 PolarHBondContact O-N 2.94Å; E93-D96 PolarHBondContact O-N 3.02Å; D96-R100 WeakPolarHBondContact O-CA 3.5Å; D96-R100 WeakPolarHBondContact O-CB 3.29Å; D96-R100 WeakPolarHBondContact O-CD 3.28Å; D96-R100 WeakPolarHBondContact O-CG 3.44Å; D96-R100 PolarHBondContact O-N 2.81Å |
| 97 | K | 75.9 | Confident | 70.5 | Confident | 108 Ų | 108 | 105.2 Ų | 105.2 | 47% | 0.47 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.7 | -49.7 | 168.4 | -79.5 | 177.9 | -177.4 | 164.9 | 0 | 110.3 | E93 K99 R100 E101 | E93-K97 HydrophobicContact CG-CD 4.31Å; E93-K97 HydrophobicContact CG-CG 4.46Å; E93-K97 VanDerWaalsContact O-CB 3.27Å; E93-K97 WeakPolarHBondContact O-CB 3.43Å; E93-K97 VanDerWaalsContact O-CG 3.31Å; E93-K97 WeakPolarHBondContact O-CG 3.48Å; E93-K97 PolarHBondContact O-N 2.84Å; E93-K97 WeakPolarHBondContact OE1-CE 3.45Å; E93-K97 IonicContact OE1-NZ 3.25Å; E93-K97 PolarHBondContact OE1-NZ 3.22Å; K97-K99 VanDerWaalsContact C-N 3.32Å; K97-K99 PolarHBondContact O-N 3.05Å; K97-R100 CarbonylContact O-C 3.58Å; K97-R100 PolarHBondContact O-N 3.46Å; K97-R100 VanDerWaalsContact O-N 3.15Å; K97-E101 WeakPolarHBondContact O-CB 3.44Å; K97-E101 VanDerWaalsContact O-CG 3.32Å; K97-E101 WeakPolarHBondContact O-CG 3.25Å; K97-E101 PolarHBondContact O-N 3.39Å |
| 98 | N | 72.3 | Confident | 69.8 | Low | 77 Ų | 77 | 105.3 Ų | 105.3 | 41% | 0.412 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.8 | -35.5 | 177.1 | -162.6 | -11 | 0 | 0 | 0 | 111.5 | E94 K102 | E94-N98 WeakPolarHBondContact O-CB 3.42Å; E94-N98 PolarHBondContact O-N 2.6Å; N98-K102 VanDerWaalsContact O-CB 3.26Å; N98-K102 WeakPolarHBondContact O-CB 3.49Å; N98-K102 WeakPolarHBondContact O-CD 3.28Å; N98-K102 WeakPolarHBondContact O-CG 3.42Å; N98-K102 PolarHBondContact O-N 3.39Å; N98-K102 WeakPolarHBondContact OD1-CE 3.29Å |
| 99 | K | 77.3 | Confident | 69.3 | Low | 125 Ų | 125 | 106 Ų | 106 | 54% | 0.543 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -70.3 | -39.3 | 173 | -168.5 | 177.9 | -176.5 | -177.3 | 0 | 111.8 | R95 K97 K102 V103 | R95-K99 WeakPolarHBondContact O-CB 3.35Å; R95-K99 PolarHBondContact O-N 3.35Å; K97-K99 VanDerWaalsContact C-N 3.32Å; K97-K99 PolarHBondContact O-N 3.05Å; K99-K102 PolarHBondContact O-N 3.11Å; K99-V103 WeakPolarHBondContact O-CB 3.35Å; K99-V103 WeakPolarHBondContact O-CG2 3.4Å; K99-V103 PolarHBondContact O-N 3.48Å |
| 100 | R | 77.6 | Confident | 68.3 | Low | 174 Ų | 174 | 106.5 Ų | 106.5 | 66% | 0.657 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.9 | -51.9 | 173.3 | -77.2 | 168.8 | -167.7 | -148.1 | 6 | 109.7 | D96 K97 K102 V103 T104 | D96-R100 WeakPolarHBondContact O-CA 3.5Å; D96-R100 WeakPolarHBondContact O-CB 3.29Å; D96-R100 WeakPolarHBondContact O-CD 3.28Å; D96-R100 WeakPolarHBondContact O-CG 3.44Å; D96-R100 PolarHBondContact O-N 2.81Å; K97-R100 CarbonylContact O-C 3.58Å; K97-R100 PolarHBondContact O-N 3.46Å; K97-R100 VanDerWaalsContact O-N 3.15Å; R100-K102 VanDerWaalsContact C-N 3.32Å; R100-K102 PolarHBondContact O-N 2.93Å; R100-V103 CarbonylContact O-C 3.55Å; R100-V103 WeakPolarHBondContact O-CA 3.35Å; R100-V103 WeakPolarHBondContact O-CB 3.43Å; R100-V103 PolarHBondContact O-N 3.01Å; R100-T104 PolarHBondContact O-N 3.03Å; R100-T104 PolarHBondContact O-OG1 2.9Å |
| 101 | E | 79.9 | Confident | 68.2 | Low | 124 Ų | 124 | 105.4 Ų | 105.4 | 58% | 0.579 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -55 | -43.3 | 174.4 | -75.1 | 169.8 | -171.4 | 0 | 0 | 112.3 | K97 T104 A105 | K97-E101 WeakPolarHBondContact O-CB 3.44Å; K97-E101 VanDerWaalsContact O-CG 3.32Å; K97-E101 WeakPolarHBondContact O-CG 3.25Å; K97-E101 PolarHBondContact O-N 3.39Å; E101-T104 PolarHBondContact O-N 3.35Å; E101-A105 WeakPolarHBondContact O-CB 3.36Å; E101-A105 PolarHBondContact O-N 2.87Å |
| 102 | K | 75.4 | Confident | 67.8 | Low | 124 Ų | 124 | 104.7 Ų | 104.7 | 54% | 0.539 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.3 | -41.8 | 172.1 | -76.1 | 168.9 | -177.3 | 176.1 | 0 | 112.1 | N98 K99 R100 A105 V106 | N98-K102 VanDerWaalsContact O-CB 3.26Å; N98-K102 WeakPolarHBondContact O-CB 3.49Å; N98-K102 WeakPolarHBondContact O-CD 3.28Å; N98-K102 WeakPolarHBondContact O-CG 3.42Å; N98-K102 PolarHBondContact O-N 3.39Å; N98-K102 WeakPolarHBondContact OD1-CE 3.29Å; K99-K102 PolarHBondContact O-N 3.11Å; R100-K102 VanDerWaalsContact C-N 3.32Å; R100-K102 PolarHBondContact O-N 2.93Å; K102-A105 PolarHBondContact O-N 3.48Å; K102-V106 WeakPolarHBondContact O-CB 3.5Å; K102-V106 WeakPolarHBondContact O-CG2 3.31Å; K102-V106 PolarHBondContact O-N 2.92Å |
| 103 | V | 75.1 | Confident | 67.3 | Low | 76 Ų | 76 | 106.9 Ų | 106.9 | 46% | 0.461 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.1 | -41.8 | 176.2 | 168.6 | 0 | 0 | 0 | 0 | 111 | K99 R100 V106 I107 | K99-V103 WeakPolarHBondContact O-CB 3.35Å; K99-V103 WeakPolarHBondContact O-CG2 3.4Å; K99-V103 PolarHBondContact O-N 3.48Å; R100-V103 CarbonylContact O-C 3.55Å; R100-V103 WeakPolarHBondContact O-CA 3.35Å; R100-V103 WeakPolarHBondContact O-CB 3.43Å; R100-V103 PolarHBondContact O-N 3.01Å; V103-V106 PolarHBondContact O-N 2.92Å; V103-I107 HydrophobicContact CG1-CD1 3.66Å; V103-I107 HydrophobicContact CG1-CG1 4.39Å; V103-I107 WeakPolarHBondContact O-CB 3.47Å; V103-I107 WeakPolarHBondContact O-CD1 3.44Å; V103-I107 WeakPolarHBondContact O-CG1 3.24Å; V103-I107 PolarHBondContact O-N 3.31Å |
| 104 | T | 73.6 | Confident | 66.6 | Low | 71 Ų | 71 | 109.4 Ų | 109.4 | 44% | 0.436 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.4 | -39.1 | 175.3 | -21.3 | 0 | 0 | 0 | 0 | 111.1 | R100 E101 I107 N108 | R100-T104 PolarHBondContact O-N 3.03Å; R100-T104 PolarHBondContact O-OG1 2.9Å; E101-T104 PolarHBondContact O-N 3.35Å; T104-I107 PolarHBondContact O-N 3.11Å; T104-N108 VanDerWaalsContact O-CB 3.29Å; T104-N108 WeakPolarHBondContact O-CB 3.3Å; T104-N108 PolarHBondContact O-N 2.9Å; T104-N108 PolarHBondContact O-ND2 3.32Å; T104-N108 PolarHBondContact O-OD1 3.39Å |
| 105 | A | 73.6 | Confident | 65.7 | Low | 49 Ų | 49 | 110.8 Ų | 110.8 | 41% | 0.405 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66.2 | -36.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | E101 K102 R109 | E101-A105 WeakPolarHBondContact O-CB 3.36Å; E101-A105 PolarHBondContact O-N 2.87Å; K102-A105 PolarHBondContact O-N 3.48Å; A105-R109 WeakPolarHBondContact O-CB 3.44Å; A105-R109 VanDerWaalsContact O-CG 3.3Å; A105-R109 WeakPolarHBondContact O-CG 3.34Å; A105-R109 PolarHBondContact O-N 3.31Å |
| 106 | V | 72.3 | Confident | 64.4 | Low | 87 Ų | 87 | 111.6 Ų | 111.6 | 53% | 0.527 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -70.5 | -42.5 | 173.7 | 169.8 | 0 | 0 | 0 | 0 | 111.1 | K102 V103 N108 R109 V110 | K102-V106 WeakPolarHBondContact O-CB 3.5Å; K102-V106 WeakPolarHBondContact O-CG2 3.31Å; K102-V106 PolarHBondContact O-N 2.92Å; V103-V106 PolarHBondContact O-N 2.92Å; V106-N108 VanDerWaalsContact C-N 3.34Å; V106-N108 PolarHBondContact O-N 3.47Å; V106-R109 CarbonylContact O-C 3.59Å; V106-R109 PolarHBondContact O-N 3.4Å; V106-R109 VanDerWaalsContact O-N 3.16Å; V106-V110 HydrophobicContact CG1-CG2 4.41Å; V106-V110 VanDerWaalsContact O-CG2 3.28Å; V106-V110 WeakPolarHBondContact O-CG2 3.46Å; V106-V110 PolarHBondContact O-N 3.41Å |
| 107 | I | 65.5 | Low | 62.9 | Low | 100 Ų | 100 | 115.2 Ų | 115.2 | 51% | 0.513 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -63 | -41.4 | 175.8 | -69.9 | 164.9 | 0 | 0 | 0 | 110.9 | V103 T104 R109 V110 S111 | V103-I107 HydrophobicContact CG1-CD1 3.66Å; V103-I107 HydrophobicContact CG1-CG1 4.39Å; V103-I107 WeakPolarHBondContact O-CB 3.47Å; V103-I107 WeakPolarHBondContact O-CD1 3.44Å; V103-I107 WeakPolarHBondContact O-CG1 3.24Å; V103-I107 PolarHBondContact O-N 3.31Å; T104-I107 PolarHBondContact O-N 3.11Å; I107-R109 VanDerWaalsContact C-N 3.28Å; I107-R109 PolarHBondContact O-N 3.23Å; I107-V110 PolarHBondContact O-N 3.17Å; I107-V110 VanDerWaalsContact O-N 3.1Å; I107-S111 PolarHBondContact O-N 2.88Å; I107-S111 PolarHBondContact O-OG 3.1Å |
| 108 | N | 64.9 | Low | 61.2 | Low | 107 Ų | 107 | 116.3 Ų | 116.3 | 57% | 0.572 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -69.4 | -23.9 | 176 | -69.3 | -8.6 | 0 | 0 | 0 | 113 | T104 V106 S111 | T104-N108 VanDerWaalsContact O-CB 3.29Å; T104-N108 WeakPolarHBondContact O-CB 3.3Å; T104-N108 PolarHBondContact O-N 2.9Å; T104-N108 PolarHBondContact O-ND2 3.32Å; T104-N108 PolarHBondContact O-OD1 3.39Å; V106-N108 VanDerWaalsContact C-N 3.34Å; V106-N108 PolarHBondContact O-N 3.47Å; N108-S111 WeakPolarHBondContact CA-OG 3.26Å; N108-S111 PolarHBondContact O-OG 2.74Å |
| 109 | R | 60.1 | Low | 59.5 | Low | 200 Ų | 200 | 118 Ų | 118 | 76% | 0.755 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -80.5 | -24.7 | 169 | -76.2 | -178.1 | -176.4 | -162.6 | 1.6 | 113 | A105 V106 I107 S112 | A105-R109 WeakPolarHBondContact O-CB 3.44Å; A105-R109 VanDerWaalsContact O-CG 3.3Å; A105-R109 WeakPolarHBondContact O-CG 3.34Å; A105-R109 PolarHBondContact O-N 3.31Å; V106-R109 CarbonylContact O-C 3.59Å; V106-R109 PolarHBondContact O-N 3.4Å; V106-R109 VanDerWaalsContact O-N 3.16Å; I107-R109 VanDerWaalsContact C-N 3.28Å; I107-R109 PolarHBondContact O-N 3.23Å; R109-S112 PolarHBondContact O-OG 3.34Å |
| 110 | V | 51.5 | Low | 57.6 | Low | 96 Ų | 96 | 118 Ų | 118 | 58% | 0.582 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -84.7 | -21.3 | 177.1 | 169.8 | 0 | 0 | 0 | 0 | 111.5 | V106 I107 S112 D113 | V106-V110 HydrophobicContact CG1-CG2 4.41Å; V106-V110 VanDerWaalsContact O-CG2 3.28Å; V106-V110 WeakPolarHBondContact O-CG2 3.46Å; V106-V110 PolarHBondContact O-N 3.41Å; I107-V110 PolarHBondContact O-N 3.17Å; I107-V110 VanDerWaalsContact O-N 3.1Å; V110-S112 PolarHBondContact O-N 2.94Å; V110-D113 PolarHBondContact O-N 3.35Å |
| 111 | S | 52.5 | Low | 55.8 | Low | 94 Ų | 94 | 118.1 Ų | 118.1 | 66% | 0.657 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | -0.9 | 174.7 | 52.6 | 0 | 0 | 0 | 0 | 115.1 | I107 N108 | I107-S111 PolarHBondContact O-N 2.88Å; I107-S111 PolarHBondContact O-OG 3.1Å; N108-S111 WeakPolarHBondContact CA-OG 3.26Å; N108-S111 PolarHBondContact O-OG 2.74Å |
| 112 | S | 51.9 | Low | 53.9 | Low | 87 Ų | 87 | 120.9 Ų | 120.9 | 61% | 0.608 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | -6.8 | 171.4 | 52.7 | 0 | 0 | 0 | 0 | 114.4 | R109 V110 | R109-S112 PolarHBondContact O-OG 3.34Å; V110-S112 PolarHBondContact O-N 2.94Å |
| 113 | D | 46.8 | Very low | 52.1 | Low | 130 Ų | 130 | 120.6 Ų | 120.6 | 70% | 0.695 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -118.8 | 108.6 | 177.6 | -75.3 | -36.6 | 0 | 0 | 0 | 111.1 | V110 K115 | V110-D113 PolarHBondContact O-N 3.35Å; D113-K115 PolarHBondContact O-N 2.98Å; D113-K115 VanDerWaalsContact O-N 3.09Å |
| 114 | P | 48.8 | Very low | 50 | Low | 120 Ų | 120 | 126.2 Ų | 126.2 | 78% | 0.779 | 69% | 0.694 | S | S | * | * | trans | -91.7 | 59.8 | -168.2 | 37.2 | -35.7 | 0 | 0 | 0 | 111.8 | ||||
| 115 | K | 48.3 | Very low | 48.3 | Very low | 185 Ų | 185 | 130.7 Ų | 130.7 | 80% | 0.804 | 71% | 0.709 | S | S | * | * | trans | -148.3 | 108.9 | 169.7 | -66.2 | -171.2 | -178.3 | 173.6 | 0 | 112.5 | D113 | D113-K115 PolarHBondContact O-N 2.98Å; D113-K115 VanDerWaalsContact O-N 3.09Å | ||
| 116 | N | 39.2 | Very low | 46.4 | Very low | 161 Ų | 161 | 139.7 Ų | 139.7 | 86% | 0.861 | 73% | 0.733 | S | S | * | * | trans | 134.4 | 88 | 149.4 | -66.1 | -19.1 | 0 | 0 | 0 | 112.8 | ||||
| 117 | S | 38.7 | Very low | 44.6 | Very low | 124 Ų | 124 | 142.8 Ų | 142.8 | 87% | 0.867 | 75% | 0.746 | S | S | * | * | trans | -87.8 | 100.2 | 167.4 | 57.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 118 | V | 39.5 | Very low | 43.1 | Very low | 131 Ų | 131 | 146.7 Ų | 146.7 | 79% | 0.794 | 77% | 0.765 | S | S | * | * | trans | -107.5 | 110.4 | 163.6 | 178.5 | 0 | 0 | 0 | 0 | 108.4 | V120 | V118-V120 PolarHBondContact O-N 3.23Š| ||
| 119 | C | 36.8 | Very low | 41.6 | Very low | 113 Ų | 113 | 151.8 Ų | 151.8 | 76% | 0.764 | 78% | 0.782 | S | S | * | * | trans | -69.4 | 119.6 | 175.8 | -178.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 120 | V | 36.7 | Very low | 40.2 | Very low | 126 Ų | 126 | 145.9 Ų | 145.9 | 76% | 0.764 | 78% | 0.783 | S | S | * | * | trans | -108.3 | 109.5 | 169.2 | 179.9 | 0 | 0 | 0 | 0 | 108.4 | V118 K122 | V118-V120 PolarHBondContact O-N 3.23Å; V120-K122 PolarHBondContact O-N 3.2Å | ||
| 121 | Q | 41.6 | Very low | 39.9 | Very low | 176 Ų | 176 | 146.6 Ų | 146.6 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | trans | -65.6 | 122.1 | 173.5 | -66.2 | -175.1 | -5.3 | 0 | 0 | 110.1 | ||||
| 122 | K | 38.8 | Very low | 39.5 | Very low | 182 Ų | 182 | 153.4 Ų | 153.4 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | trans | -97 | 113.7 | 168.5 | -104.7 | 173.4 | 174.9 | 170.9 | 0 | 109.1 | V120 | V120-K122 PolarHBondContact O-N 3.2Š| ||
| 123 | T | 37.7 | Very low | 39.2 | Very low | 117 Ų | 117 | 156.9 Ų | 156.9 | 72% | 0.718 | 81% | 0.81 | S | S | * | * | trans | -73.5 | 122.1 | 170.6 | 45 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 124 | F | 31.7 | Very low | 39.2 | Very low | 195 Ų | 195 | 159.4 Ų | 159.4 | 86% | 0.855 | 82% | 0.818 | S | S | * | * | trans | -89.9 | 115.8 | 171.6 | -79.5 | -89.5 | 0 | 0 | 0 | 109.4 | R126 | F124-R126 PolarHBondContact O-N 2.91Š| ||
| 125 | H | 37 | Very low | 39.1 | Very low | 165 Ų | 165 | 162 Ų | 162 | 76% | 0.764 | 82% | 0.817 | S | S | * | * | trans | -74.6 | 117.4 | 169.8 | -75.7 | -74.8 | 0 | 0 | 0 | 110.1 | N127 | H125-N127 PolarHBondContact O-N 2.91Š| ||
| 126 | R | 34.4 | Very low | 39.3 | Very low | 237 Ų | 237 | 158.4 Ų | 158.4 | 89% | 0.894 | 81% | 0.806 | S | S | * | * | trans | -75.3 | 107 | 175.3 | -168.3 | -175.9 | -89.7 | -173.9 | -6.4 | 108.5 | F124 M128 | F124-R126 PolarHBondContact O-N 2.91Å; R126-M128 PolarHBondContact O-N 3.36Å | ||
| 127 | N | 33.4 | Very low | 40 | Very low | 152 Ų | 152 | 157.9 Ų | 157.9 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | trans | -75.1 | 123.8 | 177.7 | -75.9 | -26.6 | 0 | 0 | 0 | 111.3 | H125 | H125-N127 PolarHBondContact O-N 2.91Š| ||
| 128 | M | 33.9 | Very low | 40.6 | Very low | 183 Ų | 183 | 158.2 Ų | 158.2 | 90% | 0.901 | 79% | 0.787 | S | S | * | * | trans | -66.1 | 125 | 171.6 | -79.8 | -78.6 | 158.9 | 0 | 0 | 110.7 | R126 G130 | R126-M128 PolarHBondContact O-N 3.36Å; M128-G130 PolarHBondContact O-N 3.49Å | ||
| 129 | K | 34.3 | Very low | 41.3 | Very low | 214 Ų | 214 | 158.6 Ų | 158.6 | 93% | 0.93 | 78% | 0.78 | S | S | * | * | trans | -86 | 93 | 179 | -150 | 174 | -171.4 | 179.5 | 0 | 108.7 | ||||
| 130 | G | 30.6 | Very low | 42.1 | Very low | 75 Ų | 75 | 157.8 Ų | 157.8 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | trans | -79.9 | 115.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | M128 | M128-G130 PolarHBondContact O-N 3.49Š| ||
| 131 | S | 45.1 | Very low | 42.8 | Very low | 112 Ų | 112 | 156 Ų | 156 | 78% | 0.783 | 76% | 0.764 | S | S | * | * | trans | -54.7 | 129.6 | 173.9 | 55.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 132 | R | 44.2 | Very low | 43.5 | Very low | 236 Ų | 236 | 155.9 Ų | 155.9 | 89% | 0.891 | 76% | 0.756 | S | S | * | * | trans | -158.8 | 144.1 | 149.5 | -102.2 | 162.2 | -154.2 | -140.5 | 6 | 108.4 | ||||
| 133 | Q | 45.4 | Very low | 44.4 | Very low | 161 Ų | 161 | 152.2 Ų | 152.2 | 75% | 0.752 | 75% | 0.745 | S | S | * | * | trans | 84.7 | 68 | 179 | -63.7 | 155.5 | -40.9 | 0 | 0 | 116.3 | ||||
| 134 | Q | 47.3 | Very low | 45.2 | Very low | 182 Ų | 182 | 150.5 Ų | 150.5 | 85% | 0.85 | 73% | 0.734 | S | S | * | * | trans | -106.8 | 14.3 | 157.5 | -86.9 | -167.1 | -21.7 | 0 | 0 | 112.9 | ||||
| 135 | K | 46.7 | Very low | 46.1 | Very low | 174 Ų | 174 | 148.5 Ų | 148.5 | 76% | 0.757 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -92.7 | -23.5 | -176.9 | -76.8 | -172.4 | 172.4 | -173 | 0 | 114.6 | ||
| 136 | D | 52.2 | Low | 47 | Very low | 110 Ų | 110 | 146.7 Ų | 146.7 | 59% | 0.588 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -91.2 | -9.6 | -171.8 | -51 | -23.3 | 0 | 0 | 0 | 113.6 | ||
| 137 | Q | 53.5 | Low | 48 | Very low | 151 Ų | 151 | 142.1 Ų | 142.1 | 71% | 0.706 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -92.5 | -19.4 | -179.6 | -66.3 | -174.9 | 19 | 0 | 0 | 113.6 | ||
| 138 | Q | 51.9 | Low | 49.1 | Very low | 131 Ų | 131 | 140 Ų | 140 | 61% | 0.612 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -82.2 | -23.3 | -177.3 | -166.8 | 163.7 | 24.1 | 0 | 0 | 112.9 | ||
| 139 | E | 54.7 | Low | 50.1 | Low | 138 Ų | 138 | 135.1 Ų | 135.1 | 65% | 0.645 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -78.8 | -32.4 | 179 | -63.7 | -176.4 | 176.2 | 0 | 0 | 112 | R142 | E139-R142 PolarHBondContact O-N 2.98Å |
| 140 | V | 52.5 | Low | 50.9 | Low | 96 Ų | 96 | 129.7 Ų | 129.7 | 58% | 0.582 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -71.1 | -37.5 | -179.6 | -177 | 0 | 0 | 0 | 0 | 111.8 | R142 N143 | V140-R142 VanDerWaalsContact C-N 3.34Å; V140-R142 PolarHBondContact O-N 3.22Å; V140-N143 PolarHBondContact O-N 2.91Å |
| 141 | C | 51.2 | Low | 51.9 | Low | 90 Ų | 90 | 131.8 Ų | 131.8 | 61% | 0.608 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -71.6 | -24 | 178.8 | -64.8 | 0 | 0 | 0 | 0 | 113.8 | ||
| 142 | R | 56.9 | Low | 52.2 | Low | 173 Ų | 173 | 134.5 Ų | 134.5 | 65% | 0.653 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -73.5 | -31 | 176.7 | -75.9 | -176.3 | 177.3 | -168.4 | -0.6 | 112.6 | E139 V140 | E139-R142 PolarHBondContact O-N 2.98Å; V140-R142 VanDerWaalsContact C-N 3.34Å; V140-R142 PolarHBondContact O-N 3.22Å |
| 143 | N | 57.6 | Low | 52.1 | Low | 105 Ų | 105 | 132.3 Ų | 132.3 | 56% | 0.561 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -78.3 | -30.1 | -176.3 | -63 | -12.9 | 0 | 0 | 0 | 112.5 | V140 | V140-N143 PolarHBondContact O-N 2.91Å |
| 144 | V | 55.1 | Low | 52 | Low | 81 Ų | 81 | 132.4 Ų | 132.4 | 49% | 0.491 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -73.2 | -34.9 | 176.6 | 179.7 | 0 | 0 | 0 | 0 | 111.6 | L146 Q147 I148 | V144-L146 VanDerWaalsContact C-N 3.31Å; V144-L146 PolarHBondContact O-N 2.8Å; V144-Q147 PolarHBondContact O-N 2.78Å; V144-I148 HydrophobicContact CG1-CD1 4.21Å; V144-I148 WeakPolarHBondContact O-CG1 3.44Å; V144-I148 PolarHBondContact O-N 2.87Å |
| 145 | Q | 51.1 | Low | 51.7 | Low | 153 Ų | 153 | 129.7 Ų | 129.7 | 72% | 0.715 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -66.4 | -31.8 | 178.2 | -160.4 | 98.5 | 31.6 | 0 | 0 | 112.7 | ||
| 146 | L | 54.8 | Low | 51.4 | Low | 127 Ų | 127 | 125.8 Ų | 125.8 | 67% | 0.665 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -78.5 | -30.7 | -179.8 | -71.5 | 168.7 | 0 | 0 | 0 | 113.1 | V144 | V144-L146 VanDerWaalsContact C-N 3.31Å; V144-L146 PolarHBondContact O-N 2.8Å |
| 147 | Q | 56.5 | Low | 51 | Low | 141 Ų | 141 | 129.8 Ų | 129.8 | 66% | 0.659 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -71.3 | -34.2 | 176.1 | -79.4 | -175.3 | -15.5 | 0 | 0 | 112.9 | V144 A149 S150 T151 | V144-Q147 PolarHBondContact O-N 2.78Å; Q147-A149 VanDerWaalsContact C-N 3.32Å; Q147-S150 PolarHBondContact O-N 3.46Å; Q147-S150 PolarHBondContact O-OG 3.38Å; Q147-S150 VanDerWaalsContact O-OG 3.1Å; Q147-T151 PolarHBondContact O-OG1 3.21Å |
| 148 | I | 55.5 | Low | 50.2 | Low | 107 Ų | 107 | 127.6 Ų | 127.6 | 55% | 0.549 | 70% | 0.701 | S | S | . | * | H | α-helix | trans | -71.4 | -30.8 | 178.1 | -61.6 | 167.8 | 0 | 0 | 0 | 111.1 | V144 S150 | V144-I148 HydrophobicContact CG1-CD1 4.21Å; V144-I148 WeakPolarHBondContact O-CG1 3.44Å; V144-I148 PolarHBondContact O-N 2.87Å; I148-S150 VanDerWaalsContact C-N 3.3Å; I148-S150 PolarHBondContact O-N 3.01Å |
| 149 | A | 54.3 | Low | 49.8 | Very low | 81 Ų | 81 | 124.9 Ų | 124.9 | 67% | 0.669 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -70 | -22.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q147 | Q147-A149 VanDerWaalsContact C-N 3.32Å |
| 150 | S | 50.9 | Low | 49 | Very low | 99 Ų | 99 | 124.6 Ų | 124.6 | 69% | 0.692 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | -5.5 | -178.8 | 68.2 | 0 | 0 | 0 | 0 | 114.6 | Q147 I148 | Q147-S150 PolarHBondContact O-N 3.46Å; Q147-S150 PolarHBondContact O-OG 3.38Å; Q147-S150 VanDerWaalsContact O-OG 3.1Å; I148-S150 VanDerWaalsContact C-N 3.3Å; I148-S150 PolarHBondContact O-N 3.01Å |
| 151 | T | 52.5 | Low | 48.7 | Very low | 120 Ų | 120 | 125.4 Ų | 125.4 | 74% | 0.736 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -99.5 | -5.5 | -177.1 | -33.6 | 0 | 0 | 0 | 0 | 114.1 | Q147 | Q147-T151 PolarHBondContact O-OG1 3.21Š|
| 152 | Q | 52.2 | Low | 48.5 | Very low | 168 Ų | 168 | 130.2 Ų | 130.2 | 79% | 0.785 | 74% | 0.738 | S | S | * | * | trans | -103.8 | 72.9 | 175.2 | -71.7 | -165.6 | 27.1 | 0 | 0 | 112.3 | ||||
| 153 | Q | 40.7 | Very low | 48 | Very low | 190 Ų | 190 | 128 Ų | 128 | 89% | 0.888 | 74% | 0.744 | S | S | * | * | trans | -147.9 | 119 | 154.9 | -69.9 | -162.5 | -6.5 | 0 | 0 | 111.4 | ||||
| 154 | N | 43.1 | Very low | 47.9 | Very low | 163 Ų | 163 | 133.2 Ų | 133.2 | 87% | 0.872 | 76% | 0.756 | S | S | * | * | trans | -142.4 | 167.9 | 161.5 | -90.8 | -31.8 | 0 | 0 | 0 | 105.6 | ||||
| 155 | P | 42.9 | Very low | 47.6 | Very low | 126 Ų | 126 | 134.4 Ų | 134.4 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | cis | -119.8 | -167.8 | -40.5 | 35.1 | -16.6 | 0 | 0 | 0 | 110.8 | ||||
| 156 | A | 39.9 | Very low | 47.6 | Very low | 91 Ų | 91 | 130 Ų | 130 | 75% | 0.752 | 76% | 0.757 | S | S | * | * | trans | -80.8 | 155.7 | -173.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 157 | Q | 44.2 | Very low | 47.7 | Very low | 194 Ų | 194 | 128.7 Ų | 128.7 | 91% | 0.907 | 75% | 0.751 | S | S | * | * | trans | 66.5 | 119.3 | 155.7 | -64.3 | -165.2 | 8.3 | 0 | 0 | 122 | ||||
| 158 | A | 35.2 | Very low | 47.7 | Very low | 105 Ų | 105 | 128.7 Ų | 128.7 | 87% | 0.868 | 75% | 0.751 | S | S | * | * | -177.2 | 138.3 | 120.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 159 | G | 45.1 | Very low | 48 | Very low | 75 Ų | 75 | 128 Ų | 128 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | trans | -75.6 | 155.3 | -171 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 160 | C | 36.5 | Very low | 48.2 | Very low | 131 Ų | 131 | 132.2 Ų | 132.2 | 89% | 0.885 | 75% | 0.75 | S | S | * | * | trans | -166 | 160 | 155.9 | -101.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 161 | P | 45.8 | Very low | 48.7 | Very low | 113 Ų | 113 | 135.2 Ų | 135.2 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | trans | -89.8 | 154.8 | -144.3 | 34 | -35 | 0 | 0 | 0 | 115.5 | V163 | P161-V163 PolarHBondContact O-N 3.01Š| ||
| 162 | K | 47 | Very low | 49.1 | Very low | 192 Ų | 192 | 137.5 Ų | 137.5 | 84% | 0.835 | 75% | 0.75 | S | S | * | * | trans | -61.7 | 114.6 | 176.4 | -91.4 | 166 | 172.6 | 163.5 | 0 | 111.9 | ||||
| 163 | V | 47.4 | Very low | 49.6 | Very low | 126 Ų | 126 | 137.2 Ų | 137.2 | 76% | 0.764 | 75% | 0.746 | S | S | * | * | trans | -95.1 | 114.2 | 162.4 | -178.3 | 0 | 0 | 0 | 0 | 108.6 | P161 S165 | P161-V163 PolarHBondContact O-N 3.01Å; V163-S165 PolarHBondContact O-N 3.43Å | ||
| 164 | R | 54.5 | Low | 50.8 | Low | 215 Ų | 215 | 132 Ų | 132 | 81% | 0.811 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | 26.5 | -167.9 | -99.3 | -160.3 | 170 | 162.5 | -0.4 | 116.2 | ||
| 165 | S | 49.8 | Very low | 51.6 | Low | 106 Ų | 106 | 125.9 Ų | 125.9 | 74% | 0.741 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.6 | 6.1 | -172.1 | -55.7 | 0 | 0 | 0 | 0 | 115.6 | V163 | V163-S165 PolarHBondContact O-N 3.43Š|
| 166 | A | 51.3 | Low | 52.5 | Low | 61 Ų | 61 | 126.5 Ų | 126.5 | 50% | 0.504 | 69% | 0.69 | S | S | . | * | S | Bend | trans | -100.3 | -6.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 167 | D | 56.2 | Low | 53.7 | Low | 99 Ų | 99 | 127.6 Ų | 127.6 | 53% | 0.529 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -79.5 | -26.9 | -169.9 | -69.9 | -27.3 | 0 | 0 | 0 | 113.6 | K171 | D167-K171 PolarHBondContact O-N 3.1Å |
| 168 | H | 57.4 | Low | 54.6 | Low | 141 Ų | 141 | 125.3 Ų | 125.3 | 65% | 0.653 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -73.5 | -32.5 | -177 | -154.9 | -28.6 | 0 | 0 | 0 | 112.7 | ||
| 169 | T | 60.1 | Low | 56.5 | Low | 92 Ų | 92 | 127.5 Ų | 127.5 | 56% | 0.564 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -79.5 | -29.1 | -178.9 | -21.7 | 0 | 0 | 0 | 0 | 112.3 | K173 | T169-K173 PolarHBondContact O-N 3.34Å |
| 170 | R | 59.3 | Low | 57.8 | Low | 170 Ų | 170 | 131.5 Ų | 131.5 | 64% | 0.642 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -67.4 | -40.4 | 174.3 | -75.2 | -179.9 | 75.9 | 175.8 | 3.9 | 112.1 | K172 K173 L174 | R170-K172 PolarHBondContact O-N 2.88Å; R170-K173 PolarHBondContact O-N 2.83Å; R170-L174 WeakPolarHBondContact O-CG 3.48Å; R170-L174 PolarHBondContact O-N 3Å; R170-L174 VanDerWaalsContact O-N 3.13Å |
| 171 | K | 61.3 | Low | 59.6 | Low | 162 Ų | 162 | 130 Ų | 130 | 70% | 0.704 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -62.2 | -41.7 | 177.9 | -71.4 | -173.4 | 177.1 | -173.6 | 0 | 112.5 | D167 K173 L174 G175 | D167-K171 PolarHBondContact O-N 3.1Å; K171-K173 VanDerWaalsContact C-N 3.35Å; K171-K173 PolarHBondContact O-N 3.03Å; K171-L174 PolarHBondContact O-N 3.3Å; K171-G175 PolarHBondContact O-N 3.39Å |
| 172 | K | 62.2 | Low | 61.2 | Low | 167 Ų | 167 | 131.8 Ų | 131.8 | 73% | 0.726 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -66.2 | -34.2 | 175.8 | -72.9 | -173.1 | 177.4 | -178.1 | 0 | 113.1 | R170 L174 | R170-K172 PolarHBondContact O-N 2.88Å; K172-L174 VanDerWaalsContact C-N 3.28Å; K172-L174 PolarHBondContact O-N 3.26Å |
| 173 | K | 62.1 | Low | 62.7 | Low | 162 Ų | 162 | 130.3 Ų | 130.3 | 70% | 0.704 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -77.4 | -9.5 | 175.6 | -72.7 | -159.7 | 177.6 | -170.7 | 0 | 113.9 | T169 R170 K171 F176 | T169-K173 PolarHBondContact O-N 3.34Å; R170-K173 PolarHBondContact O-N 2.83Å; K171-K173 VanDerWaalsContact C-N 3.35Å; K171-K173 PolarHBondContact O-N 3.03Å; K173-F176 WeakPolarHBondContact O-CD1 3.46Å; K173-F176 WeakPolarHBondContact O-CE1 3.4Å |
| 174 | L | 65.1 | Low | 64.2 | Low | 81 Ų | 81 | 132.1 Ų | 132.1 | 42% | 0.424 | 66% | 0.656 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -109.7 | 2.9 | 178.4 | -66.1 | 169 | 0 | 0 | 0 | 112.8 | R170 K171 K172 F176 L177 | R170-L174 WeakPolarHBondContact O-CG 3.48Å; R170-L174 PolarHBondContact O-N 3Å; R170-L174 VanDerWaalsContact O-N 3.13Å; K171-L174 PolarHBondContact O-N 3.3Å; K172-L174 VanDerWaalsContact C-N 3.28Å; K172-L174 PolarHBondContact O-N 3.26Å; L174-F176 PolarHBondContact O-N 3.15Å; L174-F176 VanDerWaalsContact O-N 3.11Å; L174-L177 HydrophobicContact CB-CD1 4.28Å; L174-L177 HydrophobicContact CD2-CD1 3.67Å; L174-L177 VanDerWaalsContact O-CB 3.32Å; L174-L177 WeakPolarHBondContact O-CB 3.49Å; L174-L177 PolarHBondContact O-N 2.92Å |
| 175 | G | 61.1 | Low | 65.4 | Low | 35 Ų | 35 | 125.4 Ų | 125.4 | 36% | 0.361 | 64% | 0.641 | S | S | . | * | G | 310 helix | trans | -62 | -17.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | K171 L177 D178 | K171-G175 PolarHBondContact O-N 3.39Å; G175-L177 PolarHBondContact O-N 3.5Å; G175-D178 PolarHBondContact O-N 2.74Å |
| 176 | F | 62.1 | Low | 66.8 | Low | 138 Ų | 138 | 130 Ų | 130 | 61% | 0.605 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -72.9 | -11.3 | 171.6 | 69.2 | -103.2 | 0 | 0 | 0 | 113.6 | K173 L174 | K173-F176 WeakPolarHBondContact O-CD1 3.46Å; K173-F176 WeakPolarHBondContact O-CE1 3.4Å; L174-F176 PolarHBondContact O-N 3.15Å; L174-F176 VanDerWaalsContact O-N 3.11Å |
| 177 | L | 63.2 | Low | 67.9 | Low | 115 Ų | 115 | 133.9 Ų | 133.9 | 60% | 0.602 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -86.4 | -18.2 | 175.4 | -63.9 | 176.7 | 0 | 0 | 0 | 112.5 | L174 G175 | L174-L177 HydrophobicContact CB-CD1 4.28Å; L174-L177 HydrophobicContact CD2-CD1 3.67Å; L174-L177 VanDerWaalsContact O-CB 3.32Å; L174-L177 WeakPolarHBondContact O-CB 3.49Å; L174-L177 PolarHBondContact O-N 2.92Å; G175-L177 PolarHBondContact O-N 3.5Å |
| 178 | D | 64.6 | Low | 68.8 | Low | 146 Ų | 146 | 135.2 Ų | 135.2 | 78% | 0.781 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -91.8 | -8.8 | 178.5 | -67.6 | -22.1 | 0 | 0 | 0 | 112.3 | G175 E180 | G175-D178 PolarHBondContact O-N 2.74Å; D178-E180 PolarHBondContact O-N 3Å |
| 179 | E | 73.6 | Confident | 69.4 | Low | 151 Ų | 151 | 133.7 Ų | 133.7 | 71% | 0.706 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -80.9 | 111.7 | 170.7 | -80.2 | -178.1 | 166.4 | 0 | 0 | 109.9 | P181 | E179-P181 WeakPolarHBondContact O-CD 3.46Š|
| 180 | E | 72.4 | Confident | 70.4 | Confident | 158 Ų | 158 | 135.4 Ų | 135.4 | 74% | 0.738 | 67% | 0.672 | S | S | * | * | trans | -58.6 | 121.9 | 171.4 | -69.8 | -168.6 | 178.8 | 0 | 0 | 109.4 | D178 T182 | D178-E180 PolarHBondContact O-N 3Å; E180-T182 PolarHBondContact O-N 3.3Å | ||
| 181 | P | 74.3 | Confident | 71.4 | Confident | 101 Ų | 101 | 132.8 Ų | 132.8 | 66% | 0.656 | 68% | 0.675 | S | S | * | * | trans | -61.6 | 127.6 | -179.5 | 23.8 | -32.4 | 0 | 0 | 0 | 109.9 | E179 F183 | E179-P181 WeakPolarHBondContact O-CD 3.46Å; P181-F183 PolarHBondContact O-N 3.06Å | ||
| 182 | T | 80.5 | Confident | 72.5 | Confident | 149 Ų | 149 | 128.1 Ų | 128.1 | 91% | 0.914 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -57.4 | -22.9 | 179.8 | -41.3 | 0 | 0 | 0 | 0 | 112.7 | E180 K184 | E180-T182 PolarHBondContact O-N 3.3Å; T182-K184 PolarHBondContact O-N 3.24Å |
| 183 | F | 79.3 | Confident | 73.7 | Confident | 162 Ų | 162 | 124.7 Ų | 124.7 | 71% | 0.711 | 65% | 0.651 | S | S | * | * | trans | -84.6 | 100.5 | 179.4 | -175 | -106.8 | 0 | 0 | 0 | 111.5 | P181 P185 | P181-F183 PolarHBondContact O-N 3.06Å; F183-P185 HydrophobicContact CD1-CB 4.47Å; F183-P185 HydrophobicContact CE1-CB 3.73Å; F183-P185 HydrophobicContact CE1-CG 4.16Å; F183-P185 HydrophobicContact CZ-CB 4.1Å; F183-P185 VanDerWaalsContact O-CD 3.24Å; F183-P185 WeakPolarHBondContact O-CD 3.16Å | ||
| 184 | K | 78.2 | Confident | 75.1 | Confident | 163 Ų | 163 | 123.5 Ų | 123.5 | 71% | 0.709 | 65% | 0.646 | S | S | * | * | trans | -94.6 | 98.5 | 166.9 | -63.4 | -173.6 | -179.7 | -176 | 0 | 108.5 | T182 K186 | T182-K184 PolarHBondContact O-N 3.24Å; K184-K186 PolarHBondContact O-N 3.4Å | ||
| 185 | P | 79.1 | Confident | 76.3 | Confident | 74 Ų | 74 | 127.3 Ų | 127.3 | 48% | 0.481 | 66% | 0.659 | S | S | . | * | trans | -59.9 | 139.8 | 175.6 | 24.5 | -31.7 | 0 | 0 | 0 | 109 | F183 I187 | F183-P185 HydrophobicContact CD1-CB 4.47Å; F183-P185 HydrophobicContact CE1-CB 3.73Å; F183-P185 HydrophobicContact CE1-CG 4.16Å; F183-P185 HydrophobicContact CZ-CB 4.1Å; F183-P185 VanDerWaalsContact O-CD 3.24Å; F183-P185 WeakPolarHBondContact O-CD 3.16Å; P185-I187 HydrophobicContact CG-CG1 4.37Å; P185-I187 PolarHBondContact O-N 3.21Å | ||
| 186 | K | 79.3 | Confident | 77.8 | Confident | 204 Ų | 204 | 128.3 Ų | 128.3 | 89% | 0.887 | 66% | 0.66 | S | S | * | * | trans | -68.1 | 89.2 | 167.5 | -70.1 | -179.8 | -179.8 | 178.3 | 0 | 107.5 | K184 I188 | K184-K186 PolarHBondContact O-N 3.4Å; K186-I188 PolarHBondContact O-N 3.41Å; K186-I188 VanDerWaalsContact O-N 3.09Å | ||
| 187 | I | 74.8 | Confident | 79.3 | Confident | 142 Ų | 142 | 126.9 Ų | 126.9 | 73% | 0.728 | 66% | 0.659 | S | S | * | * | trans | -66.8 | 107.2 | 170.7 | -58.1 | 170.8 | 0 | 0 | 0 | 104.8 | P185 P189 | P185-I187 HydrophobicContact CG-CG1 4.37Å; P185-I187 PolarHBondContact O-N 3.21Å; I187-P189 WeakPolarHBondContact O-CD 3.38Å | ||
| 188 | I | 75.9 | Confident | 80.7 | Confident | 127 Ų | 127 | 126.5 Ų | 126.5 | 65% | 0.651 | 65% | 0.654 | S | S | * | * | trans | -71.8 | 107.4 | 170.9 | -55.7 | 175.1 | 0 | 0 | 0 | 104.9 | K186 D190 | K186-I188 PolarHBondContact O-N 3.41Å; K186-I188 VanDerWaalsContact O-N 3.09Å; I188-D190 VanDerWaalsContact CG2-O 3.27Å; I188-D190 WeakPolarHBondContact CG2-O 3.15Å; I188-D190 PolarHBondContact O-N 3.35Å | ||
| 189 | P | 69.8 | Low | 82.1 | Confident | 109 Ų | 109 | 125.9 Ų | 125.9 | 71% | 0.708 | 64% | 0.644 | S | S | * | * | trans | -71.7 | -27.9 | -174.1 | 30.4 | -33.3 | 0 | 0 | 0 | 111.1 | I187 | I187-P189 WeakPolarHBondContact O-CD 3.38Š| ||
| 190 | D | 80.1 | Confident | 83.2 | Confident | 127 Ų | 127 | 120.8 Ų | 120.8 | 68% | 0.679 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -97.3 | 128.3 | -176.4 | -66.9 | -26.3 | 0 | 0 | 0 | 111.1 | I188 P192 | I188-D190 VanDerWaalsContact CG2-O 3.27Å; I188-D190 WeakPolarHBondContact CG2-O 3.15Å; I188-D190 PolarHBondContact O-N 3.35Å; D190-P192 VanDerWaalsContact O-CD 3.27Å; D190-P192 WeakPolarHBondContact O-CD 3.46Å |
| 191 | V | 81.2 | Confident | 84.2 | Confident | 115 Ų | 115 | 118.5 Ų | 118.5 | 70% | 0.697 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 119.1 | 175.8 | 179.6 | 0 | 0 | 0 | 0 | 108.6 | D193 F194 | V191-D193 PolarHBondContact O-N 3.38Å; V191-F194 HydrophobicContact CG1-CD2 4.02Å; V191-F194 HydrophobicContact CG1-CE2 3.28Å; V191-F194 HydrophobicContact CG1-CZ 4.01Å |
| 192 | P | 84.1 | Confident | 85.1 | Confident | 65 Ų | 65 | 118.4 Ų | 118.4 | 42% | 0.422 | 61% | 0.611 | S | S | . | * | P | Polyproline II helix | trans | -57.3 | 141.5 | 177.3 | -24.9 | 34.7 | 0 | 0 | 0 | 110.8 | D190 F194 | D190-P192 VanDerWaalsContact O-CD 3.27Å; D190-P192 WeakPolarHBondContact O-CD 3.46Å; P192-F194 VanDerWaalsContact C-N 3.32Å; P192-F194 VanDerWaalsContact O-CD2 3.3Å; P192-F194 WeakPolarHBondContact O-CD2 3.37Å; P192-F194 PolarHBondContact O-N 2.89Å |
| 193 | D | 86.9 | Confident | 85.7 | Confident | 95 Ų | 95 | 119 Ų | 119 | 51% | 0.508 | 60% | 0.596 | S | S | . | * | trans | -68 | 92.4 | 176.8 | 176.7 | 17.5 | 0 | 0 | 0 | 110.6 | V191 K195 S196 L197 | V191-D193 PolarHBondContact O-N 3.38Å; D193-K195 PolarHBondContact O-N 2.94Å; D193-K195 VanDerWaalsContact O-N 3.12Å; D193-K195 WeakPolarHBondContact OD1-CB 3.3Å; D193-K195 PolarHBondContact OD1-N 2.87Å; D193-S196 PolarHBondContact O-N 3Å; D193-S196 VanDerWaalsContact O-N 3.15Å; D193-S196 PolarHBondContact O-OG 3.42Å; D193-S196 PolarHBondContact OD1-N 3.35Å; D193-S196 VanDerWaalsContact OD2-CB 3.23Å; D193-S196 WeakPolarHBondContact OD2-CB 3.47Å; D193-S196 PolarHBondContact OD2-N 2.81Å; D193-S196 PolarHBondContact OD2-OG 3.13Å; D193-L197 PolarHBondContact O-N 2.99Å; D193-L197 VanDerWaalsContact O-N 3.09Å | ||
| 194 | F | 90.5 | Very high | 86.4 | Confident | 136 Ų | 136 | 116.1 Ų | 116.1 | 60% | 0.596 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -59.2 | -23.9 | 179.5 | -62.3 | -68.6 | 0 | 0 | 0 | 113 | V191 P192 H198 | V191-F194 HydrophobicContact CG1-CD2 4.02Å; V191-F194 HydrophobicContact CG1-CE2 3.28Å; V191-F194 HydrophobicContact CG1-CZ 4.01Å; P192-F194 VanDerWaalsContact C-N 3.32Å; P192-F194 VanDerWaalsContact O-CD2 3.3Å; P192-F194 WeakPolarHBondContact O-CD2 3.37Å; P192-F194 PolarHBondContact O-N 2.89Å; F194-H198 WeakPolarHBondContact O-CB 3.34Å; F194-H198 PolarHBondContact O-N 3.21Å |
| 195 | K | 90.6 | Very high | 86.9 | Confident | 161 Ų | 161 | 110.5 Ų | 110.5 | 70% | 0.7 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -72.8 | -45.3 | 177.5 | -64 | -179.5 | -179.5 | 174.6 | 0 | 110.6 | D193 L197 H198 K199 | D193-K195 PolarHBondContact O-N 2.94Å; D193-K195 VanDerWaalsContact O-N 3.12Å; D193-K195 WeakPolarHBondContact OD1-CB 3.3Å; D193-K195 PolarHBondContact OD1-N 2.87Å; K195-L197 VanDerWaalsContact C-N 3.32Å; K195-H198 PolarHBondContact O-N 3.49Å; K195-K199 WeakPolarHBondContact O-CG 3.41Å; K195-K199 PolarHBondContact O-N 3.18Å |
| 196 | S | 92.3 | Very high | 87.1 | Confident | 56 Ų | 56 | 111.5 Ų | 111.5 | 39% | 0.392 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -61.9 | -43 | 174.3 | 73.2 | 0 | 0 | 0 | 0 | 111.3 | D193 H198 K199 A200 | D193-S196 PolarHBondContact O-N 3Å; D193-S196 VanDerWaalsContact O-N 3.15Å; D193-S196 PolarHBondContact O-OG 3.42Å; D193-S196 PolarHBondContact OD1-N 3.35Å; D193-S196 VanDerWaalsContact OD2-CB 3.23Å; D193-S196 WeakPolarHBondContact OD2-CB 3.47Å; D193-S196 PolarHBondContact OD2-N 2.81Å; D193-S196 PolarHBondContact OD2-OG 3.13Å; S196-H198 PolarHBondContact O-N 3.45Å; S196-K199 PolarHBondContact O-N 2.87Å; S196-A200 WeakPolarHBondContact O-CB 3.45Å; S196-A200 PolarHBondContact O-N 2.97Å |
| 197 | L | 93.7 | Very high | 87.3 | Confident | 108 Ų | 108 | 107.4 Ų | 107.4 | 57% | 0.565 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -63 | -44.4 | 179.4 | -135.5 | 83.2 | 0 | 0 | 0 | 111.5 | D193 K195 K199 A200 L201 | D193-L197 PolarHBondContact O-N 2.99Å; D193-L197 VanDerWaalsContact O-N 3.09Å; K195-L197 VanDerWaalsContact C-N 3.32Å; L197-K199 PolarHBondContact O-N 3.06Å; L197-A200 PolarHBondContact O-N 3.35Å; L197-L201 WeakPolarHBondContact O-CB 3.35Å; L197-L201 PolarHBondContact O-N 3.3Å |
| 198 | H | 93.4 | Very high | 87.5 | Confident | 107 Ų | 107 | 106 Ų | 106 | 50% | 0.495 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.2 | -41.5 | 177.3 | -174.2 | 55.5 | 0 | 0 | 0 | 112 | F194 K195 S196 A200 L201 Q202 | F194-H198 WeakPolarHBondContact O-CB 3.34Å; F194-H198 PolarHBondContact O-N 3.21Å; K195-H198 PolarHBondContact O-N 3.49Å; S196-H198 PolarHBondContact O-N 3.45Å; H198-A200 VanDerWaalsContact C-N 3.34Å; H198-L201 PolarHBondContact O-N 3.09Å; H198-Q202 PolarHBondContact CE1-NE2 3.46Å; H198-Q202 PolarHBondContact NE2-NE2 3.03Å; H198-Q202 WeakPolarHBondContact O-CB 3.48Å; H198-Q202 WeakPolarHBondContact O-CG 3.47Å; H198-Q202 PolarHBondContact O-N 2.98Å |
| 199 | K | 95.1 | Very high | 87.5 | Confident | 133 Ų | 133 | 107.6 Ų | 107.6 | 58% | 0.578 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65.1 | -36.6 | 174.8 | -73.4 | 176.6 | 179.9 | -177.8 | 0 | 112.4 | K195 S196 L197 R203 | K195-K199 WeakPolarHBondContact O-CG 3.41Å; K195-K199 PolarHBondContact O-N 3.18Å; S196-K199 PolarHBondContact O-N 2.87Å; L197-K199 PolarHBondContact O-N 3.06Å; K199-R203 WeakPolarHBondContact O-CB 3.38Å; K199-R203 WeakPolarHBondContact O-CG 3.36Å; K199-R203 PolarHBondContact O-N 2.82Å; K199-R203 PolarHBondContact O-NE 3.44Å |
| 200 | A | 95.3 | Very high | 87.3 | Confident | 44 Ų | 44 | 109.7 Ų | 109.7 | 36% | 0.364 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.2 | -46.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111 | S196 L197 H198 Q202 R203 E204 | S196-A200 WeakPolarHBondContact O-CB 3.45Å; S196-A200 PolarHBondContact O-N 2.97Å; L197-A200 PolarHBondContact O-N 3.35Å; H198-A200 VanDerWaalsContact C-N 3.34Å; A200-Q202 PolarHBondContact O-N 3.28Å; A200-R203 PolarHBondContact O-N 3.49Å; A200-E204 PolarHBondContact O-N 3.3Å |
| 201 | L | 94.8 | Very high | 86.5 | Confident | 111 Ų | 111 | 107.6 Ų | 107.6 | 58% | 0.581 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.2 | -41.6 | 177.3 | -173.7 | 151.7 | 0 | 0 | 0 | 112 | L197 H198 E204 A205 | L197-L201 WeakPolarHBondContact O-CB 3.35Å; L197-L201 PolarHBondContact O-N 3.3Å; H198-L201 PolarHBondContact O-N 3.09Å; L201-E204 PolarHBondContact O-N 3.47Å; L201-A205 WeakPolarHBondContact O-CB 3.37Å; L201-A205 PolarHBondContact O-N 2.91Å |
| 202 | Q | 93.1 | Very high | 85.7 | Confident | 98 Ų | 98 | 109.1 Ų | 109.1 | 46% | 0.458 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.4 | -44.3 | 174.8 | -77.7 | -176.2 | -10.6 | 0 | 0 | 111.9 | H198 A200 A205 L206 | H198-Q202 PolarHBondContact CE1-NE2 3.46Å; H198-Q202 PolarHBondContact NE2-NE2 3.03Å; H198-Q202 WeakPolarHBondContact O-CB 3.48Å; H198-Q202 WeakPolarHBondContact O-CG 3.47Å; H198-Q202 PolarHBondContact O-N 2.98Å; A200-Q202 PolarHBondContact O-N 3.28Å; Q202-A205 PolarHBondContact O-N 2.82Å; Q202-L206 WeakPolarHBondContact O-CG 3.34Å; Q202-L206 PolarHBondContact O-N 2.94Å; Q202-L206 VanDerWaalsContact O-N 3.11Å |
| 203 | R | 92.5 | Very high | 84.8 | Confident | 161 Ų | 161 | 113.7 Ų | 113.7 | 61% | 0.608 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -60.9 | -47.4 | 175.5 | -82.7 | -178.3 | -74.5 | 140.1 | -6.4 | 111.5 | K199 A200 A205 L206 E207 | K199-R203 WeakPolarHBondContact O-CB 3.38Å; K199-R203 WeakPolarHBondContact O-CG 3.36Å; K199-R203 PolarHBondContact O-N 2.82Å; K199-R203 PolarHBondContact O-NE 3.44Å; A200-R203 PolarHBondContact O-N 3.49Å; R203-A205 VanDerWaalsContact C-N 3.28Å; R203-A205 PolarHBondContact O-N 3Å; R203-L206 WeakPolarHBondContact O-CA 3.12Å; R203-L206 WeakPolarHBondContact O-CB 3.47Å; R203-L206 PolarHBondContact O-N 3.21Å; R203-E207 WeakPolarHBondContact O-CG 3.38Å; R203-E207 PolarHBondContact O-N 2.68Å |
| 204 | E | 92.7 | Very high | 83.9 | Confident | 103 Ų | 103 | 115 Ų | 115 | 48% | 0.481 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -60.2 | -38.7 | 177.9 | -167.8 | -172.6 | 167.6 | 0 | 0 | 112.1 | A200 L201 L206 E207 K208 | A200-E204 PolarHBondContact O-N 3.3Å; L201-E204 PolarHBondContact O-N 3.47Å; E204-L206 VanDerWaalsContact C-N 3.27Å; E204-L206 PolarHBondContact O-N 2.8Å; E204-E207 PolarHBondContact O-N 3.3Å; E204-K208 HydrophobicContact CG-CD 4.34Å; E204-K208 WeakPolarHBondContact O-CB 3.49Å; E204-K208 WeakPolarHBondContact O-CG 3.5Å; E204-K208 PolarHBondContact O-N 3.44Å; E204-K208 WeakPolarHBondContact OE1-CE 3.46Å; E204-K208 IonicContact OE1-NZ 2.75Å; E204-K208 PolarHBondContact OE1-NZ 2.9Å |
| 205 | A | 88.8 | Confident | 82.9 | Confident | 45 Ų | 45 | 114.7 Ų | 114.7 | 37% | 0.372 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -66.9 | -27.2 | 175 | 0 | 0 | 0 | 0 | 0 | 113.2 | L201 Q202 R203 K209 | L201-A205 WeakPolarHBondContact O-CB 3.37Å; L201-A205 PolarHBondContact O-N 2.91Å; Q202-A205 PolarHBondContact O-N 2.82Å; R203-A205 VanDerWaalsContact C-N 3.28Å; R203-A205 PolarHBondContact O-N 3Å; A205-K209 WeakPolarHBondContact O-CD 3.37Å; A205-K209 VanDerWaalsContact O-CG 3.27Å; A205-K209 WeakPolarHBondContact O-CG 3.39Å |
| 206 | L | 85.3 | Confident | 81.8 | Confident | 95 Ų | 95 | 118.3 Ų | 118.3 | 50% | 0.497 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -78.8 | -42.4 | 173.8 | -66.6 | 174.4 | 0 | 0 | 0 | 111.4 | Q202 R203 E204 K209 Q210 | Q202-L206 WeakPolarHBondContact O-CG 3.34Å; Q202-L206 PolarHBondContact O-N 2.94Å; Q202-L206 VanDerWaalsContact O-N 3.11Å; R203-L206 WeakPolarHBondContact O-CA 3.12Å; R203-L206 WeakPolarHBondContact O-CB 3.47Å; R203-L206 PolarHBondContact O-N 3.21Å; E204-L206 VanDerWaalsContact C-N 3.27Å; E204-L206 PolarHBondContact O-N 2.8Å; L206-K209 WeakPolarHBondContact O-CB 3.36Å; L206-K209 PolarHBondContact O-N 3.37Å; L206-Q210 PolarHBondContact O-N 3.39Å |
| 207 | E | 82.6 | Confident | 80.8 | Confident | 117 Ų | 117 | 121.3 Ų | 121.3 | 55% | 0.547 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -61 | -46.1 | 175.3 | -69 | -60.6 | 143.7 | 0 | 0 | 111.3 | R203 E204 K209 Q210 S211 | R203-E207 WeakPolarHBondContact O-CG 3.38Å; R203-E207 PolarHBondContact O-N 2.68Å; E204-E207 PolarHBondContact O-N 3.3Å; E207-K209 PolarHBondContact O-N 3.16Å; E207-K209 VanDerWaalsContact O-N 3.16Å; E207-Q210 CarbonylContact O-C 3.59Å; E207-Q210 WeakPolarHBondContact O-CA 3.28Å; E207-Q210 PolarHBondContact O-N 3.32Å; E207-S211 PolarHBondContact O-N 2.93Å; E207-S211 PolarHBondContact O-OG 3.43Å |
| 208 | K | 79.2 | Confident | 79.9 | Confident | 114 Ų | 114 | 124.4 Ų | 124.4 | 50% | 0.496 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -61.9 | -24.7 | 176.9 | -74.6 | 179.5 | -178.5 | 171.3 | 0 | 114 | E204 Q212 | E204-K208 HydrophobicContact CG-CD 4.34Å; E204-K208 WeakPolarHBondContact O-CB 3.49Å; E204-K208 WeakPolarHBondContact O-CG 3.5Å; E204-K208 PolarHBondContact O-N 3.44Å; E204-K208 WeakPolarHBondContact OE1-CE 3.46Å; E204-K208 IonicContact OE1-NZ 2.75Å; E204-K208 PolarHBondContact OE1-NZ 2.9Å; K208-Q212 PolarHBondContact O-N 3.27Å |
| 209 | K | 74.6 | Confident | 79.2 | Confident | 159 Ų | 159 | 124.5 Ų | 124.5 | 69% | 0.691 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -76.6 | -26.3 | 173.1 | -73.4 | 172.5 | -176.8 | -176.1 | 0 | 112.4 | A205 L206 E207 | A205-K209 WeakPolarHBondContact O-CD 3.37Å; A205-K209 VanDerWaalsContact O-CG 3.27Å; A205-K209 WeakPolarHBondContact O-CG 3.39Å; L206-K209 WeakPolarHBondContact O-CB 3.36Å; L206-K209 PolarHBondContact O-N 3.37Å; E207-K209 PolarHBondContact O-N 3.16Å; E207-K209 VanDerWaalsContact O-N 3.16Å |
| 210 | Q | 66.1 | Low | 78.2 | Confident | 153 Ų | 153 | 126 Ų | 126 | 72% | 0.715 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -89.4 | -30.4 | 178.9 | -63.7 | -176.3 | 35.9 | 0 | 0 | 111.9 | L206 E207 | L206-Q210 PolarHBondContact O-N 3.39Å; E207-Q210 CarbonylContact O-C 3.59Å; E207-Q210 WeakPolarHBondContact O-CA 3.28Å; E207-Q210 PolarHBondContact O-N 3.32Å |
| 211 | S | 64.2 | Low | 77 | Confident | 84 Ų | 84 | 133.4 Ų | 133.4 | 59% | 0.587 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -92.9 | -1.5 | -176.2 | 77.4 | 0 | 0 | 0 | 0 | 114.9 | E207 D213 | E207-S211 PolarHBondContact O-N 2.93Å; E207-S211 PolarHBondContact O-OG 3.43Å; S211-D213 PolarHBondContact O-N 2.93Å |
| 212 | Q | 64.1 | Low | 75.5 | Confident | 146 Ų | 146 | 133.1 Ų | 133.1 | 68% | 0.682 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -73.8 | 106 | 166.1 | -84.3 | -174.8 | -1.8 | 0 | 0 | 107.5 | K208 V214 | K208-Q212 PolarHBondContact O-N 3.27Å; Q212-V214 PolarHBondContact O-N 2.63Å |
| 213 | D | 65.1 | Low | 74.4 | Confident | 162 Ų | 162 | 139.6 Ų | 139.6 | 87% | 0.866 | 68% | 0.682 | S | S | * | * | trans | -53.5 | 96.6 | 161 | -77.6 | -32.6 | 0 | 0 | 0 | 107.5 | S211 T215 | S211-D213 PolarHBondContact O-N 2.93Å; D213-T215 PolarHBondContact O-N 3.37Å; D213-T215 VanDerWaalsContact O-N 3.16Å | ||
| 214 | V | 67.6 | Low | 73.1 | Confident | 121 Ų | 121 | 135.7 Ų | 135.7 | 73% | 0.733 | 68% | 0.676 | S | S | * | * | trans | -52.6 | 125 | 176.5 | 177.2 | 0 | 0 | 0 | 0 | 106.4 | Q212 R216 | Q212-V214 PolarHBondContact O-N 2.63Å; V214-R216 VanDerWaalsContact C-N 3.32Å; V214-R216 PolarHBondContact O-N 3.4Å | ||
| 215 | T | 70.6 | Confident | 71.5 | Confident | 130 Ų | 130 | 136.4 Ų | 136.4 | 80% | 0.798 | 69% | 0.692 | S | S | * | * | trans | -51.3 | 100.9 | 172.5 | -53.8 | 0 | 0 | 0 | 0 | 108 | D213 C217 | D213-T215 PolarHBondContact O-N 3.37Å; D213-T215 VanDerWaalsContact O-N 3.16Å; T215-C217 PolarHBondContact O-N 2.96Å | ||
| 216 | R | 67.6 | Low | 70.1 | Confident | 238 Ų | 238 | 138.4 Ų | 138.4 | 90% | 0.898 | 71% | 0.709 | S | S | * | * | trans | -69.9 | 109.6 | 178.7 | -78.4 | -171.7 | 170.7 | -174.1 | -0.9 | 106.3 | V214 Q218 | V214-R216 VanDerWaalsContact C-N 3.32Å; V214-R216 PolarHBondContact O-N 3.4Å; R216-Q218 PolarHBondContact O-N 3.38Å | ||
| 217 | C | 69.8 | Low | 69.3 | Low | 118 Ų | 118 | 139.7 Ų | 139.7 | 80% | 0.797 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 117.3 | 170.1 | -63.2 | 0 | 0 | 0 | 0 | 108 | T215 P219 | T215-C217 PolarHBondContact O-N 2.96Å; C217-P219 WeakPolarHBondContact O-CD 3.46Å |
| 218 | Q | 76.2 | Confident | 68.5 | Low | 173 Ų | 173 | 140 Ų | 140 | 81% | 0.808 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 121.4 | 171.7 | -171.5 | 176.2 | -3.4 | 0 | 0 | 107 | R216 F220 | R216-Q218 PolarHBondContact O-N 3.38Å; Q218-F220 PolarHBondContact O-N 3.49Å |
| 219 | P | 77.3 | Confident | 67.6 | Low | 109 Ų | 109 | 138.9 Ų | 138.9 | 71% | 0.708 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 116.3 | 177.1 | 24.7 | -31.7 | 0 | 0 | 0 | 107.5 | C217 | C217-P219 WeakPolarHBondContact O-CD 3.46Š|
| 220 | F | 74.7 | Confident | 66.9 | Low | 164 Ų | 164 | 143 Ų | 143 | 72% | 0.719 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -97.3 | 133.7 | 173 | 62.8 | -79.8 | 0 | 0 | 0 | 108.3 | Q218 L222 | Q218-F220 PolarHBondContact O-N 3.49Å; F220-L222 HydrophobicContact CD2-CD1 4.04Å; F220-L222 HydrophobicContact CE2-CD1 3.37Å; F220-L222 HydrophobicContact CZ-CD1 4.29Å; F220-L222 PolarHBondContact O-N 3.48Å; F220-L222 VanDerWaalsContact O-N 3.09Å |
| 221 | F | 69.4 | Low | 66.4 | Low | 200 Ų | 200 | 145.4 Ų | 145.4 | 88% | 0.877 | 76% | 0.759 | S | S | * | * | trans | -75.8 | 101.4 | 176.3 | -64 | -81.9 | 0 | 0 | 0 | 108.6 | R223 | F221-R223 PolarHBondContact O-N 3.44Š| ||
| 222 | L | 64.5 | Low | 65.9 | Low | 106 Ų | 106 | 150.7 Ų | 150.7 | 56% | 0.555 | 77% | 0.767 | S | S | * | * | trans | -62.5 | 128.5 | 168.3 | -146.6 | 79.2 | 0 | 0 | 0 | 107.6 | F220 T224 | F220-L222 HydrophobicContact CD2-CD1 4.04Å; F220-L222 HydrophobicContact CE2-CD1 3.37Å; F220-L222 HydrophobicContact CZ-CD1 4.29Å; F220-L222 PolarHBondContact O-N 3.48Å; F220-L222 VanDerWaalsContact O-N 3.09Å; L222-T224 HydrophobicContact CB-CG2 4.5Å; L222-T224 HydrophobicContact CD2-CG2 3.57Å; L222-T224 HydrophobicContact CG-CG2 4.08Å; L222-T224 PolarHBondContact O-N 3.44Å; L222-T224 PolarHBondContact O-OG1 3.05Å | ||
| 223 | R | 69.8 | Low | 65.3 | Low | 233 Ų | 233 | 153.3 Ų | 153.3 | 88% | 0.879 | 78% | 0.776 | S | S | * | * | G | 310 helix | trans | -67 | 23.3 | -180 | -65.7 | -170.7 | 178.9 | -179.2 | 0.3 | 114.1 | F221 S225 | F221-R223 PolarHBondContact O-N 3.44Å; R223-S225 PolarHBondContact O-N 2.88Å |
| 224 | T | 65.1 | Low | 64.5 | Low | 80 Ų | 80 | 154 Ų | 154 | 49% | 0.491 | 77% | 0.772 | S | S | . | * | G | 310 helix | trans | -76.2 | -8.6 | 176.9 | 49.4 | 0 | 0 | 0 | 0 | 113.1 | L222 A226 L227 | L222-T224 HydrophobicContact CB-CG2 4.5Å; L222-T224 HydrophobicContact CD2-CG2 3.57Å; L222-T224 HydrophobicContact CG-CG2 4.08Å; L222-T224 PolarHBondContact O-N 3.44Å; L222-T224 PolarHBondContact O-OG1 3.05Å; T224-A226 PolarHBondContact O-N 3.35Å; T224-L227 HydrophobicContact CG2-CD1 4.35Å; T224-L227 PolarHBondContact O-N 2.91Å |
| 225 | S | 58.8 | Low | 63.8 | Low | 117 Ų | 117 | 153.7 Ų | 153.7 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | G | 310 helix | trans | -65.7 | -17.9 | 171 | 55 | 0 | 0 | 0 | 0 | 114 | R223 | R223-S225 PolarHBondContact O-N 2.88Š|
| 226 | A | 60.3 | Low | 62.6 | Low | 87 Ų | 87 | 153.8 Ų | 153.8 | 72% | 0.719 | 78% | 0.775 | S | S | * | * | G | 310 helix | trans | -86.9 | -4.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | T224 | T224-A226 PolarHBondContact O-N 3.35Š|
| 227 | L | 67.1 | Low | 61.4 | Low | 122 Ų | 122 | 151.6 Ų | 151.6 | 64% | 0.639 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -87.1 | 126.3 | 175.4 | -61.8 | 177.8 | 0 | 0 | 0 | 109.3 | T224 A229 | T224-L227 HydrophobicContact CG2-CD1 4.35Å; T224-L227 PolarHBondContact O-N 2.91Å; L227-A229 PolarHBondContact O-N 3.34Å |
| 228 | P | 67.3 | Low | 59.9 | Low | 124 Ų | 124 | 152.9 Ų | 152.9 | 81% | 0.805 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 123.2 | 177.4 | 23.9 | -31.5 | 0 | 0 | 0 | 109.9 | R230 | P228-R230 PolarHBondContact O-N 3.37Š|
| 229 | A | 60.3 | Low | 58.7 | Low | 90 Ų | 90 | 150 Ų | 150 | 74% | 0.744 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 127.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | L227 K231 | L227-A229 PolarHBondContact O-N 3.34Å; A229-K231 PolarHBondContact O-N 2.97Å |
| 230 | R | 58.5 | Low | 57.2 | Low | 245 Ų | 245 | 154.1 Ų | 154.1 | 93% | 0.925 | 79% | 0.788 | S | S | * | * | trans | -57.3 | 112.2 | 172.3 | -171.9 | 176.2 | -174 | 173.7 | 2.1 | 108.2 | P228 Y232 | P228-R230 PolarHBondContact O-N 3.37Å; R230-Y232 PolarHBondContact O-N 3.05Å | ||
| 231 | K | 56.8 | Low | 55.8 | Low | 205 Ų | 205 | 153.4 Ų | 153.4 | 89% | 0.891 | 80% | 0.797 | S | S | * | * | trans | -61.7 | 97.9 | -176.6 | -65.1 | -172.8 | -179.2 | -177 | 0 | 110.4 | A229 | A229-K231 PolarHBondContact O-N 2.97Š| ||
| 232 | Y | 53.3 | Low | 54.7 | Low | 194 Ų | 194 | 149 Ų | 149 | 76% | 0.761 | 79% | 0.791 | S | S | * | * | trans | -82.9 | 112.2 | 165.8 | -168.2 | -85.3 | 0 | 0 | 0 | 107.5 | R230 K234 | R230-Y232 PolarHBondContact O-N 3.05Å; Y232-K234 HydrophobicContact CD1-CG 3.8Å; Y232-K234 HydrophobicContact CE1-CG 4.03Å; Y232-K234 PolarHBondContact O-N 3.12Å | ||
| 233 | K | 51.7 | Low | 53.7 | Low | 201 Ų | 201 | 152.9 Ų | 152.9 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 116.6 | 173.1 | -74.9 | -175 | 174.7 | -176.2 | 0 | 108.6 | ||
| 234 | K | 48.9 | Very low | 52.4 | Low | 177 Ų | 177 | 151 Ų | 151 | 77% | 0.77 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -101.7 | 142.7 | 164.6 | -72.3 | -164.9 | 177.4 | -178.5 | 0 | 109.8 | Y232 | Y232-K234 HydrophobicContact CD1-CG 3.8Å; Y232-K234 HydrophobicContact CE1-CG 4.03Å; Y232-K234 PolarHBondContact O-N 3.12Å |
| 235 | P | 51.4 | Low | 51.3 | Low | 114 Ų | 114 | 153.6 Ų | 153.6 | 74% | 0.74 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 162.9 | 174.4 | 31.5 | -33.5 | 0 | 0 | 0 | 111.5 | ||
| 236 | P | 45.6 | Very low | 51 | Low | 133 Ų | 133 | 156 Ų | 156 | 86% | 0.864 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 153.3 | -159.2 | 27.1 | -33.8 | 0 | 0 | 0 | 115.2 | ||
| 237 | E | 42.9 | Very low | 50.4 | Low | 191 Ų | 191 | 159.9 Ų | 159.9 | 89% | 0.893 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -64 | 137.9 | -178.7 | -65.4 | 166.5 | 141.7 | 0 | 0 | 113.3 | ||
| 238 | T | 39.1 | Very low | 49.5 | Very low | 146 Ų | 146 | 157.2 Ų | 157.2 | 90% | 0.896 | 83% | 0.831 | S | S | * | * | trans | -116.4 | 126.3 | 138.2 | 36.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 239 | S | 49.5 | Very low | 48.6 | Very low | 112 Ų | 112 | 162.3 Ų | 162.3 | 78% | 0.783 | 83% | 0.834 | S | S | * | * | trans | -74.5 | 125 | -174.8 | 49.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 240 | Q | 47.1 | Very low | 48.1 | Very low | 195 Ų | 195 | 162.5 Ų | 162.5 | 91% | 0.911 | 83% | 0.83 | S | S | * | * | trans | -165.4 | 117.8 | 132.8 | -115.4 | 177.6 | 8.9 | 0 | 0 | 110.8 | ||||
| 241 | V | 44.8 | Very low | 48.1 | Very low | 149 Ų | 149 | 160.1 Ų | 160.1 | 90% | 0.903 | 83% | 0.826 | S | S | * | * | trans | -81.8 | 122.8 | 171.4 | 174.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 242 | S | 45.4 | Very low | 47.9 | Very low | 107 Ų | 107 | 154 Ų | 154 | 75% | 0.748 | 81% | 0.81 | S | S | * | * | trans | -141.8 | 107 | 158.2 | 67.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 243 | K | 43.3 | Very low | 48 | Very low | 189 Ų | 189 | 152.5 Ų | 152.5 | 82% | 0.822 | 81% | 0.814 | S | S | * | * | trans | 23.6 | 105 | 149.5 | -66.7 | 174 | 179.7 | 175.9 | 0 | 116.5 | N245 | K243-N245 PolarHBondContact O-N 3.26Š| ||
| 244 | M | 42.7 | Very low | 48 | Very low | 192 Ų | 192 | 145.1 Ų | 145.1 | 95% | 0.946 | 80% | 0.795 | S | S | * | * | trans | -66.9 | 96.8 | 166.9 | -64.6 | 170.4 | 66.5 | 0 | 0 | 110 | ||||
| 245 | N | 42.8 | Very low | 48.1 | Very low | 135 Ų | 135 | 139.9 Ų | 139.9 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | trans | -92.3 | 133.8 | 158.7 | -74.8 | -19.6 | 0 | 0 | 0 | 108.4 | K243 L247 | K243-N245 PolarHBondContact O-N 3.26Å; N245-L247 PolarHBondContact O-N 3.47Å | ||
| 246 | N | 51.7 | Low | 48.2 | Very low | 169 Ų | 169 | 141 Ų | 141 | 90% | 0.904 | 78% | 0.784 | S | S | * | * | trans | -53.1 | 94.6 | 178 | -62.9 | -73 | 0 | 0 | 0 | 111.3 | G248 | N246-G248 PolarHBondContact O-N 3Š| ||
| 247 | L | 49.4 | Very low | 48.6 | Very low | 168 Ų | 168 | 140.7 Ų | 140.7 | 88% | 0.88 | 78% | 0.779 | S | S | * | * | trans | -78.3 | 102.9 | 167.8 | -69.4 | 175.4 | 0 | 0 | 0 | 107.8 | N245 R249 | N245-L247 PolarHBondContact O-N 3.47Å; L247-R249 PolarHBondContact O-N 3.41Å | ||
| 248 | G | 48.2 | Very low | 49.1 | Very low | 65 Ų | 65 | 138.8 Ų | 138.8 | 67% | 0.67 | 77% | 0.774 | S | S | * | * | trans | -45.5 | 132.1 | 162.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | N246 S250 | N246-G248 PolarHBondContact O-N 3Å; G248-S250 VanDerWaalsContact C-N 3.29Å; G248-S250 PolarHBondContact O-N 2.9Å | ||
| 249 | R | 47.6 | Very low | 49.9 | Very low | 231 Ų | 231 | 136.2 Ų | 136.2 | 87% | 0.872 | 76% | 0.759 | S | S | * | * | trans | -58.1 | 88.6 | 179.8 | -171.6 | 178.8 | -153.6 | -141 | 2.1 | 109.7 | L247 K251 | L247-R249 PolarHBondContact O-N 3.41Å; R249-K251 PolarHBondContact O-N 2.97Å | ||
| 250 | S | 50 | Low | 50.1 | Low | 94 Ų | 94 | 135.1 Ų | 135.1 | 66% | 0.657 | 75% | 0.751 | S | S | * | * | trans | -63.9 | 118.5 | 174.2 | 69.4 | 0 | 0 | 0 | 0 | 107.9 | G248 S252 | G248-S250 VanDerWaalsContact C-N 3.29Å; G248-S250 PolarHBondContact O-N 2.9Å; S250-S252 PolarHBondContact O-N 3.32Å; S250-S252 VanDerWaalsContact O-N 3.09Å | ||
| 251 | K | 58.3 | Low | 50.7 | Low | 195 Ų | 195 | 132.9 Ų | 132.9 | 85% | 0.848 | 75% | 0.751 | S | S | * | * | trans | -81.5 | 65.4 | 167.6 | -68.1 | -178.7 | -179.9 | 175.3 | 0 | 108.1 | R249 L253 | R249-K251 PolarHBondContact O-N 2.97Å; K251-L253 PolarHBondContact O-N 3.18Å | ||
| 252 | S | 53.2 | Low | 51.4 | Low | 78 Ų | 78 | 133.1 Ų | 133.1 | 55% | 0.545 | 75% | 0.747 | S | S | . | * | trans | -97.1 | 67.2 | 169.3 | 60.6 | 0 | 0 | 0 | 0 | 109.4 | S250 | S250-S252 PolarHBondContact O-N 3.32Å; S250-S252 VanDerWaalsContact O-N 3.09Å | ||
| 253 | L | 54.1 | Low | 52.1 | Low | 162 Ų | 162 | 132.3 Ų | 132.3 | 85% | 0.848 | 74% | 0.738 | S | S | * | * | trans | -92.4 | 1.4 | 165.5 | -70.6 | 178.7 | 0 | 0 | 0 | 112.6 | K251 A255 | K251-L253 PolarHBondContact O-N 3.18Å; L253-A255 VanDerWaalsContact C-N 3.3Å | ||
| 254 | G | 53.3 | Low | 52.9 | Low | 46 Ų | 46 | 130.6 Ų | 130.6 | 47% | 0.474 | 74% | 0.737 | S | S | . | * | G | 310 helix | trans | -81.7 | -2.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | L256 T257 | G254-L256 VanDerWaalsContact C-N 3.3Å; G254-L256 PolarHBondContact O-N 3.43Å; G254-T257 PolarHBondContact O-OG1 3.11Å; G254-T257 VanDerWaalsContact O-OG1 3.13Å |
| 255 | A | 50.7 | Low | 53.8 | Low | 66 Ų | 66 | 126.8 Ų | 126.8 | 55% | 0.545 | 73% | 0.727 | S | S | . | * | G | 310 helix | trans | -78.5 | -9.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | L253 | L253-A255 VanDerWaalsContact C-N 3.3Š|
| 256 | L | 53.2 | Low | 54.8 | Low | 139 Ų | 139 | 126.1 Ų | 126.1 | 73% | 0.728 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -100.1 | -7.2 | 178.4 | -61 | 180 | 0 | 0 | 0 | 113.7 | G254 L258 T259 | G254-L256 VanDerWaalsContact C-N 3.3Å; G254-L256 PolarHBondContact O-N 3.43Å; L256-L258 VanDerWaalsContact C-N 3.3Å; L256-T259 PolarHBondContact O-OG1 3.18Å |
| 257 | T | 54.2 | Low | 55.4 | Low | 126 Ų | 126 | 128.7 Ų | 128.7 | 77% | 0.773 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | 0 | 172 | 52.3 | 0 | 0 | 0 | 0 | 112.7 | G254 | G254-T257 PolarHBondContact O-OG1 3.11Å; G254-T257 VanDerWaalsContact O-OG1 3.13Å |
| 258 | L | 52.7 | Low | 56.6 | Low | 150 Ų | 150 | 125.5 Ų | 125.5 | 79% | 0.785 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.3 | 20.5 | 174.8 | -72.7 | 166.1 | 0 | 0 | 0 | 112.1 | L256 S260 | L256-L258 VanDerWaalsContact C-N 3.3Å; L258-S260 PolarHBondContact O-N 3.46Å |
| 259 | T | 55.6 | Low | 58.4 | Low | 92 Ų | 92 | 127 Ų | 127 | 56% | 0.564 | 71% | 0.705 | S | S | * | * | trans | -76.2 | 111.6 | 169.3 | 53.9 | 0 | 0 | 0 | 0 | 108.1 | L256 | L256-T259 PolarHBondContact O-OG1 3.18Š| ||
| 260 | S | 54.3 | Low | 60.2 | Low | 90 Ų | 90 | 120 Ų | 120 | 63% | 0.629 | 69% | 0.685 | S | S | * | * | trans | -39.9 | 144.7 | 172 | -95.7 | 0 | 0 | 0 | 0 | 112.5 | L258 D262 T263 | L258-S260 PolarHBondContact O-N 3.46Å; S260-D262 PolarHBondContact O-N 2.9Å; S260-T263 PolarHBondContact O-N 2.93Å; S260-T263 PolarHBondContact O-OG1 3.31Å | ||
| 261 | T | 59.2 | Low | 62 | Low | 148 Ų | 148 | 118.4 Ų | 118.4 | 91% | 0.908 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.5 | -9.7 | 175.8 | 47.4 | 0 | 0 | 0 | 0 | 114.7 | ||
| 262 | D | 59.6 | Low | 63.4 | Low | 153 Ų | 153 | 111.3 Ų | 111.3 | 82% | 0.818 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | 3.8 | -178.7 | -92.3 | -18.1 | 0 | 0 | 0 | 115.3 | S260 | S260-D262 PolarHBondContact O-N 2.9Š|
| 263 | T | 60.2 | Low | 65.1 | Low | 90 Ų | 90 | 113.4 Ų | 113.4 | 55% | 0.552 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -91.7 | 117.9 | 176.2 | -38 | 0 | 0 | 0 | 0 | 109.8 | S260 | S260-T263 PolarHBondContact O-N 2.93Å; S260-T263 PolarHBondContact O-OG1 3.31Å |
| 264 | L | 60.7 | Low | 66.9 | Low | 154 Ų | 154 | 111.1 Ų | 111.1 | 81% | 0.806 | 63% | 0.631 | S | S | * | * | trans | -50.6 | 134.6 | 174.6 | -70 | 174 | 0 | 0 | 0 | 109.7 | T266 | L264-T266 PolarHBondContact O-N 3.09Š| ||
| 265 | P | 60.2 | Low | 68.7 | Low | 112 Ų | 112 | 116.4 Ų | 116.4 | 73% | 0.727 | 64% | 0.637 | S | S | * | * | trans | -51.8 | 111.5 | -178.4 | -23.2 | 30.6 | 0 | 0 | 0 | 109.3 | Y267 | P265-Y267 PolarHBondContact O-N 3.33Š| ||
| 266 | T | 64.2 | Low | 70.5 | Confident | 120 Ų | 120 | 116.2 Ų | 116.2 | 74% | 0.736 | 63% | 0.631 | S | S | * | * | trans | -62.4 | 111.8 | 175.3 | -36.5 | 0 | 0 | 0 | 0 | 106 | L264 I268 | L264-T266 PolarHBondContact O-N 3.09Å; T266-I268 PolarHBondContact O-N 3.46Å | ||
| 267 | Y | 65.4 | Low | 72.4 | Confident | 223 Ų | 223 | 111.7 Ų | 111.7 | 88% | 0.875 | 61% | 0.609 | S | S | * | * | trans | -48.8 | 110.7 | -176.4 | -73.6 | -87.3 | 0 | 0 | 0 | 109.4 | P265 T269 | P265-Y267 PolarHBondContact O-N 3.33Å; Y267-T269 PolarHBondContact O-N 3.11Å | ||
| 268 | I | 74.3 | Confident | 74.3 | Confident | 101 Ų | 101 | 108.3 Ų | 108.3 | 52% | 0.518 | 59% | 0.594 | S | S | . | * | trans | -65.6 | 113.5 | -175.7 | -60 | 177.3 | 0 | 0 | 0 | 106.9 | T266 V272 R273 | T266-I268 PolarHBondContact O-N 3.46Å; I268-V272 HydrophobicContact CG2-CB 3.55Å; I268-V272 HydrophobicContact CG2-CG1 3.58Å; I268-R273 HydrophobicContact CG2-CG 3.82Å; I268-R273 PolarHBondContact O-NH1 3.31Å | ||
| 269 | T | 85.7 | Confident | 76.4 | Confident | 97 Ų | 97 | 106 Ų | 106 | 60% | 0.595 | 58% | 0.581 | S | S | * | * | trans | -61.9 | 150.5 | 175.2 | -40.9 | 0 | 0 | 0 | 0 | 110 | Y267 A271 V272 R273 | Y267-T269 PolarHBondContact O-N 3.11Å; T269-A271 PolarHBondContact O-N 3.49Å; T269-A271 VanDerWaalsContact O-N 3.16Å; T269-V272 WeakPolarHBondContact O-CA 3.44Å; T269-V272 WeakPolarHBondContact O-CB 3.41Å; T269-V272 PolarHBondContact O-N 3.49Å; T269-R273 PolarHBondContact O-N 3.42Å | ||
| 270 | D | 85.8 | Confident | 78.2 | Confident | 85 Ų | 85 | 109.6 Ų | 109.6 | 46% | 0.455 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -57.2 | -35.6 | -177.6 | -159.5 | 50.9 | 0 | 0 | 0 | 113.4 | V272 R273 Q274 | D270-V272 VanDerWaalsContact C-N 3.27Å; D270-V272 PolarHBondContact O-N 2.91Å; D270-R273 VanDerWaalsContact CA-NH2 3.33Å; D270-R273 WeakPolarHBondContact O-CB 3.33Å; D270-R273 PolarHBondContact O-N 3Å; D270-R273 VanDerWaalsContact O-N 3.1Å; D270-R273 IonicContact OD1-CZ 2.64Å; D270-R273 IonicContact OD1-NE 2.74Å; D270-R273 PolarHBondContact OD1-NE 3.07Å; D270-R273 IonicContact OD1-NH2 2.83Å; D270-R273 PolarHBondContact OD1-NH2 3.47Å; D270-Q274 WeakPolarHBondContact O-CG 3.46Å; D270-Q274 PolarHBondContact O-N 2.88Å |
| 271 | A | 86.7 | Confident | 80.2 | Confident | 59 Ų | 59 | 111.3 Ų | 111.3 | 49% | 0.488 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -60 | -33.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | T269 R275 | T269-A271 PolarHBondContact O-N 3.49Å; T269-A271 VanDerWaalsContact O-N 3.16Å; A271-R275 WeakPolarHBondContact O-CB 3.41Å; A271-R275 VanDerWaalsContact O-CG 3.28Å; A271-R275 WeakPolarHBondContact O-CG 3.49Å; A271-R275 PolarHBondContact O-N 3.21Å; A271-R275 VanDerWaalsContact O-N 3.12Å; A271-R275 PolarHBondContact O-NE 3.47Å |
| 272 | V | 87.6 | Confident | 81.9 | Confident | 47 Ų | 47 | 107.3 Ų | 107.3 | 29% | 0.285 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -71.2 | -42.1 | 174.9 | -178.9 | 0 | 0 | 0 | 0 | 109.8 | I268 T269 D270 Q274 R275 C276 | I268-V272 HydrophobicContact CG2-CB 3.55Å; I268-V272 HydrophobicContact CG2-CG1 3.58Å; T269-V272 WeakPolarHBondContact O-CA 3.44Å; T269-V272 WeakPolarHBondContact O-CB 3.41Å; T269-V272 PolarHBondContact O-N 3.49Å; D270-V272 VanDerWaalsContact C-N 3.27Å; D270-V272 PolarHBondContact O-N 2.91Å; V272-Q274 PolarHBondContact O-N 3.22Å; V272-R275 PolarHBondContact O-N 3.32Å; V272-C276 PolarHBondContact O-N 3.05Å; V272-C276 PolarHBondContact O-SG 3.14Å |
| 273 | R | 88.9 | Confident | 83.6 | Confident | 122 Ų | 122 | 104.6 Ų | 104.6 | 46% | 0.46 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -59.1 | -47.3 | 174.6 | -75.1 | -171.9 | -69 | -91.7 | 0.2 | 112.2 | I268 T269 D270 R275 C276 V277 | I268-R273 HydrophobicContact CG2-CG 3.82Å; I268-R273 PolarHBondContact O-NH1 3.31Å; T269-R273 PolarHBondContact O-N 3.42Å; D270-R273 VanDerWaalsContact CA-NH2 3.33Å; D270-R273 WeakPolarHBondContact O-CB 3.33Å; D270-R273 PolarHBondContact O-N 3Å; D270-R273 VanDerWaalsContact O-N 3.1Å; D270-R273 IonicContact OD1-CZ 2.64Å; D270-R273 IonicContact OD1-NE 2.74Å; D270-R273 PolarHBondContact OD1-NE 3.07Å; D270-R273 IonicContact OD1-NH2 2.83Å; D270-R273 PolarHBondContact OD1-NH2 3.47Å; R273-R275 VanDerWaalsContact C-N 3.33Å; R273-R275 PolarHBondContact O-N 2.85Å; R273-C276 PolarHBondContact O-N 3.45Å; R273-V277 WeakPolarHBondContact O-CG2 3.45Å; R273-V277 PolarHBondContact O-N 3.43Å |
| 274 | Q | 91.9 | Very high | 85.3 | Confident | 113 Ų | 113 | 106.6 Ų | 106.6 | 53% | 0.528 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.3 | -40.3 | 178.9 | -66.8 | -59.9 | -19.6 | 0 | 0 | 112 | D270 V272 V277 A278 | D270-Q274 WeakPolarHBondContact O-CG 3.46Å; D270-Q274 PolarHBondContact O-N 2.88Å; V272-Q274 PolarHBondContact O-N 3.22Å; Q274-V277 PolarHBondContact O-N 3.11Å; Q274-A278 WeakPolarHBondContact O-CB 3.15Å; Q274-A278 PolarHBondContact O-N 3.21Å |
| 275 | R | 92.1 | Very high | 86.9 | Confident | 157 Ų | 157 | 103.6 Ų | 103.6 | 59% | 0.592 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.5 | -46.5 | 173 | -75.5 | -173.9 | -62.6 | 157.9 | -1.7 | 111.9 | A271 V272 R273 V277 A278 I279 | A271-R275 WeakPolarHBondContact O-CB 3.41Å; A271-R275 VanDerWaalsContact O-CG 3.28Å; A271-R275 WeakPolarHBondContact O-CG 3.49Å; A271-R275 PolarHBondContact O-N 3.21Å; A271-R275 VanDerWaalsContact O-N 3.12Å; A271-R275 PolarHBondContact O-NE 3.47Å; V272-R275 PolarHBondContact O-N 3.32Å; R273-R275 VanDerWaalsContact C-N 3.33Å; R273-R275 PolarHBondContact O-N 2.85Å; R275-V277 VanDerWaalsContact C-N 3.33Å; R275-V277 PolarHBondContact O-N 3.25Å; R275-A278 PolarHBondContact O-N 3.13Å; R275-I279 WeakPolarHBondContact O-CB 3.38Å; R275-I279 WeakPolarHBondContact O-CD1 3.27Å; R275-I279 WeakPolarHBondContact O-CG1 3.36Å; R275-I279 PolarHBondContact O-N 3.05Å |
| 276 | C | 88 | Confident | 88.6 | Confident | 63 Ų | 63 | 106.1 Ų | 106.1 | 43% | 0.426 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.3 | -38.5 | 177.8 | -67.8 | 0 | 0 | 0 | 0 | 112.5 | V272 R273 R280 | V272-C276 PolarHBondContact O-N 3.05Å; V272-C276 PolarHBondContact O-SG 3.14Å; R273-C276 PolarHBondContact O-N 3.45Å; C276-R280 WeakPolarHBondContact O-CG 3.38Å; C276-R280 PolarHBondContact O-N 3.36Å |
| 277 | V | 93.3 | Very high | 90 | Very high | 43 Ų | 43 | 107 Ų | 107 | 26% | 0.261 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.3 | -45.5 | 174.5 | 173 | 0 | 0 | 0 | 0 | 111.1 | R273 Q274 R275 I279 R280 K281 | R273-V277 WeakPolarHBondContact O-CG2 3.45Å; R273-V277 PolarHBondContact O-N 3.43Å; Q274-V277 PolarHBondContact O-N 3.11Å; R275-V277 VanDerWaalsContact C-N 3.33Å; R275-V277 PolarHBondContact O-N 3.25Å; V277-I279 VanDerWaalsContact C-N 3.33Å; V277-I279 PolarHBondContact O-N 3.18Å; V277-R280 PolarHBondContact O-N 3.46Å; V277-K281 HydrophobicContact CG1-CD 4.13Å; V277-K281 HydrophobicContact CG1-CG 4.45Å; V277-K281 WeakPolarHBondContact O-CG 3.27Å; V277-K281 PolarHBondContact O-N 2.97Å |
| 278 | A | 94.9 | Very high | 91.5 | Very high | 56 Ų | 56 | 98.8 Ų | 98.8 | 46% | 0.463 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.5 | -39.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q274 R275 S282 | Q274-A278 WeakPolarHBondContact O-CB 3.15Å; Q274-A278 PolarHBondContact O-N 3.21Å; R275-A278 PolarHBondContact O-N 3.13Å; A278-S282 VanDerWaalsContact O-CB 3.28Å; A278-S282 WeakPolarHBondContact O-CB 3.38Å; A278-S282 PolarHBondContact O-N 3Å |
| 279 | I | 95.1 | Very high | 92.5 | Very high | 101 Ų | 101 | 100.2 Ų | 100.2 | 52% | 0.518 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.6 | -47.5 | 175.4 | -68.9 | 164.5 | 0 | 0 | 0 | 110.4 | R275 V277 S282 M283 | R275-I279 WeakPolarHBondContact O-CB 3.38Å; R275-I279 WeakPolarHBondContact O-CD1 3.27Å; R275-I279 WeakPolarHBondContact O-CG1 3.36Å; R275-I279 PolarHBondContact O-N 3.05Å; V277-I279 VanDerWaalsContact C-N 3.33Å; V277-I279 PolarHBondContact O-N 3.18Å; I279-S282 PolarHBondContact O-N 3.42Å; I279-M283 HydrophobicContact CG2-SD 4.36Å; I279-M283 WeakPolarHBondContact O-CG 3.35Å; I279-M283 PolarHBondContact O-N 2.95Å |
| 280 | R | 95.1 | Very high | 92.9 | Very high | 168 Ų | 168 | 99.3 Ų | 99.3 | 63% | 0.634 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -58.3 | -50.5 | 176.7 | -78.4 | -173.9 | -69.7 | 167 | -3.6 | 111.9 | C276 V277 S282 M283 E284 | C276-R280 WeakPolarHBondContact O-CG 3.38Å; C276-R280 PolarHBondContact O-N 3.36Å; V277-R280 PolarHBondContact O-N 3.46Å; R280-S282 VanDerWaalsContact C-N 3.32Å; R280-S282 PolarHBondContact O-N 3.25Å; R280-M283 WeakPolarHBondContact O-CB 3.31Å; R280-M283 PolarHBondContact O-N 2.96Å; R280-M283 VanDerWaalsContact O-N 3.07Å; R280-E284 PolarHBondContact O-N 2.93Å |
| 281 | K | 96 | Very high | 93.4 | Very high | 126 Ų | 126 | 99.8 Ų | 99.8 | 55% | 0.548 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.2 | -42.2 | 176.6 | -71.3 | -177.7 | 177.5 | -176.2 | 0 | 111.9 | V277 M283 E284 I285 | V277-K281 HydrophobicContact CG1-CD 4.13Å; V277-K281 HydrophobicContact CG1-CG 4.45Å; V277-K281 WeakPolarHBondContact O-CG 3.27Å; V277-K281 PolarHBondContact O-N 2.97Å; K281-M283 VanDerWaalsContact C-N 3.3Å; K281-M283 PolarHBondContact O-N 3Å; K281-E284 PolarHBondContact O-N 3.26Å; K281-I285 WeakPolarHBondContact O-CD1 3.31Å; K281-I285 WeakPolarHBondContact O-CG1 3.48Å; K281-I285 PolarHBondContact O-N 3.38Å |
| 282 | S | 95.5 | Very high | 93.8 | Very high | 63 Ų | 63 | 103 Ų | 103 | 44% | 0.441 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.6 | -35.2 | 175.9 | 177.3 | 0 | 0 | 0 | 0 | 112.5 | A278 I279 R280 R286 | A278-S282 VanDerWaalsContact O-CB 3.28Å; A278-S282 WeakPolarHBondContact O-CB 3.38Å; A278-S282 PolarHBondContact O-N 3Å; I279-S282 PolarHBondContact O-N 3.42Å; R280-S282 VanDerWaalsContact C-N 3.32Å; R280-S282 PolarHBondContact O-N 3.25Å; S282-R286 WeakPolarHBondContact O-CG 3.28Å; S282-R286 PolarHBondContact O-N 2.93Å |
| 283 | M | 94.8 | Very high | 94.1 | Very high | 96 Ų | 96 | 104.3 Ų | 104.3 | 47% | 0.473 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -70.3 | -46.4 | 175.9 | -73.5 | -172.7 | 63.1 | 0 | 0 | 111.2 | I279 R280 K281 I285 R286 E287 | I279-M283 HydrophobicContact CG2-SD 4.36Å; I279-M283 WeakPolarHBondContact O-CG 3.35Å; I279-M283 PolarHBondContact O-N 2.95Å; R280-M283 WeakPolarHBondContact O-CB 3.31Å; R280-M283 PolarHBondContact O-N 2.96Å; R280-M283 VanDerWaalsContact O-N 3.07Å; K281-M283 VanDerWaalsContact C-N 3.3Å; K281-M283 PolarHBondContact O-N 3Å; M283-I285 VanDerWaalsContact C-N 3.3Å; M283-I285 PolarHBondContact O-N 3.11Å; M283-R286 WeakPolarHBondContact O-CA 3.43Å; M283-R286 WeakPolarHBondContact O-CB 3.45Å; M283-R286 PolarHBondContact O-N 2.89Å; M283-E287 PolarHBondContact O-N 2.75Å |
| 284 | E | 95.4 | Very high | 94.5 | Very high | 133 Ų | 133 | 100.2 Ų | 100.2 | 62% | 0.621 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -58.5 | -39.5 | 177.1 | -173.4 | 176.9 | -166.7 | 0 | 0 | 112.4 | R280 K281 R286 E287 S288 | R280-E284 PolarHBondContact O-N 2.93Å; K281-E284 PolarHBondContact O-N 3.26Å; E284-R286 VanDerWaalsContact C-N 3.3Å; E284-R286 PolarHBondContact O-N 3.18Å; E284-E287 PolarHBondContact O-N 2.87Å; E284-S288 WeakPolarHBondContact O-CB 3.17Å; E284-S288 PolarHBondContact O-N 3.46Å; E284-S288 PolarHBondContact O-OG 3.49Å |
| 285 | I | 95.2 | Very high | 94.8 | Very high | 90 Ų | 90 | 99.4 Ų | 99.4 | 46% | 0.462 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.5 | -33 | 174 | -68.2 | 163.3 | 0 | 0 | 0 | 112 | K281 M283 S288 K289 | K281-I285 WeakPolarHBondContact O-CD1 3.31Å; K281-I285 WeakPolarHBondContact O-CG1 3.48Å; K281-I285 PolarHBondContact O-N 3.38Å; M283-I285 VanDerWaalsContact C-N 3.3Å; M283-I285 PolarHBondContact O-N 3.11Å; I285-S288 VanDerWaalsContact CA-OG 3.31Å; I285-S288 WeakPolarHBondContact CA-OG 3.47Å; I285-S288 PolarHBondContact O-OG 2.92Å; I285-S288 VanDerWaalsContact O-OG 3.06Å; I285-K289 HydrophobicContact CG2-CD 4.32Å; I285-K289 WeakPolarHBondContact O-CD 3.34Å; I285-K289 VanDerWaalsContact O-CG 3.25Å; I285-K289 WeakPolarHBondContact O-CG 3.45Å; I285-K289 PolarHBondContact O-N 3.41Å |
| 286 | R | 94.2 | Very high | 95 | Very high | 165 Ų | 165 | 99.2 Ų | 99.2 | 62% | 0.623 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -75.7 | -40.5 | 175.6 | -70.5 | -168.9 | -55.6 | -172.9 | 3.7 | 111.5 | S282 M283 E284 K289 S290 | S282-R286 WeakPolarHBondContact O-CG 3.28Å; S282-R286 PolarHBondContact O-N 2.93Å; M283-R286 WeakPolarHBondContact O-CA 3.43Å; M283-R286 WeakPolarHBondContact O-CB 3.45Å; M283-R286 PolarHBondContact O-N 2.89Å; E284-R286 VanDerWaalsContact C-N 3.3Å; E284-R286 PolarHBondContact O-N 3.18Å; R286-K289 PolarHBondContact O-N 3.25Å; R286-S290 WeakPolarHBondContact O-CB 3.3Å; R286-S290 PolarHBondContact O-N 3.49Å |
| 287 | E | 95.3 | Very high | 95.5 | Very high | 139 Ų | 139 | 100.9 Ų | 100.9 | 65% | 0.65 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.2 | -51.4 | 177 | -162.7 | 91.5 | -136.6 | 0 | 0 | 110.7 | M283 E284 K289 S290 Q291 | M283-E287 PolarHBondContact O-N 2.75Å; E284-E287 PolarHBondContact O-N 2.87Å; E287-K289 PolarHBondContact O-N 3.5Å; E287-S290 CarbonylContact O-C 3.46Å; E287-S290 WeakPolarHBondContact O-CB 3.36Å; E287-S290 PolarHBondContact O-N 2.94Å; E287-S290 VanDerWaalsContact O-N 3.09Å; E287-Q291 WeakPolarHBondContact O-CB 3.44Å; E287-Q291 PolarHBondContact O-N 3.32Å |
| 288 | S | 95.3 | Very high | 95.7 | Very high | 51 Ų | 51 | 105 Ų | 105 | 36% | 0.357 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -57.7 | -46.1 | 177.5 | 46.9 | 0 | 0 | 0 | 0 | 112.5 | E284 I285 S290 Q291 E292 | E284-S288 WeakPolarHBondContact O-CB 3.17Å; E284-S288 PolarHBondContact O-N 3.46Å; E284-S288 PolarHBondContact O-OG 3.49Å; I285-S288 VanDerWaalsContact CA-OG 3.31Å; I285-S288 WeakPolarHBondContact CA-OG 3.47Å; I285-S288 PolarHBondContact O-OG 2.92Å; I285-S288 VanDerWaalsContact O-OG 3.06Å; S288-S290 VanDerWaalsContact C-N 3.32Å; S288-S290 PolarHBondContact O-N 3.31Å; S288-Q291 WeakPolarHBondContact O-CB 3.44Å; S288-Q291 PolarHBondContact O-N 3.11Å; S288-E292 WeakPolarHBondContact O-CG 3.48Å; S288-E292 PolarHBondContact O-N 3.09Å |
| 289 | K | 95.5 | Very high | 95.8 | Very high | 131 Ų | 131 | 105 Ų | 105 | 57% | 0.57 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.2 | -38.4 | 174.8 | -72.7 | 174.3 | -179.2 | -179.4 | 0 | 113 | I285 R286 E287 Q291 S293 | I285-K289 HydrophobicContact CG2-CD 4.32Å; I285-K289 WeakPolarHBondContact O-CD 3.34Å; I285-K289 VanDerWaalsContact O-CG 3.25Å; I285-K289 WeakPolarHBondContact O-CG 3.45Å; I285-K289 PolarHBondContact O-N 3.41Å; R286-K289 PolarHBondContact O-N 3.25Å; E287-K289 PolarHBondContact O-N 3.5Å; K289-Q291 VanDerWaalsContact C-N 3.34Å; K289-S293 WeakPolarHBondContact O-CB 3.34Å; K289-S293 PolarHBondContact O-N 3.31Å |
| 290 | S | 94.4 | Very high | 95.9 | Very high | 78 Ų | 78 | 106 Ų | 106 | 55% | 0.545 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.6 | -41.6 | 175.4 | -171.8 | 0 | 0 | 0 | 0 | 110.9 | R286 E287 S288 S293 A294 | R286-S290 WeakPolarHBondContact O-CB 3.3Å; R286-S290 PolarHBondContact O-N 3.49Å; E287-S290 CarbonylContact O-C 3.46Å; E287-S290 WeakPolarHBondContact O-CB 3.36Å; E287-S290 PolarHBondContact O-N 2.94Å; E287-S290 VanDerWaalsContact O-N 3.09Å; S288-S290 VanDerWaalsContact C-N 3.32Å; S288-S290 PolarHBondContact O-N 3.31Å; S290-S293 PolarHBondContact O-N 2.95Å; S290-A294 WeakPolarHBondContact O-CB 3.23Å; S290-A294 PolarHBondContact O-N 2.88Å |
| 291 | Q | 95.6 | Very high | 96 | Very high | 95 Ų | 95 | 103 Ų | 103 | 44% | 0.444 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.5 | -47.1 | 177 | -176.9 | 63.4 | 17.2 | 0 | 0 | 111.5 | E287 S288 K289 S293 A294 E295 | E287-Q291 WeakPolarHBondContact O-CB 3.44Å; E287-Q291 PolarHBondContact O-N 3.32Å; S288-Q291 WeakPolarHBondContact O-CB 3.44Å; S288-Q291 PolarHBondContact O-N 3.11Å; K289-Q291 VanDerWaalsContact C-N 3.34Å; Q291-S293 VanDerWaalsContact C-N 3.29Å; Q291-S293 PolarHBondContact O-N 3.44Å; Q291-A294 WeakPolarHBondContact O-CB 3.18Å; Q291-A294 PolarHBondContact O-N 2.91Å; Q291-A294 VanDerWaalsContact O-N 3.08Å; Q291-E295 WeakPolarHBondContact CG-OE1 3.47Å; Q291-E295 PolarHBondContact NE2-OE1 2.89Å; Q291-E295 WeakPolarHBondContact O-CB 3.44Å; Q291-E295 WeakPolarHBondContact O-CG 3.23Å; Q291-E295 PolarHBondContact O-N 2.92Å |
| 292 | E | 96.3 | Very high | 96.1 | Very high | 125 Ų | 125 | 103 Ų | 103 | 58% | 0.584 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -56.8 | -42.7 | 174.2 | -74.1 | 172.8 | -175.1 | 0 | 0 | 111.6 | S288 E295 W296 | S288-E292 WeakPolarHBondContact O-CG 3.48Å; S288-E292 PolarHBondContact O-N 3.09Å; E292-E295 PolarHBondContact O-N 3.28Å; E292-W296 VanDerWaalsContact O-CB 3.3Å; E292-W296 WeakPolarHBondContact O-CB 3.38Å; E292-W296 PolarHBondContact O-N 3.36Å |
| 293 | S | 94.4 | Very high | 96.2 | Very high | 75 Ų | 75 | 106.3 Ų | 106.3 | 52% | 0.524 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.2 | -40 | 175.5 | -176.3 | 0 | 0 | 0 | 0 | 112.1 | K289 S290 Q291 L297 | K289-S293 WeakPolarHBondContact O-CB 3.34Å; K289-S293 PolarHBondContact O-N 3.31Å; S290-S293 PolarHBondContact O-N 2.95Å; Q291-S293 VanDerWaalsContact C-N 3.29Å; Q291-S293 PolarHBondContact O-N 3.44Å; S293-L297 WeakPolarHBondContact O-CB 3.43Å; S293-L297 PolarHBondContact O-N 3.17Å |
| 294 | A | 96.6 | Very high | 96.3 | Very high | 37 Ų | 37 | 104.1 Ų | 104.1 | 31% | 0.306 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.2 | -41.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | S290 Q291 L297 K298 | S290-A294 WeakPolarHBondContact O-CB 3.23Å; S290-A294 PolarHBondContact O-N 2.88Å; Q291-A294 WeakPolarHBondContact O-CB 3.18Å; Q291-A294 PolarHBondContact O-N 2.91Å; Q291-A294 VanDerWaalsContact O-N 3.08Å; A294-L297 PolarHBondContact O-N 3.48Å; A294-K298 WeakPolarHBondContact O-CG 3.4Å; A294-K298 PolarHBondContact O-N 2.79Å |
| 295 | E | 97.1 | Very high | 96.4 | Very high | 96 Ų | 96 | 101.9 Ų | 101.9 | 45% | 0.449 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.8 | -40.4 | 175.7 | -73.9 | 176.1 | -171.9 | 0 | 0 | 112.3 | Q291 E292 L297 K298 S299 | Q291-E295 WeakPolarHBondContact CG-OE1 3.47Å; Q291-E295 PolarHBondContact NE2-OE1 2.89Å; Q291-E295 WeakPolarHBondContact O-CB 3.44Å; Q291-E295 WeakPolarHBondContact O-CG 3.23Å; Q291-E295 PolarHBondContact O-N 2.92Å; E292-E295 PolarHBondContact O-N 3.28Å; E295-L297 VanDerWaalsContact C-N 3.34Å; E295-K298 PolarHBondContact O-N 3.27Å; E295-S299 WeakPolarHBondContact O-CB 3.47Å; E295-S299 PolarHBondContact O-N 3.27Å; E295-S299 PolarHBondContact O-OG 3.05Å |
| 296 | W | 97.6 | Very high | 96.5 | Very high | 152 Ų | 152 | 100.1 Ų | 100.1 | 58% | 0.576 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.6 | -45.4 | 172.9 | -177.9 | 90.9 | 0 | 0 | 0 | 111.2 | E292 S299 Y300 | E292-W296 VanDerWaalsContact O-CB 3.3Å; E292-W296 WeakPolarHBondContact O-CB 3.38Å; E292-W296 PolarHBondContact O-N 3.36Å; W296-S299 PolarHBondContact O-N 3.17Å; W296-Y300 HydrophobicContact CH2-CD2 4.36Å; W296-Y300 HydrophobicContact CH2-CG 4.32Å; W296-Y300 VanDerWaalsContact O-CB 3.31Å; W296-Y300 WeakPolarHBondContact O-CB 3.48Å; W296-Y300 PolarHBondContact O-N 2.92Å |
| 297 | L | 97.3 | Very high | 96.7 | Very high | 99 Ų | 99 | 97.8 Ų | 97.8 | 52% | 0.518 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.1 | -43.9 | 178.2 | -176.1 | 63.3 | 0 | 0 | 0 | 111.7 | S293 A294 E295 S299 Y300 Q301 | S293-L297 WeakPolarHBondContact O-CB 3.43Å; S293-L297 PolarHBondContact O-N 3.17Å; A294-L297 PolarHBondContact O-N 3.48Å; E295-L297 VanDerWaalsContact C-N 3.34Å; L297-S299 PolarHBondContact O-N 2.97Å; L297-Y300 PolarHBondContact O-N 2.98Å; L297-Q301 WeakPolarHBondContact O-CB 3.36Å; L297-Q301 PolarHBondContact O-N 3.02Å |
| 298 | K | 97.8 | Very high | 96.8 | Very high | 128 Ų | 128 | 98.4 Ų | 98.4 | 56% | 0.557 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -58.1 | -49.2 | 174.2 | -74.1 | 173.2 | -177.9 | 176.2 | 0 | 110.8 | A294 E295 Y300 Q301 M302 | A294-K298 WeakPolarHBondContact O-CG 3.4Å; A294-K298 PolarHBondContact O-N 2.79Å; E295-K298 PolarHBondContact O-N 3.27Å; K298-Y300 VanDerWaalsContact C-N 3.34Å; K298-Y300 PolarHBondContact O-N 3.48Å; K298-Q301 PolarHBondContact O-N 3.49Å; K298-M302 VanDerWaalsContact O-CG 3.26Å; K298-M302 WeakPolarHBondContact O-CG 3.49Å; K298-M302 PolarHBondContact O-N 3.47Å |
| 299 | S | 97.3 | Very high | 96.8 | Very high | 56 Ų | 56 | 102.6 Ų | 102.6 | 39% | 0.392 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.8 | -38.2 | 180 | -65.2 | 0 | 0 | 0 | 0 | 112.2 | E295 W296 L297 M302 R303 | E295-S299 WeakPolarHBondContact O-CB 3.47Å; E295-S299 PolarHBondContact O-N 3.27Å; E295-S299 PolarHBondContact O-OG 3.05Å; W296-S299 PolarHBondContact O-N 3.17Å; L297-S299 PolarHBondContact O-N 2.97Å; S299-M302 PolarHBondContact O-N 2.91Å; S299-R303 WeakPolarHBondContact O-CG 3.2Å; S299-R303 PolarHBondContact O-N 3.23Å |
| 300 | Y | 97.4 | Very high | 96.9 | Very high | 122 Ų | 122 | 100.6 Ų | 100.6 | 48% | 0.478 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.3 | -45.4 | 173.5 | 175 | -99.4 | 0 | 0 | 0 | 111.8 | W296 L297 K298 M302 R303 S304 | W296-Y300 HydrophobicContact CH2-CD2 4.36Å; W296-Y300 HydrophobicContact CH2-CG 4.32Å; W296-Y300 VanDerWaalsContact O-CB 3.31Å; W296-Y300 WeakPolarHBondContact O-CB 3.48Å; W296-Y300 PolarHBondContact O-N 2.92Å; L297-Y300 PolarHBondContact O-N 2.98Å; K298-Y300 VanDerWaalsContact C-N 3.34Å; K298-Y300 PolarHBondContact O-N 3.48Å; Y300-M302 PolarHBondContact O-N 2.85Å; Y300-R303 PolarHBondContact O-N 3.43Å; Y300-S304 WeakPolarHBondContact O-CB 3.11Å; Y300-S304 PolarHBondContact O-N 2.81Å |
| 301 | Q | 98 | Very high | 96.9 | Very high | 107 Ų | 107 | 101 Ų | 101 | 50% | 0.5 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.9 | -43.6 | 176.8 | -172.5 | 176.8 | 7.9 | 0 | 0 | 111.4 | L297 K298 S304 Q305 | L297-Q301 WeakPolarHBondContact O-CB 3.36Å; L297-Q301 PolarHBondContact O-N 3.02Å; K298-Q301 PolarHBondContact O-N 3.49Å; Q301-S304 PolarHBondContact O-N 3.47Å; Q301-Q305 WeakPolarHBondContact O-CB 3.34Å; Q301-Q305 VanDerWaalsContact O-CG 3.31Å; Q301-Q305 WeakPolarHBondContact O-CG 3.33Å; Q301-Q305 PolarHBondContact O-N 2.93Å |
| 302 | M | 97.6 | Very high | 96.9 | Very high | 125 Ų | 125 | 101 Ų | 101 | 62% | 0.616 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.8 | -45.5 | 176 | -68.6 | -59.3 | -71.8 | 0 | 0 | 111.7 | K298 S299 Y300 Q305 A306 | K298-M302 VanDerWaalsContact O-CG 3.26Å; K298-M302 WeakPolarHBondContact O-CG 3.49Å; K298-M302 PolarHBondContact O-N 3.47Å; S299-M302 PolarHBondContact O-N 2.91Å; Y300-M302 PolarHBondContact O-N 2.85Å; M302-Q305 PolarHBondContact O-N 3.09Å; M302-A306 WeakPolarHBondContact O-CB 3.3Å; M302-A306 PolarHBondContact O-N 3.3Å |
| 303 | R | 97.6 | Very high | 96.6 | Very high | 133 Ų | 133 | 100.3 Ų | 100.3 | 50% | 0.502 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63 | -43.5 | 175.7 | -72.6 | -174.3 | -60.9 | -98.2 | 0.9 | 112.3 | S299 Y300 A306 M307 | S299-R303 WeakPolarHBondContact O-CG 3.2Å; S299-R303 PolarHBondContact O-N 3.23Å; Y300-R303 PolarHBondContact O-N 3.43Å; R303-A306 PolarHBondContact O-N 3.5Å; R303-M307 WeakPolarHBondContact O-CB 3.47Å; R303-M307 PolarHBondContact O-N 3.15Å |
| 304 | S | 96.8 | Very high | 96.6 | Very high | 50 Ų | 50 | 102.1 Ų | 102.1 | 35% | 0.35 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.7 | -41.5 | 177.4 | 170.8 | 0 | 0 | 0 | 0 | 111.8 | Y300 Q301 M307 K308 | Y300-S304 WeakPolarHBondContact O-CB 3.11Å; Y300-S304 PolarHBondContact O-N 2.81Å; Q301-S304 PolarHBondContact O-N 3.47Å; S304-M307 PolarHBondContact O-N 2.98Å; S304-K308 WeakPolarHBondContact O-CB 3.37Å; S304-K308 PolarHBondContact O-N 3.45Å |
| 305 | Q | 97.8 | Very high | 96.3 | Very high | 86 Ų | 86 | 103 Ų | 103 | 40% | 0.402 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.1 | -41.6 | 175.3 | -73.7 | -179.1 | 8.2 | 0 | 0 | 112.1 | Q301 M302 M307 K308 K309 | Q301-Q305 WeakPolarHBondContact O-CB 3.34Å; Q301-Q305 VanDerWaalsContact O-CG 3.31Å; Q301-Q305 WeakPolarHBondContact O-CG 3.33Å; Q301-Q305 PolarHBondContact O-N 2.93Å; M302-Q305 PolarHBondContact O-N 3.09Å; Q305-M307 VanDerWaalsContact C-N 3.35Å; Q305-K308 PolarHBondContact O-N 3.26Å; Q305-K309 WeakPolarHBondContact O-CG 3.39Å; Q305-K309 PolarHBondContact O-N 3.41Å |
| 306 | A | 97.6 | Very high | 96 | Very high | 52 Ų | 52 | 103.2 Ų | 103.2 | 43% | 0.43 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.6 | -47.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111 | M302 R303 K308 K309 T310 | M302-A306 WeakPolarHBondContact O-CB 3.3Å; M302-A306 PolarHBondContact O-N 3.3Å; R303-A306 PolarHBondContact O-N 3.5Å; A306-K308 VanDerWaalsContact C-N 3.35Å; A306-K308 PolarHBondContact O-N 2.84Å; A306-K309 WeakPolarHBondContact O-CB 3.42Å; A306-K309 PolarHBondContact O-N 2.92Å; A306-K309 VanDerWaalsContact O-N 3.17Å; A306-T310 PolarHBondContact O-N 3.35Å |
| 307 | M | 97.3 | Very high | 95.4 | Very high | 116 Ų | 116 | 102.8 Ų | 102.8 | 57% | 0.571 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.2 | -41.7 | 175 | -173.5 | -171 | 75.1 | 0 | 0 | 112 | R303 S304 Q305 K309 T310 V311 | R303-M307 WeakPolarHBondContact O-CB 3.47Å; R303-M307 PolarHBondContact O-N 3.15Å; S304-M307 PolarHBondContact O-N 2.98Å; Q305-M307 VanDerWaalsContact C-N 3.35Å; M307-K309 VanDerWaalsContact C-N 3.27Å; M307-K309 PolarHBondContact O-N 3.12Å; M307-T310 WeakPolarHBondContact CA-OG1 3.36Å; M307-T310 PolarHBondContact O-N 2.93Å; M307-T310 PolarHBondContact O-OG1 3.28Å; M307-V311 HydrophobicContact CG-CG2 4.31Å; M307-V311 WeakPolarHBondContact O-CB 3.4Å; M307-V311 VanDerWaalsContact O-CG2 3.28Å; M307-V311 WeakPolarHBondContact O-CG2 3.48Å; M307-V311 PolarHBondContact O-N 3Å |
| 308 | K | 96.8 | Very high | 95 | Very high | 152 Ų | 152 | 103.8 Ų | 103.8 | 66% | 0.661 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -59.9 | -39.9 | 175.9 | -176.3 | -179.9 | 178.3 | -179.6 | 0 | 111.4 | S304 Q305 A306 L312 | S304-K308 WeakPolarHBondContact O-CB 3.37Å; S304-K308 PolarHBondContact O-N 3.45Å; Q305-K308 PolarHBondContact O-N 3.26Å; A306-K308 VanDerWaalsContact C-N 3.35Å; A306-K308 PolarHBondContact O-N 2.84Å; K308-L312 WeakPolarHBondContact O-CB 3.31Å; K308-L312 PolarHBondContact O-N 3.06Å |
| 309 | K | 96.6 | Very high | 94.5 | Very high | 140 Ų | 140 | 101.6 Ų | 101.6 | 61% | 0.609 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.7 | -44.5 | 177.1 | -70.8 | 176.1 | -178 | -176.6 | 0 | 111.7 | Q305 A306 M307 L312 L313 | Q305-K309 WeakPolarHBondContact O-CG 3.39Å; Q305-K309 PolarHBondContact O-N 3.41Å; A306-K309 WeakPolarHBondContact O-CB 3.42Å; A306-K309 PolarHBondContact O-N 2.92Å; A306-K309 VanDerWaalsContact O-N 3.17Å; M307-K309 VanDerWaalsContact C-N 3.27Å; M307-K309 PolarHBondContact O-N 3.12Å; K309-L312 PolarHBondContact O-N 3.41Å; K309-L313 WeakPolarHBondContact O-CG 3.43Å; K309-L313 PolarHBondContact O-N 2.96Å |
| 310 | T | 96.4 | Very high | 94 | Very high | 88 Ų | 88 | 104.6 Ų | 104.6 | 54% | 0.54 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.5 | -43.9 | 179.3 | 56.7 | 0 | 0 | 0 | 0 | 111.7 | A306 M307 L312 L313 H314 | A306-T310 PolarHBondContact O-N 3.35Å; M307-T310 WeakPolarHBondContact CA-OG1 3.36Å; M307-T310 PolarHBondContact O-N 2.93Å; M307-T310 PolarHBondContact O-OG1 3.28Å; T310-L312 VanDerWaalsContact C-N 3.35Å; T310-L312 PolarHBondContact O-N 2.96Å; T310-L313 PolarHBondContact O-N 3.4Å; T310-H314 PolarHBondContact O-N 2.86Å |
| 311 | V | 96 | Very high | 93.3 | Very high | 87 Ų | 87 | 105.8 Ų | 105.8 | 53% | 0.527 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.4 | -42.8 | 175.3 | 173.2 | 0 | 0 | 0 | 0 | 111 | M307 L313 H314 A315 | M307-V311 HydrophobicContact CG-CG2 4.31Å; M307-V311 WeakPolarHBondContact O-CB 3.4Å; M307-V311 VanDerWaalsContact O-CG2 3.28Å; M307-V311 WeakPolarHBondContact O-CG2 3.48Å; M307-V311 PolarHBondContact O-N 3Å; V311-L313 PolarHBondContact O-N 3.48Å; V311-H314 PolarHBondContact O-N 3.27Å; V311-A315 WeakPolarHBondContact O-CB 3.45Å; V311-A315 PolarHBondContact O-N 2.64Å |
| 312 | L | 94.1 | Very high | 92.3 | Very high | 95 Ų | 95 | 105.1 Ų | 105.1 | 50% | 0.497 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61.9 | -43.5 | 176.9 | -179.3 | 66.4 | 0 | 0 | 0 | 111.8 | K308 K309 T310 A315 K316 | K308-L312 WeakPolarHBondContact O-CB 3.31Å; K308-L312 PolarHBondContact O-N 3.06Å; K309-L312 PolarHBondContact O-N 3.41Å; T310-L312 VanDerWaalsContact C-N 3.35Å; T310-L312 PolarHBondContact O-N 2.96Å; L312-A315 PolarHBondContact O-N 3.44Å; L312-K316 WeakPolarHBondContact O-CB 3.47Å; L312-K316 VanDerWaalsContact O-CG 3.31Å; L312-K316 WeakPolarHBondContact O-CG 3.49Å; L312-K316 PolarHBondContact O-N 3.43Å |
| 313 | L | 91.4 | Very high | 91.6 | Very high | 110 Ų | 110 | 101.6 Ų | 101.6 | 58% | 0.576 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.4 | -45 | 175.8 | -80.7 | 170.1 | 0 | 0 | 0 | 111.5 | K309 T310 V311 A315 K316 L317 | K309-L313 WeakPolarHBondContact O-CG 3.43Å; K309-L313 PolarHBondContact O-N 2.96Å; T310-L313 PolarHBondContact O-N 3.4Å; V311-L313 PolarHBondContact O-N 3.48Å; L313-A315 PolarHBondContact O-N 2.93Å; L313-K316 PolarHBondContact O-N 2.95Å; L313-L317 WeakPolarHBondContact O-CG 3.47Å; L313-L317 PolarHBondContact O-N 2.88Å |
| 314 | H | 93.6 | Very high | 90.9 | Very high | 114 Ų | 114 | 102.2 Ų | 102.2 | 53% | 0.528 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.8 | -44.1 | 178.3 | -169.8 | 56.9 | 0 | 0 | 0 | 111.9 | T310 V311 K316 L317 L318 | T310-H314 PolarHBondContact O-N 2.86Å; V311-H314 PolarHBondContact O-N 3.27Å; H314-K316 VanDerWaalsContact C-N 3.32Å; H314-K316 PolarHBondContact O-N 3.5Å; H314-L317 PolarHBondContact O-N 2.87Å; H314-L318 WeakPolarHBondContact NE2-CD1 3.4Å; H314-L318 WeakPolarHBondContact O-CG 3.33Å; H314-L318 PolarHBondContact O-N 3.24Å |
| 315 | A | 91 | Very high | 90.2 | Very high | 56 Ų | 56 | 107.1 Ų | 107.1 | 46% | 0.463 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -59.7 | -42.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V311 L312 L313 L317 L318 D319 | V311-A315 WeakPolarHBondContact O-CB 3.45Å; V311-A315 PolarHBondContact O-N 2.64Å; L312-A315 PolarHBondContact O-N 3.44Å; L313-A315 PolarHBondContact O-N 2.93Å; A315-L317 VanDerWaalsContact C-N 3.33Å; A315-L317 PolarHBondContact O-N 3.2Å; A315-L318 PolarHBondContact O-N 2.9Å; A315-D319 PolarHBondContact O-N 3.06Å |
| 316 | K | 89.4 | Confident | 89.6 | Confident | 99 Ų | 99 | 106.8 Ų | 106.8 | 43% | 0.43 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.6 | -35.1 | 175.5 | -77 | -176.6 | 173.2 | -148.1 | 0 | 113.5 | L312 L313 H314 D326 | L312-K316 WeakPolarHBondContact O-CB 3.47Å; L312-K316 VanDerWaalsContact O-CG 3.31Å; L312-K316 WeakPolarHBondContact O-CG 3.49Å; L312-K316 PolarHBondContact O-N 3.43Å; L313-K316 PolarHBondContact O-N 2.95Å; H314-K316 VanDerWaalsContact C-N 3.32Å; H314-K316 PolarHBondContact O-N 3.5Å; K316-D326 IonicContact NZ-OD2 2.63Å; K316-D326 PolarHBondContact NZ-OD2 3.42Å |
| 317 | L | 85.9 | Confident | 89.1 | Confident | 144 Ų | 144 | 106.8 Ų | 106.8 | 75% | 0.754 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -74.1 | -31.4 | 178.8 | -73 | 170.3 | 0 | 0 | 0 | 112.5 | L313 H314 A315 | L313-L317 WeakPolarHBondContact O-CG 3.47Å; L313-L317 PolarHBondContact O-N 2.88Å; H314-L317 PolarHBondContact O-N 2.87Å; A315-L317 VanDerWaalsContact C-N 3.33Å; A315-L317 PolarHBondContact O-N 3.2Å |
| 318 | L | 88.4 | Confident | 88.7 | Confident | 120 Ų | 120 | 104.3 Ų | 104.3 | 63% | 0.628 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -84.3 | -14.9 | 177.7 | -66.1 | -179.3 | 0 | 0 | 0 | 113.1 | H314 A315 P320 | H314-L318 WeakPolarHBondContact NE2-CD1 3.4Å; H314-L318 WeakPolarHBondContact O-CG 3.33Å; H314-L318 PolarHBondContact O-N 3.24Å; A315-L318 PolarHBondContact O-N 2.9Å; L318-P320 VanDerWaalsContact O-CD 3.3Å; L318-P320 WeakPolarHBondContact O-CD 3.48Å |
| 319 | D | 87 | Confident | 88.4 | Confident | 82 Ų | 82 | 101.6 Ų | 101.6 | 44% | 0.439 | 55% | 0.55 | S | S | . | * | trans | -76.9 | 115.8 | 174.6 | -167.6 | -7 | 0 | 0 | 0 | 109.7 | A315 H321 | A315-D319 PolarHBondContact O-N 3.06Å; D319-H321 PolarHBondContact O-N 3.27Å; D319-H321 PolarHBondContact OD1-N 3.06Å | ||
| 320 | P | 86.8 | Confident | 88.2 | Confident | 118 Ų | 118 | 96.1 Ų | 96.1 | 77% | 0.766 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -62.6 | -21.8 | 173.8 | -19.9 | 33.7 | 0 | 0 | 0 | 112.3 | L318 | L318-P320 VanDerWaalsContact O-CD 3.3Å; L318-P320 WeakPolarHBondContact O-CD 3.48Å |
| 321 | H | 82.4 | Confident | 88.1 | Confident | 147 Ų | 147 | 94.7 Ų | 94.7 | 68% | 0.681 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -100.1 | 130.8 | -179.8 | -59.2 | -60.6 | 0 | 0 | 0 | 110.6 | D319 | D319-H321 PolarHBondContact O-N 3.27Å; D319-H321 PolarHBondContact OD1-N 3.06Å |
| 322 | S | 78.4 | Confident | 88.1 | Confident | 93 Ų | 93 | 93.6 Ų | 93.6 | 65% | 0.65 | 52% | 0.516 | S | S | * | . | P | Polyproline II helix | trans | -70.3 | 140.4 | 171.3 | -56.6 | 0 | 0 | 0 | 0 | 109.9 | L324 | S322-L324 PolarHBondContact O-N 2.95Š|
| 323 | S | 83.2 | Confident | 88.1 | Confident | 51 Ų | 51 | 93.1 Ų | 93.1 | 36% | 0.357 | 51% | 0.511 | S | S | . | . | P | Polyproline II helix | trans | -49.8 | 130.8 | 172.6 | 164 | 0 | 0 | 0 | 0 | 110.9 | K325 D326 V327 | S323-K325 PolarHBondContact O-N 2.85Å; S323-K325 VanDerWaalsContact O-N 3.11Å; S323-K325 PolarHBondContact OG-N 3.31Å; S323-D326 WeakPolarHBondContact O-CA 3.27Å; S323-D326 WeakPolarHBondContact O-CB 3.43Å; S323-D326 PolarHBondContact O-N 2.98Å; S323-V327 PolarHBondContact O-N 3.47Å |
| 324 | L | 81.3 | Confident | 88.3 | Confident | 146 Ų | 146 | 94.3 Ų | 94.3 | 76% | 0.764 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -53.5 | -35.8 | -179.4 | -177.2 | 63.8 | 0 | 0 | 0 | 112.7 | S322 D326 V327 C328 | S322-L324 PolarHBondContact O-N 2.95Å; L324-D326 VanDerWaalsContact C-N 3.33Å; L324-D326 PolarHBondContact O-N 3.5Å; L324-V327 PolarHBondContact O-N 3.37Å; L324-C328 VanDerWaalsContact O-CB 3.28Å; L324-C328 WeakPolarHBondContact O-CB 3.48Å; L324-C328 PolarHBondContact O-N 3.49Å |
| 325 | K | 83.6 | Confident | 88.5 | Confident | 153 Ų | 153 | 94.3 Ų | 94.3 | 67% | 0.665 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.3 | -40 | 176.5 | -175.2 | 177.8 | 179.6 | 178.4 | 0 | 112 | S323 N329 | S323-K325 PolarHBondContact O-N 2.85Å; S323-K325 VanDerWaalsContact O-N 3.11Å; S323-K325 PolarHBondContact OG-N 3.31Å; K325-N329 VanDerWaalsContact O-CG 3.27Å; K325-N329 PolarHBondContact O-N 3.48Å; K325-N329 PolarHBondContact O-ND2 3.33Å |
| 326 | D | 83.4 | Confident | 88.8 | Confident | 79 Ų | 79 | 98.8 Ų | 98.8 | 42% | 0.422 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -73.5 | -39.3 | -178 | -61.9 | -19.8 | 0 | 0 | 0 | 109.7 | K316 S323 L324 G330 | K316-D326 IonicContact NZ-OD2 2.63Å; K316-D326 PolarHBondContact NZ-OD2 3.42Å; S323-D326 WeakPolarHBondContact O-CA 3.27Å; S323-D326 WeakPolarHBondContact O-CB 3.43Å; S323-D326 PolarHBondContact O-N 2.98Å; L324-D326 VanDerWaalsContact C-N 3.33Å; L324-D326 PolarHBondContact O-N 3.5Å; D326-G330 PolarHBondContact O-N 3.36Å; D326-G330 VanDerWaalsContact O-N 3.13Å |
| 327 | V | 87.6 | Confident | 89.2 | Confident | 52 Ų | 52 | 99 Ų | 99 | 32% | 0.315 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.3 | -44.4 | 175.5 | 178.6 | 0 | 0 | 0 | 0 | 112.2 | S323 L324 N329 G330 N331 | S323-V327 PolarHBondContact O-N 3.47Å; L324-V327 PolarHBondContact O-N 3.37Å; V327-N329 PolarHBondContact O-N 3.43Å; V327-G330 PolarHBondContact O-N 2.86Å; V327-N331 WeakPolarHBondContact O-CB 3.31Å; V327-N331 PolarHBondContact O-N 2.9Å; V327-N331 PolarHBondContact O-OD1 3.49Å |
| 328 | C | 89.3 | Confident | 89.8 | Confident | 65 Ų | 65 | 93.7 Ų | 93.7 | 44% | 0.439 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58.9 | -48.9 | -179.9 | -176.9 | 0 | 0 | 0 | 0 | 111.3 | L324 G330 N331 V332 | L324-C328 VanDerWaalsContact O-CB 3.28Å; L324-C328 WeakPolarHBondContact O-CB 3.48Å; L324-C328 PolarHBondContact O-N 3.49Å; C328-G330 VanDerWaalsContact C-N 3.34Å; C328-G330 PolarHBondContact O-N 2.9Å; C328-N331 PolarHBondContact O-N 2.98Å; C328-V332 WeakPolarHBondContact O-CG2 3.35Å; C328-V332 PolarHBondContact O-N 3.48Å |
| 329 | N | 91.2 | Very high | 90.2 | Very high | 94 Ų | 94 | 92.1 Ų | 92.1 | 50% | 0.503 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.8 | -42 | 177.6 | -66.5 | -20.6 | 0 | 0 | 0 | 111.9 | K325 V327 V332 Q333 | K325-N329 VanDerWaalsContact O-CG 3.27Å; K325-N329 PolarHBondContact O-N 3.48Å; K325-N329 PolarHBondContact O-ND2 3.33Å; V327-N329 PolarHBondContact O-N 3.43Å; N329-V332 PolarHBondContact O-N 2.91Å; N329-Q333 PolarHBondContact O-N 3.4Å; N329-Q333 VanDerWaalsContact O-N 3.14Å |
| 330 | G | 92.6 | Very high | 90.7 | Very high | 26 Ų | 26 | 92.6 Ų | 92.6 | 27% | 0.268 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.8 | -39.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | D326 V327 C328 Q333 R334 | D326-G330 PolarHBondContact O-N 3.36Å; D326-G330 VanDerWaalsContact O-N 3.13Å; V327-G330 PolarHBondContact O-N 2.86Å; C328-G330 VanDerWaalsContact C-N 3.34Å; C328-G330 PolarHBondContact O-N 2.9Å; G330-Q333 PolarHBondContact O-N 2.9Å; G330-R334 WeakPolarHBondContact O-CG 3.4Å; G330-R334 PolarHBondContact O-N 3.4Å |
| 331 | N | 93.7 | Very high | 91.3 | Very high | 58 Ų | 58 | 91.1 Ų | 91.1 | 31% | 0.31 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.5 | -46.9 | 176.2 | -68.5 | -8.2 | 0 | 0 | 0 | 111.2 | V327 C328 Q333 R334 H335 | V327-N331 WeakPolarHBondContact O-CB 3.31Å; V327-N331 PolarHBondContact O-N 2.9Å; V327-N331 PolarHBondContact O-OD1 3.49Å; C328-N331 PolarHBondContact O-N 2.98Å; N331-Q333 VanDerWaalsContact C-N 3.26Å; N331-Q333 PolarHBondContact O-N 3.16Å; N331-R334 PolarHBondContact O-N 3.31Å; N331-R334 VanDerWaalsContact O-N 3.16Å; N331-R334 PolarHBondContact OD1-NH1 3.32Å; N331-R334 PolarHBondContact OD1-NH2 3.34Å; N331-H335 PolarHBondContact O-CD2 3.43Å; N331-H335 PolarHBondContact O-N 3.21Å |
| 332 | V | 95.8 | Very high | 92 | Very high | 63 Ų | 63 | 90.7 Ų | 90.7 | 38% | 0.382 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -56.5 | -43.5 | 177.8 | 171.3 | 0 | 0 | 0 | 0 | 111 | C328 N329 H335 R336 | C328-V332 WeakPolarHBondContact O-CG2 3.35Å; C328-V332 PolarHBondContact O-N 3.48Å; N329-V332 PolarHBondContact O-N 2.91Å; V332-H335 PolarHBondContact O-N 3.32Å; V332-R336 WeakPolarHBondContact O-CG 3.35Å; V332-R336 PolarHBondContact O-N 3.3Å; V332-R336 VanDerWaalsContact O-N 3.11Å |
| 333 | Q | 94.8 | Very high | 92.9 | Very high | 85 Ų | 85 | 91.2 Ų | 91.2 | 40% | 0.397 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -65 | -43.6 | 177.9 | -173.8 | 59.6 | 21.6 | 0 | 0 | 112.2 | N329 G330 N331 H335 R336 E337 | N329-Q333 PolarHBondContact O-N 3.4Å; N329-Q333 VanDerWaalsContact O-N 3.14Å; G330-Q333 PolarHBondContact O-N 2.9Å; N331-Q333 VanDerWaalsContact C-N 3.26Å; N331-Q333 PolarHBondContact O-N 3.16Å; Q333-H335 VanDerWaalsContact C-N 3.32Å; Q333-H335 PolarHBondContact O-N 2.87Å; Q333-R336 WeakPolarHBondContact O-CB 3.26Å; Q333-R336 PolarHBondContact O-N 3.24Å; Q333-E337 WeakPolarHBondContact CG-OE1 3.35Å; Q333-E337 PolarHBondContact NE2-OE1 2.76Å; Q333-E337 WeakPolarHBondContact O-CG 3.07Å; Q333-E337 PolarHBondContact O-N 3.39Å |
| 334 | R | 95.5 | Very high | 93.7 | Very high | 135 Ų | 135 | 94.3 Ų | 94.3 | 51% | 0.509 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.7 | -38.6 | 175.3 | -77 | -173.2 | -104.5 | 101 | 2.3 | 112.7 | G330 N331 E337 A338 | G330-R334 WeakPolarHBondContact O-CG 3.4Å; G330-R334 PolarHBondContact O-N 3.4Å; N331-R334 PolarHBondContact O-N 3.31Å; N331-R334 VanDerWaalsContact O-N 3.16Å; N331-R334 PolarHBondContact OD1-NH1 3.32Å; N331-R334 PolarHBondContact OD1-NH2 3.34Å; R334-E337 PolarHBondContact O-N 2.99Å; R334-A338 WeakPolarHBondContact O-CB 3.45Å; R334-A338 PolarHBondContact O-N 3.11Å |
| 335 | H | 97.3 | Very high | 94.4 | Very high | 115 Ų | 115 | 90 Ų | 90 | 53% | 0.532 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -64.4 | -43.4 | 175.2 | -71.4 | -60.9 | 0 | 0 | 0 | 112.1 | N331 V332 Q333 E337 A338 D339 | N331-H335 PolarHBondContact O-CD2 3.43Å; N331-H335 PolarHBondContact O-N 3.21Å; V332-H335 PolarHBondContact O-N 3.32Å; Q333-H335 VanDerWaalsContact C-N 3.32Å; Q333-H335 PolarHBondContact O-N 2.87Å; H335-E337 VanDerWaalsContact C-N 3.34Å; H335-E337 PolarHBondContact O-N 3.49Å; H335-A338 PolarHBondContact O-N 3.4Å; H335-D339 PolarHBondContact O-N 2.8Å |
| 336 | R | 97.6 | Very high | 95.1 | Very high | 150 Ų | 150 | 89.2 Ų | 89.2 | 57% | 0.566 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -59.3 | -44.6 | 175.2 | -68.7 | 170.5 | 179.1 | -175.9 | -2.6 | 112 | V332 Q333 D339 L340 | V332-R336 WeakPolarHBondContact O-CG 3.35Å; V332-R336 PolarHBondContact O-N 3.3Å; V332-R336 VanDerWaalsContact O-N 3.11Å; Q333-R336 WeakPolarHBondContact O-CB 3.26Å; Q333-R336 PolarHBondContact O-N 3.24Å; R336-D339 PolarHBondContact O-N 2.96Å; R336-L340 WeakPolarHBondContact O-CG 3.32Å; R336-L340 PolarHBondContact O-N 2.89Å |
| 337 | E | 97.8 | Very high | 95.8 | Very high | 102 Ų | 102 | 89.4 Ų | 89.4 | 48% | 0.477 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -65.3 | -41.5 | 178 | -73.1 | 166.2 | -166.9 | 0 | 0 | 111.8 | Q333 R334 H335 D339 L340 Q341 | Q333-E337 WeakPolarHBondContact CG-OE1 3.35Å; Q333-E337 PolarHBondContact NE2-OE1 2.76Å; Q333-E337 WeakPolarHBondContact O-CG 3.07Å; Q333-E337 PolarHBondContact O-N 3.39Å; R334-E337 PolarHBondContact O-N 2.99Å; H335-E337 VanDerWaalsContact C-N 3.34Å; H335-E337 PolarHBondContact O-N 3.49Å; E337-D339 PolarHBondContact O-N 2.74Å; E337-L340 PolarHBondContact O-N 3.32Å; E337-Q341 WeakPolarHBondContact O-CB 3.3Å; E337-Q341 PolarHBondContact O-N 3.02Å |
| 338 | A | 97.9 | Very high | 96.3 | Very high | 34 Ų | 34 | 93.4 Ų | 93.4 | 28% | 0.281 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.3 | -39.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | R334 H335 Q341 R342 | R334-A338 WeakPolarHBondContact O-CB 3.45Å; R334-A338 PolarHBondContact O-N 3.11Å; H335-A338 PolarHBondContact O-N 3.4Å; A338-Q341 PolarHBondContact O-N 2.93Å; A338-R342 WeakPolarHBondContact O-CB 3.45Å; A338-R342 WeakPolarHBondContact O-CG 3.07Å; A338-R342 PolarHBondContact O-N 3.33Å |
| 339 | D | 97.5 | Very high | 96.7 | Very high | 86 Ų | 86 | 95.8 Ų | 95.8 | 46% | 0.46 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63.8 | -45.2 | 174.6 | -76.1 | -33.8 | 0 | 0 | 0 | 111.9 | H335 R336 E337 Q341 R342 M343 | H335-D339 PolarHBondContact O-N 2.8Å; R336-D339 PolarHBondContact O-N 2.96Å; E337-D339 PolarHBondContact O-N 2.74Å; D339-Q341 VanDerWaalsContact C-N 3.28Å; D339-Q341 PolarHBondContact O-N 3.19Å; D339-R342 PolarHBondContact O-N 3.16Å; D339-R342 IonicContact OD1-CZ 3.35Å; D339-R342 IonicContact OD1-NE 3.98Å; D339-R342 PolarHBondContact OD1-NE 2.86Å; D339-R342 IonicContact OD1-NH2 3.4Å; D339-R342 PolarHBondContact OD1-NH2 3.01Å; D339-M343 WeakPolarHBondContact O-CB 3.46Å; D339-M343 PolarHBondContact O-N 2.77Å |
| 340 | L | 98.1 | Very high | 97.1 | Very high | 93 Ų | 93 | 94 Ų | 94 | 49% | 0.487 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60.5 | -40.2 | 175.4 | -72.5 | 172.4 | 0 | 0 | 0 | 111.6 | R336 E337 M343 K344 | R336-L340 WeakPolarHBondContact O-CG 3.32Å; R336-L340 PolarHBondContact O-N 2.89Å; E337-L340 PolarHBondContact O-N 3.32Å; L340-M343 HydrophobicContact CD2-CE 4.13Å; L340-M343 PolarHBondContact O-N 3.44Å; L340-K344 WeakPolarHBondContact O-CG 3.33Å; L340-K344 PolarHBondContact O-N 3.41Å; L340-K344 VanDerWaalsContact O-N 3.12Å |
| 341 | Q | 97.6 | Very high | 97.3 | Very high | 86 Ų | 86 | 99.3 Ų | 99.3 | 40% | 0.402 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -67.5 | -47.7 | 178 | -171.2 | 57.5 | 31 | 0 | 0 | 111.4 | E337 A338 D339 M343 K344 D345 | E337-Q341 WeakPolarHBondContact O-CB 3.3Å; E337-Q341 PolarHBondContact O-N 3.02Å; A338-Q341 PolarHBondContact O-N 2.93Å; D339-Q341 VanDerWaalsContact C-N 3.28Å; D339-Q341 PolarHBondContact O-N 3.19Å; Q341-M343 PolarHBondContact O-N 2.82Å; Q341-K344 WeakPolarHBondContact O-CB 3.46Å; Q341-K344 PolarHBondContact O-N 2.9Å; Q341-D345 PolarHBondContact NE2-OD1 2.73Å; Q341-D345 PolarHBondContact NE2-OD2 3.06Å; Q341-D345 PolarHBondContact O-N 2.76Å |
| 342 | R | 98.3 | Very high | 97.5 | Very high | 139 Ų | 139 | 100.3 Ų | 100.3 | 53% | 0.525 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -53.1 | -43.5 | 173.4 | -82.3 | -171.4 | -76.8 | -91.5 | 6.3 | 112.1 | A338 D339 D345 Y346 | A338-R342 WeakPolarHBondContact O-CB 3.45Å; A338-R342 WeakPolarHBondContact O-CG 3.07Å; A338-R342 PolarHBondContact O-N 3.33Å; D339-R342 PolarHBondContact O-N 3.16Å; D339-R342 IonicContact OD1-CZ 3.35Å; D339-R342 IonicContact OD1-NE 3.98Å; D339-R342 PolarHBondContact OD1-NE 2.86Å; D339-R342 IonicContact OD1-NH2 3.4Å; D339-R342 PolarHBondContact OD1-NH2 3.01Å; R342-D345 PolarHBondContact O-N 2.75Å; R342-Y346 VanDerWaalsContact O-CB 3.3Å; R342-Y346 WeakPolarHBondContact O-CB 3.31Å; R342-Y346 PolarHBondContact O-N 2.95Å |
| 343 | M | 97.8 | Very high | 97.5 | Very high | 104 Ų | 104 | 101 Ų | 101 | 51% | 0.512 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -65.3 | -39.6 | 178.9 | -174.1 | 171.9 | 64.4 | 0 | 0 | 112.2 | D339 L340 Q341 M347 | D339-M343 WeakPolarHBondContact O-CB 3.46Å; D339-M343 PolarHBondContact O-N 2.77Å; L340-M343 HydrophobicContact CD2-CE 4.13Å; L340-M343 PolarHBondContact O-N 3.44Å; Q341-M343 PolarHBondContact O-N 2.82Å; M343-M347 WeakPolarHBondContact O-CG 3.49Å; M343-M347 PolarHBondContact O-N 3.19Å |
| 344 | K | 98.1 | Very high | 97.6 | Very high | 115 Ų | 115 | 103 Ų | 103 | 50% | 0.5 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.5 | -42.2 | 175.8 | -72.4 | 172.2 | -175.4 | 175.7 | 0 | 112 | L340 Q341 M347 R348 | L340-K344 WeakPolarHBondContact O-CG 3.33Å; L340-K344 PolarHBondContact O-N 3.41Å; L340-K344 VanDerWaalsContact O-N 3.12Å; Q341-K344 WeakPolarHBondContact O-CB 3.46Å; Q341-K344 PolarHBondContact O-N 2.9Å; K344-M347 PolarHBondContact O-N 3.36Å; K344-R348 PolarHBondContact O-N 3.36Å |
| 345 | D | 97.8 | Very high | 97.6 | Very high | 55 Ų | 55 | 98.4 Ų | 98.4 | 29% | 0.294 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -68.6 | -44.8 | -179.7 | -64 | -25.4 | 0 | 0 | 0 | 110.2 | Q341 R342 M347 R348 E349 | Q341-D345 PolarHBondContact NE2-OD1 2.73Å; Q341-D345 PolarHBondContact NE2-OD2 3.06Å; Q341-D345 PolarHBondContact O-N 2.76Å; R342-D345 PolarHBondContact O-N 2.75Å; D345-M347 VanDerWaalsContact C-N 3.34Å; D345-M347 PolarHBondContact O-N 3.05Å; D345-R348 WeakPolarHBondContact O-CA 3.31Å; D345-R348 WeakPolarHBondContact O-CB 3.16Å; D345-R348 PolarHBondContact O-N 3.06Å; D345-R348 IonicContact OD1-NH2 3.4Å; D345-E349 PolarHBondContact O-N 2.82Å |
| 346 | Y | 98.1 | Very high | 97.5 | Very high | 138 Ų | 138 | 100 Ų | 100 | 54% | 0.541 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -55.3 | -46 | 171.5 | 175.9 | -111.6 | 0 | 0 | 0 | 112.6 | R342 R348 E349 L350 | R342-Y346 VanDerWaalsContact O-CB 3.3Å; R342-Y346 WeakPolarHBondContact O-CB 3.31Å; R342-Y346 PolarHBondContact O-N 2.95Å; Y346-R348 VanDerWaalsContact C-N 3.28Å; Y346-R348 PolarHBondContact O-N 3.08Å; Y346-E349 PolarHBondContact O-N 2.86Å; Y346-L350 HydrophobicContact CD1-CD1 4.1Å; Y346-L350 HydrophobicContact CE1-CD1 3.5Å; Y346-L350 VanDerWaalsContact CE1-CD1 3.5Å; Y346-L350 HydrophobicContact CE1-CG 4.16Å; Y346-L350 HydrophobicContact CE2-CD1 4.32Å; Y346-L350 HydrophobicContact CE2-CD2 4.32Å; Y346-L350 HydrophobicContact CE2-CG 4.13Å; Y346-L350 WeakPolarHBondContact O-CG 3.27Å; Y346-L350 PolarHBondContact O-N 2.81Å |
| 347 | M | 98.3 | Very high | 97.3 | Very high | 82 Ų | 82 | 98.1 Ų | 98.1 | 40% | 0.404 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.2 | -33.3 | 176 | -75.7 | -164.2 | -55.5 | 0 | 0 | 113 | M343 K344 D345 R351 | M343-M347 WeakPolarHBondContact O-CG 3.49Å; M343-M347 PolarHBondContact O-N 3.19Å; K344-M347 PolarHBondContact O-N 3.36Å; D345-M347 VanDerWaalsContact C-N 3.34Å; D345-M347 PolarHBondContact O-N 3.05Å; M347-R351 WeakPolarHBondContact O-CG 3.49Å; M347-R351 PolarHBondContact O-N 3.21Å; M347-R351 VanDerWaalsContact O-N 3.13Å |
| 348 | R | 98.1 | Very high | 96.9 | Very high | 136 Ų | 136 | 102.9 Ų | 102.9 | 51% | 0.513 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -67.4 | -48.6 | 175.9 | -169.9 | -173.1 | -53 | -174.9 | 6.2 | 110.2 | K344 D345 Y346 L350 R351 D352 | K344-R348 PolarHBondContact O-N 3.36Å; D345-R348 WeakPolarHBondContact O-CA 3.31Å; D345-R348 WeakPolarHBondContact O-CB 3.16Å; D345-R348 PolarHBondContact O-N 3.06Å; D345-R348 IonicContact OD1-NH2 3.4Å; Y346-R348 VanDerWaalsContact C-N 3.28Å; Y346-R348 PolarHBondContact O-N 3.08Å; R348-L350 VanDerWaalsContact C-N 3.3Å; R348-L350 PolarHBondContact O-N 3.39Å; R348-R351 WeakPolarHBondContact O-CA 3.42Å; R348-R351 WeakPolarHBondContact O-CB 3.48Å; R348-R351 PolarHBondContact O-N 2.73Å; R348-D352 PolarHBondContact O-N 2.73Å |
| 349 | E | 97.9 | Very high | 96.6 | Very high | 116 Ų | 116 | 108.6 Ų | 108.6 | 54% | 0.542 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -58.5 | -41.4 | 176.1 | -71 | 178.9 | -178.8 | 0 | 0 | 112.3 | D345 Y346 R351 D352 M353 | D345-E349 PolarHBondContact O-N 2.82Å; Y346-E349 PolarHBondContact O-N 2.86Å; E349-R351 VanDerWaalsContact C-N 3.31Å; E349-R351 PolarHBondContact O-N 3.38Å; E349-D352 PolarHBondContact O-N 3.49Å; E349-M353 HydrophobicContact CB-CE 4.47Å; E349-M353 WeakPolarHBondContact O-CB 3.17Å; E349-M353 WeakPolarHBondContact O-CG 3.34Å; E349-M353 PolarHBondContact O-N 2.84Å |
| 350 | L | 97.9 | Very high | 96.3 | Very high | 56 Ų | 56 | 113.6 Ų | 113.6 | 29% | 0.293 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.1 | -39.8 | 173.2 | -77.1 | -177.1 | 0 | 0 | 0 | 112.5 | Y346 R348 M353 K354 | Y346-L350 HydrophobicContact CD1-CD1 4.1Å; Y346-L350 HydrophobicContact CE1-CD1 3.5Å; Y346-L350 VanDerWaalsContact CE1-CD1 3.5Å; Y346-L350 HydrophobicContact CE1-CG 4.16Å; Y346-L350 HydrophobicContact CE2-CD1 4.32Å; Y346-L350 HydrophobicContact CE2-CD2 4.32Å; Y346-L350 HydrophobicContact CE2-CG 4.13Å; Y346-L350 WeakPolarHBondContact O-CG 3.27Å; Y346-L350 PolarHBondContact O-N 2.81Å; R348-L350 VanDerWaalsContact C-N 3.3Å; R348-L350 PolarHBondContact O-N 3.39Å; L350-M353 HydrophobicContact CD2-CE 3.78Å; L350-M353 HydrophobicContact CG-CE 4.49Å; L350-K354 WeakPolarHBondContact O-CB 3.34Å; L350-K354 VanDerWaalsContact O-CG 3.26Å; L350-K354 WeakPolarHBondContact O-CG 3.36Å; L350-K354 PolarHBondContact O-N 2.71Å |
| 351 | R | 97.7 | Very high | 96.1 | Very high | 138 Ų | 138 | 111.4 Ų | 111.4 | 52% | 0.521 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.8 | -44 | 176.1 | -74.8 | -176.7 | -121.8 | 111.3 | -0.6 | 111 | M347 R348 E349 K354 A355 | M347-R351 WeakPolarHBondContact O-CG 3.49Å; M347-R351 PolarHBondContact O-N 3.21Å; M347-R351 VanDerWaalsContact O-N 3.13Å; R348-R351 WeakPolarHBondContact O-CA 3.42Å; R348-R351 WeakPolarHBondContact O-CB 3.48Å; R348-R351 PolarHBondContact O-N 2.73Å; E349-R351 VanDerWaalsContact C-N 3.31Å; E349-R351 PolarHBondContact O-N 3.38Å; R351-K354 PolarHBondContact O-N 3.49Å; R351-A355 WeakPolarHBondContact O-CB 3.49Å; R351-A355 PolarHBondContact O-N 2.73Å |
| 352 | D | 97.4 | Very high | 95.8 | Very high | 79 Ų | 79 | 114 Ų | 114 | 42% | 0.422 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.9 | -41.1 | 179.7 | -64.9 | -8.2 | 0 | 0 | 0 | 111.1 | R348 E349 K354 A355 R356 | R348-D352 PolarHBondContact O-N 2.73Å; E349-D352 PolarHBondContact O-N 3.49Å; D352-K354 PolarHBondContact O-N 2.87Å; D352-A355 PolarHBondContact O-N 3.3Å; D352-R356 WeakPolarHBondContact O-CG 3.2Å; D352-R356 PolarHBondContact O-N 3.15Å |
| 353 | M | 96.4 | Very high | 95.7 | Very high | 78 Ų | 78 | 113.5 Ų | 113.5 | 38% | 0.384 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58.9 | -46.6 | 172.2 | -80.5 | -171 | -72.5 | 0 | 0 | 111.3 | E349 L350 A355 R356 V357 | E349-M353 HydrophobicContact CB-CE 4.47Å; E349-M353 WeakPolarHBondContact O-CB 3.17Å; E349-M353 WeakPolarHBondContact O-CG 3.34Å; E349-M353 PolarHBondContact O-N 2.84Å; L350-M353 HydrophobicContact CD2-CE 3.78Å; L350-M353 HydrophobicContact CG-CE 4.49Å; M353-A355 VanDerWaalsContact C-N 3.33Å; M353-A355 PolarHBondContact O-N 2.96Å; M353-R356 PolarHBondContact O-N 2.88Å; M353-V357 VanDerWaalsContact O-CG2 3.29Å; M353-V357 WeakPolarHBondContact O-CG2 3.2Å; M353-V357 PolarHBondContact O-N 3.35Å |
| 354 | K | 96.1 | Very high | 95.6 | Very high | 126 Ų | 126 | 115.1 Ų | 115.1 | 55% | 0.548 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.3 | -38.9 | 176.5 | -75 | 175.4 | -179 | -178.4 | 0 | 112 | L350 R351 D352 V357 R358 | L350-K354 WeakPolarHBondContact O-CB 3.34Å; L350-K354 VanDerWaalsContact O-CG 3.26Å; L350-K354 WeakPolarHBondContact O-CG 3.36Å; L350-K354 PolarHBondContact O-N 2.71Å; R351-K354 PolarHBondContact O-N 3.49Å; D352-K354 PolarHBondContact O-N 2.87Å; K354-V357 PolarHBondContact O-N 2.73Å; K354-R358 WeakPolarHBondContact O-CB 3.43Å; K354-R358 WeakPolarHBondContact O-CD 3.38Å; K354-R358 WeakPolarHBondContact O-CG 3.41Å; K354-R358 PolarHBondContact O-N 2.78Å |
| 355 | A | 95.6 | Very high | 95.4 | Very high | 38 Ų | 38 | 113.3 Ų | 113.3 | 31% | 0.314 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.4 | -49.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111 | R351 D352 M353 V357 R358 E359 | R351-A355 WeakPolarHBondContact O-CB 3.49Å; R351-A355 PolarHBondContact O-N 2.73Å; D352-A355 PolarHBondContact O-N 3.3Å; M353-A355 VanDerWaalsContact C-N 3.33Å; M353-A355 PolarHBondContact O-N 2.96Å; A355-V357 VanDerWaalsContact C-N 3.3Å; A355-V357 PolarHBondContact O-N 3.38Å; A355-R358 PolarHBondContact O-N 2.84Å; A355-E359 WeakPolarHBondContact O-CG 3.49Å; A355-E359 PolarHBondContact O-N 2.91Å |
| 356 | R | 94.8 | Very high | 95.2 | Very high | 150 Ų | 150 | 114 Ų | 114 | 57% | 0.566 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -57.8 | -40.8 | 176.8 | -71 | -167.4 | -57.9 | -91.6 | 13.4 | 113 | D352 M353 R360 | D352-R356 WeakPolarHBondContact O-CG 3.2Å; D352-R356 PolarHBondContact O-N 3.15Å; M353-R356 PolarHBondContact O-N 2.88Å; R356-R360 PolarHBondContact O-N 3.43Å |
| 357 | V | 93.6 | Very high | 95.2 | Very high | 110 Ų | 110 | 110.7 Ų | 110.7 | 67% | 0.667 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -68.7 | -36.1 | 177.3 | 173 | 0 | 0 | 0 | 0 | 111.3 | M353 K354 A355 | M353-V357 VanDerWaalsContact O-CG2 3.29Å; M353-V357 WeakPolarHBondContact O-CG2 3.2Å; M353-V357 PolarHBondContact O-N 3.35Å; K354-V357 PolarHBondContact O-N 2.73Å; A355-V357 VanDerWaalsContact C-N 3.3Å; A355-V357 PolarHBondContact O-N 3.38Å |
| 358 | R | 90.8 | Very high | 95.1 | Very high | 201 Ų | 201 | 114.4 Ų | 114.4 | 76% | 0.758 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -74 | -37.3 | 178 | -74.1 | 170.5 | -179.7 | -172.2 | -1.7 | 113.5 | K354 A355 R360 | K354-R358 WeakPolarHBondContact O-CB 3.43Å; K354-R358 WeakPolarHBondContact O-CD 3.38Å; K354-R358 WeakPolarHBondContact O-CG 3.41Å; K354-R358 PolarHBondContact O-N 2.78Å; A355-R358 PolarHBondContact O-N 2.84Å; R358-R360 VanDerWaalsContact C-N 3.31Å |
| 359 | E | 91.3 | Very high | 95 | Very high | 154 Ų | 154 | 113.6 Ų | 113.6 | 72% | 0.72 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -73.4 | -23.4 | -179.6 | -74.3 | 177.8 | -177.4 | 0 | 0 | 112.8 | A355 P361 | A355-E359 WeakPolarHBondContact O-CG 3.49Å; A355-E359 PolarHBondContact O-N 2.91Å; E359-P361 VanDerWaalsContact O-CD 3.25Å; E359-P361 WeakPolarHBondContact O-CD 3.49Å |
| 360 | R | 91.6 | Very high | 94.9 | Very high | 191 Ų | 191 | 115 Ų | 115 | 72% | 0.721 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -69.1 | 113.8 | -179.3 | -170.8 | 171.3 | -177 | 170.1 | 0.5 | 109.7 | R356 R358 | R356-R360 PolarHBondContact O-N 3.43Å; R358-R360 VanDerWaalsContact C-N 3.31Å |
| 361 | P | 92.4 | Very high | 94.9 | Very high | 48 Ų | 48 | 116.7 Ų | 116.7 | 31% | 0.312 | 54% | 0.535 | S | S | . | . | trans | -66.9 | 140.1 | -177.8 | 26.7 | -33.1 | 0 | 0 | 0 | 110.1 | E359 E365 Q366 | E359-P361 VanDerWaalsContact O-CD 3.25Å; E359-P361 WeakPolarHBondContact O-CD 3.49Å; P361-E365 WeakPolarHBondContact CA-OE2 3.39Å; P361-E365 HydrophobicContact CB-CB 4.37Å; P361-Q366 HydrophobicContact CB-CG 4.07Å; P361-Q366 HydrophobicContact CG-CG 3.86Å; P361-Q366 PolarHBondContact O-NE2 3.49Å | ||
| 362 | Y | 92.6 | Very high | 94.8 | Very high | 139 Ų | 139 | 112.8 Ų | 112.8 | 55% | 0.545 | 53% | 0.532 | S | S | . | . | trans | -66.3 | 157.5 | 179.3 | -59.8 | -74.4 | 0 | 0 | 0 | 111.1 | F364 E365 Q366 | Y362-F364 VanDerWaalsContact C-N 3.25Å; Y362-F364 HydrophobicContact CD1-CE1 4.32Å; Y362-F364 AromaticContact CD2-CE1 3.91Å; Y362-F364 HydrophobicContact CD2-CE1 3.91Å; Y362-F364 AromaticContact CD2-CZ 3.62Å; Y362-F364 HydrophobicContact CD2-CZ 3.62Å; Y362-F364 HydrophobicContact CG-CD1 4.42Å; Y362-F364 AromaticContact CG-CE1 3.57Å; Y362-F364 HydrophobicContact CG-CE1 3.57Å; Y362-F364 AromaticContact CG-CZ 3.79Å; Y362-F364 HydrophobicContact CG-CZ 3.79Å; Y362-F364 PolarHBondContact O-N 3.43Å; Y362-E365 HydrophobicContact CD2-CG 4.33Å; Y362-E365 PolarHBondContact N-OE2 3.44Å; Y362-E365 VanDerWaalsContact N-OE2 3.15Å; Y362-E365 WeakPolarHBondContact O-CA 3.26Å; Y362-E365 WeakPolarHBondContact O-CB 3.1Å; Y362-E365 PolarHBondContact O-N 3.1Å; Y362-Q366 WeakPolarHBondContact O-CG 3.11Å; Y362-Q366 PolarHBondContact O-N 3.01Å | ||
| 363 | L | 94.9 | Very high | 94.8 | Very high | 130 Ų | 130 | 115.6 Ų | 115.6 | 68% | 0.681 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -57 | -40.2 | -178.4 | -172.1 | 66.1 | 0 | 0 | 0 | 112.3 | E365 Q366 V367 | L363-E365 VanDerWaalsContact C-N 3.35Å; L363-E365 PolarHBondContact O-N 3.41Å; L363-Q366 PolarHBondContact O-N 2.98Å; L363-V367 VanDerWaalsContact O-CG2 3.29Å; L363-V367 WeakPolarHBondContact O-CG2 3.35Å; L363-V367 PolarHBondContact O-N 3.42Å |
| 364 | F | 95.3 | Very high | 94.8 | Very high | 138 Ų | 138 | 114.8 Ų | 114.8 | 61% | 0.605 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -67.4 | -33.9 | 176.7 | 65 | -94.9 | 0 | 0 | 0 | 112.6 | Y362 K368 | Y362-F364 VanDerWaalsContact C-N 3.25Å; Y362-F364 HydrophobicContact CD1-CE1 4.32Å; Y362-F364 AromaticContact CD2-CE1 3.91Å; Y362-F364 HydrophobicContact CD2-CE1 3.91Å; Y362-F364 AromaticContact CD2-CZ 3.62Å; Y362-F364 HydrophobicContact CD2-CZ 3.62Å; Y362-F364 HydrophobicContact CG-CD1 4.42Å; Y362-F364 AromaticContact CG-CE1 3.57Å; Y362-F364 HydrophobicContact CG-CE1 3.57Å; Y362-F364 AromaticContact CG-CZ 3.79Å; Y362-F364 HydrophobicContact CG-CZ 3.79Å; Y362-F364 PolarHBondContact O-N 3.43Å; F364-K368 VanDerWaalsContact O-CB 3.28Å; F364-K368 WeakPolarHBondContact O-CB 3.41Å; F364-K368 PolarHBondContact O-N 2.86Å |
| 365 | E | 94.5 | Very high | 94.9 | Very high | 76 Ų | 76 | 117.5 Ų | 117.5 | 36% | 0.355 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -68.3 | -43.5 | 173.9 | -64.8 | 179.8 | 159.3 | 0 | 0 | 110.7 | P361 Y362 L363 V367 K368 Q369 | P361-E365 WeakPolarHBondContact CA-OE2 3.39Å; P361-E365 HydrophobicContact CB-CB 4.37Å; Y362-E365 HydrophobicContact CD2-CG 4.33Å; Y362-E365 PolarHBondContact N-OE2 3.44Å; Y362-E365 VanDerWaalsContact N-OE2 3.15Å; Y362-E365 WeakPolarHBondContact O-CA 3.26Å; Y362-E365 WeakPolarHBondContact O-CB 3.1Å; Y362-E365 PolarHBondContact O-N 3.1Å; L363-E365 VanDerWaalsContact C-N 3.35Å; L363-E365 PolarHBondContact O-N 3.41Å; E365-V367 PolarHBondContact O-N 3.35Å; E365-K368 PolarHBondContact O-N 2.96Å; E365-Q369 WeakPolarHBondContact O-CB 3.4Å; E365-Q369 VanDerWaalsContact O-CG 3.29Å; E365-Q369 WeakPolarHBondContact O-CG 3.29Å; E365-Q369 PolarHBondContact O-N 2.78Å |
| 366 | Q | 94.9 | Very high | 94.9 | Very high | 69 Ų | 69 | 118.7 Ų | 118.7 | 32% | 0.322 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -60.3 | -45.1 | 175.4 | -66.1 | 177.6 | 17.6 | 0 | 0 | 111.4 | P361 Y362 L363 K368 Q369 K370 | P361-Q366 HydrophobicContact CB-CG 4.07Å; P361-Q366 HydrophobicContact CG-CG 3.86Å; P361-Q366 PolarHBondContact O-NE2 3.49Å; Y362-Q366 WeakPolarHBondContact O-CG 3.11Å; Y362-Q366 PolarHBondContact O-N 3.01Å; L363-Q366 PolarHBondContact O-N 2.98Å; Q366-K368 VanDerWaalsContact C-N 3.35Å; Q366-Q369 PolarHBondContact O-N 3.4Å; Q366-K370 WeakPolarHBondContact O-CG 3.19Å; Q366-K370 PolarHBondContact O-N 3.09Å |
| 367 | V | 97.3 | Very high | 94.9 | Very high | 69 Ų | 69 | 114.7 Ų | 114.7 | 42% | 0.418 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.1 | -42.2 | 175.8 | 171 | 0 | 0 | 0 | 0 | 110.6 | L363 E365 K370 N371 | L363-V367 VanDerWaalsContact O-CG2 3.29Å; L363-V367 WeakPolarHBondContact O-CG2 3.35Å; L363-V367 PolarHBondContact O-N 3.42Å; E365-V367 PolarHBondContact O-N 3.35Å; V367-K370 PolarHBondContact O-N 2.89Å; V367-N371 VanDerWaalsContact O-CB 3.32Å; V367-N371 WeakPolarHBondContact O-CB 3.32Å; V367-N371 PolarHBondContact O-N 3.09Å; V367-N371 PolarHBondContact O-ND2 3.06Å |
| 368 | K | 96.6 | Very high | 95 | Very high | 160 Ų | 160 | 113.7 Ų | 113.7 | 70% | 0.696 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.7 | -42.7 | 175.8 | -171.6 | 179.1 | -179.7 | -177.6 | 0 | 112 | F364 E365 Q366 N371 A372 | F364-K368 VanDerWaalsContact O-CB 3.28Å; F364-K368 WeakPolarHBondContact O-CB 3.41Å; F364-K368 PolarHBondContact O-N 2.86Å; E365-K368 PolarHBondContact O-N 2.96Å; Q366-K368 VanDerWaalsContact C-N 3.35Å; K368-N371 PolarHBondContact O-N 3.21Å; K368-A372 VanDerWaalsContact O-CB 3.28Å; K368-A372 WeakPolarHBondContact O-CB 3.09Å; K368-A372 PolarHBondContact O-N 2.78Å |
| 369 | Q | 95.8 | Very high | 95.3 | Very high | 119 Ų | 119 | 106.9 Ų | 106.9 | 56% | 0.556 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.3 | -47.6 | 175.5 | -74.5 | 174.1 | 3.4 | 0 | 0 | 111.4 | E365 Q366 A372 K373 | E365-Q369 WeakPolarHBondContact O-CB 3.4Å; E365-Q369 VanDerWaalsContact O-CG 3.29Å; E365-Q369 WeakPolarHBondContact O-CG 3.29Å; E365-Q369 PolarHBondContact O-N 2.78Å; Q366-Q369 PolarHBondContact O-N 3.4Å; Q369-A372 PolarHBondContact O-N 3.34Å; Q369-K373 WeakPolarHBondContact O-CB 3.43Å; Q369-K373 PolarHBondContact O-N 3.48Å |
| 370 | K | 96.6 | Very high | 95.4 | Very high | 145 Ų | 145 | 103.8 Ų | 103.8 | 63% | 0.63 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59.7 | -48.5 | 175.4 | -75 | -175.6 | 177.2 | -177.3 | 0 | 111.5 | Q366 V367 A372 K373 T374 | Q366-K370 WeakPolarHBondContact O-CG 3.19Å; Q366-K370 PolarHBondContact O-N 3.09Å; V367-K370 PolarHBondContact O-N 2.89Å; K370-A372 VanDerWaalsContact C-N 3.32Å; K370-A372 PolarHBondContact O-N 3.4Å; K370-K373 WeakPolarHBondContact O-CB 3.37Å; K370-K373 PolarHBondContact O-N 2.89Å; K370-T374 PolarHBondContact O-N 2.96Å; K370-T374 PolarHBondContact O-OG1 3.09Å; K370-T374 VanDerWaalsContact O-OG1 3.05Å |
| 371 | N | 96.6 | Very high | 95.5 | Very high | 92 Ų | 92 | 99.7 Ų | 99.7 | 49% | 0.492 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.5 | -39.8 | 178.1 | -72.2 | -14.5 | 0 | 0 | 0 | 112.2 | V367 K368 R375 | V367-N371 VanDerWaalsContact O-CB 3.32Å; V367-N371 WeakPolarHBondContact O-CB 3.32Å; V367-N371 PolarHBondContact O-N 3.09Å; V367-N371 PolarHBondContact O-ND2 3.06Å; K368-N371 PolarHBondContact O-N 3.21Å; N371-R375 WeakPolarHBondContact O-CB 3.31Å; N371-R375 VanDerWaalsContact O-CG 3.32Å; N371-R375 WeakPolarHBondContact O-CG 3.43Å; N371-R375 PolarHBondContact O-N 2.96Å |
| 372 | A | 96.6 | Very high | 95.5 | Very high | 56 Ų | 56 | 103.2 Ų | 103.2 | 46% | 0.463 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.3 | -44.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | K368 Q369 K370 R375 A376 | K368-A372 VanDerWaalsContact O-CB 3.28Å; K368-A372 WeakPolarHBondContact O-CB 3.09Å; K368-A372 PolarHBondContact O-N 2.78Å; Q369-A372 PolarHBondContact O-N 3.34Å; K370-A372 VanDerWaalsContact C-N 3.32Å; K370-A372 PolarHBondContact O-N 3.4Å; A372-R375 PolarHBondContact O-N 2.91Å; A372-A376 WeakPolarHBondContact O-CB 3.4Å; A372-A376 PolarHBondContact O-N 3.16Å |
| 373 | K | 97.1 | Very high | 95.7 | Very high | 138 Ų | 138 | 103.2 Ų | 103.2 | 60% | 0.6 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -59.1 | -51.4 | 175.2 | -170.5 | -176.4 | -178.9 | -171.1 | 0 | 111.1 | Q369 K370 R375 A376 E377 | Q369-K373 WeakPolarHBondContact O-CB 3.43Å; Q369-K373 PolarHBondContact O-N 3.48Å; K370-K373 WeakPolarHBondContact O-CB 3.37Å; K370-K373 PolarHBondContact O-N 2.89Å; K373-R375 VanDerWaalsContact C-N 3.32Å; K373-R375 PolarHBondContact O-N 3.38Å; K373-A376 WeakPolarHBondContact O-CB 3.28Å; K373-A376 PolarHBondContact O-N 3.47Å; K373-A376 VanDerWaalsContact O-N 3.1Å; K373-E377 WeakPolarHBondContact CE-OE1 3.44Å; K373-E377 WeakPolarHBondContact CG-OE1 3.41Å; K373-E377 IonicContact NZ-OE1 3.22Å; K373-E377 WeakPolarHBondContact O-CG 3.49Å; K373-E377 PolarHBondContact O-N 3.35Å |
| 374 | T | 96.7 | Very high | 95.6 | Very high | 62 Ų | 62 | 98 Ų | 98 | 38% | 0.38 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61 | -39 | 177.8 | -53.2 | 0 | 0 | 0 | 0 | 112 | K370 E377 Q378 | K370-T374 PolarHBondContact O-N 2.96Å; K370-T374 PolarHBondContact O-OG1 3.09Å; K370-T374 VanDerWaalsContact O-OG1 3.05Å; T374-E377 PolarHBondContact O-N 3.06Å; T374-Q378 WeakPolarHBondContact O-CB 3.25Å; T374-Q378 VanDerWaalsContact O-CG 3.23Å; T374-Q378 WeakPolarHBondContact O-CG 3.46Å; T374-Q378 PolarHBondContact O-N 3.41Å |
| 375 | R | 96.9 | Very high | 95.4 | Very high | 183 Ų | 183 | 98 Ų | 98 | 69% | 0.691 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -64.9 | -40.4 | 174.1 | -79.2 | -178.3 | 179 | -172.2 | 0.6 | 112.5 | N371 A372 K373 T379 | N371-R375 WeakPolarHBondContact O-CB 3.31Å; N371-R375 VanDerWaalsContact O-CG 3.32Å; N371-R375 WeakPolarHBondContact O-CG 3.43Å; N371-R375 PolarHBondContact O-N 2.96Å; A372-R375 PolarHBondContact O-N 2.91Å; K373-R375 VanDerWaalsContact C-N 3.32Å; K373-R375 PolarHBondContact O-N 3.38Å; R375-T379 WeakPolarHBondContact O-CB 3.44Å; R375-T379 PolarHBondContact O-N 3.35Å; R375-T379 PolarHBondContact O-OG1 3.42Å |
| 376 | A | 96.5 | Very high | 95.3 | Very high | 62 Ų | 62 | 103.2 Ų | 103.2 | 51% | 0.512 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.2 | -47.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | A372 K373 Q378 T379 F380 | A372-A376 WeakPolarHBondContact O-CB 3.4Å; A372-A376 PolarHBondContact O-N 3.16Å; K373-A376 WeakPolarHBondContact O-CB 3.28Å; K373-A376 PolarHBondContact O-N 3.47Å; K373-A376 VanDerWaalsContact O-N 3.1Å; A376-Q378 PolarHBondContact O-N 2.98Å; A376-T379 WeakPolarHBondContact O-CB 3.17Å; A376-T379 PolarHBondContact O-N 2.76Å; A376-T379 VanDerWaalsContact O-N 3.12Å; A376-F380 WeakPolarHBondContact O-CB 3.4Å; A376-F380 PolarHBondContact O-N 3.4Å |
| 377 | E | 94.9 | Very high | 95.2 | Very high | 67 Ų | 67 | 104.2 Ų | 104.2 | 31% | 0.313 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.1 | -46.7 | 175 | -72.1 | 169.1 | -177.3 | 0 | 0 | 111.8 | K373 T374 T379 F380 R381 | K373-E377 WeakPolarHBondContact CE-OE1 3.44Å; K373-E377 WeakPolarHBondContact CG-OE1 3.41Å; K373-E377 IonicContact NZ-OE1 3.22Å; K373-E377 WeakPolarHBondContact O-CG 3.49Å; K373-E377 PolarHBondContact O-N 3.35Å; T374-E377 PolarHBondContact O-N 3.06Å; E377-T379 VanDerWaalsContact C-N 3.28Å; E377-T379 PolarHBondContact O-N 3.48Å; E377-F380 WeakPolarHBondContact O-CB 3.3Å; E377-F380 PolarHBondContact O-N 2.89Å; E377-R381 WeakPolarHBondContact O-CG 3.49Å; E377-R381 PolarHBondContact O-N 3.34Å |
| 378 | Q | 95.3 | Very high | 94.8 | Very high | 88 Ų | 88 | 104.2 Ų | 104.2 | 41% | 0.411 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.6 | -37.9 | 175.7 | -74.6 | 175.9 | 8.2 | 0 | 0 | 112.4 | T374 A376 F380 R382 | T374-Q378 WeakPolarHBondContact O-CB 3.25Å; T374-Q378 VanDerWaalsContact O-CG 3.23Å; T374-Q378 WeakPolarHBondContact O-CG 3.46Å; T374-Q378 PolarHBondContact O-N 3.41Å; A376-Q378 PolarHBondContact O-N 2.98Å; Q378-F380 VanDerWaalsContact C-N 3.35Å; Q378-R382 WeakPolarHBondContact O-CB 3.18Å; Q378-R382 WeakPolarHBondContact O-CG 3.48Å; Q378-R382 PolarHBondContact O-N 3.4Å; Q378-R382 PolarHBondContact O-NE 2.92Å |
| 379 | T | 96.1 | Very high | 94.5 | Very high | 58 Ų | 58 | 100.2 Ų | 100.2 | 36% | 0.356 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69.2 | -38.4 | 177.7 | -55.4 | 0 | 0 | 0 | 0 | 110.8 | R375 A376 E377 K383 | R375-T379 WeakPolarHBondContact O-CB 3.44Å; R375-T379 PolarHBondContact O-N 3.35Å; R375-T379 PolarHBondContact O-OG1 3.42Å; A376-T379 WeakPolarHBondContact O-CB 3.17Å; A376-T379 PolarHBondContact O-N 2.76Å; A376-T379 VanDerWaalsContact O-N 3.12Å; E377-T379 VanDerWaalsContact C-N 3.28Å; E377-T379 PolarHBondContact O-N 3.48Å; T379-K383 WeakPolarHBondContact O-CG 3.47Å; T379-K383 PolarHBondContact O-N 3.19Å |
| 380 | F | 94.3 | Very high | 94.1 | Very high | 89 Ų | 89 | 102.1 Ų | 102.1 | 39% | 0.39 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.3 | -52.4 | 173.6 | 174.2 | -107.2 | 0 | 0 | 0 | 111.5 | A376 E377 Q378 R382 K383 L384 E391 V394 | A376-F380 WeakPolarHBondContact O-CB 3.4Å; A376-F380 PolarHBondContact O-N 3.4Å; E377-F380 WeakPolarHBondContact O-CB 3.3Å; E377-F380 PolarHBondContact O-N 2.89Å; Q378-F380 VanDerWaalsContact C-N 3.35Å; F380-R382 PolarHBondContact O-N 3.03Å; F380-K383 WeakPolarHBondContact O-CA 3.41Å; F380-K383 WeakPolarHBondContact O-CB 3.21Å; F380-K383 PolarHBondContact O-N 2.91Å; F380-L384 HydrophobicContact CD1-CD1 4.08Å; F380-L384 HydrophobicContact CE1-CD1 3.44Å; F380-L384 VanDerWaalsContact CE1-CD1 3.44Å; F380-L384 HydrophobicContact CE1-CG 4.23Å; F380-L384 HydrophobicContact CE2-CD1 4.14Å; F380-L384 HydrophobicContact CE2-CD2 4.29Å; F380-L384 HydrophobicContact CE2-CG 4.17Å; F380-L384 HydrophobicContact CZ-CD1 3.49Å; F380-L384 VanDerWaalsContact CZ-CD1 3.49Å; F380-L384 HydrophobicContact CZ-CD2 4.31Å; F380-L384 HydrophobicContact CZ-CG 4.03Å; F380-L384 PolarHBondContact O-N 3.42Å; F380-E391 HydrophobicContact CE1-CG 4.35Å; F380-V394 HydrophobicContact CZ-CG1 4.19Å |
| 381 | R | 92.9 | Very high | 93.6 | Very high | 106 Ų | 106 | 98.4 Ų | 98.4 | 40% | 0.4 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -56.8 | -47.9 | 176.3 | -71.3 | -174 | -174.4 | 134.3 | 10.3 | 112.4 | E377 K383 L384 E385 E391 | E377-R381 WeakPolarHBondContact O-CG 3.49Å; E377-R381 PolarHBondContact O-N 3.34Å; R381-K383 PolarHBondContact O-N 3.07Å; R381-L384 PolarHBondContact O-N 3.26Å; R381-L384 VanDerWaalsContact O-N 3.13Å; R381-E385 WeakPolarHBondContact O-CB 3.39Å; R381-E385 WeakPolarHBondContact O-CG 3.28Å; R381-E385 PolarHBondContact O-N 2.87Å; R381-E391 IonicContact CZ-OE1 2.7Å; R381-E391 IonicContact NE-OE1 3.69Å; R381-E391 PolarHBondContact NE-OE1 3.38Å; R381-E391 IonicContact NE-OE2 4Å; R381-E391 PolarHBondContact NE-OE2 2.94Å; R381-E391 IonicContact NH2-OE1 3.35Å |
| 382 | R | 93.9 | Very high | 93 | Very high | 121 Ų | 121 | 101 Ų | 101 | 46% | 0.457 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.9 | -33.7 | 175.5 | -80.7 | -176.4 | -99.8 | 131.8 | -7.8 | 113 | Q378 F380 K386 | Q378-R382 WeakPolarHBondContact O-CB 3.18Å; Q378-R382 WeakPolarHBondContact O-CG 3.48Å; Q378-R382 PolarHBondContact O-N 3.4Å; Q378-R382 PolarHBondContact O-NE 2.92Å; F380-R382 PolarHBondContact O-N 3.03Å; R382-K386 WeakPolarHBondContact O-CB 3.41Å; R382-K386 WeakPolarHBondContact O-CD 3.22Å; R382-K386 WeakPolarHBondContact O-CG 3.49Å; R382-K386 PolarHBondContact O-N 3.18Å |
| 383 | K | 95.5 | Very high | 92.5 | Very high | 139 Ų | 139 | 104 Ų | 104 | 60% | 0.604 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -71.7 | -45 | 175.2 | -78.6 | -180 | 179.1 | -175.3 | 0 | 111.2 | T379 F380 R381 K386 T387 | T379-K383 WeakPolarHBondContact O-CG 3.47Å; T379-K383 PolarHBondContact O-N 3.19Å; F380-K383 WeakPolarHBondContact O-CA 3.41Å; F380-K383 WeakPolarHBondContact O-CB 3.21Å; F380-K383 PolarHBondContact O-N 2.91Å; R381-K383 PolarHBondContact O-N 3.07Å; K383-K386 WeakPolarHBondContact O-CB 3.47Å; K383-K386 PolarHBondContact O-N 3.45Å; K383-T387 PolarHBondContact O-N 3.19Å; K383-T387 PolarHBondContact O-OG1 3.32Å; K383-T387 VanDerWaalsContact O-OG1 3.13Å |
| 384 | L | 92.6 | Very high | 92 | Very high | 20 Ų | 20 | 99.7 Ų | 99.7 | 11% | 0.105 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -59.4 | -46.5 | 176.9 | -71.2 | -174.3 | 0 | 0 | 0 | 112.1 | F380 R381 K386 T387 G388 I389 E391 V394 | F380-L384 HydrophobicContact CD1-CD1 4.08Å; F380-L384 HydrophobicContact CE1-CD1 3.44Å; F380-L384 VanDerWaalsContact CE1-CD1 3.44Å; F380-L384 HydrophobicContact CE1-CG 4.23Å; F380-L384 HydrophobicContact CE2-CD1 4.14Å; F380-L384 HydrophobicContact CE2-CD2 4.29Å; F380-L384 HydrophobicContact CE2-CG 4.17Å; F380-L384 HydrophobicContact CZ-CD1 3.49Å; F380-L384 VanDerWaalsContact CZ-CD1 3.49Å; F380-L384 HydrophobicContact CZ-CD2 4.31Å; F380-L384 HydrophobicContact CZ-CG 4.03Å; F380-L384 PolarHBondContact O-N 3.42Å; R381-L384 PolarHBondContact O-N 3.26Å; R381-L384 VanDerWaalsContact O-N 3.13Å; L384-K386 VanDerWaalsContact C-N 3.35Å; L384-K386 PolarHBondContact O-N 2.86Å; L384-T387 WeakPolarHBondContact CA-OG1 3.42Å; L384-T387 CarbonylContact O-C 3.55Å; L384-T387 PolarHBondContact O-N 2.75Å; L384-T387 VanDerWaalsContact O-N 3.07Å; L384-T387 PolarHBondContact O-OG1 3.04Å; L384-G388 PolarHBondContact O-N 3.09Å; L384-I389 HydrophobicContact CD2-CB 4.44Å; L384-I389 PolarHBondContact O-N 2.89Å; L384-I389 VanDerWaalsContact O-N 3.11Å; L384-E391 HydrophobicContact CD1-CB 4.12Å; L384-E391 HydrophobicContact CD1-CG 4.4Å; L384-V394 HydrophobicContact CD1-CG2 4.34Å; L384-V394 HydrophobicContact CD2-CG2 3.88Å |
| 385 | E | 91.1 | Very high | 91.5 | Very high | 140 Ų | 140 | 102.1 Ų | 102.1 | 65% | 0.654 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -57.1 | -45.7 | 175.3 | -73.5 | 169.9 | -176.2 | 0 | 0 | 111.7 | R381 T387 G388 | R381-E385 WeakPolarHBondContact O-CB 3.39Å; R381-E385 WeakPolarHBondContact O-CG 3.28Å; R381-E385 PolarHBondContact O-N 2.87Å; E385-T387 VanDerWaalsContact C-N 3.26Å; E385-T387 PolarHBondContact O-N 3.19Å; E385-G388 PolarHBondContact O-N 3.3Å; E385-G388 VanDerWaalsContact O-N 3.1Å |
| 386 | K | 93.8 | Very high | 91 | Very high | 184 Ų | 184 | 100.1 Ų | 100.1 | 80% | 0.8 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62 | -32.7 | 175.8 | -76.3 | 174.1 | -177.8 | -169 | 0 | 113.2 | R382 K383 L384 | R382-K386 WeakPolarHBondContact O-CB 3.41Å; R382-K386 WeakPolarHBondContact O-CD 3.22Å; R382-K386 WeakPolarHBondContact O-CG 3.49Å; R382-K386 PolarHBondContact O-N 3.18Å; K383-K386 WeakPolarHBondContact O-CB 3.47Å; K383-K386 PolarHBondContact O-N 3.45Å; L384-K386 VanDerWaalsContact C-N 3.35Å; L384-K386 PolarHBondContact O-N 2.86Å |
| 387 | T | 92.4 | Very high | 90.3 | Very high | 90 Ų | 90 | 100.4 Ų | 100.4 | 55% | 0.552 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -87.1 | -5.1 | 176.8 | 54.3 | 0 | 0 | 0 | 0 | 113.6 | K383 L384 E385 I389 | K383-T387 PolarHBondContact O-N 3.19Å; K383-T387 PolarHBondContact O-OG1 3.32Å; K383-T387 VanDerWaalsContact O-OG1 3.13Å; L384-T387 WeakPolarHBondContact CA-OG1 3.42Å; L384-T387 CarbonylContact O-C 3.55Å; L384-T387 PolarHBondContact O-N 2.75Å; L384-T387 VanDerWaalsContact O-N 3.07Å; L384-T387 PolarHBondContact O-OG1 3.04Å; E385-T387 VanDerWaalsContact C-N 3.26Å; E385-T387 PolarHBondContact O-N 3.19Å; T387-I389 VanDerWaalsContact C-N 3.27Å; T387-I389 PolarHBondContact O-N 3.45Å |
| 388 | G | 89.3 | Confident | 89.4 | Confident | 70 Ų | 70 | 99 Ų | 99 | 72% | 0.722 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.7 | 16.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115 | L384 E385 | L384-G388 PolarHBondContact O-N 3.09Å; E385-G388 PolarHBondContact O-N 3.3Å; E385-G388 VanDerWaalsContact O-N 3.1Å |
| 389 | I | 88.8 | Confident | 88.4 | Confident | 75 Ų | 75 | 101.6 Ų | 101.6 | 39% | 0.385 | 50% | 0.504 | S | S | . | . | trans | -99.3 | 136.7 | -178.2 | -56.9 | 174.6 | 0 | 0 | 0 | 108.8 | L384 T387 F393 V394 | L384-I389 HydrophobicContact CD2-CB 4.44Å; L384-I389 PolarHBondContact O-N 2.89Å; L384-I389 VanDerWaalsContact O-N 3.11Å; T387-I389 VanDerWaalsContact C-N 3.27Å; T387-I389 PolarHBondContact O-N 3.45Å; I389-F393 HydrophobicContact CG2-CD1 3.71Å; I389-F393 HydrophobicContact CG2-CE1 4.47Å; I389-V394 HydrophobicContact CG2-CG2 3.92Å | ||
| 390 | K | 87.3 | Confident | 87 | Confident | 160 Ų | 160 | 103.9 Ų | 103.9 | 70% | 0.696 | 52% | 0.522 | S | S | * | . | trans | -81 | 143.5 | 177.4 | -64.1 | -177 | -178.2 | 178 | 0 | 111.1 | Q392 F393 | K390-Q392 VanDerWaalsContact C-N 3.32Å; K390-Q392 PolarHBondContact O-N 3.42Å; K390-F393 WeakPolarHBondContact O-CB 3.28Å; K390-F393 PolarHBondContact O-N 3.37Å; K390-F393 VanDerWaalsContact O-N 3.15Å | ||
| 391 | E | 86.8 | Confident | 85.2 | Confident | 67 Ų | 67 | 108.1 Ų | 108.1 | 31% | 0.313 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -56 | -44 | 178.4 | -170.7 | 167.1 | -159.3 | 0 | 0 | 111.9 | F380 R381 L384 F393 V394 E395 | F380-E391 HydrophobicContact CE1-CG 4.35Å; R381-E391 IonicContact CZ-OE1 2.7Å; R381-E391 IonicContact NE-OE1 3.69Å; R381-E391 PolarHBondContact NE-OE1 3.38Å; R381-E391 IonicContact NE-OE2 4Å; R381-E391 PolarHBondContact NE-OE2 2.94Å; R381-E391 IonicContact NH2-OE1 3.35Å; L384-E391 HydrophobicContact CD1-CB 4.12Å; L384-E391 HydrophobicContact CD1-CG 4.4Å; E391-F393 VanDerWaalsContact C-N 3.27Å; E391-F393 PolarHBondContact O-N 3.13Å; E391-V394 WeakPolarHBondContact O-CB 3.38Å; E391-V394 PolarHBondContact O-N 2.89Å; E391-E395 PolarHBondContact O-N 3.27Å |
| 392 | Q | 84.6 | Confident | 83.6 | Confident | 145 Ų | 145 | 113.2 Ų | 113.2 | 68% | 0.678 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -56.6 | -36.7 | 177.4 | -66.8 | 175.1 | -20.9 | 0 | 0 | 113.6 | K390 V394 E395 E396 | K390-Q392 VanDerWaalsContact C-N 3.32Å; K390-Q392 PolarHBondContact O-N 3.42Å; Q392-V394 VanDerWaalsContact C-N 3.32Å; Q392-V394 PolarHBondContact O-N 2.89Å; Q392-E395 PolarHBondContact O-N 2.92Å; Q392-E396 WeakPolarHBondContact O-CB 3.36Å; Q392-E396 PolarHBondContact O-N 3.12Å |
| 393 | F | 86.3 | Confident | 81.7 | Confident | 119 Ų | 119 | 115.9 Ų | 115.9 | 52% | 0.522 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -66.7 | -36.8 | 178.7 | 174.6 | -98.2 | 0 | 0 | 0 | 111.4 | I389 K390 E391 T397 | I389-F393 HydrophobicContact CG2-CD1 3.71Å; I389-F393 HydrophobicContact CG2-CE1 4.47Å; K390-F393 WeakPolarHBondContact O-CB 3.28Å; K390-F393 PolarHBondContact O-N 3.37Å; K390-F393 VanDerWaalsContact O-N 3.15Å; E391-F393 VanDerWaalsContact C-N 3.27Å; E391-F393 PolarHBondContact O-N 3.13Å; F393-T397 HydrophobicContact CE1-CG2 4.34Å; F393-T397 HydrophobicContact CE2-CG2 4.13Å; F393-T397 HydrophobicContact CZ-CG2 4Å; F393-T397 WeakPolarHBondContact O-CB 3.49Å; F393-T397 PolarHBondContact O-N 3.4Å; F393-T397 PolarHBondContact O-OG1 3.31Å |
| 394 | V | 86.6 | Confident | 79.8 | Confident | 49 Ų | 49 | 114.8 Ų | 114.8 | 30% | 0.297 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -73.5 | -36.6 | 178.2 | -178.4 | 0 | 0 | 0 | 0 | 111.3 | F380 L384 I389 E391 Q392 T397 G398 | F380-V394 HydrophobicContact CZ-CG1 4.19Å; L384-V394 HydrophobicContact CD1-CG2 4.34Å; L384-V394 HydrophobicContact CD2-CG2 3.88Å; I389-V394 HydrophobicContact CG2-CG2 3.92Å; E391-V394 WeakPolarHBondContact O-CB 3.38Å; E391-V394 PolarHBondContact O-N 2.89Å; Q392-V394 VanDerWaalsContact C-N 3.32Å; Q392-V394 PolarHBondContact O-N 2.89Å; V394-T397 WeakPolarHBondContact CA-OG1 3.42Å; V394-T397 PolarHBondContact O-OG1 3.03Å; V394-G398 WeakPolarHBondContact O-CA 3.35Å; V394-G398 PolarHBondContact O-N 3.31Å |
| 395 | E | 86.2 | Confident | 77.8 | Confident | 112 Ų | 112 | 121.1 Ų | 121.1 | 52% | 0.523 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -64.5 | -48.3 | 174.2 | -69.2 | 175.4 | 167.5 | 0 | 0 | 111 | E391 Q392 G398 E399 | E391-E395 PolarHBondContact O-N 3.27Å; Q392-E395 PolarHBondContact O-N 2.92Å; E395-G398 PolarHBondContact O-N 3.46Å; E395-E399 WeakPolarHBondContact O-CB 3.46Å; E395-E399 WeakPolarHBondContact O-CG 3.44Å; E395-E399 PolarHBondContact O-N 2.95Å |
| 396 | E | 85.3 | Confident | 75.7 | Confident | 142 Ų | 142 | 119.9 Ų | 119.9 | 66% | 0.664 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -65.8 | -43 | -179.8 | -171.3 | 176.5 | -169.3 | 0 | 0 | 112.4 | Q392 G398 S400 | Q392-E396 WeakPolarHBondContact O-CB 3.36Å; Q392-E396 PolarHBondContact O-N 3.12Å; E396-G398 VanDerWaalsContact C-N 3.35Å; E396-S400 PolarHBondContact O-N 3.43Å |
| 397 | T | 81.4 | Confident | 73.6 | Confident | 68 Ų | 68 | 118.4 Ų | 118.4 | 42% | 0.417 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -71 | -29.6 | 174.2 | 45.1 | 0 | 0 | 0 | 0 | 113 | F393 V394 | F393-T397 HydrophobicContact CE1-CG2 4.34Å; F393-T397 HydrophobicContact CE2-CG2 4.13Å; F393-T397 HydrophobicContact CZ-CG2 4Å; F393-T397 WeakPolarHBondContact O-CB 3.49Å; F393-T397 PolarHBondContact O-N 3.4Å; F393-T397 PolarHBondContact O-OG1 3.31Å; V394-T397 WeakPolarHBondContact CA-OG1 3.42Å; V394-T397 PolarHBondContact O-OG1 3.03Å |
| 398 | G | 77.6 | Confident | 71.3 | Confident | 36 Ų | 36 | 120.9 Ų | 120.9 | 37% | 0.371 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -76.2 | -35.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | V394 E395 E396 F401 | V394-G398 WeakPolarHBondContact O-CA 3.35Å; V394-G398 PolarHBondContact O-N 3.31Å; E395-G398 PolarHBondContact O-N 3.46Å; E396-G398 VanDerWaalsContact C-N 3.35Å; G398-F401 PolarHBondContact O-N 3.28Å |
| 399 | E | 72.8 | Confident | 69 | Low | 144 Ų | 144 | 123 Ų | 123 | 67% | 0.673 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -69 | -39 | 173.7 | -82 | -178.1 | 164.1 | 0 | 0 | 111.8 | E395 F401 R402 | E395-E399 WeakPolarHBondContact O-CB 3.46Å; E395-E399 WeakPolarHBondContact O-CG 3.44Å; E395-E399 PolarHBondContact O-N 2.95Å; E399-F401 PolarHBondContact O-N 3.2Å; E399-F401 VanDerWaalsContact O-N 3.11Å; E399-R402 PolarHBondContact O-N 3.48Å |
| 400 | S | 66.8 | Low | 66.8 | Low | 105 Ų | 105 | 124 Ų | 124 | 73% | 0.734 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | -15.2 | 175.1 | -175.2 | 0 | 0 | 0 | 0 | 114 | E396 | E396-S400 PolarHBondContact O-N 3.43Š|
| 401 | F | 58.1 | Low | 64.5 | Low | 179 Ų | 179 | 125.3 Ų | 125.3 | 79% | 0.785 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.4 | 8.5 | -178.5 | -113.9 | -84.9 | 0 | 0 | 0 | 114.2 | G398 E399 F403 | G398-F401 PolarHBondContact O-N 3.28Å; E399-F401 PolarHBondContact O-N 3.2Å; E399-F401 VanDerWaalsContact O-N 3.11Å; F401-F403 PolarHBondContact O-N 2.91Å |
| 402 | R | 58 | Low | 62.6 | Low | 212 Ų | 212 | 131.1 Ų | 131.1 | 80% | 0.8 | 68% | 0.678 | S | S | * | * | trans | -69.5 | 80 | 171.5 | -64.1 | -71.5 | -168.4 | -167.8 | -0.2 | 109.5 | E399 | E399-R402 PolarHBondContact O-N 3.48Š| ||
| 403 | F | 54.6 | Low | 60.5 | Low | 177 Ų | 177 | 131.4 Ų | 131.4 | 78% | 0.776 | 68% | 0.68 | S | S | * | * | trans | -64.2 | 137.7 | 168.6 | -165.4 | -96.4 | 0 | 0 | 0 | 109.2 | F401 D405 | F401-F403 PolarHBondContact O-N 2.91Å; F403-D405 PolarHBondContact O-N 3.44Å | ||
| 404 | D | 55.3 | Low | 58.4 | Low | 116 Ų | 116 | 133.3 Ų | 133.3 | 62% | 0.62 | 69% | 0.694 | S | S | * | * | trans | -64.8 | 88.7 | -178.1 | -172.9 | 19.1 | 0 | 0 | 0 | 111.2 | T406 | D404-T406 PolarHBondContact OD1-N 3.29Å; D404-T406 PolarHBondContact OD1-OG1 3.3Å | ||
| 405 | D | 50.1 | Low | 56.2 | Low | 153 Ų | 153 | 138.1 Ų | 138.1 | 82% | 0.818 | 71% | 0.713 | S | S | * | * | trans | -105.9 | 62.2 | 157.5 | -82.8 | -31.8 | 0 | 0 | 0 | 108 | F403 D407 | F403-D405 PolarHBondContact O-N 3.44Å; D405-D407 VanDerWaalsContact C-N 3.33Å; D405-D407 PolarHBondContact O-N 2.85Å | ||
| 406 | T | 47.6 | Very low | 54.1 | Low | 115 Ų | 115 | 138 Ų | 138 | 71% | 0.706 | 73% | 0.725 | S | S | * | * | trans | -82.6 | 83.3 | 156.5 | 49.8 | 0 | 0 | 0 | 0 | 109.5 | D404 | D404-T406 PolarHBondContact OD1-N 3.29Å; D404-T406 PolarHBondContact OD1-OG1 3.3Å | ||
| 407 | D | 50.1 | Low | 52 | Low | 152 Ų | 152 | 142.6 Ų | 142.6 | 81% | 0.813 | 74% | 0.736 | S | S | * | * | trans | -141 | 117.6 | 150.3 | -106.7 | -27 | 0 | 0 | 0 | 109.9 | D405 | D405-D407 VanDerWaalsContact C-N 3.33Å; D405-D407 PolarHBondContact O-N 2.85Å | ||
| 408 | T | 44.8 | Very low | 50.2 | Low | 142 Ų | 142 | 147.5 Ų | 147.5 | 87% | 0.871 | 75% | 0.754 | S | S | * | * | S | Bend | trans | 87.9 | 90.5 | 173.5 | -28.1 | 0 | 0 | 0 | 0 | 116.9 | ||
| 409 | S | 40 | Very low | 48.4 | Very low | 114 Ų | 114 | 154.1 Ų | 154.1 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | 163.5 | 129.8 | 115.4 | -173.2 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 410 | S | 42.7 | Very low | 46.9 | Very low | 98 Ų | 98 | 154.8 Ų | 154.8 | 69% | 0.685 | 78% | 0.783 | S | S | * | * | trans | -39.6 | 133.5 | -173.7 | 63.8 | 0 | 0 | 0 | 0 | 116.4 | K412 | S410-K412 PolarHBondContact O-N 3.22Š| ||
| 411 | E | 39.8 | Very low | 45.9 | Very low | 187 Ų | 187 | 155.3 Ų | 155.3 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | trans | -41.8 | 117 | 157 | -61.1 | 176.3 | 158.8 | 0 | 0 | 111.2 | ||||
| 412 | K | 45.3 | Very low | 45.1 | Very low | 189 Ų | 189 | 155 Ų | 155 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | trans | -91.5 | 90.7 | 154.2 | -74.4 | -174.1 | -178.8 | 178.7 | 0 | 106.6 | S410 I414 | S410-K412 PolarHBondContact O-N 3.22Å; K412-I414 PolarHBondContact O-N 3.1Å; K412-I414 VanDerWaalsContact O-N 3.1Å | ||
| 413 | E | 40.8 | Very low | 44.3 | Very low | 151 Ų | 151 | 150.9 Ų | 150.9 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | trans | -59 | 104.8 | 164.8 | -163.2 | -178.6 | 179.8 | 0 | 0 | 108.2 | Q415 | E413-Q415 VanDerWaalsContact C-N 3.29Å; E413-Q415 HydrophobicContact CG-CG 4.5Å; E413-Q415 PolarHBondContact O-N 3.16Å | ||
| 414 | I | 43.5 | Very low | 43.8 | Very low | 159 Ų | 159 | 146.6 Ų | 146.6 | 82% | 0.815 | 78% | 0.783 | S | S | * | * | trans | -76.7 | 88 | 173.1 | -61.1 | 172.5 | 0 | 0 | 0 | 106.4 | K412 S416 | K412-I414 PolarHBondContact O-N 3.1Å; K412-I414 VanDerWaalsContact O-N 3.1Å; I414-S416 PolarHBondContact O-N 3.05Å | ||
| 415 | Q | 39 | Very low | 43.3 | Very low | 149 Ų | 149 | 149.9 Ų | 149.9 | 70% | 0.696 | 79% | 0.791 | S | S | * | * | trans | -71.4 | 103.5 | 161.9 | -78.7 | 176.9 | -1 | 0 | 0 | 108.2 | E413 R417 | E413-Q415 VanDerWaalsContact C-N 3.29Å; E413-Q415 HydrophobicContact CG-CG 4.5Å; E413-Q415 PolarHBondContact O-N 3.16Å; Q415-R417 PolarHBondContact O-N 2.83Å | ||
| 416 | S | 42.2 | Very low | 43 | Very low | 111 Ų | 111 | 151.9 Ų | 151.9 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | trans | -57.9 | 97.2 | 162.2 | 48.8 | 0 | 0 | 0 | 0 | 109 | I414 | I414-S416 PolarHBondContact O-N 3.05Š| ||
| 417 | R | 41.4 | Very low | 43.1 | Very low | 238 Ų | 238 | 154 Ų | 154 | 90% | 0.898 | 80% | 0.798 | S | S | * | * | trans | -84.8 | 112.8 | 173.3 | -179.3 | 166.7 | 174.5 | 173.8 | -2.3 | 108.9 | Q415 | Q415-R417 PolarHBondContact O-N 2.83Š| ||
| 418 | E | 43.3 | Very low | 43.3 | Very low | 170 Ų | 170 | 154.4 Ų | 154.4 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | trans | -54.1 | 134.9 | 171.9 | -71.1 | 173.8 | 151.5 | 0 | 0 | 111.5 | N420 | E418-N420 PolarHBondContact O-N 3.28Š| ||
| 419 | E | 39.3 | Very low | 43.5 | Very low | 175 Ų | 175 | 155.5 Ų | 155.5 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -69.5 | 101.1 | 174.1 | -175.9 | 178.5 | -176.4 | 0 | 0 | 109 | V421 | E419-V421 HydrophobicContact CG-CG2 4.2Å; E419-V421 PolarHBondContact O-N 3.39Å | ||
| 420 | N | 41.3 | Very low | 44 | Very low | 158 Ų | 158 | 156.6 Ų | 156.6 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | trans | -84.8 | 105 | 163.5 | -79.1 | -63.3 | 0 | 0 | 0 | 108.3 | E418 | E418-N420 PolarHBondContact O-N 3.28Š| ||
| 421 | V | 46.8 | Very low | 44.2 | Very low | 116 Ų | 116 | 159.5 Ų | 159.5 | 70% | 0.703 | 80% | 0.8 | S | S | * | * | trans | -80.3 | 106.1 | 160.4 | 176.5 | 0 | 0 | 0 | 0 | 107 | E419 | E419-V421 HydrophobicContact CG-CG2 4.2Å; E419-V421 PolarHBondContact O-N 3.39Å | ||
| 422 | E | 42 | Very low | 44.6 | Very low | 173 Ų | 173 | 158.7 Ų | 158.7 | 81% | 0.808 | 80% | 0.802 | S | S | * | * | trans | -165.4 | 135.2 | 149.8 | -145.3 | 125.5 | -153.8 | 0 | 0 | 113.1 | ||||
| 423 | D | 41.4 | Very low | 44.6 | Very low | 126 Ų | 126 | 158.7 Ų | 158.7 | 67% | 0.674 | 80% | 0.802 | S | S | * | * | trans | 74.6 | 80.5 | 158.2 | -64.5 | -14.5 | 0 | 0 | 0 | 121.3 | K425 | D423-K425 PolarHBondContact O-N 2.92Å; D423-K425 VanDerWaalsContact O-N 3.08Å | ||
| 424 | G | 43.7 | Very low | 45.2 | Very low | 87 Ų | 87 | 157 Ų | 157 | 90% | 0.897 | 81% | 0.806 | S | S | * | * | trans | -63.4 | 96.9 | 149.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | K426 | G424-K426 PolarHBondContact O-N 2.89Š| ||
| 425 | K | 44.9 | Very low | 45.1 | Very low | 185 Ų | 185 | 155.5 Ų | 155.5 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | -81.6 | 110.4 | 162.6 | -74.1 | -174.3 | -179.7 | 179.4 | 0 | 110.1 | D423 I427 | D423-K425 PolarHBondContact O-N 2.92Å; D423-K425 VanDerWaalsContact O-N 3.08Å; K425-I427 PolarHBondContact O-N 3.18Å | ||
| 426 | K | 42.8 | Very low | 45.5 | Very low | 195 Ų | 195 | 158 Ų | 158 | 85% | 0.848 | 81% | 0.813 | S | S | * | * | trans | -25.3 | 118.5 | 161.3 | -153.3 | 171.2 | -176.2 | -178.8 | 0 | 113.2 | G424 | G424-K426 PolarHBondContact O-N 2.89Š| ||
| 427 | I | 50.3 | Low | 45.8 | Very low | 158 Ų | 158 | 157.9 Ų | 157.9 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | trans | -85.5 | 119.5 | 165.2 | -63.6 | 168.5 | 0 | 0 | 0 | 106.1 | K425 | K425-I427 PolarHBondContact O-N 3.18Š| ||
| 428 | E | 52.8 | Low | 46.2 | Very low | 162 Ų | 162 | 156.3 Ų | 156.3 | 76% | 0.757 | 81% | 0.812 | S | S | * | * | trans | -78.4 | 132.3 | 168.6 | -70.8 | -178.7 | 163.5 | 0 | 0 | 109.2 | V430 | E428-V430 PolarHBondContact O-N 3.04Š| ||
| 429 | D | 49.5 | Very low | 46.4 | Very low | 164 Ų | 164 | 151.6 Ų | 151.6 | 88% | 0.877 | 81% | 0.808 | S | S | * | * | trans | -60.6 | 112.6 | 172.1 | -68.6 | -43.8 | 0 | 0 | 0 | 109.7 | ||||
| 430 | V | 50.3 | Low | 46.9 | Very low | 137 Ų | 137 | 152.4 Ų | 152.4 | 83% | 0.83 | 81% | 0.812 | S | S | * | * | trans | -103.1 | 115.4 | 166.8 | 176.5 | 0 | 0 | 0 | 0 | 108.2 | E428 | E428-V430 PolarHBondContact O-N 3.04Š| ||
| 431 | E | 47.3 | Very low | 47.5 | Very low | 160 Ų | 160 | 154.1 Ų | 154.1 | 75% | 0.748 | 82% | 0.815 | S | S | * | * | trans | -45.1 | 131 | -175.8 | -61.2 | 170.4 | 155.4 | 0 | 0 | 115.2 | K433 | E431-K433 PolarHBondContact O-N 2.88Š| ||
| 432 | D | 48.5 | Very low | 47.7 | Very low | 170 Ų | 170 | 156.1 Ų | 156.1 | 91% | 0.909 | 82% | 0.819 | S | S | * | * | trans | -57.6 | 101.7 | 163.9 | -82.1 | -37.6 | 0 | 0 | 0 | 111.2 | S434 | D432-S434 PolarHBondContact O-N 2.78Š| ||
| 433 | K | 45.7 | Very low | 48.6 | Very low | 188 Ų | 188 | 156.6 Ų | 156.6 | 82% | 0.817 | 84% | 0.837 | S | S | * | * | trans | -85.9 | 95.5 | 164.6 | -72 | -175 | -178 | 175.7 | 0 | 110 | E431 | E431-K433 PolarHBondContact O-N 2.88Š| ||
| 434 | S | 52.4 | Low | 49 | Very low | 115 Ų | 115 | 158.1 Ų | 158.1 | 80% | 0.804 | 85% | 0.845 | S | S | * | * | trans | -30.1 | 127.8 | 166.2 | -171 | 0 | 0 | 0 | 0 | 115 | D432 | D432-S434 PolarHBondContact O-N 2.78Š| ||
| 435 | V | 42.8 | Very low | 49.3 | Very low | 128 Ų | 128 | 161.8 Ų | 161.8 | 78% | 0.776 | 84% | 0.842 | S | S | * | * | trans | -58.5 | 124.9 | 168.4 | 177.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 436 | K | 45.9 | Very low | 49.5 | Very low | 202 Ų | 202 | 160.6 Ų | 160.6 | 88% | 0.878 | 84% | 0.844 | S | S | * | * | trans | -115.5 | 92.4 | 163.3 | -137.7 | 168.3 | -169.9 | 170.9 | 0 | 108.9 | K438 | K436-K438 PolarHBondContact O-N 2.94Š| ||
| 437 | S | 48.4 | Very low | 49.9 | Very low | 108 Ų | 108 | 158.5 Ų | 158.5 | 76% | 0.755 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 116.8 | 164.4 | 48.4 | 0 | 0 | 0 | 0 | 109.1 | ||
| 438 | K | 50 | Low | 49.9 | Very low | 206 Ų | 206 | 158.6 Ų | 158.6 | 90% | 0.896 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -98.2 | 116.4 | 160.9 | -94.7 | -164.4 | 170.2 | -169.1 | 0 | 108.2 | K436 | K436-K438 PolarHBondContact O-N 2.94Š|
| 439 | G | 47.3 | Very low | 49.7 | Very low | 70 Ų | 70 | 158.3 Ų | 158.3 | 72% | 0.722 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -70 | 147.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 440 | E | 50.7 | Low | 49.7 | Very low | 193 Ų | 193 | 157.9 Ų | 157.9 | 90% | 0.902 | 85% | 0.85 | S | S | * | * | 40.7 | 104.3 | 124.6 | -136.4 | 171 | -163.8 | 0 | 0 | 117.9 | |||||
| 441 | E | 54.3 | Low | 49.6 | Very low | 193 Ų | 193 | 159.5 Ų | 159.5 | 90% | 0.902 | 85% | 0.852 | S | S | * | * | trans | -155.5 | 113.8 | 138.4 | -141.3 | 173.1 | -175.3 | 0 | 0 | 109.4 | ||||
| 442 | M | 51.1 | Low | 49.8 | Very low | 158 Ų | 158 | 159.5 Ų | 159.5 | 78% | 0.778 | 86% | 0.861 | S | S | * | * | trans | -83 | 149.4 | 169 | -80.5 | -69.2 | -30.6 | 0 | 0 | 109.7 | ||||
| 443 | P | 60.8 | Low | 49.9 | Very low | 183 Ų | 183 | 158.5 Ų | 158.5 | 100% | 1.188 | 86% | 0.856 | S | S | * | * | trans | -114.7 | 0 | 131.6 | 30.9 | -29.5 | 0 | 0 | 0 | 113.4 |
Retrieved 443 of 443 residues in 170.3 ms
(Link to these results)