| 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 | 35.3 | Very low | 34.1 | Very low | 241 Ų | 241 | 144.7 Ų | 144.7 | 100% | 1.187 | 87% | 0.865 | S | S | * | * | 0 | 114.7 | 0 | -71 | -170.4 | 167.9 | 0 | 0 | 107.8 | |||||
| 2 | P | 36.5 | Very low | 34.1 | Very low | 128 Ų | 128 | 143.1 Ų | 143.1 | 83% | 0.831 | 86% | 0.857 | S | S | * | * | trans | -90.1 | 134.4 | -172 | 33.7 | -28.5 | 0 | 0 | 0 | 110.8 | ||||
| 3 | R | 37.9 | Very low | 33.9 | Very low | 251 Ų | 251 | 146.4 Ų | 146.4 | 95% | 0.947 | 86% | 0.857 | S | S | * | * | trans | -88 | 111.2 | 164.6 | -89.9 | -176.9 | 167.6 | 176.7 | -3.4 | 108.5 | ||||
| 4 | T | 37.6 | Very low | 33.8 | Very low | 137 Ų | 137 | 143.4 Ų | 143.4 | 84% | 0.84 | 85% | 0.848 | S | S | * | * | trans | -64.3 | 127.3 | 159.7 | 43.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 5 | G | 36.3 | Very low | 33.7 | Very low | 72 Ų | 72 | 144.4 Ų | 144.4 | 74% | 0.742 | 84% | 0.838 | S | S | * | * | trans | -149.5 | 101 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 6 | L | 32.4 | Very low | 33.8 | Very low | 178 Ų | 178 | 143.9 Ų | 143.9 | 93% | 0.932 | 83% | 0.829 | S | S | * | * | trans | -63.9 | 128.3 | 166.9 | -88.2 | 90.7 | 0 | 0 | 0 | 108.9 | ||||
| 7 | S | 36 | Very low | 33.8 | Very low | 114 Ų | 114 | 143.1 Ų | 143.1 | 80% | 0.797 | 82% | 0.816 | S | S | * | * | trans | -137.1 | 107.9 | 149.3 | 66.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 8 | S | 29.4 | Very low | 34 | Very low | 114 Ų | 114 | 140.6 Ų | 140.6 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | trans | -69.7 | 122.7 | 165.6 | 147 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 9 | C | 34.7 | Very low | 34 | Very low | 128 Ų | 128 | 138.3 Ų | 138.3 | 87% | 0.865 | 79% | 0.788 | S | S | * | * | trans | -154.6 | 112.4 | 154.4 | -97 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 10 | G | 30.7 | Very low | 34.3 | Very low | 70 Ų | 70 | 140.1 Ų | 140.1 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | trans | 70.3 | 90.1 | 139.5 | 0 | 0 | 0 | 0 | 0 | 118 | T12 | G10-T12 PolarHBondContact O-N 2.89Š| ||
| 11 | N | 28.2 | Very low | 34.4 | Very low | 159 Ų | 159 | 138.8 Ų | 138.8 | 85% | 0.85 | 78% | 0.778 | S | S | * | * | trans | -61.4 | 112.9 | 155.2 | -73.3 | -11.7 | 0 | 0 | 0 | 109.6 | ||||
| 12 | T | 34.2 | Very low | 34.4 | Very low | 125 Ų | 125 | 133 Ų | 133 | 77% | 0.767 | 76% | 0.757 | S | S | * | * | trans | -125.1 | 98 | 143.6 | 47.2 | 0 | 0 | 0 | 0 | 106.4 | G10 S14 | G10-T12 PolarHBondContact O-N 2.89Å; T12-S14 VanDerWaalsContact C-N 3.28Å; T12-S14 PolarHBondContact O-N 3.49Å | ||
| 13 | E | 31.1 | Very low | 34.4 | Very low | 186 Ų | 186 | 128.5 Ų | 128.5 | 87% | 0.869 | 73% | 0.728 | S | S | * | * | trans | -63.5 | 90.5 | 166.5 | -71.7 | 175.1 | 139 | 0 | 0 | 108.3 | K15 | E13-K15 PolarHBondContact O-N 3.24Å; E13-K15 VanDerWaalsContact O-N 3.07Å | ||
| 14 | S | 33.3 | Very low | 34.6 | Very low | 104 Ų | 104 | 120.2 Ų | 120.2 | 73% | 0.727 | 71% | 0.714 | S | S | * | * | trans | -74.9 | 86 | 155.6 | 17.1 | 0 | 0 | 0 | 0 | 106.9 | T12 I16 | T12-S14 VanDerWaalsContact C-N 3.28Å; T12-S14 PolarHBondContact O-N 3.49Å; S14-I16 PolarHBondContact O-N 3.22Å | ||
| 15 | K | 31.9 | Very low | 34.5 | Very low | 159 Ų | 159 | 119.9 Ų | 119.9 | 69% | 0.691 | 71% | 0.706 | S | S | * | * | trans | -59.1 | 98.5 | 164.7 | -173.9 | -169.8 | -176.8 | -160.4 | 0 | 107.3 | E13 E17 | E13-K15 PolarHBondContact O-N 3.24Å; E13-K15 VanDerWaalsContact O-N 3.07Å; K15-E17 VanDerWaalsContact C-N 3.32Å; K15-E17 HydrophobicContact CD-CG 4.02Å; K15-E17 WeakPolarHBondContact CE-OE1 3.2Å; K15-E17 HydrophobicContact CG-CG 4.2Å; K15-E17 IonicContact NZ-OE1 3.6Å; K15-E17 PolarHBondContact NZ-OE1 3.02Å; K15-E17 PolarHBondContact O-N 3.36Å | ||
| 16 | I | 35.9 | Very low | 34.8 | Very low | 137 Ų | 137 | 124.9 Ų | 124.9 | 70% | 0.703 | 71% | 0.711 | S | S | * | * | trans | -72 | 97.1 | 164.5 | -60 | 170.8 | 0 | 0 | 0 | 105.2 | S14 L18 | S14-I16 PolarHBondContact O-N 3.22Å; I16-L18 VanDerWaalsContact C-N 3.34Å; I16-L18 HydrophobicContact CG2-CG 4.38Å; I16-L18 PolarHBondContact O-N 3.33Å | ||
| 17 | E | 33.6 | Very low | 35 | Very low | 129 Ų | 129 | 125 Ų | 125 | 60% | 0.603 | 71% | 0.712 | S | S | * | * | trans | -67.7 | 96.8 | 164.9 | -84.5 | -176.3 | 162.9 | 0 | 0 | 107.8 | K15 T19 | K15-E17 VanDerWaalsContact C-N 3.32Å; K15-E17 HydrophobicContact CD-CG 4.02Å; K15-E17 WeakPolarHBondContact CE-OE1 3.2Å; K15-E17 HydrophobicContact CG-CG 4.2Å; K15-E17 IonicContact NZ-OE1 3.6Å; K15-E17 PolarHBondContact NZ-OE1 3.02Å; K15-E17 PolarHBondContact O-N 3.36Å; E17-T19 PolarHBondContact O-N 3.39Å | ||
| 18 | L | 37.2 | Very low | 35.2 | Very low | 99 Ų | 99 | 123.7 Ų | 123.7 | 52% | 0.518 | 71% | 0.708 | S | S | . | * | trans | -69.2 | 71.2 | 161.7 | -81.2 | 153 | 0 | 0 | 0 | 108 | I16 E20 M21 F120 | I16-L18 VanDerWaalsContact C-N 3.34Å; I16-L18 HydrophobicContact CG2-CG 4.38Å; I16-L18 PolarHBondContact O-N 3.33Å; L18-E20 PolarHBondContact O-N 3.33Å; L18-M21 HydrophobicContact CD2-CE 4.13Å; L18-F120 HydrophobicContact CD1-CE2 4.02Å; L18-F120 HydrophobicContact CD1-CZ 4.11Å | ||
| 19 | T | 34.1 | Very low | 35.4 | Very low | 96 Ų | 96 | 127.7 Ų | 127.7 | 59% | 0.589 | 71% | 0.714 | S | S | * | * | trans | -81.5 | 108.3 | 172.9 | -41.9 | 0 | 0 | 0 | 0 | 107.6 | E17 M21 | E17-T19 PolarHBondContact O-N 3.39Å; T19-M21 PolarHBondContact O-N 3.14Å | ||
| 20 | E | 39.9 | Very low | 35.5 | Very low | 175 Ų | 175 | 127.4 Ų | 127.4 | 82% | 0.818 | 71% | 0.712 | S | S | * | * | trans | 43.3 | 69.1 | 163 | -66.3 | 179.8 | 161.2 | 0 | 0 | 116.2 | L18 T22 | L18-E20 PolarHBondContact O-N 3.33Å; E20-T22 PolarHBondContact O-N 2.82Å | ||
| 21 | M | 35.5 | Very low | 35.6 | Very low | 112 Ų | 112 | 131.9 Ų | 131.9 | 55% | 0.552 | 72% | 0.72 | S | S | * | * | trans | -92.6 | 86.3 | 159.6 | -76.9 | -176.1 | -123.3 | 0 | 0 | 109.2 | L18 T19 F152 | L18-M21 HydrophobicContact CD2-CE 4.13Å; T19-M21 PolarHBondContact O-N 3.14Å; M21-F152 HydrophobicContact CB-CE1 4.49Å; M21-F152 HydrophobicContact SD-CE1 4.47Å | ||
| 22 | T | 36.3 | Very low | 36.1 | Very low | 120 Ų | 120 | 132.9 Ų | 132.9 | 74% | 0.736 | 72% | 0.719 | S | S | * | * | trans | -81.1 | 125.9 | 168.6 | 42.6 | 0 | 0 | 0 | 0 | 109.7 | E20 A24 | E20-T22 PolarHBondContact O-N 2.82Å; T22-A24 PolarHBondContact O-N 3.31Å | ||
| 23 | C | 36.7 | Very low | 35.9 | Very low | 34 Ų | 34 | 131.8 Ų | 131.8 | 23% | 0.23 | 72% | 0.717 | C | S | . | * | trans | -62.7 | 105.9 | 168.7 | -63 | 0 | 0 | 0 | 0 | 106.5 | N25 E148 C150 | C23-N25 PolarHBondContact O-N 3.25Å; C23-N25 VanDerWaalsContact O-N 3.14Å; C23-E148 WeakPolarHBondContact CB-OE2 3.36Å; C23-C150 WeakPolarHBondContact CB-SG 3.36Å; C23-C150 WeakPolarHBondContact SG-CB 3.2Å; C23-C150 CovalentContact SG-SG 2.11Å; C23-C150 PolarHBondContact SG-SG 3.49Å | ||
| 24 | A | 41.1 | Very low | 35.9 | Very low | 77 Ų | 77 | 130 Ų | 130 | 64% | 0.636 | 71% | 0.713 | S | S | * | * | trans | -80.4 | 94 | -175.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | T22 E26 | T22-A24 PolarHBondContact O-N 3.31Å; A24-E26 PolarHBondContact O-N 3.2Å | ||
| 25 | N | 35.2 | Very low | 35.8 | Very low | 129 Ų | 129 | 133 Ų | 133 | 69% | 0.69 | 72% | 0.719 | S | S | * | * | trans | -85.8 | 89.4 | 163 | -87 | -32.2 | 0 | 0 | 0 | 108.6 | C23 E148 | C23-N25 PolarHBondContact O-N 3.25Å; C23-N25 VanDerWaalsContact O-N 3.14Å; N25-E148 PolarHBondContact ND2-OE1 3.4Å; N25-E148 PolarHBondContact ND2-OE2 3.32Å | ||
| 26 | E | 42.8 | Very low | 35.9 | Very low | 178 Ų | 178 | 130.3 Ų | 130.3 | 83% | 0.832 | 72% | 0.716 | S | S | * | * | trans | -123.1 | 121.1 | 162.5 | -70.4 | -167.4 | 149 | 0 | 0 | 109.2 | A24 A28 | A24-E26 PolarHBondContact O-N 3.2Å; E26-A28 PolarHBondContact O-N 3.32Å | ||
| 27 | D | 37.2 | Very low | 35.8 | Very low | 180 Ų | 180 | 131.2 Ų | 131.2 | 96% | 0.963 | 72% | 0.717 | S | S | * | * | trans | -55.1 | 102.8 | 174.6 | -61.7 | -57.3 | 0 | 0 | 0 | 110.3 | ||||
| 28 | A | 41.5 | Very low | 35.8 | Very low | 87 Ų | 87 | 134.7 Ų | 134.7 | 72% | 0.719 | 73% | 0.734 | S | S | * | * | trans | -122.3 | 91.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | E26 C30 | E26-A28 PolarHBondContact O-N 3.32Å; A28-C30 PolarHBondContact O-N 2.96Å | ||
| 29 | E | 33.3 | Very low | 35.4 | Very low | 198 Ų | 198 | 135.1 Ų | 135.1 | 93% | 0.925 | 74% | 0.741 | S | S | * | * | trans | -56.2 | 111.4 | 156.8 | -75.2 | -179.2 | 132.9 | 0 | 0 | 108.9 | ||||
| 30 | C | 36.4 | Very low | 35.2 | Very low | 121 Ų | 121 | 135.8 Ų | 135.8 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | trans | -144.1 | 97.7 | 163.2 | -86.7 | 0 | 0 | 0 | 0 | 110 | A28 | A28-C30 PolarHBondContact O-N 2.96Š| ||
| 31 | N | 32.5 | Very low | 34.9 | Very low | 165 Ų | 165 | 135 Ų | 135 | 88% | 0.882 | 74% | 0.738 | S | S | * | * | trans | -57.7 | 135.5 | 154.2 | -102.9 | -21.3 | 0 | 0 | 0 | 109.7 | ||||
| 32 | E | 38.7 | Very low | 34.7 | Very low | 179 Ų | 179 | 135.7 Ų | 135.7 | 84% | 0.836 | 75% | 0.749 | S | S | * | * | trans | 145.3 | 109.2 | 138.4 | -79.9 | -172.4 | 155.8 | 0 | 0 | 111.1 | ||||
| 33 | S | 30.2 | Very low | 35 | Very low | 102 Ų | 102 | 136.9 Ų | 136.9 | 71% | 0.713 | 75% | 0.746 | S | S | * | * | trans | 11.3 | 109.5 | 146.5 | 51 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 34 | N | 31.9 | Very low | 35 | Very low | 150 Ų | 150 | 144 Ų | 144 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | trans | -161.5 | 129.9 | 137.1 | -97.7 | -38.1 | 0 | 0 | 0 | 111.7 | V36 | N34-V36 PolarHBondContact O-N 2.79Š| ||
| 35 | I | 30.6 | Very low | 35.3 | Very low | 166 Ų | 166 | 144.8 Ų | 144.8 | 85% | 0.851 | 77% | 0.769 | S | S | * | * | trans | -53 | 118.2 | 165.2 | -70 | 157.1 | 0 | 0 | 0 | 107.4 | ||||
| 36 | V | 33.1 | Very low | 35.4 | Very low | 102 Ų | 102 | 145.6 Ų | 145.6 | 62% | 0.618 | 77% | 0.774 | S | S | * | * | trans | -117.8 | 113.2 | 173.1 | 179.6 | 0 | 0 | 0 | 0 | 108.1 | N34 Q38 | N34-V36 PolarHBondContact O-N 2.79Å; V36-Q38 PolarHBondContact O-N 2.66Å | ||
| 37 | E | 33.8 | Very low | 35.3 | Very low | 157 Ų | 157 | 146.7 Ų | 146.7 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | trans | -52.2 | 124.1 | 173.8 | -70.4 | 174.5 | 128.9 | 0 | 0 | 111 | T39 | E37-T39 VanDerWaalsContact C-N 3.32Å; E37-T39 HydrophobicContact CB-CG2 4.35Å; E37-T39 PolarHBondContact O-N 3.12Å | ||
| 38 | Q | 33.3 | Very low | 35.7 | Very low | 202 Ų | 202 | 145.9 Ų | 145.9 | 94% | 0.944 | 77% | 0.769 | S | S | * | * | trans | -63 | 96.8 | 159.8 | -83.6 | 177.6 | -29.3 | 0 | 0 | 108 | V36 | V36-Q38 PolarHBondContact O-N 2.66Š| ||
| 39 | T | 29.3 | Very low | 35.7 | Very low | 108 Ų | 108 | 151.6 Ų | 151.6 | 66% | 0.663 | 78% | 0.78 | S | S | * | * | trans | -97.7 | 146.3 | 169.8 | 37.5 | 0 | 0 | 0 | 0 | 109.1 | E37 | E37-T39 VanDerWaalsContact C-N 3.32Å; E37-T39 HydrophobicContact CB-CG2 4.35Å; E37-T39 PolarHBondContact O-N 3.12Å | ||
| 40 | V | 30 | Very low | 36.4 | Very low | 109 Ų | 109 | 146.8 Ų | 146.8 | 66% | 0.661 | 77% | 0.765 | S | S | * | * | S | Bend | trans | 89.5 | 61.9 | 170.4 | -157.1 | 0 | 0 | 0 | 0 | 116.2 | ||
| 41 | F | 33.5 | Very low | 36.6 | Very low | 158 Ų | 158 | 143.7 Ų | 143.7 | 69% | 0.693 | 75% | 0.753 | S | S | * | * | -170.5 | 55.4 | 125.4 | -100.7 | -72.3 | 0 | 0 | 0 | 108.1 | E43 | F41-E43 PolarHBondContact O-N 3.23Š| |||
| 42 | T | 31.8 | Very low | 37.3 | Very low | 128 Ų | 128 | 142.5 Ų | 142.5 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | trans | -93.2 | 76.5 | 166.9 | 25.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 43 | E | 42.4 | Very low | 37.7 | Very low | 144 Ų | 144 | 138.1 Ų | 138.1 | 67% | 0.673 | 75% | 0.746 | S | S | * | * | trans | -70.4 | 120.2 | 136.3 | -81.8 | -167.5 | 146.3 | 0 | 0 | 104.6 | F41 L45 | F41-E43 PolarHBondContact O-N 3.23Å; E43-L45 PolarHBondContact O-N 2.95Å | ||
| 44 | E | 35.8 | Very low | 39 | Very low | 184 Ų | 184 | 140.4 Ų | 140.4 | 86% | 0.86 | 75% | 0.75 | S | S | * | * | trans | -46.4 | 97.7 | 174.6 | -67.8 | 173.3 | 139.3 | 0 | 0 | 109.7 | ||||
| 45 | L | 48.2 | Very low | 40.5 | Very low | 93 Ų | 93 | 137 Ų | 137 | 49% | 0.487 | 73% | 0.732 | S | S | . | * | trans | -94.1 | 98.3 | 166.7 | -93.8 | 161.2 | 0 | 0 | 0 | 105.1 | E43 H47 | E43-L45 PolarHBondContact O-N 2.95Å; L45-H47 PolarHBondContact O-N 3.2Å; L45-H47 VanDerWaalsContact O-N 3.12Å | ||
| 46 | D | 38.1 | Very low | 42.2 | Very low | 147 Ų | 147 | 134.8 Ų | 134.8 | 79% | 0.786 | 72% | 0.716 | S | S | * | * | trans | -42 | 119.6 | 172.2 | -66.9 | -44.4 | 0 | 0 | 0 | 109.9 | E48 | D46-E48 PolarHBondContact O-N 3.16Š| ||
| 47 | H | 40.1 | Very low | 43.4 | Very low | 200 Ų | 200 | 130.1 Ų | 130.1 | 93% | 0.926 | 69% | 0.688 | S | S | * | * | trans | -68.7 | 82 | 174.2 | -85 | -69.8 | 0 | 0 | 0 | 109.4 | L45 | L45-H47 PolarHBondContact O-N 3.2Å; L45-H47 VanDerWaalsContact O-N 3.12Å | ||
| 48 | E | 45 | Very low | 44.9 | Very low | 164 Ų | 164 | 130 Ų | 130 | 77% | 0.766 | 69% | 0.688 | S | S | * | * | trans | -86.8 | 116.6 | 153.6 | -76.2 | -164.7 | 131.1 | 0 | 0 | 108.5 | D46 V50 | D46-E48 PolarHBondContact O-N 3.16Å; E48-V50 VanDerWaalsContact C-N 3.35Å; E48-V50 HydrophobicContact CB-CG2 4.07Å; E48-V50 PolarHBondContact O-N 2.98Å | ||
| 49 | E | 42 | Very low | 46.3 | Very low | 206 Ų | 206 | 122.3 Ų | 122.3 | 96% | 0.963 | 65% | 0.65 | S | S | * | * | trans | -58.4 | 95.8 | 164.2 | -79.3 | -173.5 | 141.4 | 0 | 0 | 108.8 | ||||
| 50 | V | 48.4 | Very low | 47.5 | Very low | 98 Ų | 98 | 117.8 Ų | 117.8 | 59% | 0.594 | 62% | 0.623 | S | S | * | * | trans | -105.7 | 116.8 | 175 | -180 | 0 | 0 | 0 | 0 | 108.7 | E48 | E48-V50 VanDerWaalsContact C-N 3.35Å; E48-V50 HydrophobicContact CB-CG2 4.07Å; E48-V50 PolarHBondContact O-N 2.98Å | ||
| 51 | G | 40.4 | Very low | 48.6 | Very low | 56 Ų | 56 | 116.6 Ų | 116.6 | 58% | 0.577 | 62% | 0.619 | S | S | * | * | trans | -51.7 | 145.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A53 | G51-A53 PolarHBondContact O-N 3.46Š| ||
| 52 | T | 46.5 | Very low | 49.4 | Very low | 139 Ų | 139 | 116.6 Ų | 116.6 | 85% | 0.853 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -67.7 | 23.1 | -174.5 | 42.7 | 0 | 0 | 0 | 0 | 115.3 | ||
| 53 | A | 46.7 | Very low | 49.9 | Very low | 88 Ų | 88 | 115.5 Ų | 115.5 | 73% | 0.727 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -99.9 | 105.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | G51 | G51-A53 PolarHBondContact O-N 3.46Š|
| 54 | D | 58 | Low | 49.7 | Very low | 149 Ų | 149 | 119.7 Ų | 119.7 | 80% | 0.797 | 61% | 0.612 | S | S | * | * | trans | 61.8 | 59.3 | 157.6 | -126.9 | -0.2 | 0 | 0 | 0 | 116.8 | K56 | D54-K56 PolarHBondContact O-N 3.35Š| ||
| 55 | L | 62.8 | Low | 49.6 | Very low | 80 Ų | 80 | 113.8 Ų | 113.8 | 42% | 0.419 | 60% | 0.6 | S | S | . | * | trans | -69.1 | 90.6 | 168.9 | -79.4 | 163.3 | 0 | 0 | 0 | 110.5 | Y83 | L55-Y83 HydrophobicContact CB-CE2 4.48Å; L55-Y83 VanDerWaalsContact O-CE2 3.3Å; L55-Y83 WeakPolarHBondContact O-CE2 3.1Å; L55-Y83 PolarHBondContact O-OH 3.49Å | ||
| 56 | K | 66.9 | Low | 48.7 | Very low | 119 Ų | 119 | 116.5 Ų | 116.5 | 52% | 0.517 | 62% | 0.615 | S | S | . | * | trans | -85 | 131.5 | 168.8 | -175.9 | 169.4 | -177.5 | 177.2 | 0 | 109.9 | D54 E58 S60 | D54-K56 PolarHBondContact O-N 3.35Å; K56-E58 PolarHBondContact O-N 3.28Å; K56-S60 WeakPolarHBondContact CE-OG 2.98Å; K56-S60 WeakPolarHBondContact CG-OG 3.37Å | ||
| 57 | P | 57.9 | Low | 48.8 | Very low | 4 Ų | 4 | 118.4 Ų | 118.4 | 3% | 0.026 | 62% | 0.619 | C | S | . | * | trans | -61 | 132.3 | 179.6 | -4.2 | 9.4 | 0 | 0 | 0 | 110.5 | W59 S60 Y83 | P57-W59 HydrophobicContact CB-CD2 4.27Å; P57-W59 HydrophobicContact CB-CG 4.21Å; P57-W59 HydrophobicContact CB-CZ2 4.32Å; P57-W59 PolarHBondContact O-N 3.1Å; P57-W59 VanDerWaalsContact O-N 3.08Å; P57-S60 VanDerWaalsContact O-CB 3.3Å; P57-S60 WeakPolarHBondContact O-CB 3.38Å; P57-S60 PolarHBondContact O-N 3.16Å; P57-S60 PolarHBondContact O-OG 2.98Å; P57-Y83 HydrophobicContact CB-CD2 3.92Å; P57-Y83 HydrophobicContact CB-CE2 4.05Å; P57-Y83 HydrophobicContact CB-CG 4.43Å; P57-Y83 HydrophobicContact CG-CD2 4.03Å; P57-Y83 HydrophobicContact CG-CE1 4.38Å; P57-Y83 HydrophobicContact CG-CE2 3.72Å; P57-Y83 HydrophobicContact CG-CG 4.48Å | ||
| 58 | E | 65.4 | Low | 48.6 | Very low | 155 Ų | 155 | 116.1 Ų | 116.1 | 72% | 0.724 | 62% | 0.619 | S | S | * | * | G | 310 helix | trans | -54.4 | -35.8 | -177.4 | -166.7 | -163.6 | 140.6 | 0 | 0 | 112.4 | K56 S60 K62 | K56-E58 PolarHBondContact O-N 3.28Å; E58-S60 VanDerWaalsContact C-N 3.32Å; E58-S60 PolarHBondContact O-N 3.36Å; E58-K62 IonicContact OE1-NZ 3.49Å |
| 59 | W | 62.9 | Low | 48.2 | Very low | 39 Ų | 39 | 111.2 Ų | 111.2 | 15% | 0.148 | 61% | 0.612 | C | S | . | * | G | 310 helix | trans | -73.6 | -19 | 178.5 | 55.3 | -79.5 | 0 | 0 | 0 | 114 | P57 S61 K62 P75 V80 L109 Y128 | P57-W59 HydrophobicContact CB-CD2 4.27Å; P57-W59 HydrophobicContact CB-CG 4.21Å; P57-W59 HydrophobicContact CB-CZ2 4.32Å; P57-W59 PolarHBondContact O-N 3.1Å; P57-W59 VanDerWaalsContact O-N 3.08Å; W59-S61 VanDerWaalsContact C-N 3.29Å; W59-S61 PolarHBondContact O-N 2.86Å; W59-K62 PolarHBondContact O-N 2.87Å; W59-P75 HydrophobicContact CD2-CB 3.54Å; W59-P75 HydrophobicContact CD2-CG 4.16Å; W59-P75 HydrophobicContact CE3-CB 3.51Å; W59-P75 HydrophobicContact CE3-CG 3.76Å; W59-P75 HydrophobicContact CG-CB 4.17Å; W59-P75 HydrophobicContact CH2-CB 3.99Å; W59-P75 HydrophobicContact CH2-CG 3.5Å; W59-P75 HydrophobicContact CZ2-CB 3.98Å; W59-P75 HydrophobicContact CZ2-CG 3.88Å; W59-P75 HydrophobicContact CZ3-CB 3.77Å; W59-P75 HydrophobicContact CZ3-CG 3.44Å; W59-P75 VanDerWaalsContact CZ3-CG 3.44Å; W59-V80 HydrophobicContact CH2-CG2 4.36Å; W59-V80 HydrophobicContact CZ2-CG2 3.95Å; W59-L109 HydrophobicContact CH2-CD2 4.37Å; W59-L109 HydrophobicContact CZ2-CD2 4.07Å; W59-Y128 AromaticContact CH2-CE2 3.65Å; W59-Y128 HydrophobicContact CH2-CE2 3.65Å; W59-Y128 AromaticContact CH2-CZ 3.71Å; W59-Y128 WeakPolarHBondContact CH2-OH 3.22Å; W59-Y128 HydrophobicContact CZ3-CE2 4.1Å; W59-Y128 AromaticContact CZ3-CZ 3.72Å; W59-Y128 WeakPolarHBondContact CZ3-OH 3.3Å |
| 60 | S | 55.2 | Low | 48 | Very low | 13 Ų | 13 | 110.4 Ų | 110.4 | 9% | 0.091 | 61% | 0.608 | C | S | . | * | G | 310 helix | trans | -70.2 | -26 | 177.4 | 72.1 | 0 | 0 | 0 | 0 | 112.4 | K56 P57 E58 K62 | K56-S60 WeakPolarHBondContact CE-OG 2.98Å; K56-S60 WeakPolarHBondContact CG-OG 3.37Å; P57-S60 VanDerWaalsContact O-CB 3.3Å; P57-S60 WeakPolarHBondContact O-CB 3.38Å; P57-S60 PolarHBondContact O-N 3.16Å; P57-S60 PolarHBondContact O-OG 2.98Å; E58-S60 VanDerWaalsContact C-N 3.32Å; E58-S60 PolarHBondContact O-N 3.36Å; S60-K62 VanDerWaalsContact C-N 3.33Å |
| 61 | S | 53.3 | Low | 47.5 | Very low | 85 Ų | 85 | 111.6 Ų | 111.6 | 59% | 0.594 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -76.5 | -18.2 | 176 | -66.8 | 0 | 0 | 0 | 0 | 113.3 | W59 | W59-S61 VanDerWaalsContact C-N 3.29Å; W59-S61 PolarHBondContact O-N 2.86Å |
| 62 | K | 49 | Very low | 47.7 | Very low | 158 Ų | 158 | 114.2 Ų | 114.2 | 69% | 0.687 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -86 | -4.5 | -178.1 | -72.8 | 178 | -179.2 | 163.2 | 0 | 114.3 | E58 W59 S60 | E58-K62 IonicContact OE1-NZ 3.49Å; W59-K62 PolarHBondContact O-N 2.87Å; S60-K62 VanDerWaalsContact C-N 3.33Å |
| 63 | R | 43.8 | Very low | 48.4 | Very low | 104 Ų | 104 | 115 Ų | 115 | 39% | 0.392 | 62% | 0.621 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.4 | 5.8 | -165.9 | -86 | -161 | -168.7 | 164.3 | 11.5 | 119.1 | Y128 | R63-Y128 PolarHBondContact NH1-OH 3.14Å; R63-Y128 VanDerWaalsContact NH1-OH 3.13Å |
| 64 | Y | 37.2 | Very low | 49.4 | Very low | 232 Ų | 232 | 112.4 Ų | 112.4 | 91% | 0.91 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.7 | 12.8 | 173.6 | -74.8 | -81.6 | 0 | 0 | 0 | 114.4 | ||
| 65 | G | 34 | Very low | 50.4 | Low | 60 Ų | 60 | 106 Ų | 106 | 62% | 0.619 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -90 | 109.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | H67 | G65-H67 PolarHBondContact O-N 3.05Š|
| 66 | N | 30.2 | Very low | 51.6 | Low | 151 Ų | 151 | 106.6 Ų | 106.6 | 81% | 0.807 | 57% | 0.57 | S | S | * | * | trans | -33.9 | 105.6 | 171.8 | -84.7 | -26.9 | 0 | 0 | 0 | 114.3 | ||||
| 67 | H | 39.1 | Very low | 52.7 | Low | 187 Ų | 187 | 103 Ų | 103 | 87% | 0.866 | 55% | 0.554 | S | S | * | * | trans | -140 | 101.3 | 150.2 | -88 | -65 | 0 | 0 | 0 | 110.3 | G65 G69 | G65-H67 PolarHBondContact O-N 3.05Å; H67-G69 PolarHBondContact O-N 3.14Å | ||
| 68 | V | 35.3 | Very low | 54.3 | Low | 152 Ų | 152 | 104.8 Ų | 104.8 | 92% | 0.921 | 57% | 0.567 | S | S | * | * | trans | -66.6 | 106.7 | 162.2 | 177.3 | 0 | 0 | 0 | 0 | 107 | ||||
| 69 | G | 36.9 | Very low | 55.6 | Low | 60 Ų | 60 | 100.7 Ų | 100.7 | 62% | 0.619 | 55% | 0.55 | S | S | * | . | S | Bend | trans | 166.8 | 100.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | H67 N71 | H67-G69 PolarHBondContact O-N 3.14Å; G69-N71 PolarHBondContact O-N 3.11Å |
| 70 | H | 37.5 | Very low | 57.1 | Low | 190 Ų | 190 | 98.9 Ų | 98.9 | 88% | 0.88 | 54% | 0.543 | S | S | * | . | S | Bend | trans | 16.5 | 91.4 | 155 | -81 | -81.6 | 0 | 0 | 0 | 117.7 | ||
| 71 | N | 39 | Very low | 59 | Low | 123 Ų | 123 | 99.5 Ų | 99.5 | 66% | 0.658 | 55% | 0.545 | S | S | * | . | trans | 142.2 | 73.2 | 154 | -72.1 | -17.4 | 0 | 0 | 0 | 107.7 | G69 H73 | G69-N71 PolarHBondContact O-N 3.11Å; N71-H73 PolarHBondContact O-N 2.03Å | ||
| 72 | A | 45 | Very low | 60.9 | Low | 111 Ų | 111 | 100 Ų | 100 | 92% | 0.917 | 54% | 0.537 | S | S | * | . | trans | -70.8 | 70.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | G74 | A72-G74 PolarHBondContact O-N 3.1Å; A72-G74 VanDerWaalsContact O-N 3.16Å | ||
| 73 | H | 60.6 | Low | 63.1 | Low | 154 Ų | 154 | 94 Ų | 94 | 71% | 0.713 | 51% | 0.51 | S | S | * | . | trans | -69.8 | 109.2 | 170.3 | -72.5 | -25.6 | 0 | 0 | 0 | 106.8 | N71 | N71-H73 PolarHBondContact O-N 2.03Š| ||
| 74 | G | 66.8 | Low | 65.6 | Low | 34 Ų | 34 | 89.4 Ų | 89.4 | 35% | 0.351 | 49% | 0.493 | S | S | . | . | P | Polyproline II helix | trans | -51.5 | 171.6 | 157.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | A72 | A72-G74 PolarHBondContact O-N 3.1Å; A72-G74 VanDerWaalsContact O-N 3.16Å |
| 75 | P | 79.7 | Confident | 68.4 | Low | 14 Ų | 14 | 79.6 Ų | 79.6 | 9% | 0.091 | 46% | 0.46 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 155 | 177.9 | 38.3 | -27.1 | 0 | 0 | 0 | 108.9 | W59 V80 Y128 | W59-P75 HydrophobicContact CD2-CB 3.54Å; W59-P75 HydrophobicContact CD2-CG 4.16Å; W59-P75 HydrophobicContact CE3-CB 3.51Å; W59-P75 HydrophobicContact CE3-CG 3.76Å; W59-P75 HydrophobicContact CG-CB 4.17Å; W59-P75 HydrophobicContact CH2-CB 3.99Å; W59-P75 HydrophobicContact CH2-CG 3.5Å; W59-P75 HydrophobicContact CZ2-CB 3.98Å; W59-P75 HydrophobicContact CZ2-CG 3.88Å; W59-P75 HydrophobicContact CZ3-CB 3.77Å; W59-P75 HydrophobicContact CZ3-CG 3.44Å; W59-P75 VanDerWaalsContact CZ3-CG 3.44Å; P75-V80 HydrophobicContact CB-CG2 4.04Å; P75-V80 HydrophobicContact CG-CG2 3.53Å; P75-Y128 VanDerWaalsContact CD-CE2 3.49Å; P75-Y128 VanDerWaalsContact CD-CZ 3.43Å; P75-Y128 HydrophobicContact CG-CD1 4.05Å; P75-Y128 HydrophobicContact CG-CD2 3.24Å; P75-Y128 HydrophobicContact CG-CE1 3.97Å; P75-Y128 HydrophobicContact CG-CE2 3.16Å; P75-Y128 HydrophobicContact CG-CG 3.7Å |
| 76 | H | 87.2 | Confident | 71.3 | Confident | 94 Ų | 94 | 82.7 Ų | 82.7 | 44% | 0.435 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -70 | 146.8 | 172.7 | -161.8 | -104.8 | 0 | 0 | 0 | 109.4 | S78 D79 V80 K130 | H76-S78 PolarHBondContact ND1-N 3.36Å; H76-S78 PolarHBondContact ND1-OG 2.82Å; H76-S78 PolarHBondContact O-N 2.65Å; H76-S78 VanDerWaalsContact O-N 3.12Å; H76-D79 VanDerWaalsContact CB-OD2 3.31Å; H76-D79 WeakPolarHBondContact CB-OD2 3.27Å; H76-D79 PolarHBondContact N-OD2 3.07Å; H76-D79 WeakPolarHBondContact O-CB 3.27Å; H76-D79 PolarHBondContact O-N 3.03Å; H76-V80 PolarHBondContact O-N 3.19Å; H76-K130 PolarHBondContact NE2-NZ 3.49Å |
| 77 | K | 90.7 | Very high | 74.4 | Confident | 43 Ų | 43 | 75.8 Ų | 75.8 | 19% | 0.187 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -48.2 | -41.1 | 174.5 | 164.4 | -178.8 | 156.4 | -179.7 | 0 | 111.4 | D79 V80 L81 A127 K130 A131 V132 S156 | K77-D79 VanDerWaalsContact C-N 3.33Å; K77-D79 PolarHBondContact O-N 3.23Å; K77-V80 PolarHBondContact O-N 3.33Å; K77-L81 HydrophobicContact CG-CD1 3.9Å; K77-L81 HydrophobicContact CG-CG 4.39Å; K77-L81 WeakPolarHBondContact O-CG 3.41Å; K77-L81 PolarHBondContact O-N 3.41Å; K77-A127 HydrophobicContact CB-CB 4.42Å; K77-A127 HydrophobicContact CG-CB 4.35Å; K77-K130 HydrophobicContact CB-CB 4.18Å; K77-K130 HydrophobicContact CB-CD 3.94Å; K77-K130 HydrophobicContact CD-CB 3.98Å; K77-A131 PolarHBondContact NZ-O 2.82Å; K77-V132 HydrophobicContact CD-CG2 4.16Å; K77-V132 HydrophobicContact CG-CG2 4.17Å; K77-S156 PolarHBondContact NZ-OG 3.06Å |
| 78 | S | 91.3 | Very high | 77.1 | Confident | 42 Ų | 42 | 68.7 Ų | 68.7 | 29% | 0.294 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.2 | -37.7 | 177.5 | 56 | 0 | 0 | 0 | 0 | 113.3 | H76 L81 K82 | H76-S78 PolarHBondContact ND1-N 3.36Å; H76-S78 PolarHBondContact ND1-OG 2.82Å; H76-S78 PolarHBondContact O-N 2.65Å; H76-S78 VanDerWaalsContact O-N 3.12Å; S78-L81 PolarHBondContact O-N 3.32Å; S78-K82 WeakPolarHBondContact O-CB 3.17Å; S78-K82 VanDerWaalsContact O-CG 3.24Å; S78-K82 WeakPolarHBondContact O-CG 3.46Å; S78-K82 PolarHBondContact O-N 3.14Å |
| 79 | D | 93 | Very high | 80.1 | Confident | 69 Ų | 69 | 65.1 Ų | 65.1 | 37% | 0.369 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -70.9 | -38.2 | -177.1 | -53 | -29 | 0 | 0 | 0 | 110.4 | H76 K77 Y83 | H76-D79 VanDerWaalsContact CB-OD2 3.31Å; H76-D79 WeakPolarHBondContact CB-OD2 3.27Å; H76-D79 PolarHBondContact N-OD2 3.07Å; H76-D79 WeakPolarHBondContact O-CB 3.27Å; H76-D79 PolarHBondContact O-N 3.03Å; K77-D79 VanDerWaalsContact C-N 3.33Å; K77-D79 PolarHBondContact O-N 3.23Å; D79-Y83 WeakPolarHBondContact O-CB 2.92Å; D79-Y83 PolarHBondContact O-N 3.46Å |
| 80 | V | 94.1 | Very high | 83 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.1 | -46.8 | 172.9 | -179.7 | 0 | 0 | 0 | 0 | 110.4 | W59 P75 H76 K77 K82 Y83 I84 L109 L110 A127 Y128 | W59-V80 HydrophobicContact CH2-CG2 4.36Å; W59-V80 HydrophobicContact CZ2-CG2 3.95Å; P75-V80 HydrophobicContact CB-CG2 4.04Å; P75-V80 HydrophobicContact CG-CG2 3.53Å; H76-V80 PolarHBondContact O-N 3.19Å; K77-V80 PolarHBondContact O-N 3.33Å; V80-K82 PolarHBondContact O-N 3.2Å; V80-Y83 WeakPolarHBondContact O-CB 3.38Å; V80-Y83 PolarHBondContact O-N 3.26Å; V80-I84 HydrophobicContact CG1-CD1 3.91Å; V80-I84 HydrophobicContact CG1-CG1 4.5Å; V80-I84 WeakPolarHBondContact O-CG1 3.23Å; V80-I84 PolarHBondContact O-N 2.97Å; V80-L109 HydrophobicContact CG1-CB 4.09Å; V80-L109 WeakPolarHBondContact CG1-O 3.29Å; V80-L110 HydrophobicContact CG1-CD2 4.28Å; V80-A127 HydrophobicContact CB-CB 4.19Å; V80-A127 HydrophobicContact CG1-CB 4.1Å; V80-A127 HydrophobicContact CG2-CB 4.45Å; V80-Y128 HydrophobicContact CG2-CD2 3.9Å; V80-Y128 HydrophobicContact CG2-CE2 3.99Å |
| 81 | L | 94.5 | Very high | 85.8 | Confident | 27 Ų | 27 | 56.7 Ų | 56.7 | 14% | 0.141 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.3 | -39.4 | 179.3 | -69.6 | 176.4 | 0 | 0 | 0 | 112.4 | K77 S78 Y83 I84 A85 V132 L250 L254 | K77-L81 HydrophobicContact CG-CD1 3.9Å; K77-L81 HydrophobicContact CG-CG 4.39Å; K77-L81 WeakPolarHBondContact O-CG 3.41Å; K77-L81 PolarHBondContact O-N 3.41Å; S78-L81 PolarHBondContact O-N 3.32Å; L81-Y83 VanDerWaalsContact C-N 3.31Å; L81-Y83 PolarHBondContact O-N 3.31Å; L81-I84 PolarHBondContact O-N 2.79Å; L81-A85 WeakPolarHBondContact O-CB 3.31Å; L81-A85 PolarHBondContact O-N 3.24Å; L81-V132 HydrophobicContact CD1-CG1 4.37Å; L81-V132 HydrophobicContact CD2-CG1 3.65Å; L81-V132 HydrophobicContact CD2-CG2 4.22Å; L81-L250 HydrophobicContact CB-CD2 4.08Å; L81-L250 HydrophobicContact CD2-CD1 4.36Å; L81-L250 HydrophobicContact CD2-CD2 4.48Å; L81-L254 HydrophobicContact CD2-CD1 4.48Å |
| 82 | K | 94.7 | Very high | 88.4 | Confident | 95 Ų | 95 | 51.6 Ų | 51.6 | 41% | 0.413 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.9 | -39.8 | 172.3 | -75.8 | 176 | -178.5 | -172.4 | 0 | 111.6 | S78 V80 K86 | S78-K82 WeakPolarHBondContact O-CB 3.17Å; S78-K82 VanDerWaalsContact O-CG 3.24Å; S78-K82 WeakPolarHBondContact O-CG 3.46Å; S78-K82 PolarHBondContact O-N 3.14Å; V80-K82 PolarHBondContact O-N 3.2Å; K82-K86 WeakPolarHBondContact O-CG 3.06Å; K82-K86 PolarHBondContact O-N 3.1Å |
| 83 | Y | 95.2 | Very high | 90.7 | Very high | 31 Ų | 31 | 49.5 Ų | 49.5 | 12% | 0.122 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.4 | -47 | 173.6 | -178.9 | -99.1 | 0 | 0 | 0 | 111.6 | L55 P57 D79 V80 L81 A85 K86 A87 F90 D103 L109 | L55-Y83 HydrophobicContact CB-CE2 4.48Å; L55-Y83 VanDerWaalsContact O-CE2 3.3Å; L55-Y83 WeakPolarHBondContact O-CE2 3.1Å; L55-Y83 PolarHBondContact O-OH 3.49Å; P57-Y83 HydrophobicContact CB-CD2 3.92Å; P57-Y83 HydrophobicContact CB-CE2 4.05Å; P57-Y83 HydrophobicContact CB-CG 4.43Å; P57-Y83 HydrophobicContact CG-CD2 4.03Å; P57-Y83 HydrophobicContact CG-CE1 4.38Å; P57-Y83 HydrophobicContact CG-CE2 3.72Å; P57-Y83 HydrophobicContact CG-CG 4.48Å; D79-Y83 WeakPolarHBondContact O-CB 2.92Å; D79-Y83 PolarHBondContact O-N 3.46Å; V80-Y83 WeakPolarHBondContact O-CB 3.38Å; V80-Y83 PolarHBondContact O-N 3.26Å; L81-Y83 VanDerWaalsContact C-N 3.31Å; L81-Y83 PolarHBondContact O-N 3.31Å; Y83-A85 VanDerWaalsContact C-N 3.31Å; Y83-A85 PolarHBondContact O-N 3.29Å; Y83-K86 PolarHBondContact O-N 2.75Å; Y83-K86 VanDerWaalsContact O-N 3.14Å; Y83-A87 HydrophobicContact CD1-CB 4.33Å; Y83-A87 HydrophobicContact CE1-CB 3.89Å; Y83-A87 HydrophobicContact CE2-CB 4.39Å; Y83-A87 WeakPolarHBondContact O-CB 3.27Å; Y83-A87 PolarHBondContact O-N 2.74Å; Y83-F90 HydrophobicContact CD1-CE1 4.45Å; Y83-F90 HydrophobicContact CE1-CE1 4.19Å; Y83-D103 HydrophobicContact CE1-CB 3.97Å; Y83-D103 WeakPolarHBondContact OH-CB 3.41Å; Y83-L109 HydrophobicContact CD1-CD1 3.91Å; Y83-L109 HydrophobicContact CD1-CD2 3.85Å; Y83-L109 HydrophobicContact CE1-CD1 3.78Å; Y83-L109 HydrophobicContact CE1-CD2 4.08Å |
| 84 | I | 95.5 | Very high | 92.1 | Very high | 8 Ų | 8 | 46.8 Ų | 46.8 | 4% | 0.041 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.2 | -39.2 | 178.4 | -68.1 | 168.4 | 0 | 0 | 0 | 111.5 | V80 L81 K86 F90 L109 L110 L250 K253 | V80-I84 HydrophobicContact CG1-CD1 3.91Å; V80-I84 HydrophobicContact CG1-CG1 4.5Å; V80-I84 WeakPolarHBondContact O-CG1 3.23Å; V80-I84 PolarHBondContact O-N 2.97Å; L81-I84 PolarHBondContact O-N 2.79Å; I84-K86 VanDerWaalsContact C-N 3.25Å; I84-K86 PolarHBondContact O-N 3.33Å; I84-F90 HydrophobicContact CB-CE1 4.49Å; I84-F90 HydrophobicContact CB-CZ 4.23Å; I84-F90 HydrophobicContact CG1-CE1 4.09Å; I84-F90 HydrophobicContact CG1-CZ 4.3Å; I84-F90 HydrophobicContact CG2-CE2 4.5Å; I84-F90 HydrophobicContact CG2-CZ 4.03Å; I84-L109 HydrophobicContact CG1-CD1 4.47Å; I84-L110 HydrophobicContact CD1-CD1 3.67Å; I84-L110 HydrophobicContact CD1-CD2 3.89Å; I84-L110 HydrophobicContact CD1-CG 3.74Å; I84-L250 HydrophobicContact CB-CD1 4.11Å; I84-L250 HydrophobicContact CG2-CD1 3.72Å; I84-K253 HydrophobicContact CG2-CD 4.42Å; I84-K253 WeakPolarHBondContact O-CD 3.28Å; I84-K253 PolarHBondContact O-NZ 3.16Å |
| 85 | A | 95.3 | Very high | 93.1 | Very high | 27 Ų | 27 | 48.6 Ų | 48.6 | 22% | 0.223 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58 | -40 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L81 Y83 L250 K253 | L81-A85 WeakPolarHBondContact O-CB 3.31Å; L81-A85 PolarHBondContact O-N 3.24Å; Y83-A85 VanDerWaalsContact C-N 3.31Å; Y83-A85 PolarHBondContact O-N 3.29Å; A85-L250 HydrophobicContact CB-CB 4.1Å; A85-L250 HydrophobicContact CB-CD1 4.35Å; A85-K253 PolarHBondContact O-NZ 2.76Å |
| 86 | K | 95.6 | Very high | 93.4 | Very high | 125 Ų | 125 | 51.9 Ų | 51.9 | 54% | 0.543 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -85.6 | -44.1 | -177.9 | -66.2 | -176.8 | 178.8 | -167.7 | 0 | 114.1 | K82 Y83 I84 | K82-K86 WeakPolarHBondContact O-CG 3.06Å; K82-K86 PolarHBondContact O-N 3.1Å; Y83-K86 PolarHBondContact O-N 2.75Å; Y83-K86 VanDerWaalsContact O-N 3.14Å; I84-K86 VanDerWaalsContact C-N 3.25Å; I84-K86 PolarHBondContact O-N 3.33Å |
| 87 | A | 95.7 | Very high | 93.3 | Very high | 5 Ų | 5 | 52.3 Ų | 52.3 | 4% | 0.041 | 30% | 0.301 | C | S | . | . | trans | -69.8 | 143.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y83 F90 K253 | Y83-A87 HydrophobicContact CD1-CB 4.33Å; Y83-A87 HydrophobicContact CE1-CB 3.89Å; Y83-A87 HydrophobicContact CE2-CB 4.39Å; Y83-A87 WeakPolarHBondContact O-CB 3.27Å; Y83-A87 PolarHBondContact O-N 2.74Å; A87-F90 HydrophobicContact CB-CE1 3.72Å; A87-F90 HydrophobicContact CB-CZ 3.64Å; A87-F90 WeakPolarHBondContact O-CZ 3.48Å; A87-K253 PolarHBondContact O-NZ 2.76Å | ||
| 88 | T | 96.6 | Very high | 93.3 | Very high | 38 Ų | 38 | 53.4 Ų | 53.4 | 23% | 0.233 | 31% | 0.308 | C | S | . | . | trans | -104.9 | -9.6 | -179 | 54.2 | 0 | 0 | 0 | 0 | 113 | K243 Y244 A246 | T88-K243 CarbonylContact O-C 3.54Å; T88-K243 WeakPolarHBondContact O-CA 3.23Å; T88-Y244 PolarHBondContact O-N 2.95Å; T88-A246 HydrophobicContact CG2-CB 4.17Å | ||
| 89 | Q | 97.3 | Very high | 93.4 | Very high | 77 Ų | 77 | 51.9 Ų | 51.9 | 36% | 0.36 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 136.6 | -176.5 | -58.8 | -172.3 | 35.1 | 0 | 0 | 111.3 | L104 L242 K243 | Q89-L104 HydrophobicContact CB-CD1 3.97Å; Q89-L104 HydrophobicContact CB-CD2 4.15Å; Q89-L104 HydrophobicContact CB-CG 4.18Å; Q89-L242 CarbonylContact C-O 3.59Å; Q89-L242 VanDerWaalsContact CA-O 3.29Å; Q89-L242 WeakPolarHBondContact CA-O 3.46Å; Q89-K243 HydrophobicContact CG-CG 4.17Å |
| 90 | F | 97.4 | Very high | 93.6 | Very high | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.018 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 163.3 | 178.3 | -52.3 | -77 | 0 | 0 | 0 | 109.3 | Y83 I84 A87 V101 T102 L109 I241 L242 Y244 | Y83-F90 HydrophobicContact CD1-CE1 4.45Å; Y83-F90 HydrophobicContact CE1-CE1 4.19Å; I84-F90 HydrophobicContact CB-CE1 4.49Å; I84-F90 HydrophobicContact CB-CZ 4.23Å; I84-F90 HydrophobicContact CG1-CE1 4.09Å; I84-F90 HydrophobicContact CG1-CZ 4.3Å; I84-F90 HydrophobicContact CG2-CE2 4.5Å; I84-F90 HydrophobicContact CG2-CZ 4.03Å; A87-F90 HydrophobicContact CB-CE1 3.72Å; A87-F90 HydrophobicContact CB-CZ 3.64Å; A87-F90 WeakPolarHBondContact O-CZ 3.48Å; F90-V101 HydrophobicContact CB-CG1 3.8Å; F90-V101 HydrophobicContact CG-CG1 4.27Å; F90-T102 CarbonylContact C-O 3.56Å; F90-T102 WeakPolarHBondContact CA-O 3.45Å; F90-T102 WeakPolarHBondContact CB-O 3.29Å; F90-L109 HydrophobicContact CD1-CD1 3.58Å; F90-L109 HydrophobicContact CE1-CD1 3.81Å; F90-I241 CarbonylContact O-C 3.47Å; F90-I241 WeakPolarHBondContact O-CA 3.35Å; F90-L242 HydrophobicContact CB-CB 4.46Å; F90-L242 PolarHBondContact N-O 3.27Å; F90-L242 PolarHBondContact O-N 3.07Å; F90-Y244 AromaticContact CD2-CD2 3.85Å; F90-Y244 HydrophobicContact CD2-CD2 3.85Å; F90-Y244 AromaticContact CD2-CE2 3.7Å; F90-Y244 HydrophobicContact CD2-CE2 3.7Å; F90-Y244 AromaticContact CE2-CD2 3.68Å; F90-Y244 HydrophobicContact CE2-CD2 3.68Å; F90-Y244 AromaticContact CE2-CE2 3.74Å; F90-Y244 HydrophobicContact CE2-CE2 3.74Å |
| 91 | R | 95.9 | Very high | 93.7 | Very high | 69 Ų | 69 | 50.2 Ų | 50.2 | 26% | 0.26 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 129.8 | 169.8 | -178.9 | -171.5 | -54.9 | -69.2 | -4.2 | 109.2 | V101 T102 D106 G240 I241 | R91-V101 CarbonylContact O-C 3.59Å; R91-V101 WeakPolarHBondContact O-CA 3.45Å; R91-T102 PolarHBondContact N-O 3.49Å; R91-T102 PolarHBondContact O-N 2.78Å; R91-D106 WeakPolarHBondContact CD-OD1 3.3Å; R91-D106 IonicContact NE-OD1 3.34Å; R91-D106 PolarHBondContact NE-OD1 3.32Å; R91-G240 CarbonylContact C-O 3.55Å; R91-G240 WeakPolarHBondContact CA-O 3.46Å; R91-I241 HydrophobicContact CB-CD1 4.17Å; R91-I241 HydrophobicContact CG-CD1 4.32Å; R91-I241 VanDerWaalsContact CZ-CD1 3.46Å |
| 92 | I | 95.2 | Very high | 93.8 | Very high | 17 Ų | 17 | 48.9 Ų | 48.9 | 9% | 0.087 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 128.7 | 168.6 | -59 | -179.3 | 0 | 0 | 0 | 107.4 | I99 L236 G240 L242 L257 V261 I264 | I92-I99 HydrophobicContact CG2-CG2 3.59Å; I92-L236 HydrophobicContact CD1-CD1 4.07Å; I92-G240 PolarHBondContact N-O 3.2Å; I92-L242 HydrophobicContact CD1-CB 4.35Å; I92-L242 HydrophobicContact CD1-CD2 4.1Å; I92-L242 HydrophobicContact CG1-CB 4.39Å; I92-L257 HydrophobicContact CD1-CD1 3.86Å; I92-L257 HydrophobicContact CG1-CD1 4.33Å; I92-V261 HydrophobicContact CD1-CG2 4.44Å; I92-I264 HydrophobicContact CD1-CD1 4.44Å |
| 93 | K | 92 | Very high | 93.8 | Very high | 66 Ų | 66 | 44.5 Ų | 44.5 | 29% | 0.287 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 145.7 | 174.7 | 60.6 | -179.3 | -174.8 | -173.1 | 0 | 110.6 | V95 I99 Q100 T102 | K93-V95 HydrophobicContact CD-CG2 4.26Å; K93-V95 HydrophobicContact CG-CG2 4.09Å; K93-I99 WeakPolarHBondContact O-CA 3.4Å; K93-Q100 HydrophobicContact CG-CB 4.11Å; K93-Q100 PolarHBondContact N-O 2.87Å; K93-Q100 PolarHBondContact O-N 2.81Å; K93-T102 HydrophobicContact CD-CG2 4.28Å; K93-T102 VanDerWaalsContact CE-CG2 3.47Å |
| 94 | S | 90.5 | Very high | 93.7 | Very high | 97 Ų | 97 | 47 Ų | 47 | 68% | 0.678 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 132.4 | 169 | -56 | 0 | 0 | 0 | 0 | 109.9 | D98 | S94-D98 CarbonylContact C-O 3.56Å; S94-D98 WeakPolarHBondContact CA-O 3.43Å |
| 95 | V | 87.8 | Confident | 93.6 | Very high | 73 Ų | 73 | 50.3 Ų | 50.3 | 44% | 0.442 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 97.8 | 177 | -176.3 | 0 | 0 | 0 | 0 | 108.1 | K93 S97 D98 Q100 | K93-V95 HydrophobicContact CD-CG2 4.26Å; K93-V95 HydrophobicContact CG-CG2 4.09Å; V95-S97 PolarHBondContact O-N 2.85Å; V95-D98 PolarHBondContact N-O 3.45Å; V95-D98 PolarHBondContact O-N 3.34Å; V95-D98 VanDerWaalsContact O-N 3.11Å; V95-Q100 HydrophobicContact CG2-CB 3.87Å |
| 96 | G | 86.7 | Confident | 93.3 | Very high | 83 Ų | 83 | 53 Ų | 53 | 86% | 0.856 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.5 | -123.3 | -171.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 97 | S | 84.7 | Confident | 93.2 | Very high | 103 Ų | 103 | 49.1 Ų | 49.1 | 72% | 0.72 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -10.2 | 173.4 | 50.5 | 0 | 0 | 0 | 0 | 114 | V95 | V95-S97 PolarHBondContact O-N 2.85Š|
| 98 | D | 91.1 | Very high | 93 | Very high | 65 Ų | 65 | 50.8 Ų | 50.8 | 35% | 0.348 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 166.6 | -167.5 | -54.4 | -8.5 | 0 | 0 | 0 | 109.3 | S94 V95 W113 | S94-D98 CarbonylContact C-O 3.56Å; S94-D98 WeakPolarHBondContact CA-O 3.43Å; V95-D98 PolarHBondContact N-O 3.45Å; V95-D98 PolarHBondContact O-N 3.34Å; V95-D98 VanDerWaalsContact O-N 3.11Å; D98-W113 HydrophobicContact CB-CB 4.34Å |
| 99 | I | 93.7 | Very high | 93 | Very high | 10 Ų | 10 | 49.1 Ų | 49.1 | 5% | 0.051 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 133.1 | 175.9 | -69.4 | 168.6 | 0 | 0 | 0 | 107.9 | I92 K93 I112 V261 T265 | I92-I99 HydrophobicContact CG2-CG2 3.59Å; K93-I99 WeakPolarHBondContact O-CA 3.4Å; I99-I112 HydrophobicContact CB-CB 4.16Å; I99-I112 HydrophobicContact CG2-CD1 4.31Å; I99-I112 PolarHBondContact N-O 3.33Å; I99-I112 WeakPolarHBondContact O-CA 2.77Å; I99-I112 PolarHBondContact O-N 3.33Å; I99-V261 HydrophobicContact CD1-CG1 3.64Å; I99-V261 HydrophobicContact CG2-CG2 4.33Å; I99-T265 HydrophobicContact CD1-CG2 3.38Å |
| 100 | Q | 95.5 | Very high | 93 | Very high | 31 Ų | 31 | 45.5 Ų | 45.5 | 15% | 0.145 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 134.4 | 176 | -175.6 | 168 | 81.9 | 0 | 0 | 109.6 | K93 V95 T102 P108 L110 D111 | K93-Q100 HydrophobicContact CG-CB 4.11Å; K93-Q100 PolarHBondContact N-O 2.87Å; K93-Q100 PolarHBondContact O-N 2.81Å; V95-Q100 HydrophobicContact CG2-CB 3.87Å; Q100-T102 HydrophobicContact CG-CG2 4.04Å; Q100-P108 HydrophobicContact CG-CB 4.39Å; Q100-L110 CarbonylContact C-O 3.54Å; Q100-L110 WeakPolarHBondContact CA-O 3.3Å; Q100-D111 WeakPolarHBondContact CG-OD1 3.05Å; Q100-D111 PolarHBondContact NE2-OD1 2.71Å |
| 101 | V | 96.8 | Very high | 92.9 | Very high | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.018 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 124.2 | 170.2 | -172.7 | 0 | 0 | 0 | 0 | 108.3 | F90 R91 L109 L110 I112 L257 | F90-V101 HydrophobicContact CB-CG1 3.8Å; F90-V101 HydrophobicContact CG-CG1 4.27Å; R91-V101 CarbonylContact O-C 3.59Å; R91-V101 WeakPolarHBondContact O-CA 3.45Å; V101-L109 WeakPolarHBondContact O-CB 3.44Å; V101-L109 PolarHBondContact O-N 2.98Å; V101-L110 HydrophobicContact CB-CB 4.04Å; V101-L110 HydrophobicContact CG2-CB 4.25Å; V101-L110 PolarHBondContact N-O 3.17Å; V101-L110 PolarHBondContact O-N 3.41Å; V101-L110 VanDerWaalsContact O-N 3.12Å; V101-I112 HydrophobicContact CG2-CD1 3.85Å; V101-L257 HydrophobicContact CG2-CD1 3.92Å; V101-L257 HydrophobicContact CG2-CD2 4.1Å |
| 102 | T | 96.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 164.4 | 177.1 | 66.8 | 0 | 0 | 0 | 0 | 111.4 | F90 R91 K93 Q100 N107 | F90-T102 CarbonylContact C-O 3.56Å; F90-T102 WeakPolarHBondContact CA-O 3.45Å; F90-T102 WeakPolarHBondContact CB-O 3.29Å; R91-T102 PolarHBondContact N-O 3.49Å; R91-T102 PolarHBondContact O-N 2.78Å; K93-T102 HydrophobicContact CD-CG2 4.28Å; K93-T102 VanDerWaalsContact CE-CG2 3.47Å; Q100-T102 HydrophobicContact CG-CG2 4.04Å; T102-N107 WeakPolarHBondContact CA-O 3.27Å; T102-N107 WeakPolarHBondContact CB-O 3.24Å |
| 103 | D | 95 | Very high | 92.9 | Very high | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.011 | 28% | 0.284 | C | S | . | . | trans | -70.5 | 179.8 | 158.9 | 69.8 | 12.2 | 0 | 0 | 0 | 110.9 | Y83 C105 D106 N107 L109 | Y83-D103 HydrophobicContact CE1-CB 3.97Å; Y83-D103 WeakPolarHBondContact OH-CB 3.41Å; D103-C105 PolarHBondContact O-N 2.82Å; D103-C105 VanDerWaalsContact OD1-C 3.23Å; D103-C105 VanDerWaalsContact OD1-CA 3.29Å; D103-C105 WeakPolarHBondContact OD1-CA 3.5Å; D103-C105 WeakPolarHBondContact OD1-CB 3.36Å; D103-C105 PolarHBondContact OD1-N 2.86Å; D103-D106 PolarHBondContact O-N 3.07Å; D103-D106 VanDerWaalsContact O-N 3.15Å; D103-D106 PolarHBondContact OD1-N 3.37Å; D103-N107 PolarHBondContact N-O 2.91Å; D103-N107 VanDerWaalsContact N-O 3.13Å; D103-N107 WeakPolarHBondContact OD1-CB 3.47Å; D103-N107 PolarHBondContact OD1-N 3.37Å; D103-N107 PolarHBondContact OD1-ND2 3.03Å; D103-N107 WeakPolarHBondContact OD2-CB 3.23Å; D103-N107 PolarHBondContact OD2-ND2 3.06Å; D103-L109 HydrophobicContact CB-CD1 4.22Å | ||
| 104 | L | 93.2 | Very high | 92.9 | Very high | 83 Ų | 83 | 46.9 Ų | 46.9 | 44% | 0.435 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -12.7 | 178.2 | -61.6 | -177.2 | 0 | 0 | 0 | 113.8 | Q89 D106 I241 | Q89-L104 HydrophobicContact CB-CD1 3.97Å; Q89-L104 HydrophobicContact CB-CD2 4.15Å; Q89-L104 HydrophobicContact CB-CG 4.18Å; L104-D106 VanDerWaalsContact C-N 3.33Å; L104-I241 HydrophobicContact CD2-CD1 4.01Å; L104-I241 HydrophobicContact CD2-CG2 4.49Å |
| 105 | C | 92.7 | Very high | 92.9 | Very high | 78 Ų | 78 | 47.8 Ų | 47.8 | 53% | 0.527 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 11.8 | 173.6 | -67.1 | 0 | 0 | 0 | 0 | 112.3 | D103 N107 | D103-C105 PolarHBondContact O-N 2.82Å; D103-C105 VanDerWaalsContact OD1-C 3.23Å; D103-C105 VanDerWaalsContact OD1-CA 3.29Å; D103-C105 WeakPolarHBondContact OD1-CA 3.5Å; D103-C105 WeakPolarHBondContact OD1-CB 3.36Å; D103-C105 PolarHBondContact OD1-N 2.86Å; C105-N107 PolarHBondContact O-N 2.89Å |
| 106 | D | 90.9 | Very high | 92.8 | Very high | 83 Ų | 83 | 47 Ų | 47 | 44% | 0.444 | 27% | 0.272 | S | S | . | . | trans | 61.5 | 20.4 | -177.7 | -60.5 | -43.4 | 0 | 0 | 0 | 115 | R91 D103 L104 | R91-D106 WeakPolarHBondContact CD-OD1 3.3Å; R91-D106 IonicContact NE-OD1 3.34Å; R91-D106 PolarHBondContact NE-OD1 3.32Å; D103-D106 PolarHBondContact O-N 3.07Å; D103-D106 VanDerWaalsContact O-N 3.15Å; D103-D106 PolarHBondContact OD1-N 3.37Å; L104-D106 VanDerWaalsContact C-N 3.33Å | ||
| 107 | N | 91.5 | Very high | 92.5 | Very high | 45 Ų | 45 | 47.4 Ų | 47.4 | 24% | 0.241 | 26% | 0.255 | C | S | . | . | trans | -71.4 | 127.7 | 169.9 | -61.4 | -63.5 | 0 | 0 | 0 | 109.5 | T102 D103 C105 L109 | T102-N107 WeakPolarHBondContact CA-O 3.27Å; T102-N107 WeakPolarHBondContact CB-O 3.24Å; D103-N107 PolarHBondContact N-O 2.91Å; D103-N107 VanDerWaalsContact N-O 3.13Å; D103-N107 WeakPolarHBondContact OD1-CB 3.47Å; D103-N107 PolarHBondContact OD1-N 3.37Å; D103-N107 PolarHBondContact OD1-ND2 3.03Å; D103-N107 WeakPolarHBondContact OD2-CB 3.23Å; D103-N107 PolarHBondContact OD2-ND2 3.06Å; C105-N107 PolarHBondContact O-N 2.89Å; N107-L109 PolarHBondContact O-N 2.95Å | ||
| 108 | P | 92.6 | Very high | 92 | Very high | 40 Ų | 40 | 45.1 Ų | 45.1 | 26% | 0.26 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 129.9 | 180 | 27.2 | -32.7 | 0 | 0 | 0 | 111.1 | Q100 Y128 | Q100-P108 HydrophobicContact CG-CB 4.39Å; P108-Y128 VanDerWaalsContact O-CE2 3.28Å; P108-Y128 WeakPolarHBondContact O-CE2 3.43Å; P108-Y128 PolarHBondContact O-OH 3.33Å |
| 109 | L | 96.1 | Very high | 91.4 | Very high | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | -56.5 | 178.3 | -57.1 | 176.6 | 0 | 0 | 0 | 110.2 | W59 V80 Y83 I84 F90 V101 D103 N107 | W59-L109 HydrophobicContact CH2-CD2 4.37Å; W59-L109 HydrophobicContact CZ2-CD2 4.07Å; V80-L109 HydrophobicContact CG1-CB 4.09Å; V80-L109 WeakPolarHBondContact CG1-O 3.29Å; Y83-L109 HydrophobicContact CD1-CD1 3.91Å; Y83-L109 HydrophobicContact CD1-CD2 3.85Å; Y83-L109 HydrophobicContact CE1-CD1 3.78Å; Y83-L109 HydrophobicContact CE1-CD2 4.08Å; I84-L109 HydrophobicContact CG1-CD1 4.47Å; F90-L109 HydrophobicContact CD1-CD1 3.58Å; F90-L109 HydrophobicContact CE1-CD1 3.81Å; V101-L109 WeakPolarHBondContact O-CB 3.44Å; V101-L109 PolarHBondContact O-N 2.98Å; D103-L109 HydrophobicContact CB-CD1 4.22Å; N107-L109 PolarHBondContact O-N 2.95Å |
| 110 | L | 97.2 | Very high | 91 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 142.2 | -179.2 | -54.4 | 172.2 | 0 | 0 | 0 | 110.8 | V80 I84 Q100 V101 V125 E126 A127 V132 L254 L257 | V80-L110 HydrophobicContact CG1-CD2 4.28Å; I84-L110 HydrophobicContact CD1-CD1 3.67Å; I84-L110 HydrophobicContact CD1-CD2 3.89Å; I84-L110 HydrophobicContact CD1-CG 3.74Å; Q100-L110 CarbonylContact C-O 3.54Å; Q100-L110 WeakPolarHBondContact CA-O 3.3Å; V101-L110 HydrophobicContact CB-CB 4.04Å; V101-L110 HydrophobicContact CG2-CB 4.25Å; V101-L110 PolarHBondContact N-O 3.17Å; V101-L110 PolarHBondContact O-N 3.41Å; V101-L110 VanDerWaalsContact O-N 3.12Å; L110-V125 HydrophobicContact CB-CG1 4.15Å; L110-V125 HydrophobicContact CD1-CG1 3.84Å; L110-V125 HydrophobicContact CD2-CG1 4.13Å; L110-V125 HydrophobicContact CG-CG1 4.27Å; L110-E126 CarbonylContact C-O 3.57Å; L110-E126 VanDerWaalsContact CA-O 3.23Å; L110-E126 WeakPolarHBondContact CA-O 3.27Å; L110-A127 HydrophobicContact CD2-CB 3.83Å; L110-V132 HydrophobicContact CD2-CG2 4.41Å; L110-L254 HydrophobicContact CD1-CD2 4.4Å; L110-L257 HydrophobicContact CD1-CD2 3.72Å |
| 111 | D | 95.9 | Very high | 90.7 | Very high | 56 Ų | 56 | 46.4 Ų | 46.4 | 30% | 0.299 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 137.2 | 165 | -62 | -50.8 | 0 | 0 | 0 | 108.3 | Q100 E126 | Q100-D111 WeakPolarHBondContact CG-OD1 3.05Å; Q100-D111 PolarHBondContact NE2-OD1 2.71Å; D111-E126 PolarHBondContact N-O 3.06Å; D111-E126 PolarHBondContact O-N 3.46Å |
| 112 | I | 96.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 119.5 | -176.7 | -50.1 | 175.1 | 0 | 0 | 0 | 107.7 | I99 V101 W123 T124 V125 L257 M258 V261 | I99-I112 HydrophobicContact CB-CB 4.16Å; I99-I112 HydrophobicContact CG2-CD1 4.31Å; I99-I112 PolarHBondContact N-O 3.33Å; I99-I112 WeakPolarHBondContact O-CA 2.77Å; I99-I112 PolarHBondContact O-N 3.33Å; V101-I112 HydrophobicContact CG2-CD1 3.85Å; I112-W123 HydrophobicContact CG2-CE3 4.14Å; I112-T124 WeakPolarHBondContact CA-O 3.28Å; I112-V125 HydrophobicContact CG1-CG1 4.23Å; I112-V125 HydrophobicContact CG1-CG2 4.21Å; I112-V125 HydrophobicContact CG2-CG2 4.33Å; I112-L257 HydrophobicContact CD1-CD2 4.3Å; I112-L257 HydrophobicContact CD1-CG 4.39Å; I112-M258 HydrophobicContact CD1-SD 4.36Å; I112-M258 HydrophobicContact CG2-CE 4.34Å; I112-M258 HydrophobicContact CG2-SD 4.16Å; I112-V261 HydrophobicContact CD1-CG2 3.79Å; I112-V261 HydrophobicContact CG2-CG1 4.16Å |
| 113 | W | 94.3 | Very high | 90.3 | Very high | 51 Ų | 51 | 47.5 Ų | 47.5 | 19% | 0.193 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 168.4 | -179.2 | 53.1 | -94.3 | 0 | 0 | 0 | 109.2 | D98 Q115 W123 T124 E126 | D98-W113 HydrophobicContact CB-CB 4.34Å; W113-Q115 HydrophobicContact CE3-CG 4.1Å; W113-Q115 HydrophobicContact CZ3-CB 4.42Å; W113-Q115 VanDerWaalsContact CZ3-CD 3.45Å; W113-Q115 HydrophobicContact CZ3-CG 3.58Å; W113-W123 CarbonylContact O-C 3.54Å; W113-W123 WeakPolarHBondContact O-CA 3.5Å; W113-T124 HydrophobicContact CH2-CG2 4.29Å; W113-T124 HydrophobicContact CZ2-CG2 3.93Å; W113-T124 PolarHBondContact N-O 2.95Å; W113-T124 VanDerWaalsContact N-O 3.14Å; W113-T124 PolarHBondContact O-N 2.81Å; W113-E126 HydrophobicContact CZ2-CG 4.49Å; W113-E126 VanDerWaalsContact NE1-CD 3.27Å; W113-E126 PolarHBondContact NE1-OE2 3.5Å |
| 114 | Y | 92.9 | Very high | 90.3 | Very high | 79 Ų | 79 | 47.8 Ų | 47.8 | 31% | 0.31 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 154.2 | 175.2 | 70 | -90.9 | 0 | 0 | 0 | 112.5 | L116 R121 V122 W123 | Y114-L116 HydrophobicContact CD2-CD2 4.19Å; Y114-L116 HydrophobicContact CD2-CG 4.21Å; Y114-L116 HydrophobicContact CE2-CD1 4.41Å; Y114-L116 HydrophobicContact CE2-CD2 4.05Å; Y114-L116 HydrophobicContact CE2-CG 3.95Å; Y114-R121 HydrophobicContact CD2-CG 3.53Å; Y114-R121 HydrophobicContact CE2-CG 4.27Å; Y114-R121 HydrophobicContact CG-CG 3.8Å; Y114-V122 CarbonylContact C-O 3.6Å; Y114-V122 WeakPolarHBondContact CA-O 3.37Å; Y114-V122 WeakPolarHBondContact CB-O 3.29Å; Y114-W123 HydrophobicContact CD1-CD2 4.34Å; Y114-W123 AromaticContact CD1-CE3 3.93Å; Y114-W123 HydrophobicContact CD1-CE3 3.93Å; Y114-W123 AromaticContact CD1-CH2 3.52Å; Y114-W123 HydrophobicContact CD1-CH2 3.52Å; Y114-W123 HydrophobicContact CD1-CZ2 4Å; Y114-W123 AromaticContact CD1-CZ3 3.5Å; Y114-W123 HydrophobicContact CD1-CZ3 3.5Å; Y114-W123 AromaticContact CE1-CH2 3.99Å; Y114-W123 HydrophobicContact CE1-CH2 3.99Å; Y114-W123 HydrophobicContact CE1-CZ3 4.3Å; Y114-W123 HydrophobicContact CG-CD2 4.37Å; Y114-W123 HydrophobicContact CG-CE3 4.31Å; Y114-W123 HydrophobicContact CG-CH2 4.36Å; Y114-W123 HydrophobicContact CG-CZ2 4.46Å; Y114-W123 HydrophobicContact CG-CZ3 4.3Å |
| 115 | Q | 89.5 | Confident | 90.5 | Very high | 115 Ų | 115 | 43.9 Ų | 43.9 | 54% | 0.537 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 145.4 | 166.7 | -76.2 | 170.6 | 15.3 | 0 | 0 | 109.4 | W113 V122 | W113-Q115 HydrophobicContact CE3-CG 4.1Å; W113-Q115 HydrophobicContact CZ3-CB 4.42Å; W113-Q115 VanDerWaalsContact CZ3-CD 3.45Å; W113-Q115 HydrophobicContact CZ3-CG 3.58Å; Q115-V122 PolarHBondContact N-O 2.83Å; Q115-V122 PolarHBondContact O-N 2.11Å |
| 116 | L | 85.1 | Confident | 90.7 | Very high | 58 Ų | 58 | 42.1 Ų | 42.1 | 30% | 0.304 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 123.4 | 173.7 | -65.7 | 173.6 | 0 | 0 | 0 | 108.9 | Y114 R121 L139 | Y114-L116 HydrophobicContact CD2-CD2 4.19Å; Y114-L116 HydrophobicContact CD2-CG 4.21Å; Y114-L116 HydrophobicContact CE2-CD1 4.41Å; Y114-L116 HydrophobicContact CE2-CD2 4.05Å; Y114-L116 HydrophobicContact CE2-CG 3.95Å; L116-R121 HydrophobicContact CD2-CB 3.83Å; L116-R121 HydrophobicContact CD2-CG 3.93Å; L116-L139 HydrophobicContact CD2-CD2 4.14Å |
| 117 | N | 81.3 | Confident | 90.9 | Very high | 91 Ų | 91 | 38.1 Ų | 38.1 | 49% | 0.487 | 19% | 0.194 | S | C | . | . | trans | -103.9 | -178 | 165.1 | -68.3 | -16.2 | 0 | 0 | 0 | 109.3 | T119 F120 L139 | N117-T119 VanDerWaalsContact C-N 3.26Å; N117-T119 PolarHBondContact O-N 2.74Å; N117-F120 PolarHBondContact N-O 2.97Å; N117-L139 WeakPolarHBondContact O-CD1 3.39Å | ||
| 118 | C | 73.8 | Confident | 90.9 | Very high | 55 Ų | 55 | 39.1 Ų | 39.1 | 37% | 0.372 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -62 | -33.4 | -179.7 | -70.1 | 0 | 0 | 0 | 0 | 113.7 | C142 C284 | C118-C142 PolarHBondContact O-SG 3.46Å; C118-C284 WeakPolarHBondContact CA-SG 3.31Å; C118-C284 HydrophobicContact CB-CB 4.13Å; C118-C284 WeakPolarHBondContact CB-SG 3.08Å; C118-C284 VanDerWaalsContact SG-CA 3.55Å; C118-C284 WeakPolarHBondContact SG-CB 3.4Å; C118-C284 CovalentContact SG-SG 2.03Å; C118-C284 PolarHBondContact SG-SG 3.06Å |
| 119 | T | 79.3 | Confident | 90.8 | Very high | 59 Ų | 59 | 40 Ų | 40 | 36% | 0.362 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -114 | -26 | -172 | -43.8 | 0 | 0 | 0 | 0 | 112.7 | N117 L139 L146 | N117-T119 VanDerWaalsContact C-N 3.26Å; N117-T119 PolarHBondContact O-N 2.74Å; T119-L139 PolarHBondContact O-N 3.06Å; T119-L146 HydrophobicContact CG2-CD1 4.13Å |
| 120 | F | 84.4 | Confident | 90.6 | Very high | 37 Ų | 37 | 44.6 Ų | 44.6 | 16% | 0.162 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 147.1 | -171.7 | -59.7 | -83.2 | 0 | 0 | 0 | 111.5 | L18 N117 V122 N136 D137 P138 | L18-F120 HydrophobicContact CD1-CE2 4.02Å; L18-F120 HydrophobicContact CD1-CZ 4.11Å; N117-F120 PolarHBondContact N-O 2.97Å; F120-V122 HydrophobicContact CB-CG2 4.08Å; F120-N136 HydrophobicContact CD1-CB 4.23Å; F120-D137 CarbonylContact C-O 3.59Å; F120-D137 WeakPolarHBondContact CA-O 3.35Å; F120-P138 HydrophobicContact CD1-CB 4.31Å; F120-P138 HydrophobicContact CD1-CG 4.21Å; F120-P138 HydrophobicContact CE1-CB 4.26Å; F120-P138 HydrophobicContact CE1-CG 3.99Å |
| 121 | R | 88.3 | Confident | 90.5 | Very high | 36 Ų | 36 | 46.1 Ų | 46.1 | 14% | 0.136 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 115.9 | 150.6 | -178.4 | -177.9 | -60.7 | 176.3 | 1.3 | 107.2 | Y114 L116 W123 D137 L139 | Y114-R121 HydrophobicContact CD2-CG 3.53Å; Y114-R121 HydrophobicContact CE2-CG 4.27Å; Y114-R121 HydrophobicContact CG-CG 3.8Å; L116-R121 HydrophobicContact CD2-CB 3.83Å; L116-R121 HydrophobicContact CD2-CG 3.93Å; R121-W123 VanDerWaalsContact CD-CE2 3.49Å; R121-W123 VanDerWaalsContact CD-NE1 3.29Å; R121-D137 HydrophobicContact CB-CB 4.15Å; R121-D137 PolarHBondContact N-O 3.14Å; R121-D137 WeakPolarHBondContact O-CB 3.3Å; R121-D137 PolarHBondContact O-N 2.79Å; R121-L139 HydrophobicContact CB-CD2 4.06Å |
| 122 | V | 91.4 | Very high | 90.5 | Very high | 19 Ų | 19 | 43.8 Ų | 43.8 | 12% | 0.115 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 106.3 | 178.3 | -175.4 | 0 | 0 | 0 | 0 | 108 | Y114 Q115 F120 V135 | Y114-V122 CarbonylContact C-O 3.6Å; Y114-V122 WeakPolarHBondContact CA-O 3.37Å; Y114-V122 WeakPolarHBondContact CB-O 3.29Å; Q115-V122 PolarHBondContact N-O 2.83Å; Q115-V122 PolarHBondContact O-N 2.11Å; F120-V122 HydrophobicContact CB-CG2 4.08Å; V122-V135 WeakPolarHBondContact CA-O 3.31Å |
| 123 | W | 94.7 | Very high | 90.4 | Very high | 8 Ų | 8 | 43.9 Ų | 43.9 | 3% | 0.03 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 138.5 | 171.1 | -58.6 | 82.8 | 0 | 0 | 0 | 109.7 | I112 W113 Y114 R121 Q134 V135 D137 M258 V261 T265 | I112-W123 HydrophobicContact CG2-CE3 4.14Å; W113-W123 CarbonylContact O-C 3.54Å; W113-W123 WeakPolarHBondContact O-CA 3.5Å; Y114-W123 HydrophobicContact CD1-CD2 4.34Å; Y114-W123 AromaticContact CD1-CE3 3.93Å; Y114-W123 HydrophobicContact CD1-CE3 3.93Å; Y114-W123 AromaticContact CD1-CH2 3.52Å; Y114-W123 HydrophobicContact CD1-CH2 3.52Å; Y114-W123 HydrophobicContact CD1-CZ2 4Å; Y114-W123 AromaticContact CD1-CZ3 3.5Å; Y114-W123 HydrophobicContact CD1-CZ3 3.5Å; Y114-W123 AromaticContact CE1-CH2 3.99Å; Y114-W123 HydrophobicContact CE1-CH2 3.99Å; Y114-W123 HydrophobicContact CE1-CZ3 4.3Å; Y114-W123 HydrophobicContact CG-CD2 4.37Å; Y114-W123 HydrophobicContact CG-CE3 4.31Å; Y114-W123 HydrophobicContact CG-CH2 4.36Å; Y114-W123 HydrophobicContact CG-CZ2 4.46Å; Y114-W123 HydrophobicContact CG-CZ3 4.3Å; R121-W123 VanDerWaalsContact CD-CE2 3.49Å; R121-W123 VanDerWaalsContact CD-NE1 3.29Å; W123-Q134 CarbonylContact O-C 3.54Å; W123-Q134 VanDerWaalsContact O-CA 3.31Å; W123-Q134 WeakPolarHBondContact O-CA 3.16Å; W123-V135 HydrophobicContact CB-CB 4.08Å; W123-V135 PolarHBondContact N-O 2.82Å; W123-V135 PolarHBondContact O-N 3.44Å; W123-D137 PolarHBondContact NE1-OD2 2.88Å; W123-M258 HydrophobicContact CB-CE 3.72Å; W123-M258 HydrophobicContact CG-CE 4.12Å; W123-V261 HydrophobicContact CZ3-CG1 4.33Å; W123-T265 HydrophobicContact CH2-CG2 3.65Å; W123-T265 WeakPolarHBondContact CH2-OG1 3.36Å; W123-T265 HydrophobicContact CZ3-CG2 4.22Å |
| 124 | T | 95.6 | Very high | 90.4 | Very high | 7 Ų | 7 | 44.9 Ų | 44.9 | 4% | 0.043 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 128.2 | 176 | -54.5 | 0 | 0 | 0 | 0 | 108.7 | I112 W113 E126 A131 | I112-T124 WeakPolarHBondContact CA-O 3.28Å; W113-T124 HydrophobicContact CH2-CG2 4.29Å; W113-T124 HydrophobicContact CZ2-CG2 3.93Å; W113-T124 PolarHBondContact N-O 2.95Å; W113-T124 VanDerWaalsContact N-O 3.14Å; W113-T124 PolarHBondContact O-N 2.81Å; T124-E126 HydrophobicContact CG2-CG 3.62Å; T124-A131 HydrophobicContact CG2-CB 4.3Å |
| 125 | V | 97.1 | Very high | 90.5 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 123.1 | 169 | -176.2 | 0 | 0 | 0 | 0 | 107.8 | L110 I112 V132 L133 M258 | L110-V125 HydrophobicContact CB-CG1 4.15Å; L110-V125 HydrophobicContact CD1-CG1 3.84Å; L110-V125 HydrophobicContact CD2-CG1 4.13Å; L110-V125 HydrophobicContact CG-CG1 4.27Å; I112-V125 HydrophobicContact CG1-CG1 4.23Å; I112-V125 HydrophobicContact CG1-CG2 4.21Å; I112-V125 HydrophobicContact CG2-CG2 4.33Å; V125-V132 HydrophobicContact CG1-CB 4.42Å; V125-V132 PolarHBondContact O-N 3.11Å; V125-L133 HydrophobicContact CB-CB 3.9Å; V125-L133 HydrophobicContact CG2-CB 3.95Å; V125-L133 HydrophobicContact CG2-CD2 4.17Å; V125-L133 PolarHBondContact N-O 2.83Å; V125-L133 PolarHBondContact O-N 3.29Å; V125-M258 HydrophobicContact CG2-CE 4.29Å; V125-M258 HydrophobicContact CG2-CG 4.03Å; V125-M258 HydrophobicContact CG2-SD 3.25Å; V125-M258 WeakPolarHBondContact CG2-SD 3.37Å |
| 126 | E | 96 | Very high | 90.5 | Very high | 41 Ų | 41 | 37.6 Ų | 37.6 | 19% | 0.192 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 138.8 | -178.1 | -58.6 | -169.2 | 135.2 | 0 | 0 | 111.5 | L110 D111 W113 T124 K130 | L110-E126 CarbonylContact C-O 3.57Å; L110-E126 VanDerWaalsContact CA-O 3.23Å; L110-E126 WeakPolarHBondContact CA-O 3.27Å; D111-E126 PolarHBondContact N-O 3.06Å; D111-E126 PolarHBondContact O-N 3.46Å; W113-E126 HydrophobicContact CZ2-CG 4.49Å; W113-E126 VanDerWaalsContact NE1-CD 3.27Å; W113-E126 PolarHBondContact NE1-OE2 3.5Å; T124-E126 HydrophobicContact CG2-CG 3.62Å; E126-K130 CarbonylContact C-O 3.41Å; E126-K130 VanDerWaalsContact CA-O 3.32Å; E126-K130 WeakPolarHBondContact CA-O 3.36Å |
| 127 | A | 95.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 106.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | K77 V80 L110 G129 K130 V132 | K77-A127 HydrophobicContact CB-CB 4.42Å; K77-A127 HydrophobicContact CG-CB 4.35Å; V80-A127 HydrophobicContact CB-CB 4.19Å; V80-A127 HydrophobicContact CG1-CB 4.1Å; V80-A127 HydrophobicContact CG2-CB 4.45Å; L110-A127 HydrophobicContact CD2-CB 3.83Å; A127-G129 PolarHBondContact O-N 3.09Å; A127-K130 PolarHBondContact N-O 3.01Å; A127-K130 PolarHBondContact O-N 2.77Å; A127-K130 VanDerWaalsContact O-N 3.16Å; A127-V132 HydrophobicContact CB-CG2 3.78Å |
| 128 | Y | 90.9 | Very high | 90.8 | Very high | 65 Ų | 65 | 31.5 Ų | 31.5 | 26% | 0.255 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 50 | 177.9 | -71.3 | -96.3 | 0 | 0 | 0 | 113.6 | W59 R63 P75 V80 P108 K130 | W59-Y128 AromaticContact CH2-CE2 3.65Å; W59-Y128 HydrophobicContact CH2-CE2 3.65Å; W59-Y128 AromaticContact CH2-CZ 3.71Å; W59-Y128 WeakPolarHBondContact CH2-OH 3.22Å; W59-Y128 HydrophobicContact CZ3-CE2 4.1Å; W59-Y128 AromaticContact CZ3-CZ 3.72Å; W59-Y128 WeakPolarHBondContact CZ3-OH 3.3Å; R63-Y128 PolarHBondContact NH1-OH 3.14Å; R63-Y128 VanDerWaalsContact NH1-OH 3.13Å; P75-Y128 VanDerWaalsContact CD-CE2 3.49Å; P75-Y128 VanDerWaalsContact CD-CZ 3.43Å; P75-Y128 HydrophobicContact CG-CD1 4.05Å; P75-Y128 HydrophobicContact CG-CD2 3.24Å; P75-Y128 HydrophobicContact CG-CE1 3.97Å; P75-Y128 HydrophobicContact CG-CE2 3.16Å; P75-Y128 HydrophobicContact CG-CG 3.7Å; V80-Y128 HydrophobicContact CG2-CD2 3.9Å; V80-Y128 HydrophobicContact CG2-CE2 3.99Å; P108-Y128 VanDerWaalsContact O-CE2 3.28Å; P108-Y128 WeakPolarHBondContact O-CE2 3.43Å; P108-Y128 PolarHBondContact O-OH 3.33Å; Y128-K130 VanDerWaalsContact C-N 3.27Å; Y128-K130 PolarHBondContact O-N 3.26Å |
| 129 | G | 90.4 | Very high | 90.9 | Very high | 59 Ų | 59 | 30.1 Ų | 30.1 | 61% | 0.608 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.4 | 9.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | A127 | A127-G129 PolarHBondContact O-N 3.09Š|
| 130 | K | 93.6 | Very high | 90.4 | Very high | 98 Ų | 98 | 33.2 Ų | 33.2 | 43% | 0.426 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 123.7 | 171.5 | -62.8 | -172.2 | 179.7 | -170.8 | 0 | 109.6 | H76 K77 E126 A127 Y128 V132 | H76-K130 PolarHBondContact NE2-NZ 3.49Å; K77-K130 HydrophobicContact CB-CB 4.18Å; K77-K130 HydrophobicContact CB-CD 3.94Å; K77-K130 HydrophobicContact CD-CB 3.98Å; E126-K130 CarbonylContact C-O 3.41Å; E126-K130 VanDerWaalsContact CA-O 3.32Å; E126-K130 WeakPolarHBondContact CA-O 3.36Å; A127-K130 PolarHBondContact N-O 3.01Å; A127-K130 PolarHBondContact O-N 2.77Å; A127-K130 VanDerWaalsContact O-N 3.16Å; Y128-K130 VanDerWaalsContact C-N 3.27Å; Y128-K130 PolarHBondContact O-N 3.26Å; K130-V132 PolarHBondContact O-N 3.07Å |
| 131 | A | 94.2 | Very high | 89 | Confident | 33 Ų | 33 | 35 Ų | 35 | 27% | 0.273 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.9 | 136.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | K77 T124 S156 | K77-A131 PolarHBondContact NZ-O 2.82Å; T124-A131 HydrophobicContact CG2-CB 4.3Å; A131-S156 WeakPolarHBondContact O-CB 3.28Å |
| 132 | V | 95.3 | Very high | 87.3 | Confident | 8 Ų | 8 | 36.2 Ų | 36.2 | 5% | 0.048 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | -43.3 | 175.8 | 174.4 | 0 | 0 | 0 | 0 | 109.7 | K77 L81 L110 V125 A127 K130 S156 L254 | K77-V132 HydrophobicContact CD-CG2 4.16Å; K77-V132 HydrophobicContact CG-CG2 4.17Å; L81-V132 HydrophobicContact CD1-CG1 4.37Å; L81-V132 HydrophobicContact CD2-CG1 3.65Å; L81-V132 HydrophobicContact CD2-CG2 4.22Å; L110-V132 HydrophobicContact CD2-CG2 4.41Å; V125-V132 HydrophobicContact CG1-CB 4.42Å; V125-V132 PolarHBondContact O-N 3.11Å; A127-V132 HydrophobicContact CB-CG2 3.78Å; K130-V132 PolarHBondContact O-N 3.07Å; V132-S156 PolarHBondContact O-N 2.93Å; V132-S156 VanDerWaalsContact O-N 3.12Å; V132-L254 HydrophobicContact CG1-CD1 3.94Å; V132-L254 HydrophobicContact CG1-CD2 4.37Å |
| 133 | L | 95.7 | Very high | 85.4 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 145 | -174.4 | -166.3 | 75.4 | 0 | 0 | 0 | 109.4 | V125 V135 V153 V154 L161 M258 | V125-L133 HydrophobicContact CB-CB 3.9Å; V125-L133 HydrophobicContact CG2-CB 3.95Å; V125-L133 HydrophobicContact CG2-CD2 4.17Å; V125-L133 PolarHBondContact N-O 2.83Å; V125-L133 PolarHBondContact O-N 3.29Å; L133-V135 HydrophobicContact CD2-CG2 3.95Å; L133-V135 HydrophobicContact CG-CG2 4.29Å; L133-V153 HydrophobicContact CD1-CG1 3.28Å; L133-V153 HydrophobicContact CD2-CG1 3.71Å; L133-V153 HydrophobicContact CG-CG1 3.64Å; L133-V154 WeakPolarHBondContact CA-O 3.21Å; L133-V154 VanDerWaalsContact CD1-O 3.23Å; L133-V154 WeakPolarHBondContact CD1-O 3.35Å; L133-L161 HydrophobicContact CD1-CD1 3.39Å; L133-M258 HydrophobicContact CD2-CB 4.37Å; L133-M258 HydrophobicContact CD2-CG 3.35Å; L133-M258 HydrophobicContact CD2-SD 4.5Å |
| 134 | Q | 94.8 | Very high | 83.4 | Confident | 72 Ų | 72 | 42.7 Ų | 42.7 | 34% | 0.336 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 139.3 | 165.9 | -66.2 | -174.9 | -38.8 | 0 | 0 | 109.9 | W123 V154 | W123-Q134 CarbonylContact O-C 3.54Å; W123-Q134 VanDerWaalsContact O-CA 3.31Å; W123-Q134 WeakPolarHBondContact O-CA 3.16Å; Q134-V154 HydrophobicContact CB-CG2 3.8Å; Q134-V154 PolarHBondContact N-O 2.81Å; Q134-V154 PolarHBondContact O-N 3.31Å |
| 135 | V | 93.7 | Very high | 81.3 | Confident | 3 Ų | 3 | 50.2 Ų | 50.2 | 2% | 0.018 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 118.2 | 178.9 | -176.6 | 0 | 0 | 0 | 0 | 109.2 | V122 W123 L133 I151 F152 V153 F164 M258 | V122-V135 WeakPolarHBondContact CA-O 3.31Å; W123-V135 HydrophobicContact CB-CB 4.08Å; W123-V135 PolarHBondContact N-O 2.82Å; W123-V135 PolarHBondContact O-N 3.44Å; L133-V135 HydrophobicContact CD2-CG2 3.95Å; L133-V135 HydrophobicContact CG-CG2 4.29Å; V135-I151 HydrophobicContact CG1-CG2 3.18Å; V135-F152 CarbonylContact C-O 3.58Å; V135-F152 VanDerWaalsContact CA-O 3.3Å; V135-F152 WeakPolarHBondContact CA-O 3.3Å; V135-V153 HydrophobicContact CG1-CG2 4.18Å; V135-V153 HydrophobicContact CG2-CG1 4.12Å; V135-V153 HydrophobicContact CG2-CG2 4.04Å; V135-F164 HydrophobicContact CG1-CE2 4.16Å; V135-M258 HydrophobicContact CB-CE 4.01Å; V135-M258 HydrophobicContact CG2-CB 4.23Å; V135-M258 HydrophobicContact CG2-CE 3.55Å; V135-M258 HydrophobicContact CG2-CG 3.84Å; V135-M258 HydrophobicContact CG2-SD 4.4Å |
| 136 | N | 90.8 | Very high | 79.2 | Confident | 39 Ų | 39 | 53.2 Ų | 53.2 | 21% | 0.209 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 105.5 | -178.8 | -61.8 | -52.9 | 0 | 0 | 0 | 108.8 | F120 P138 F152 | F120-N136 HydrophobicContact CD1-CB 4.23Å; N136-P138 WeakPolarHBondContact O-CD 3.37Å; N136-F152 PolarHBondContact N-O 2.82Å; N136-F152 PolarHBondContact O-N 2.83Å |
| 137 | D | 88.6 | Confident | 77.1 | Confident | 7 Ų | 7 | 58.7 Ų | 58.7 | 4% | 0.037 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 105.4 | -176.2 | 174.5 | 21.8 | 0 | 0 | 0 | 108.7 | F120 R121 W123 L139 I151 R262 | F120-D137 CarbonylContact C-O 3.59Å; F120-D137 WeakPolarHBondContact CA-O 3.35Å; R121-D137 HydrophobicContact CB-CB 4.15Å; R121-D137 PolarHBondContact N-O 3.14Å; R121-D137 WeakPolarHBondContact O-CB 3.3Å; R121-D137 PolarHBondContact O-N 2.79Å; W123-D137 PolarHBondContact NE1-OD2 2.88Å; D137-L139 PolarHBondContact O-N 2.84Å; D137-I151 HydrophobicContact CB-CG1 4.38Å; D137-I151 HydrophobicContact CB-CG2 4.08Å; D137-R262 IonicContact OD1-CZ 3.94Å; D137-R262 IonicContact OD1-NE 3.46Å; D137-R262 IonicContact OD1-NH2 3.31Å; D137-R262 PolarHBondContact OD1-NH2 3.39Å; D137-R262 IonicContact OD2-CZ 3.95Å; D137-R262 IonicContact OD2-NE 2.69Å; D137-R262 PolarHBondContact OD2-NE 2.84Å; D137-R262 IonicContact OD2-NH2 3.2Å; D137-R262 PolarHBondContact OD2-NH2 3.39Å |
| 138 | P | 82.7 | Confident | 75.4 | Confident | 13 Ų | 13 | 62.7 Ų | 62.7 | 8% | 0.084 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.7 | 137.1 | -177.2 | -23.6 | 32.1 | 0 | 0 | 0 | 112.8 | F120 N136 N140 L146 C150 | F120-P138 HydrophobicContact CD1-CB 4.31Å; F120-P138 HydrophobicContact CD1-CG 4.21Å; F120-P138 HydrophobicContact CE1-CB 4.26Å; F120-P138 HydrophobicContact CE1-CG 3.99Å; N136-P138 WeakPolarHBondContact O-CD 3.37Å; P138-N140 PolarHBondContact O-N 2.94Å; P138-L146 HydrophobicContact CB-CD1 4.22Å; P138-C150 VanDerWaalsContact CD-O 3.27Å; P138-C150 WeakPolarHBondContact CD-O 3.47Å; P138-C150 VanDerWaalsContact CG-O 3.3Å; P138-C150 WeakPolarHBondContact CG-O 3.47Å |
| 139 | L | 77.3 | Confident | 74.5 | Confident | 27 Ų | 27 | 60.7 Ų | 60.7 | 14% | 0.141 | 34% | 0.339 | C | S | . | . | trans | -83.8 | 104.5 | 169.5 | -60.3 | 178.5 | 0 | 0 | 0 | 108.5 | L116 N117 T119 R121 D137 V141 C142 | L116-L139 HydrophobicContact CD2-CD2 4.14Å; N117-L139 WeakPolarHBondContact O-CD1 3.39Å; T119-L139 PolarHBondContact O-N 3.06Å; R121-L139 HydrophobicContact CB-CD2 4.06Å; D137-L139 PolarHBondContact O-N 2.84Å; L139-V141 PolarHBondContact O-N 3.45Å; L139-C142 PolarHBondContact O-N 3.49Å; L139-C142 VanDerWaalsContact O-N 3.07Å | ||
| 140 | N | 67.2 | Low | 74.3 | Confident | 124 Ų | 124 | 58.1 Ų | 58.1 | 66% | 0.663 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -8.5 | 177.4 | -68.3 | -14.6 | 0 | 0 | 0 | 115.1 | P138 | P138-N140 PolarHBondContact O-N 2.94Š|
| 141 | V | 56.6 | Low | 74.1 | Confident | 74 Ų | 74 | 53.5 Ų | 53.5 | 45% | 0.448 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -30.8 | -179.3 | -176.7 | 0 | 0 | 0 | 0 | 111.8 | L139 M277 | L139-V141 PolarHBondContact O-N 3.45Å; V141-M277 HydrophobicContact CB-SD 4.05Å; V141-M277 HydrophobicContact CG1-CE 4.06Å; V141-M277 HydrophobicContact CG1-SD 3.38Å; V141-M277 WeakPolarHBondContact CG1-SD 3.48Å; V141-M277 HydrophobicContact CG2-CE 4.5Å; V141-M277 HydrophobicContact CG2-SD 3.53Å; V141-M277 VanDerWaalsContact CG2-SD 3.53Å |
| 142 | C | 52.1 | Low | 74 | Confident | 61 Ų | 61 | 53.4 Ų | 53.4 | 41% | 0.412 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | -12.3 | -166.4 | -65.2 | 0 | 0 | 0 | 0 | 113.9 | C118 L139 | C118-C142 PolarHBondContact O-SG 3.46Å; L139-C142 PolarHBondContact O-N 3.49Å; L139-C142 VanDerWaalsContact O-N 3.07Å |
| 143 | D | 51.6 | Low | 73.9 | Confident | 55 Ų | 55 | 53 Ų | 53 | 29% | 0.294 | 28% | 0.283 | S | S | . | . | trans | -152 | 104.5 | 174.4 | -163.7 | -16 | 0 | 0 | 0 | 111 | F145 L146 | D143-F145 PolarHBondContact O-N 2.79Å; D143-F145 WeakPolarHBondContact OD1-CA 3.49Å; D143-F145 VanDerWaalsContact OD1-CB 3.23Å; D143-F145 WeakPolarHBondContact OD1-CB 3.15Å; D143-F145 WeakPolarHBondContact OD1-CD2 3.45Å; D143-F145 PolarHBondContact OD1-N 3.42Å; D143-L146 HydrophobicContact CB-CB 4.21Å; D143-L146 HydrophobicContact CB-CD1 3.77Å; D143-L146 HydrophobicContact CB-CG 3.88Å; D143-L146 PolarHBondContact O-N 2.91Å | ||
| 144 | P | 52.4 | Low | 73.8 | Confident | 108 Ų | 108 | 54.1 Ų | 54.1 | 70% | 0.701 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -9.8 | 173.6 | 29.5 | -33.4 | 0 | 0 | 0 | 112.8 | ||
| 145 | F | 51.8 | Low | 73.7 | Confident | 166 Ų | 166 | 51.7 Ų | 51.7 | 73% | 0.728 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | -4.7 | 178.1 | -52.4 | -78.1 | 0 | 0 | 0 | 113.6 | D143 Q147 | D143-F145 PolarHBondContact O-N 2.79Å; D143-F145 WeakPolarHBondContact OD1-CA 3.49Å; D143-F145 VanDerWaalsContact OD1-CB 3.23Å; D143-F145 WeakPolarHBondContact OD1-CB 3.15Å; D143-F145 WeakPolarHBondContact OD1-CD2 3.45Å; D143-F145 PolarHBondContact OD1-N 3.42Å; F145-Q147 PolarHBondContact O-N 2.9Å |
| 146 | L | 52.8 | Low | 73.5 | Confident | 63 Ų | 63 | 54.2 Ų | 54.2 | 33% | 0.33 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -70.5 | 72.2 | 162 | -80.1 | 169 | 0 | 0 | 0 | 108.1 | T119 P138 D143 | T119-L146 HydrophobicContact CG2-CD1 4.13Å; P138-L146 HydrophobicContact CB-CD1 4.22Å; D143-L146 HydrophobicContact CB-CB 4.21Å; D143-L146 HydrophobicContact CB-CD1 3.77Å; D143-L146 HydrophobicContact CB-CG 3.88Å; D143-L146 PolarHBondContact O-N 2.91Å |
| 147 | Q | 50.8 | Low | 73.5 | Confident | 157 Ų | 157 | 56.6 Ų | 56.6 | 73% | 0.734 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | 135.8 | 177.6 | -82.9 | 176.8 | -24.6 | 0 | 0 | 109.2 | F145 | F145-Q147 PolarHBondContact O-N 2.9Š|
| 148 | E | 59.4 | Low | 73.6 | Confident | 84 Ų | 84 | 58.7 Ų | 58.7 | 39% | 0.393 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.9 | 17.9 | 168.1 | -51.7 | -171.3 | 169 | 0 | 0 | 119 | C23 N25 C150 | C23-E148 WeakPolarHBondContact CB-OE2 3.36Å; N25-E148 PolarHBondContact ND2-OE1 3.4Å; N25-E148 PolarHBondContact ND2-OE2 3.32Å; E148-C150 PolarHBondContact O-N 2.97Å |
| 149 | G | 72.6 | Confident | 74 | Confident | 23 Ų | 23 | 63 Ų | 63 | 24% | 0.237 | 36% | 0.363 | C | S | . | . | trans | 51 | 26.5 | 163.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | I151 A166 | G149-I151 PolarHBondContact O-N 3.46Å; G149-A166 PolarHBondContact O-N 2.96Å | ||
| 150 | C | 85.4 | Confident | 74.7 | Confident | 5 Ų | 5 | 65.2 Ų | 65.2 | 3% | 0.034 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 124.4 | -175.2 | -66.7 | 0 | 0 | 0 | 0 | 107.1 | C23 P138 E148 F152 Y163 F164 | C23-C150 WeakPolarHBondContact CB-SG 3.36Å; C23-C150 WeakPolarHBondContact SG-CB 3.2Å; C23-C150 CovalentContact SG-SG 2.11Å; C23-C150 PolarHBondContact SG-SG 3.49Å; P138-C150 VanDerWaalsContact CD-O 3.27Å; P138-C150 WeakPolarHBondContact CD-O 3.47Å; P138-C150 VanDerWaalsContact CG-O 3.3Å; P138-C150 WeakPolarHBondContact CG-O 3.47Å; E148-C150 PolarHBondContact O-N 2.97Å; C150-F152 HydrophobicContact CB-CE1 4.4Å; C150-F152 HydrophobicContact CB-CE2 4.13Å; C150-F152 HydrophobicContact CB-CZ 3.85Å; C150-Y163 HydrophobicContact CB-CD2 4.07Å; C150-F164 CarbonylContact C-O 3.54Å; C150-F164 VanDerWaalsContact CA-O 3.3Å; C150-F164 WeakPolarHBondContact CA-O 3.4Å |
| 151 | I | 89.7 | Confident | 75.9 | Confident | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.005 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 110.5 | 180 | -62.5 | 172.9 | 0 | 0 | 0 | 108.1 | V135 D137 G149 Y163 F164 A166 R262 | V135-I151 HydrophobicContact CG1-CG2 3.18Å; D137-I151 HydrophobicContact CB-CG1 4.38Å; D137-I151 HydrophobicContact CB-CG2 4.08Å; G149-I151 PolarHBondContact O-N 3.46Å; I151-Y163 CarbonylContact O-C 3.59Å; I151-Y163 WeakPolarHBondContact O-CA 3.46Å; I151-Y163 WeakPolarHBondContact O-CB 3.47Å; I151-F164 HydrophobicContact CB-CB 4.23Å; I151-F164 HydrophobicContact CB-CD2 3.97Å; I151-F164 HydrophobicContact CG2-CD2 3.8Å; I151-F164 HydrophobicContact CG2-CE2 4.44Å; I151-F164 PolarHBondContact N-O 3.2Å; I151-F164 PolarHBondContact O-N 2.96Å; I151-A166 HydrophobicContact CD1-CB 4.17Å; I151-R262 HydrophobicContact CD1-CG 4.02Å |
| 152 | F | 91.7 | Very high | 77.6 | Confident | 30 Ų | 30 | 56.7 Ų | 56.7 | 13% | 0.132 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 142.5 | -170.4 | -58.7 | -83.9 | 0 | 0 | 0 | 112.3 | M21 V135 N136 C150 Y160 | M21-F152 HydrophobicContact CB-CE1 4.49Å; M21-F152 HydrophobicContact SD-CE1 4.47Å; V135-F152 CarbonylContact C-O 3.58Å; V135-F152 VanDerWaalsContact CA-O 3.3Å; V135-F152 WeakPolarHBondContact CA-O 3.3Å; N136-F152 PolarHBondContact N-O 2.82Å; N136-F152 PolarHBondContact O-N 2.83Å; C150-F152 HydrophobicContact CB-CE1 4.4Å; C150-F152 HydrophobicContact CB-CE2 4.13Å; C150-F152 HydrophobicContact CB-CZ 3.85Å; F152-Y160 HydrophobicContact CD1-CE2 4.04Å |
| 153 | V | 93.9 | Very high | 79.5 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 124.6 | -176.6 | -174.1 | 0 | 0 | 0 | 0 | 110.5 | L133 V135 L161 G162 F164 L255 | L133-V153 HydrophobicContact CD1-CG1 3.28Å; L133-V153 HydrophobicContact CD2-CG1 3.71Å; L133-V153 HydrophobicContact CG-CG1 3.64Å; V135-V153 HydrophobicContact CG1-CG2 4.18Å; V135-V153 HydrophobicContact CG2-CG1 4.12Å; V135-V153 HydrophobicContact CG2-CG2 4.04Å; V153-L161 HydrophobicContact CG1-CB 4.38Å; V153-L161 HydrophobicContact CG1-CD1 4.45Å; V153-L161 PolarHBondContact O-N 3.09Å; V153-G162 WeakPolarHBondContact CB-O 3.47Å; V153-G162 PolarHBondContact N-O 3.23Å; V153-F164 HydrophobicContact CG2-CD2 3.95Å; V153-F164 HydrophobicContact CG2-CE1 4.31Å; V153-F164 HydrophobicContact CG2-CE2 3.27Å; V153-F164 HydrophobicContact CG2-CZ 3.49Å; V153-F164 VanDerWaalsContact CG2-CZ 3.49Å; V153-L255 HydrophobicContact CB-CD2 3.92Å; V153-L255 HydrophobicContact CG1-CD2 3.74Å; V153-L255 HydrophobicContact CG2-CD2 3.99Å |
| 154 | V | 94.3 | Very high | 81.3 | Confident | 25 Ų | 25 | 52.3 Ų | 52.3 | 15% | 0.152 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 147.6 | 176.6 | -58.5 | 0 | 0 | 0 | 0 | 110.7 | L133 Q134 D159 | L133-V154 WeakPolarHBondContact CA-O 3.21Å; L133-V154 VanDerWaalsContact CD1-O 3.23Å; L133-V154 WeakPolarHBondContact CD1-O 3.35Å; Q134-V154 HydrophobicContact CB-CG2 3.8Å; Q134-V154 PolarHBondContact N-O 2.81Å; Q134-V154 PolarHBondContact O-N 3.31Å; V154-D159 CarbonylContact C-O 3.53Å; V154-D159 VanDerWaalsContact CA-O 3.28Å; V154-D159 WeakPolarHBondContact CA-O 3.3Å |
| 155 | D | 93.1 | Very high | 83 | Confident | 20 Ų | 20 | 48.1 Ų | 48.1 | 11% | 0.107 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | -179.8 | 174.4 | 92.5 | -27.5 | 0 | 0 | 0 | 111.5 | S157 G158 D159 L161 | D155-S157 VanDerWaalsContact CG-N 3.32Å; D155-S157 PolarHBondContact O-N 2.82Å; D155-S157 VanDerWaalsContact OD1-CA 3.24Å; D155-S157 WeakPolarHBondContact OD1-CA 3.39Å; D155-S157 WeakPolarHBondContact OD1-CB 3.33Å; D155-S157 PolarHBondContact OD1-N 2.81Å; D155-S157 WeakPolarHBondContact OD2-CB 3.41Å; D155-S157 PolarHBondContact OD2-N 2.85Å; D155-S157 PolarHBondContact OD2-OG 2.88Å; D155-G158 PolarHBondContact O-N 3.04Å; D155-G158 PolarHBondContact OD1-N 3.35Å; D155-D159 PolarHBondContact N-O 2.95Å; D155-D159 WeakPolarHBondContact OD1-CB 3.39Å; D155-D159 PolarHBondContact OD1-N 2.79Å; D155-L161 HydrophobicContact CB-CD1 3.91Å; D155-L161 HydrophobicContact CB-CD2 4.08Å; D155-L161 HydrophobicContact CB-CG 4.04Å |
| 156 | S | 89.2 | Confident | 84.2 | Confident | 57 Ų | 57 | 42 Ų | 42 | 40% | 0.399 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -16.1 | 176.9 | 59.7 | 0 | 0 | 0 | 0 | 115.7 | K77 A131 V132 | K77-S156 PolarHBondContact NZ-OG 3.06Å; A131-S156 WeakPolarHBondContact O-CB 3.28Å; V132-S156 PolarHBondContact O-N 2.93Å; V132-S156 VanDerWaalsContact O-N 3.12Å |
| 157 | S | 90.3 | Very high | 85.4 | Confident | 88 Ų | 88 | 44 Ų | 44 | 62% | 0.615 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -13.3 | 179 | -38.6 | 0 | 0 | 0 | 0 | 111.2 | D155 | D155-S157 VanDerWaalsContact CG-N 3.32Å; D155-S157 PolarHBondContact O-N 2.82Å; D155-S157 VanDerWaalsContact OD1-CA 3.24Å; D155-S157 WeakPolarHBondContact OD1-CA 3.39Å; D155-S157 WeakPolarHBondContact OD1-CB 3.33Å; D155-S157 PolarHBondContact OD1-N 2.81Å; D155-S157 WeakPolarHBondContact OD2-CB 3.41Å; D155-S157 PolarHBondContact OD2-N 2.85Å; D155-S157 PolarHBondContact OD2-OG 2.88Å |
| 158 | G | 89.7 | Confident | 86.4 | Confident | 52 Ų | 52 | 41.6 Ų | 41.6 | 54% | 0.536 | 25% | 0.248 | S | C | . | . | S | Bend | trans | 92.6 | 4.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | D155 | D155-G158 PolarHBondContact O-N 3.04Å; D155-G158 PolarHBondContact OD1-N 3.35Å |
| 159 | D | 92.8 | Very high | 87.4 | Confident | 104 Ų | 104 | 39.4 Ų | 39.4 | 56% | 0.556 | 24% | 0.241 | S | C | * | . | trans | -73.7 | 134 | 178.9 | -66 | -36.4 | 0 | 0 | 0 | 110 | V154 D155 L161 | V154-D159 CarbonylContact C-O 3.53Å; V154-D159 VanDerWaalsContact CA-O 3.28Å; V154-D159 WeakPolarHBondContact CA-O 3.3Å; D155-D159 PolarHBondContact N-O 2.95Å; D155-D159 WeakPolarHBondContact OD1-CB 3.39Å; D155-D159 PolarHBondContact OD1-N 2.79Å; D159-L161 PolarHBondContact O-N 3.42Å | ||
| 160 | Y | 91.8 | Very high | 88 | Confident | 72 Ų | 72 | 38.5 Ų | 38.5 | 28% | 0.282 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 122.9 | -179.8 | -179.9 | -117.7 | 0 | 0 | 0 | 111 | F152 G162 Y163 A175 | F152-Y160 HydrophobicContact CD1-CE2 4.04Å; Y160-G162 WeakPolarHBondContact CE2-O 3.02Å; Y160-Y163 WeakPolarHBondContact OH-CD1 3.45Å; Y160-A175 HydrophobicContact CD1-CB 3.88Å; Y160-A175 HydrophobicContact CE1-CB 4.24Å |
| 161 | L | 91.9 | Very high | 88.3 | Confident | 20 Ų | 20 | 39.9 Ų | 39.9 | 11% | 0.105 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | -24.5 | 179.8 | -61 | -174.1 | 0 | 0 | 0 | 113.1 | L133 V153 D155 D159 A175 L255 | L133-L161 HydrophobicContact CD1-CD1 3.39Å; V153-L161 HydrophobicContact CG1-CB 4.38Å; V153-L161 HydrophobicContact CG1-CD1 4.45Å; V153-L161 PolarHBondContact O-N 3.09Å; D155-L161 HydrophobicContact CB-CD1 3.91Å; D155-L161 HydrophobicContact CB-CD2 4.08Å; D155-L161 HydrophobicContact CB-CG 4.04Å; D159-L161 PolarHBondContact O-N 3.42Å; L161-A175 PolarHBondContact O-N 2.81Å; L161-A175 VanDerWaalsContact O-N 3.16Å; L161-L255 HydrophobicContact CB-CD2 4.49Å |
| 162 | G | 91.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 146.4 | -165.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | V153 Y160 H173 | V153-G162 WeakPolarHBondContact CB-O 3.47Å; V153-G162 PolarHBondContact N-O 3.23Å; Y160-G162 WeakPolarHBondContact CE2-O 3.02Å; G162-H173 WeakPolarHBondContact CA-O 3.19Å |
| 163 | Y | 91.9 | Very high | 88.4 | Confident | 23 Ų | 23 | 39.5 Ų | 39.5 | 9% | 0.09 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 164.4 | -178.7 | 69.7 | -72.8 | 0 | 0 | 0 | 111.4 | C150 I151 Y160 V165 H173 N177 | C150-Y163 HydrophobicContact CB-CD2 4.07Å; I151-Y163 CarbonylContact O-C 3.59Å; I151-Y163 WeakPolarHBondContact O-CA 3.46Å; I151-Y163 WeakPolarHBondContact O-CB 3.47Å; Y160-Y163 WeakPolarHBondContact OH-CD1 3.45Å; Y163-V165 HydrophobicContact CD2-CG2 4.02Å; Y163-V165 HydrophobicContact CE2-CG2 3.55Å; Y163-H173 HydrophobicContact CD1-CB 3.54Å; Y163-H173 HydrophobicContact CE1-CB 3.26Å; Y163-H173 AromaticContact CE1-CG 3.65Å; Y163-H173 HydrophobicContact CE2-CB 4.35Å; Y163-H173 AromaticContact CE2-ND1 3.74Å; Y163-H173 HydrophobicContact CG-CB 4.24Å; Y163-H173 AromaticContact CZ-CG 3.53Å; Y163-H173 AromaticContact CZ-ND1 3.69Å; Y163-H173 PolarHBondContact N-O 2.79Å; Y163-H173 PolarHBondContact O-N 3.06Å; Y163-N177 HydrophobicContact CE1-CB 4.35Å; Y163-N177 VanDerWaalsContact CE1-OD1 3.28Å; Y163-N177 WeakPolarHBondContact CE1-OD1 3.43Å |
| 164 | F | 90.4 | Very high | 88.3 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 0% | 0.004 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 148.1 | 172 | -43.6 | -63.2 | 0 | 0 | 0 | 110.6 | V135 C150 I151 V153 Y170 V171 V172 L255 M258 A259 | V135-F164 HydrophobicContact CG1-CE2 4.16Å; C150-F164 CarbonylContact C-O 3.54Å; C150-F164 VanDerWaalsContact CA-O 3.3Å; C150-F164 WeakPolarHBondContact CA-O 3.4Å; I151-F164 HydrophobicContact CB-CB 4.23Å; I151-F164 HydrophobicContact CB-CD2 3.97Å; I151-F164 HydrophobicContact CG2-CD2 3.8Å; I151-F164 HydrophobicContact CG2-CE2 4.44Å; I151-F164 PolarHBondContact N-O 3.2Å; I151-F164 PolarHBondContact O-N 2.96Å; V153-F164 HydrophobicContact CG2-CD2 3.95Å; V153-F164 HydrophobicContact CG2-CE1 4.31Å; V153-F164 HydrophobicContact CG2-CE2 3.27Å; V153-F164 HydrophobicContact CG2-CZ 3.49Å; V153-F164 VanDerWaalsContact CG2-CZ 3.49Å; F164-Y170 HydrophobicContact CB-CD1 4.28Å; F164-Y170 HydrophobicContact CB-CE1 3.33Å; F164-Y170 HydrophobicContact CB-CE2 4.46Å; F164-Y170 VanDerWaalsContact CB-CZ 3.44Å; F164-Y170 WeakPolarHBondContact CB-OH 3.17Å; F164-Y170 AromaticContact CD1-CE1 3.82Å; F164-Y170 HydrophobicContact CD1-CE1 3.82Å; F164-Y170 HydrophobicContact CD2-CE1 4.21Å; F164-Y170 VanDerWaalsContact CD2-OH 3.28Å; F164-Y170 WeakPolarHBondContact CD2-OH 3.2Å; F164-Y170 AromaticContact CG-CE1 3.53Å; F164-Y170 HydrophobicContact CG-CE1 3.53Å; F164-Y170 AromaticContact CG-CZ 3.83Å; F164-Y170 WeakPolarHBondContact CG-OH 3.11Å; F164-V171 WeakPolarHBondContact CA-O 3.46Å; F164-V172 HydrophobicContact CD1-CB 4.2Å; F164-V172 HydrophobicContact CD1-CG1 3.96Å; F164-V172 HydrophobicContact CD1-CG2 3.87Å; F164-V172 HydrophobicContact CE1-CB 4.44Å; F164-V172 HydrophobicContact CE1-CG1 3.83Å; F164-V172 HydrophobicContact CE1-CG2 4.06Å; F164-L255 HydrophobicContact CE1-CB 4.32Å; F164-L255 HydrophobicContact CE1-CD2 4.21Å; F164-L255 WeakPolarHBondContact CE1-O 3.48Å; F164-L255 HydrophobicContact CZ-CD2 4.19Å; F164-L255 VanDerWaalsContact CZ-O 3.28Å; F164-L255 WeakPolarHBondContact CZ-O 3.27Å; F164-M258 HydrophobicContact CE2-CB 4.07Å; F164-M258 HydrophobicContact CZ-CB 3.88Å; F164-A259 HydrophobicContact CD1-CB 4.3Å; F164-A259 HydrophobicContact CE1-CB 4.04Å; F164-A259 HydrophobicContact CZ-CB 4.42Å |
| 165 | V | 87.3 | Confident | 88.2 | Confident | 20 Ų | 20 | 41.6 Ų | 41.6 | 12% | 0.121 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 114.9 | 166.6 | -177.2 | 0 | 0 | 0 | 0 | 107.5 | Y163 N167 V171 | Y163-V165 HydrophobicContact CD2-CG2 4.02Å; Y163-V165 HydrophobicContact CE2-CG2 3.55Å; V165-N167 HydrophobicContact CG1-CB 4.15Å; V165-N167 WeakPolarHBondContact CG1-ND2 3.42Å; V165-N167 PolarHBondContact O-N 3.38Å; V165-V171 PolarHBondContact N-O 2.89Å; V165-V171 PolarHBondContact O-N 3.18Å |
| 166 | A | 78.4 | Confident | 88.1 | Confident | 36 Ų | 36 | 46.3 Ų | 46.3 | 30% | 0.298 | 28% | 0.278 | S | S | . | . | trans | -76.9 | 41.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | G149 I151 Y170 | G149-A166 PolarHBondContact O-N 2.96Å; I151-A166 HydrophobicContact CD1-CB 4.17Å; A166-Y170 HydrophobicContact CB-CD2 4.19Å; A166-Y170 HydrophobicContact CB-CE2 3.78Å | ||
| 167 | N | 76.3 | Confident | 88.1 | Confident | 107 Ų | 107 | 47.6 Ų | 47.6 | 57% | 0.572 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -93.7 | -177.8 | 173.6 | -69.4 | -23.7 | 0 | 0 | 0 | 110.6 | V165 P169 Y170 | V165-N167 HydrophobicContact CG1-CB 4.15Å; V165-N167 WeakPolarHBondContact CG1-ND2 3.42Å; V165-N167 PolarHBondContact O-N 3.38Å; N167-P169 CarbonylContact C-O 3.01Å; N167-P169 CarbonylContact O-C 3.49Å; N167-P169 VanDerWaalsContact O-O 3.08Å; N167-Y170 VanDerWaalsContact O-CA 3.27Å; N167-Y170 WeakPolarHBondContact O-CA 3.33Å; N167-Y170 PolarHBondContact O-N 2.84Å; N167-Y170 VanDerWaalsContact O-N 3.07Å |
| 168 | D | 72.1 | Confident | 88.1 | Confident | 106 Ų | 106 | 50.1 Ų | 50.1 | 57% | 0.567 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -109.7 | 112.2 | 171.2 | -159.6 | 20.5 | 0 | 0 | 0 | 108.9 | ||
| 169 | P | 80.1 | Confident | 88.2 | Confident | 38 Ų | 38 | 50.8 Ų | 50.8 | 25% | 0.247 | 27% | 0.272 | C | S | . | . | S | Bend | cis | -74.4 | 159 | 0.6 | 33.3 | -36.6 | 0 | 0 | 0 | 112.6 | N167 V171 R182 V183 | N167-P169 CarbonylContact C-O 3.01Å; N167-P169 CarbonylContact O-C 3.49Å; N167-P169 VanDerWaalsContact O-O 3.08Å; P169-V171 HydrophobicContact CG-CG2 4.39Å; P169-V171 WeakPolarHBondContact O-CG2 3.3Å; P169-V171 PolarHBondContact O-N 3.38Å; P169-R182 HydrophobicContact CB-CB 4.3Å; P169-R182 HydrophobicContact CG-CB 4.41Å; P169-V183 WeakPolarHBondContact CB-O 3.28Å |
| 170 | Y | 86.1 | Confident | 88.2 | Confident | 4 Ų | 4 | 47.8 Ų | 47.8 | 2% | 0.016 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 110.1 | 177.1 | -168.7 | -82.4 | 0 | 0 | 0 | 108.9 | F164 A166 N167 R182 V183 A259 L263 | F164-Y170 HydrophobicContact CB-CD1 4.28Å; F164-Y170 HydrophobicContact CB-CE1 3.33Å; F164-Y170 HydrophobicContact CB-CE2 4.46Å; F164-Y170 VanDerWaalsContact CB-CZ 3.44Å; F164-Y170 WeakPolarHBondContact CB-OH 3.17Å; F164-Y170 AromaticContact CD1-CE1 3.82Å; F164-Y170 HydrophobicContact CD1-CE1 3.82Å; F164-Y170 HydrophobicContact CD2-CE1 4.21Å; F164-Y170 VanDerWaalsContact CD2-OH 3.28Å; F164-Y170 WeakPolarHBondContact CD2-OH 3.2Å; F164-Y170 AromaticContact CG-CE1 3.53Å; F164-Y170 HydrophobicContact CG-CE1 3.53Å; F164-Y170 AromaticContact CG-CZ 3.83Å; F164-Y170 WeakPolarHBondContact CG-OH 3.11Å; A166-Y170 HydrophobicContact CB-CD2 4.19Å; A166-Y170 HydrophobicContact CB-CE2 3.78Å; N167-Y170 VanDerWaalsContact O-CA 3.27Å; N167-Y170 WeakPolarHBondContact O-CA 3.33Å; N167-Y170 PolarHBondContact O-N 2.84Å; N167-Y170 VanDerWaalsContact O-N 3.07Å; Y170-R182 CarbonylContact O-C 3.52Å; Y170-R182 WeakPolarHBondContact O-CA 3.37Å; Y170-V183 HydrophobicContact CD1-CG2 4.44Å; Y170-V183 PolarHBondContact N-O 3.01Å; Y170-V183 PolarHBondContact O-N 2.82Å; Y170-A259 HydrophobicContact CD1-CB 3.98Å; Y170-A259 HydrophobicContact CE1-CB 3.6Å; Y170-L263 HydrophobicContact CD2-CD2 3.79Å; Y170-L263 HydrophobicContact CD2-CG 4.19Å; Y170-L263 HydrophobicContact CE2-CD2 4.4Å; Y170-L263 HydrophobicContact CG-CD1 4.25Å; Y170-L263 HydrophobicContact CG-CD2 4.21Å; Y170-L263 HydrophobicContact CG-CG 4.36Å |
| 171 | V | 91 | Very high | 88.3 | Confident | 33 Ų | 33 | 44.3 Ų | 44.3 | 20% | 0.2 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 132.9 | -171.9 | -172.8 | 0 | 0 | 0 | 0 | 110.9 | F164 V165 P169 H173 P179 R182 | F164-V171 WeakPolarHBondContact CA-O 3.46Å; V165-V171 PolarHBondContact N-O 2.89Å; V165-V171 PolarHBondContact O-N 3.18Å; P169-V171 HydrophobicContact CG-CG2 4.39Å; P169-V171 WeakPolarHBondContact O-CG2 3.3Å; P169-V171 PolarHBondContact O-N 3.38Å; V171-H173 VanDerWaalsContact CG1-CE1 3.42Å; V171-H173 WeakPolarHBondContact CG1-CE1 3.48Å; V171-P179 HydrophobicContact CG1-CB 3.87Å; V171-R182 HydrophobicContact CG2-CB 4.49Å |
| 172 | V | 92.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 122.8 | 175.4 | -174.8 | 0 | 0 | 0 | 0 | 109 | F164 I180 A181 L255 A259 | F164-V172 HydrophobicContact CD1-CB 4.2Å; F164-V172 HydrophobicContact CD1-CG1 3.96Å; F164-V172 HydrophobicContact CD1-CG2 3.87Å; F164-V172 HydrophobicContact CE1-CB 4.44Å; F164-V172 HydrophobicContact CE1-CG1 3.83Å; F164-V172 HydrophobicContact CE1-CG2 4.06Å; V172-I180 HydrophobicContact CB-CG1 4.32Å; V172-I180 HydrophobicContact CG1-CD1 4.05Å; V172-I180 HydrophobicContact CG1-CG1 3.95Å; V172-I180 WeakPolarHBondContact O-CG1 3.17Å; V172-I180 PolarHBondContact O-N 2.69Å; V172-A181 HydrophobicContact CB-CB 4.28Å; V172-A181 HydrophobicContact CG2-CB 4.46Å; V172-A181 PolarHBondContact N-O 3.02Å; V172-A181 PolarHBondContact O-N 2.88Å; V172-L255 HydrophobicContact CG1-CB 4.09Å; V172-L255 HydrophobicContact CG1-CD1 4.35Å; V172-A259 HydrophobicContact CG2-CB 4.2Å |
| 173 | H | 91.9 | Very high | 88.4 | Confident | 24 Ų | 24 | 47.3 Ų | 47.3 | 11% | 0.111 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 145.9 | 175.4 | -65 | 84.3 | 0 | 0 | 0 | 110.8 | G162 Y163 V171 R178 | G162-H173 WeakPolarHBondContact CA-O 3.19Å; Y163-H173 HydrophobicContact CD1-CB 3.54Å; Y163-H173 HydrophobicContact CE1-CB 3.26Å; Y163-H173 AromaticContact CE1-CG 3.65Å; Y163-H173 HydrophobicContact CE2-CB 4.35Å; Y163-H173 AromaticContact CE2-ND1 3.74Å; Y163-H173 HydrophobicContact CG-CB 4.24Å; Y163-H173 AromaticContact CZ-CG 3.53Å; Y163-H173 AromaticContact CZ-ND1 3.69Å; Y163-H173 PolarHBondContact N-O 2.79Å; Y163-H173 PolarHBondContact O-N 3.06Å; V171-H173 VanDerWaalsContact CG1-CE1 3.42Å; V171-H173 WeakPolarHBondContact CG1-CE1 3.48Å; H173-R178 VanDerWaalsContact CA-O 3.27Å; H173-R178 WeakPolarHBondContact CA-O 3.49Å |
| 174 | N | 91.8 | Very high | 88.3 | Confident | 28 Ų | 28 | 47.6 Ų | 47.6 | 15% | 0.15 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | -177.7 | 170.2 | 75.7 | -10.9 | 0 | 0 | 0 | 111.8 | D176 N177 R178 I180 | N174-D176 PolarHBondContact ND2-OD2 2.89Å; N174-D176 PolarHBondContact O-N 2.72Å; N174-D176 WeakPolarHBondContact OD1-CA 3.42Å; N174-D176 PolarHBondContact OD1-N 2.82Å; N174-N177 PolarHBondContact O-N 2.97Å; N174-N177 PolarHBondContact OD1-N 2.77Å; N174-R178 PolarHBondContact N-O 3.05Å; N174-R178 WeakPolarHBondContact OD1-CB 3.48Å; N174-R178 PolarHBondContact OD1-N 2.87Å; N174-R178 PolarHBondContact OD1-O 2.81Å; N174-I180 HydrophobicContact CB-CD1 4.04Å; N174-I180 HydrophobicContact CB-CG2 3.75Å |
| 175 | A | 91 | Very high | 87.9 | Confident | 41 Ų | 41 | 50.5 Ų | 50.5 | 34% | 0.339 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -23 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y160 L161 N177 | Y160-A175 HydrophobicContact CD1-CB 3.88Å; Y160-A175 HydrophobicContact CE1-CB 4.24Å; L161-A175 PolarHBondContact O-N 2.81Å; L161-A175 VanDerWaalsContact O-N 3.16Å; A175-N177 VanDerWaalsContact C-N 3.29Å; A175-N177 PolarHBondContact O-N 2.86Å |
| 176 | D | 91.6 | Very high | 87.1 | Confident | 119 Ų | 119 | 51.9 Ų | 51.9 | 64% | 0.636 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | 13.5 | 178.1 | -47.8 | -60.9 | 0 | 0 | 0 | 113.1 | N174 R178 | N174-D176 PolarHBondContact ND2-OD2 2.89Å; N174-D176 PolarHBondContact O-N 2.72Å; N174-D176 WeakPolarHBondContact OD1-CA 3.42Å; N174-D176 PolarHBondContact OD1-N 2.82Å; D176-R178 HydrophobicContact CB-CG 4.32Å; D176-R178 PolarHBondContact O-N 2.86Å |
| 177 | N | 88.5 | Confident | 86.2 | Confident | 83 Ų | 83 | 54.3 Ų | 54.3 | 44% | 0.444 | 29% | 0.289 | S | S | . | . | S | Bend | trans | 59 | 25.5 | -175.3 | -60 | -23.8 | 0 | 0 | 0 | 114.7 | Y163 N174 A175 | Y163-N177 HydrophobicContact CE1-CB 4.35Å; Y163-N177 VanDerWaalsContact CE1-OD1 3.28Å; Y163-N177 WeakPolarHBondContact CE1-OD1 3.43Å; N174-N177 PolarHBondContact O-N 2.97Å; N174-N177 PolarHBondContact OD1-N 2.77Å; A175-N177 VanDerWaalsContact C-N 3.29Å; A175-N177 PolarHBondContact O-N 2.86Å |
| 178 | R | 91.1 | Very high | 85.1 | Confident | 142 Ų | 142 | 52.9 Ų | 52.9 | 54% | 0.536 | 28% | 0.279 | S | S | . | . | trans | -92 | 132.4 | 173.9 | -62.2 | -176.9 | 178.2 | -170 | -1.6 | 110.1 | H173 N174 D176 I180 | H173-R178 VanDerWaalsContact CA-O 3.27Å; H173-R178 WeakPolarHBondContact CA-O 3.49Å; N174-R178 PolarHBondContact N-O 3.05Å; N174-R178 WeakPolarHBondContact OD1-CB 3.48Å; N174-R178 PolarHBondContact OD1-N 2.87Å; N174-R178 PolarHBondContact OD1-O 2.81Å; D176-R178 HydrophobicContact CB-CG 4.32Å; D176-R178 PolarHBondContact O-N 2.86Å; R178-I180 PolarHBondContact O-N 2.9Å | ||
| 179 | P | 91.5 | Very high | 84 | Confident | 66 Ų | 66 | 53 Ų | 53 | 43% | 0.429 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 121 | 171.3 | 28 | -33 | 0 | 0 | 0 | 108.4 | V171 E227 | V171-P179 HydrophobicContact CG1-CB 3.87Å; P179-E227 WeakPolarHBondContact O-CB 3.39Å |
| 180 | I | 93.4 | Very high | 82.4 | Confident | 40 Ų | 40 | 54.6 Ų | 54.6 | 21% | 0.205 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | -21 | -179.3 | 55.7 | 172.4 | 0 | 0 | 0 | 112.2 | V172 N174 R178 S226 E227 M252 L255 | V172-I180 HydrophobicContact CB-CG1 4.32Å; V172-I180 HydrophobicContact CG1-CD1 4.05Å; V172-I180 HydrophobicContact CG1-CG1 3.95Å; V172-I180 WeakPolarHBondContact O-CG1 3.17Å; V172-I180 PolarHBondContact O-N 2.69Å; N174-I180 HydrophobicContact CB-CD1 4.04Å; N174-I180 HydrophobicContact CB-CG2 3.75Å; R178-I180 PolarHBondContact O-N 2.9Å; I180-S226 WeakPolarHBondContact O-CA 3.31Å; I180-E227 PolarHBondContact O-N 3.2Å; I180-M252 HydrophobicContact CB-CE 4.22Å; I180-M252 HydrophobicContact CD1-CE 4.02Å; I180-M252 HydrophobicContact CD1-SD 3.44Å; I180-M252 WeakPolarHBondContact CD1-SD 3.23Å; I180-M252 HydrophobicContact CG1-CE 3.95Å; I180-M252 HydrophobicContact CG1-SD 4.06Å; I180-L255 HydrophobicContact CD1-CD1 3.91Å |
| 181 | A | 94 | Very high | 80.4 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.9 | 165.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V172 V225 I233 M252 | V172-A181 HydrophobicContact CB-CB 4.28Å; V172-A181 HydrophobicContact CG2-CB 4.46Å; V172-A181 PolarHBondContact N-O 3.02Å; V172-A181 PolarHBondContact O-N 2.88Å; A181-V225 CarbonylContact C-O 3.57Å; A181-V225 WeakPolarHBondContact CA-O 3.25Å; A181-V225 WeakPolarHBondContact CB-O 3.41Å; A181-I233 HydrophobicContact CB-CD1 3.77Å; A181-M252 HydrophobicContact CB-CE 3.24Å |
| 182 | R | 93.7 | Very high | 78.1 | Confident | 81 Ų | 81 | 61.6 Ų | 61.6 | 31% | 0.306 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 148.7 | 168.1 | 62.5 | 179 | 168.1 | -170.5 | -11.7 | 110.6 | P169 Y170 V171 I184 C224 V225 E227 S230 | P169-R182 HydrophobicContact CB-CB 4.3Å; P169-R182 HydrophobicContact CG-CB 4.41Å; Y170-R182 CarbonylContact O-C 3.52Å; Y170-R182 WeakPolarHBondContact O-CA 3.37Å; V171-R182 HydrophobicContact CG2-CB 4.49Å; R182-I184 HydrophobicContact CG-CG1 4.47Å; R182-C224 WeakPolarHBondContact O-CA 3.43Å; R182-V225 HydrophobicContact CG-CG2 3.41Å; R182-V225 VanDerWaalsContact CG-CG2 3.41Å; R182-V225 PolarHBondContact N-O 3.29Å; R182-V225 PolarHBondContact O-N 2.84Å; R182-E227 WeakPolarHBondContact CD-OE1 3.17Å; R182-E227 WeakPolarHBondContact CG-OE1 3.22Å; R182-E227 IonicContact CZ-OE1 2.71Å; R182-E227 IonicContact NE-OE1 3.93Å; R182-E227 PolarHBondContact NE-OE1 2.85Å; R182-E227 IonicContact NH1-OE1 3.76Å; R182-E227 IonicContact NH2-OE1 3.41Å; R182-E227 PolarHBondContact NH2-OE1 2.93Å; R182-S230 PolarHBondContact NH2-OG 2.95Å; R182-S230 VanDerWaalsContact NH2-OG 3.07Å |
| 183 | V | 92.2 | Very high | 75.5 | Confident | 2 Ų | 2 | 64.4 Ų | 64.4 | 1% | 0.012 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 126.4 | 173.5 | -176.4 | 0 | 0 | 0 | 0 | 109.3 | P169 Y170 L222 T223 C224 A259 F260 L263 | P169-V183 WeakPolarHBondContact CB-O 3.28Å; Y170-V183 HydrophobicContact CD1-CG2 4.44Å; Y170-V183 PolarHBondContact N-O 3.01Å; Y170-V183 PolarHBondContact O-N 2.82Å; V183-L222 HydrophobicContact CG1-CB 4.22Å; V183-L222 HydrophobicContact CG1-CD2 4.33Å; V183-T223 CarbonylContact C-O 3.42Å; V183-T223 WeakPolarHBondContact CA-O 3.33Å; V183-C224 HydrophobicContact CG2-CB 4.38Å; V183-A259 HydrophobicContact CG2-CB 4.16Å; V183-F260 HydrophobicContact CB-CE1 4.34Å; V183-F260 HydrophobicContact CG1-CD1 3.99Å; V183-F260 HydrophobicContact CG1-CE1 3.6Å; V183-F260 HydrophobicContact CG2-CD1 4.09Å; V183-F260 HydrophobicContact CG2-CE1 3.84Å; V183-L263 HydrophobicContact CB-CD1 3.91Å; V183-L263 HydrophobicContact CG1-CD1 3.48Å; V183-L263 VanDerWaalsContact CG1-CD1 3.48Å; V183-L263 HydrophobicContact CG2-CD1 4.27Å |
| 184 | I | 88.7 | Confident | 72.8 | Confident | 29 Ų | 29 | 67.3 Ų | 67.3 | 15% | 0.149 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 129.8 | -178.2 | -62.3 | 170.6 | 0 | 0 | 0 | 108 | R182 E188 I189 T223 V225 | R182-I184 HydrophobicContact CG-CG1 4.47Å; I184-E188 HydrophobicContact CG2-CB 4.26Å; I184-I189 HydrophobicContact CG2-CG1 4.34Å; I184-T223 PolarHBondContact N-O 3.03Å; I184-T223 PolarHBondContact O-N 2.96Å; I184-T223 VanDerWaalsContact O-N 3.09Å; I184-V225 HydrophobicContact CD1-CG1 4.02Å; I184-V225 HydrophobicContact CD1-CG2 3.78Å |
| 185 | R | 82.9 | Confident | 70.1 | Confident | 61 Ų | 61 | 74.9 Ų | 74.9 | 23% | 0.23 | 45% | 0.449 | C | S | . | . | trans | -88.4 | 143.3 | 170.5 | -58.8 | -170 | -157.8 | -147.4 | 11.4 | 109.7 | S187 E188 L222 L263 E267 | R185-S187 PolarHBondContact O-N 2.82Å; R185-E188 PolarHBondContact O-N 2.89Å; R185-L222 HydrophobicContact CG-CD2 3.97Å; R185-L263 VanDerWaalsContact NH2-CD2 3.32Å; R185-E267 IonicContact CZ-OE1 2.82Å; R185-E267 IonicContact NH1-OE1 3.85Å; R185-E267 PolarHBondContact NH1-OE1 3.48Å | ||
| 186 | P | 69.9 | Low | 67.3 | Low | 49 Ų | 49 | 82.5 Ų | 82.5 | 32% | 0.318 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -54.8 | -21.8 | -179.3 | -25.3 | 27.8 | 0 | 0 | 0 | 114.6 | E188 I189 S221 | P186-E188 PolarHBondContact O-N 2.86Å; P186-E188 VanDerWaalsContact O-N 3.16Å; P186-I189 PolarHBondContact O-N 2.88Å; P186-S221 WeakPolarHBondContact CD-O 3.25Å; P186-S221 WeakPolarHBondContact CG-O 3.33Å |
| 187 | S | 59.1 | Low | 64.7 | Low | 87 Ų | 87 | 82.5 Ų | 82.5 | 61% | 0.608 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -56.3 | -24.9 | 173.3 | 47.3 | 0 | 0 | 0 | 0 | 113.4 | R185 | R185-S187 PolarHBondContact O-N 2.82Å |
| 188 | E | 53.6 | Low | 62.2 | Low | 78 Ų | 78 | 82.8 Ų | 82.8 | 36% | 0.364 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -83.5 | -30.3 | 178.6 | -66.7 | -170 | 126.4 | 0 | 0 | 113.6 | I184 R185 P186 A190 A191 | I184-E188 HydrophobicContact CG2-CB 4.26Å; R185-E188 PolarHBondContact O-N 2.89Å; P186-E188 PolarHBondContact O-N 2.86Å; P186-E188 VanDerWaalsContact O-N 3.16Å; E188-A190 VanDerWaalsContact C-N 3.34Å; E188-A190 PolarHBondContact O-N 3.43Å; E188-A191 PolarHBondContact O-N 3.45Å |
| 189 | I | 50.3 | Low | 59.8 | Low | 109 Ų | 109 | 83.3 Ų | 83.3 | 56% | 0.559 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -74.1 | -30.1 | -175.8 | -54.6 | 177 | 0 | 0 | 0 | 110.9 | I184 P186 A191 | I184-I189 HydrophobicContact CG2-CG1 4.34Å; P186-I189 PolarHBondContact O-N 2.88Å; I189-A191 VanDerWaalsContact C-N 3.34Å; I189-A191 PolarHBondContact O-N 2.83Å |
| 190 | A | 45.4 | Very low | 57.3 | Low | 71 Ų | 71 | 86.3 Ų | 86.3 | 59% | 0.587 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -71.9 | -25.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | E188 | E188-A190 VanDerWaalsContact C-N 3.34Å; E188-A190 PolarHBondContact O-N 3.43Å |
| 191 | A | 44.1 | Very low | 54.4 | Low | 86 Ų | 86 | 91.1 Ų | 91.1 | 71% | 0.711 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -81.7 | -27.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | E188 I189 | E188-A191 PolarHBondContact O-N 3.45Å; I189-A191 VanDerWaalsContact C-N 3.34Å; I189-A191 PolarHBondContact O-N 2.83Å |
| 192 | A | 42.7 | Very low | 51.7 | Low | 98 Ų | 98 | 97.8 Ų | 97.8 | 81% | 0.81 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -89.6 | -16.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 193 | G | 38.2 | Very low | 49.3 | Very low | 59 Ų | 59 | 100.6 Ų | 100.6 | 61% | 0.608 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -108.8 | -3.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | Q195 | G193-Q195 VanDerWaalsContact C-N 3.29Å; G193-Q195 PolarHBondContact O-N 3.5Å |
| 194 | A | 36.1 | Very low | 46.5 | Very low | 85 Ų | 85 | 104.3 Ų | 104.3 | 70% | 0.702 | 65% | 0.654 | S | S | * | * | trans | -84.6 | 11.2 | -171 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 195 | Q | 35.1 | Very low | 43.8 | Very low | 186 Ų | 186 | 111.9 Ų | 111.9 | 87% | 0.869 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -116.3 | 114.2 | 166.3 | -73.5 | -171.7 | -17.4 | 0 | 0 | 108.9 | G193 | G193-Q195 VanDerWaalsContact C-N 3.29Å; G193-Q195 PolarHBondContact O-N 3.5Å |
| 196 | K | 32.1 | Very low | 41.5 | Very low | 201 Ų | 201 | 114.5 Ų | 114.5 | 87% | 0.874 | 71% | 0.714 | S | S | * | * | S | Bend | trans | 107.6 | 76 | 166.2 | -157.6 | 179.5 | -170.8 | 179.6 | 0 | 115.8 | ||
| 197 | S | 36.7 | Very low | 40 | Very low | 119 Ų | 119 | 117.9 Ų | 117.9 | 83% | 0.832 | 74% | 0.736 | S | S | * | * | 176.9 | 93 | 121.8 | 32.7 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 198 | A | 36 | Very low | 38.9 | Very low | 90 Ų | 90 | 119.3 Ų | 119.3 | 74% | 0.744 | 74% | 0.743 | S | S | * | * | trans | -72.7 | 124.7 | 146.7 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 199 | D | 39.9 | Very low | 37.8 | Very low | 153 Ų | 153 | 123 Ų | 123 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | 170.5 | 136.8 | 130.6 | -89.5 | -24.4 | 0 | 0 | 0 | 113.1 | ||||
| 200 | V | 39.8 | Very low | 37 | Very low | 129 Ų | 129 | 126.4 Ų | 126.4 | 78% | 0.782 | 78% | 0.782 | S | S | * | * | trans | 87 | 83.1 | 150.3 | -170.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 201 | N | 31 | Very low | 36.3 | Very low | 140 Ų | 140 | 127.7 Ų | 127.7 | 75% | 0.749 | 79% | 0.787 | S | S | * | * | 32.8 | 136.5 | 111.3 | -92.5 | -16.6 | 0 | 0 | 0 | 122.3 | |||||
| 202 | L | 38.9 | Very low | 35.8 | Very low | 140 Ų | 140 | 129.4 Ų | 129.4 | 73% | 0.733 | 79% | 0.794 | S | S | * | * | trans | 80.3 | 100 | 137.9 | -66.2 | 158.7 | 0 | 0 | 0 | 117.9 | ||||
| 203 | T | 42 | Very low | 35.2 | Very low | 141 Ų | 141 | 130.7 Ų | 130.7 | 87% | 0.865 | 79% | 0.787 | S | S | * | * | 151.2 | 133.4 | 107.7 | 45.4 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 204 | G | 33.1 | Very low | 34.8 | Very low | 79 Ų | 79 | 135 Ų | 135 | 81% | 0.814 | 80% | 0.797 | S | S | * | * | trans | 99.5 | 111.2 | 149.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 205 | E | 32.4 | Very low | 34.5 | Very low | 189 Ų | 189 | 138.3 Ų | 138.3 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | trans | 91.7 | 113.3 | 152 | -141.5 | 175.5 | 151.6 | 0 | 0 | 118.9 | ||||
| 206 | P | 34.2 | Very low | 34.3 | Very low | 116 Ų | 116 | 133.6 Ų | 133.6 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 130.2 | 173.3 | 34.3 | -26.4 | 0 | 0 | 0 | 111.3 | ||
| 207 | P | 40 | Very low | 34.8 | Very low | 120 Ų | 120 | 129 Ų | 129 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 138.3 | 165 | 29.4 | -23.4 | 0 | 0 | 0 | 110.5 | ||
| 208 | P | 35.5 | Very low | 35.4 | Very low | 117 Ų | 117 | 128.2 Ų | 128.2 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 138.1 | -173 | 33.1 | -32.6 | 0 | 0 | 0 | 113.4 | ||
| 209 | L | 30.5 | Very low | 36.6 | Very low | 154 Ų | 154 | 127.5 Ų | 127.5 | 81% | 0.806 | 78% | 0.777 | S | S | * | * | trans | 33 | 107 | 132.5 | -57.1 | 173.9 | 0 | 0 | 0 | 118.6 | ||||
| 210 | L | 34.3 | Very low | 38.2 | Very low | 181 Ų | 181 | 122.3 Ų | 122.3 | 95% | 0.948 | 75% | 0.748 | S | S | * | * | -144.7 | 104.4 | 127 | -84.3 | -177 | 0 | 0 | 0 | 109.6 | |||||
| 211 | S | 29 | Very low | 40.4 | Very low | 99 Ų | 99 | 118.1 Ų | 118.1 | 69% | 0.692 | 73% | 0.725 | S | S | * | * | trans | -64.1 | 135.6 | 161.7 | 5.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 212 | S | 34.1 | Very low | 43.3 | Very low | 122 Ų | 122 | 111.6 Ų | 111.6 | 85% | 0.853 | 69% | 0.69 | S | S | * | * | trans | -137.5 | 114.1 | 147 | -172.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 213 | D | 30.2 | Very low | 46 | Very low | 124 Ų | 124 | 106.5 Ų | 106.5 | 66% | 0.663 | 67% | 0.665 | S | S | * | * | trans | -65.1 | 156 | -177.8 | -64 | -55.4 | 0 | 0 | 0 | 112.8 | ||||
| 214 | N | 31.1 | Very low | 48.5 | Very low | 151 Ų | 151 | 99.8 Ų | 99.8 | 81% | 0.807 | 62% | 0.624 | S | S | * | * | trans | 94.8 | 121.4 | 148.5 | -58.1 | -38.4 | 0 | 0 | 0 | 119.4 | ||||
| 215 | N | 29.7 | Very low | 51.4 | Low | 153 Ų | 153 | 96.6 Ų | 96.6 | 82% | 0.818 | 59% | 0.588 | S | S | * | * | trans | 76.2 | 83.7 | 168.6 | -76.5 | 3.7 | 0 | 0 | 0 | 117.4 | S217 | N215-S217 PolarHBondContact O-N 2.67Š| ||
| 216 | G | 29.8 | Very low | 54.4 | Low | 87 Ų | 87 | 88.3 Ų | 88.3 | 90% | 0.897 | 55% | 0.551 | S | S | * | * | 43.3 | 26.6 | 126.9 | 0 | 0 | 0 | 0 | 0 | 119.3 | T218 | G216-T218 PolarHBondContact O-N 3.49Å; G216-T218 VanDerWaalsContact O-N 3.12Å | |||
| 217 | S | 42.2 | Very low | 57 | Low | 106 Ų | 106 | 85.4 Ų | 85.4 | 74% | 0.741 | 53% | 0.528 | S | S | * | . | trans | -74.6 | 102.7 | 177.4 | 158.7 | 0 | 0 | 0 | 0 | 106.9 | N215 S219 | N215-S217 PolarHBondContact O-N 2.67Å; S217-S219 PolarHBondContact O-N 3.42Å | ||
| 218 | T | 50.9 | Low | 59.2 | Low | 101 Ų | 101 | 84.7 Ų | 84.7 | 62% | 0.62 | 52% | 0.523 | S | S | * | . | trans | -50.4 | 124.9 | 161.2 | 32.7 | 0 | 0 | 0 | 0 | 107.6 | G216 I220 | G216-T218 PolarHBondContact O-N 3.49Å; G216-T218 VanDerWaalsContact O-N 3.12Å; T218-I220 PolarHBondContact O-N 2.96Å | ||
| 219 | S | 60.8 | Low | 61.6 | Low | 76 Ų | 76 | 85.2 Ų | 85.2 | 53% | 0.531 | 52% | 0.52 | S | S | . | . | trans | -60.9 | 104.6 | 176 | 52.2 | 0 | 0 | 0 | 0 | 108.6 | S217 S221 N238 | S217-S219 PolarHBondContact O-N 3.42Å; S219-S221 PolarHBondContact O-N 3.44Å; S219-N238 WeakPolarHBondContact CA-OD1 3.38Å; S219-N238 WeakPolarHBondContact CB-ND2 3.29Å; S219-N238 VanDerWaalsContact CB-OD1 3.3Å; S219-N238 WeakPolarHBondContact CB-OD1 3.26Å | ||
| 220 | I | 72.5 | Confident | 64.5 | Low | 43 Ų | 43 | 80.6 Ų | 80.6 | 22% | 0.221 | 50% | 0.5 | C | S | . | . | trans | -78.3 | 83 | 175.7 | -49.4 | -179.9 | 0 | 0 | 0 | 107.5 | T218 L222 L236 D237 N238 I264 | T218-I220 PolarHBondContact O-N 2.96Å; I220-L222 HydrophobicContact CG2-CD1 4.2Å; I220-L222 HydrophobicContact CG2-CG 4.1Å; I220-L236 HydrophobicContact CG2-CD2 4.42Å; I220-D237 CarbonylContact O-C 3.57Å; I220-N238 PolarHBondContact N-OD1 3.07Å; I220-N238 PolarHBondContact O-OD1 3.37Å; I220-I264 HydrophobicContact CD1-CG2 4.02Å; I220-I264 HydrophobicContact CG2-CG1 4.05Å | ||
| 221 | S | 87.1 | Confident | 67.2 | Low | 42 Ų | 42 | 73.5 Ų | 73.5 | 29% | 0.294 | 47% | 0.466 | S | S | . | . | trans | -101.2 | 127.5 | 163.4 | 171.4 | 0 | 0 | 0 | 0 | 106.6 | P186 S219 L236 N238 | P186-S221 WeakPolarHBondContact CD-O 3.25Å; P186-S221 WeakPolarHBondContact CG-O 3.33Å; S219-S221 PolarHBondContact O-N 3.44Å; S221-L236 CarbonylContact C-O 3.33Å; S221-L236 VanDerWaalsContact CA-O 3.31Å; S221-L236 WeakPolarHBondContact CA-O 3.33Å; S221-N238 PolarHBondContact N-OD1 2.74Å | ||
| 222 | L | 92.1 | Very high | 70.3 | Confident | 2 Ų | 2 | 71.9 Ų | 71.9 | 1% | 0.01 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 140.3 | 176.7 | -62.5 | 173.6 | 0 | 0 | 0 | 108.2 | V183 R185 I220 S235 L236 F260 L263 I264 | V183-L222 HydrophobicContact CG1-CB 4.22Å; V183-L222 HydrophobicContact CG1-CD2 4.33Å; R185-L222 HydrophobicContact CG-CD2 3.97Å; I220-L222 HydrophobicContact CG2-CD1 4.2Å; I220-L222 HydrophobicContact CG2-CG 4.1Å; L222-S235 CarbonylContact O-C 3.58Å; L222-S235 VanDerWaalsContact O-CA 3.3Å; L222-S235 WeakPolarHBondContact O-CA 3.46Å; L222-L236 HydrophobicContact CB-CB 4.22Å; L222-L236 HydrophobicContact CD1-CD2 4.19Å; L222-L236 PolarHBondContact N-O 2.95Å; L222-L236 PolarHBondContact O-N 3.19Å; L222-F260 HydrophobicContact CB-CD1 4.15Å; L222-F260 HydrophobicContact CB-CE1 3.87Å; L222-F260 HydrophobicContact CB-CZ 4.15Å; L222-F260 HydrophobicContact CD1-CB 4.4Å; L222-F260 HydrophobicContact CD1-CD1 3.99Å; L222-F260 HydrophobicContact CD1-CG 4.26Å; L222-L263 HydrophobicContact CD1-CB 4.02Å; L222-L263 HydrophobicContact CD1-CD1 4.19Å; L222-L263 HydrophobicContact CD2-CD1 4.48Å; L222-I264 HydrophobicContact CD1-CG1 4.38Å |
| 223 | T | 94.1 | Very high | 73.3 | Confident | 33 Ų | 33 | 66.7 Ų | 66.7 | 20% | 0.202 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 133.6 | 175.2 | -59.4 | 0 | 0 | 0 | 0 | 109.2 | V183 I184 V225 | V183-T223 CarbonylContact C-O 3.42Å; V183-T223 WeakPolarHBondContact CA-O 3.33Å; I184-T223 PolarHBondContact N-O 3.03Å; I184-T223 PolarHBondContact O-N 2.96Å; I184-T223 VanDerWaalsContact O-N 3.09Å; T223-V225 HydrophobicContact CG2-CG1 4.27Å |
| 224 | C | 94.7 | Very high | 76.5 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 127.1 | 174.3 | -168.4 | 0 | 0 | 0 | 0 | 109.1 | R182 V183 I233 A234 V256 F260 | R182-C224 WeakPolarHBondContact O-CA 3.43Å; V183-C224 HydrophobicContact CG2-CB 4.38Å; C224-I233 HydrophobicContact CB-CG1 4.16Å; C224-I233 VanDerWaalsContact O-CG1 3.3Å; C224-I233 WeakPolarHBondContact O-CG1 3.41Å; C224-I233 PolarHBondContact O-N 3.26Å; C224-A234 HydrophobicContact CB-CB 4.06Å; C224-A234 PolarHBondContact N-O 3.34Å; C224-A234 PolarHBondContact O-N 3.35Å; C224-V256 HydrophobicContact CB-CG1 3.88Å; C224-F260 HydrophobicContact CB-CE1 3.84Å; C224-F260 HydrophobicContact CB-CZ 3.72Å |
| 225 | V | 94.9 | Very high | 79.5 | Confident | 12 Ų | 12 | 55.5 Ų | 55.5 | 7% | 0.073 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 143.1 | 177.2 | -59.1 | 0 | 0 | 0 | 0 | 110 | A181 R182 I184 T223 S231 | A181-V225 CarbonylContact C-O 3.57Å; A181-V225 WeakPolarHBondContact CA-O 3.25Å; A181-V225 WeakPolarHBondContact CB-O 3.41Å; R182-V225 HydrophobicContact CG-CG2 3.41Å; R182-V225 VanDerWaalsContact CG-CG2 3.41Å; R182-V225 PolarHBondContact N-O 3.29Å; R182-V225 PolarHBondContact O-N 2.84Å; I184-V225 HydrophobicContact CD1-CG1 4.02Å; I184-V225 HydrophobicContact CD1-CG2 3.78Å; T223-V225 HydrophobicContact CG2-CG1 4.27Å; V225-S231 CarbonylContact C-O 3.6Å; V225-S231 WeakPolarHBondContact CA-O 3.48Å |
| 226 | S | 94.1 | Very high | 82.7 | Confident | 16 Ų | 16 | 48.4 Ų | 48.4 | 11% | 0.112 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 147.6 | 173.9 | 60 | 0 | 0 | 0 | 0 | 111.1 | I180 S230 S231 | I180-S226 WeakPolarHBondContact O-CA 3.31Å; S226-S230 WeakPolarHBondContact O-CA 3.44Å; S226-S230 PolarHBondContact O-N 3.17Å; S226-S231 PolarHBondContact N-O 3.16Å; S226-S231 PolarHBondContact OG-N 3.49Å; S226-S231 PolarHBondContact OG-O 2.96Å; S226-S231 PolarHBondContact OG-OG 3.22Å |
| 227 | E | 90 | Very high | 85.6 | Confident | 54 Ų | 54 | 46.2 Ų | 46.2 | 25% | 0.252 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105 | 138.9 | 167.2 | -70.6 | -62.8 | 152.1 | 0 | 0 | 109.2 | P179 I180 R182 | P179-E227 WeakPolarHBondContact O-CB 3.39Å; I180-E227 PolarHBondContact O-N 3.2Å; R182-E227 WeakPolarHBondContact CD-OE1 3.17Å; R182-E227 WeakPolarHBondContact CG-OE1 3.22Å; R182-E227 IonicContact CZ-OE1 2.71Å; R182-E227 IonicContact NE-OE1 3.93Å; R182-E227 PolarHBondContact NE-OE1 2.85Å; R182-E227 IonicContact NH1-OE1 3.76Å; R182-E227 IonicContact NH2-OE1 3.41Å; R182-E227 PolarHBondContact NH2-OE1 2.93Å |
| 228 | P | 85 | Confident | 87.9 | Confident | 105 Ų | 105 | 45.8 Ų | 45.8 | 68% | 0.682 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -87.6 | -11.2 | 1.6 | 34.8 | -35.2 | 0 | 0 | 0 | 114.4 | S230 | P228-S230 PolarHBondContact O-N 2.97Š|
| 229 | D | 87.6 | Confident | 89.7 | Confident | 129 Ų | 129 | 46.8 Ų | 46.8 | 69% | 0.69 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -10.4 | -166.1 | -61.6 | -29 | 0 | 0 | 0 | 114.9 | S231 | D229-S231 PolarHBondContact O-N 2.85Š|
| 230 | S | 89.6 | Confident | 91.2 | Very high | 57 Ų | 57 | 43.9 Ų | 43.9 | 40% | 0.399 | 26% | 0.262 | S | S | . | . | trans | 51.7 | 25.3 | -174.9 | -65.2 | 0 | 0 | 0 | 0 | 113.6 | R182 S226 P228 | R182-S230 PolarHBondContact NH2-OG 2.95Å; R182-S230 VanDerWaalsContact NH2-OG 3.07Å; S226-S230 WeakPolarHBondContact O-CA 3.44Å; S226-S230 PolarHBondContact O-N 3.17Å; P228-S230 PolarHBondContact O-N 2.97Å | ||
| 231 | S | 92.6 | Very high | 92.3 | Very high | 32 Ų | 32 | 42.6 Ų | 42.6 | 22% | 0.224 | 26% | 0.256 | C | S | . | . | trans | -78.7 | 134.8 | 178.4 | 81.5 | 0 | 0 | 0 | 0 | 109.6 | V225 S226 D229 I233 | V225-S231 CarbonylContact C-O 3.6Å; V225-S231 WeakPolarHBondContact CA-O 3.48Å; S226-S231 PolarHBondContact N-O 3.16Å; S226-S231 PolarHBondContact OG-N 3.49Å; S226-S231 PolarHBondContact OG-O 2.96Å; S226-S231 PolarHBondContact OG-OG 3.22Å; D229-S231 PolarHBondContact O-N 2.85Å; S231-I233 PolarHBondContact O-N 3.23Å; S231-I233 VanDerWaalsContact O-N 3.16Å | ||
| 232 | C | 93.9 | Very high | 92.8 | Very high | 65 Ų | 65 | 40.6 Ų | 40.6 | 44% | 0.439 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 117.3 | 177 | -177.1 | 0 | 0 | 0 | 0 | 109.7 | ||
| 233 | I | 96.3 | Very high | 93 | Very high | 12 Ų | 12 | 44.5 Ų | 44.5 | 6% | 0.062 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | -23.9 | 179.7 | 56.8 | 168.4 | 0 | 0 | 0 | 112.4 | A181 C224 S231 Y244 D245 V248 M252 V256 | A181-I233 HydrophobicContact CB-CD1 3.77Å; C224-I233 HydrophobicContact CB-CG1 4.16Å; C224-I233 VanDerWaalsContact O-CG1 3.3Å; C224-I233 WeakPolarHBondContact O-CG1 3.41Å; C224-I233 PolarHBondContact O-N 3.26Å; S231-I233 PolarHBondContact O-N 3.23Å; S231-I233 VanDerWaalsContact O-N 3.16Å; I233-Y244 CarbonylContact O-C 3.57Å; I233-Y244 WeakPolarHBondContact O-CA 3.32Å; I233-D245 PolarHBondContact O-N 3.15Å; I233-V248 HydrophobicContact CB-CG2 3.73Å; I233-V248 HydrophobicContact CG2-CG2 4.13Å; I233-V248 WeakPolarHBondContact O-CG2 3.08Å; I233-M252 HydrophobicContact CD1-CE 3.27Å; I233-M252 HydrophobicContact CD1-CG 4.3Å; I233-V256 HydrophobicContact CD1-CG2 4.11Å |
| 234 | A | 96.7 | Very high | 93.2 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 2% | 0.017 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 156.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | C224 L242 K243 Y244 V256 F260 | C224-A234 HydrophobicContact CB-CB 4.06Å; C224-A234 PolarHBondContact N-O 3.34Å; C224-A234 PolarHBondContact O-N 3.35Å; A234-L242 HydrophobicContact CB-CD1 4.36Å; A234-K243 CarbonylContact C-O 3.58Å; A234-K243 WeakPolarHBondContact CA-O 3.4Å; A234-Y244 HydrophobicContact CB-CD1 3.66Å; A234-Y244 HydrophobicContact CB-CE1 3.86Å; A234-Y244 HydrophobicContact CB-CG 4.46Å; A234-V256 HydrophobicContact CB-CG1 3.68Å; A234-F260 HydrophobicContact CB-CE2 4.13Å; A234-F260 HydrophobicContact CB-CZ 4.21Å |
| 235 | S | 95.9 | Very high | 93.2 | Very high | 38 Ų | 38 | 45.8 Ų | 45.8 | 27% | 0.266 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 144.9 | 170.1 | 54.6 | 0 | 0 | 0 | 0 | 110.1 | L222 L242 K243 | L222-S235 CarbonylContact O-C 3.58Å; L222-S235 VanDerWaalsContact O-CA 3.3Å; L222-S235 WeakPolarHBondContact O-CA 3.46Å; S235-L242 CarbonylContact O-C 3.56Å; S235-L242 WeakPolarHBondContact O-CA 3.46Å; S235-L242 WeakPolarHBondContact O-CD1 3.47Å; S235-K243 PolarHBondContact N-O 2.8Å; S235-K243 PolarHBondContact O-N 2.81Å |
| 236 | L | 95.4 | Very high | 93.2 | Very high | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.026 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 124.7 | 169.2 | -180 | 67.1 | 0 | 0 | 0 | 107.6 | I92 I220 S221 L222 I241 L242 F260 I264 | I92-L236 HydrophobicContact CD1-CD1 4.07Å; I220-L236 HydrophobicContact CG2-CD2 4.42Å; S221-L236 CarbonylContact C-O 3.33Å; S221-L236 VanDerWaalsContact CA-O 3.31Å; S221-L236 WeakPolarHBondContact CA-O 3.33Å; L222-L236 HydrophobicContact CB-CB 4.22Å; L222-L236 HydrophobicContact CD1-CD2 4.19Å; L222-L236 PolarHBondContact N-O 2.95Å; L222-L236 PolarHBondContact O-N 3.19Å; L236-I241 WeakPolarHBondContact CA-O 3.1Å; L236-L242 HydrophobicContact CD1-CB 4.2Å; L236-F260 HydrophobicContact CB-CD2 3.78Å; L236-F260 HydrophobicContact CB-CE2 3.78Å; L236-F260 HydrophobicContact CD2-CB 4.5Å; L236-F260 HydrophobicContact CD2-CD2 4.44Å; L236-I264 HydrophobicContact CD2-CD1 3.33Å; L236-I264 HydrophobicContact CD2-CG1 3.89Å |
| 237 | D | 92 | Very high | 93.1 | Very high | 40 Ų | 40 | 56.9 Ų | 56.9 | 21% | 0.214 | 32% | 0.318 | C | S | . | . | trans | -93.8 | 170.3 | 175.2 | 73.6 | 21.1 | 0 | 0 | 0 | 112.7 | I220 N239 G240 I241 K243 | I220-D237 CarbonylContact O-C 3.57Å; D237-N239 PolarHBondContact O-N 2.9Å; D237-N239 WeakPolarHBondContact OD1-CA 3.44Å; D237-N239 WeakPolarHBondContact OD1-CB 3.42Å; D237-N239 PolarHBondContact OD1-N 3.47Å; D237-G240 PolarHBondContact O-N 3.39Å; D237-G240 PolarHBondContact OD1-N 3.24Å; D237-I241 PolarHBondContact N-O 3.06Å; D237-I241 WeakPolarHBondContact OD1-CB 3.37Å; D237-I241 PolarHBondContact OD1-N 2.84Å; D237-I241 WeakPolarHBondContact OD2-CB 3.39Å; D237-K243 IonicContact OD2-NZ 3.49Å | ||
| 238 | N | 89.2 | Confident | 93.3 | Very high | 97 Ų | 97 | 54.9 Ų | 54.9 | 52% | 0.519 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -15.8 | -179.4 | -59.8 | -24.4 | 0 | 0 | 0 | 113.8 | S219 I220 S221 G240 | S219-N238 WeakPolarHBondContact CA-OD1 3.38Å; S219-N238 WeakPolarHBondContact CB-ND2 3.29Å; S219-N238 VanDerWaalsContact CB-OD1 3.3Å; S219-N238 WeakPolarHBondContact CB-OD1 3.26Å; I220-N238 PolarHBondContact N-OD1 3.07Å; I220-N238 PolarHBondContact O-OD1 3.37Å; S221-N238 PolarHBondContact N-OD1 2.74Å; N238-G240 VanDerWaalsContact C-N 3.27Å |
| 239 | N | 89.8 | Confident | 93.7 | Very high | 122 Ų | 122 | 52 Ų | 52 | 65% | 0.652 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | 6.5 | 178 | -59.2 | -36.2 | 0 | 0 | 0 | 112 | D237 I241 | D237-N239 PolarHBondContact O-N 2.9Å; D237-N239 WeakPolarHBondContact OD1-CA 3.44Å; D237-N239 WeakPolarHBondContact OD1-CB 3.42Å; D237-N239 PolarHBondContact OD1-N 3.47Å; N239-I241 VanDerWaalsContact C-N 3.26Å; N239-I241 HydrophobicContact CB-CG1 4.27Å; N239-I241 PolarHBondContact O-N 2.78Å |
| 240 | G | 92 | Very high | 94.1 | Very high | 15 Ų | 15 | 48 Ų | 48 | 16% | 0.155 | 28% | 0.277 | C | S | . | . | S | Bend | trans | 73.3 | 15.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | R91 I92 D237 N238 L242 | R91-G240 CarbonylContact C-O 3.55Å; R91-G240 WeakPolarHBondContact CA-O 3.46Å; I92-G240 PolarHBondContact N-O 3.2Å; D237-G240 PolarHBondContact O-N 3.39Å; D237-G240 PolarHBondContact OD1-N 3.24Å; N238-G240 VanDerWaalsContact C-N 3.27Å; G240-L242 PolarHBondContact O-N 3.26Å |
| 241 | I | 95.5 | Very high | 94.2 | Very high | 17 Ų | 17 | 48.5 Ų | 48.5 | 9% | 0.087 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 115.9 | 175.5 | -54.3 | -64.1 | 0 | 0 | 0 | 108.9 | F90 R91 L104 L236 D237 N239 K243 | F90-I241 CarbonylContact O-C 3.47Å; F90-I241 WeakPolarHBondContact O-CA 3.35Å; R91-I241 HydrophobicContact CB-CD1 4.17Å; R91-I241 HydrophobicContact CG-CD1 4.32Å; R91-I241 VanDerWaalsContact CZ-CD1 3.46Å; L104-I241 HydrophobicContact CD2-CD1 4.01Å; L104-I241 HydrophobicContact CD2-CG2 4.49Å; L236-I241 WeakPolarHBondContact CA-O 3.1Å; D237-I241 PolarHBondContact N-O 3.06Å; D237-I241 WeakPolarHBondContact OD1-CB 3.37Å; D237-I241 PolarHBondContact OD1-N 2.84Å; D237-I241 WeakPolarHBondContact OD2-CB 3.39Å; N239-I241 VanDerWaalsContact C-N 3.26Å; N239-I241 HydrophobicContact CB-CG1 4.27Å; N239-I241 PolarHBondContact O-N 2.78Å; I241-K243 HydrophobicContact CG2-CD 4.48Å; I241-K243 HydrophobicContact CG2-CG 3.88Å |
| 242 | L | 96.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 120.3 | 172.1 | 175.8 | 54.4 | 0 | 0 | 0 | 109.3 | Q89 F90 I92 A234 S235 L236 G240 Y244 L257 F260 | Q89-L242 CarbonylContact C-O 3.59Å; Q89-L242 VanDerWaalsContact CA-O 3.29Å; Q89-L242 WeakPolarHBondContact CA-O 3.46Å; F90-L242 HydrophobicContact CB-CB 4.46Å; F90-L242 PolarHBondContact N-O 3.27Å; F90-L242 PolarHBondContact O-N 3.07Å; I92-L242 HydrophobicContact CD1-CB 4.35Å; I92-L242 HydrophobicContact CD1-CD2 4.1Å; I92-L242 HydrophobicContact CG1-CB 4.39Å; A234-L242 HydrophobicContact CB-CD1 4.36Å; S235-L242 CarbonylContact O-C 3.56Å; S235-L242 WeakPolarHBondContact O-CA 3.46Å; S235-L242 WeakPolarHBondContact O-CD1 3.47Å; L236-L242 HydrophobicContact CD1-CB 4.2Å; G240-L242 PolarHBondContact O-N 3.26Å; L242-Y244 HydrophobicContact CD1-CE2 4.17Å; L242-Y244 HydrophobicContact CD2-CE2 3.5Å; L242-Y244 WeakPolarHBondContact CD2-OH 3.28Å; L242-Y244 HydrophobicContact CG-CD2 4.15Å; L242-Y244 HydrophobicContact CG-CE2 3.57Å; L242-L257 HydrophobicContact CD2-CD1 3.71Å; L242-F260 HydrophobicContact CD1-CD2 3.52Å; L242-F260 HydrophobicContact CD1-CE2 3.42Å; L242-F260 VanDerWaalsContact CD1-CE2 3.42Å |
| 243 | K | 97.2 | Very high | 94.3 | Very high | 84 Ų | 84 | 45.6 Ų | 45.6 | 37% | 0.365 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 127.9 | 178 | -56.4 | 178.4 | -177.7 | 163 | 0 | 109.1 | T88 Q89 A234 S235 D237 I241 | T88-K243 CarbonylContact O-C 3.54Å; T88-K243 WeakPolarHBondContact O-CA 3.23Å; Q89-K243 HydrophobicContact CG-CG 4.17Å; A234-K243 CarbonylContact C-O 3.58Å; A234-K243 WeakPolarHBondContact CA-O 3.4Å; S235-K243 PolarHBondContact N-O 2.8Å; S235-K243 PolarHBondContact O-N 2.81Å; D237-K243 IonicContact OD2-NZ 3.49Å; I241-K243 HydrophobicContact CG2-CD 4.48Å; I241-K243 HydrophobicContact CG2-CG 3.88Å |
| 244 | Y | 97.6 | Very high | 94.3 | Very high | 16 Ų | 16 | 45.7 Ų | 45.7 | 6% | 0.063 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 148.6 | 172.1 | -69.7 | -80 | 0 | 0 | 0 | 110.8 | T88 F90 I233 A234 L242 V248 K253 V256 L257 | T88-Y244 PolarHBondContact O-N 2.95Å; F90-Y244 AromaticContact CD2-CD2 3.85Å; F90-Y244 HydrophobicContact CD2-CD2 3.85Å; F90-Y244 AromaticContact CD2-CE2 3.7Å; F90-Y244 HydrophobicContact CD2-CE2 3.7Å; F90-Y244 AromaticContact CE2-CD2 3.68Å; F90-Y244 HydrophobicContact CE2-CD2 3.68Å; F90-Y244 AromaticContact CE2-CE2 3.74Å; F90-Y244 HydrophobicContact CE2-CE2 3.74Å; I233-Y244 CarbonylContact O-C 3.57Å; I233-Y244 WeakPolarHBondContact O-CA 3.32Å; A234-Y244 HydrophobicContact CB-CD1 3.66Å; A234-Y244 HydrophobicContact CB-CE1 3.86Å; A234-Y244 HydrophobicContact CB-CG 4.46Å; L242-Y244 HydrophobicContact CD1-CE2 4.17Å; L242-Y244 HydrophobicContact CD2-CE2 3.5Å; L242-Y244 WeakPolarHBondContact CD2-OH 3.28Å; L242-Y244 HydrophobicContact CG-CD2 4.15Å; L242-Y244 HydrophobicContact CG-CE2 3.57Å; Y244-V248 HydrophobicContact CD1-CG1 4.21Å; Y244-K253 HydrophobicContact CD1-CB 4.43Å; Y244-K253 HydrophobicContact CD1-CG 3.75Å; Y244-K253 HydrophobicContact CD2-CD 4.29Å; Y244-K253 HydrophobicContact CD2-CG 4.15Å; Y244-K253 HydrophobicContact CE1-CB 3.95Å; Y244-K253 HydrophobicContact CE1-CG 3.79Å; Y244-K253 HydrophobicContact CE2-CB 4.29Å; Y244-K253 HydrophobicContact CE2-CG 4.16Å; Y244-K253 HydrophobicContact CG-CD 4.31Å; Y244-K253 HydrophobicContact CG-CG 3.91Å; Y244-K253 PolarHBondContact OH-O 2.93Å; Y244-V256 HydrophobicContact CE1-CB 4.1Å; Y244-V256 HydrophobicContact CE1-CG1 4.03Å; Y244-L257 WeakPolarHBondContact OH-CB 3.17Å; Y244-L257 PolarHBondContact OH-N 3.13Å |
| 245 | D | 95.8 | Very high | 94.1 | Very high | 44 Ų | 44 | 45.6 Ų | 45.6 | 24% | 0.235 | 25% | 0.25 | C | S | . | . | trans | -63.4 | 142.2 | 161.4 | -177.9 | -64.8 | 0 | 0 | 0 | 109.4 | I233 R247 V248 | I233-D245 PolarHBondContact O-N 3.15Å; D245-R247 PolarHBondContact O-N 3.38Å; D245-R247 VanDerWaalsContact O-N 3.13Å; D245-R247 VanDerWaalsContact OD1-CB 3.23Å; D245-R247 WeakPolarHBondContact OD1-CB 3.39Å; D245-R247 VanDerWaalsContact OD1-CG 3.29Å; D245-R247 WeakPolarHBondContact OD1-CG 3.29Å; D245-R247 IonicContact OD1-CZ 2.86Å; D245-R247 PolarHBondContact OD1-N 3.4Å; D245-R247 IonicContact OD1-NE 3.82Å; D245-R247 PolarHBondContact OD1-NE 2.9Å; D245-R247 IonicContact OD1-NH2 3.15Å; D245-R247 IonicContact OD2-CZ 2.8Å; D245-R247 IonicContact OD2-NE 3.68Å; D245-R247 PolarHBondContact OD2-NE 3.13Å; D245-R247 IonicContact OD2-NH2 3.71Å; D245-R247 PolarHBondContact OD2-NH2 3.12Å; D245-V248 HydrophobicContact CB-CG2 3.94Å; D245-V248 WeakPolarHBondContact O-CB 3.47Å; D245-V248 WeakPolarHBondContact O-CG2 3.42Å; D245-V248 PolarHBondContact O-N 2.9Å; D245-V248 VanDerWaalsContact O-N 3.13Å | ||
| 246 | A | 93.6 | Very high | 94.1 | Very high | 79 Ų | 79 | 43.9 Ų | 43.9 | 65% | 0.653 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -21.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | T88 V248 | T88-A246 HydrophobicContact CG2-CB 4.17Å; A246-V248 VanDerWaalsContact C-N 3.32Å |
| 247 | R | 93 | Very high | 94.1 | Very high | 182 Ų | 182 | 44 Ų | 44 | 69% | 0.687 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81 | -10.8 | -179.6 | -58.9 | 170.7 | -69.6 | 162 | 3.5 | 113.3 | D245 G249 | D245-R247 PolarHBondContact O-N 3.38Å; D245-R247 VanDerWaalsContact O-N 3.13Å; D245-R247 VanDerWaalsContact OD1-CB 3.23Å; D245-R247 WeakPolarHBondContact OD1-CB 3.39Å; D245-R247 VanDerWaalsContact OD1-CG 3.29Å; D245-R247 WeakPolarHBondContact OD1-CG 3.29Å; D245-R247 IonicContact OD1-CZ 2.86Å; D245-R247 PolarHBondContact OD1-N 3.4Å; D245-R247 IonicContact OD1-NE 3.82Å; D245-R247 PolarHBondContact OD1-NE 2.9Å; D245-R247 IonicContact OD1-NH2 3.15Å; D245-R247 IonicContact OD2-CZ 2.8Å; D245-R247 IonicContact OD2-NE 3.68Å; D245-R247 PolarHBondContact OD2-NE 3.13Å; D245-R247 IonicContact OD2-NH2 3.71Å; D245-R247 PolarHBondContact OD2-NH2 3.12Å; R247-G249 PolarHBondContact O-N 3.12Å |
| 248 | V | 93.8 | Very high | 94.2 | Very high | 12 Ų | 12 | 42.1 Ų | 42.1 | 7% | 0.073 | 23% | 0.228 | C | C | . | . | trans | -76.1 | 117.1 | -174.2 | -173.8 | 0 | 0 | 0 | 0 | 110.3 | I233 Y244 D245 A246 M252 K253 | I233-V248 HydrophobicContact CB-CG2 3.73Å; I233-V248 HydrophobicContact CG2-CG2 4.13Å; I233-V248 WeakPolarHBondContact O-CG2 3.08Å; Y244-V248 HydrophobicContact CD1-CG1 4.21Å; D245-V248 HydrophobicContact CB-CG2 3.94Å; D245-V248 WeakPolarHBondContact O-CB 3.47Å; D245-V248 WeakPolarHBondContact O-CG2 3.42Å; D245-V248 PolarHBondContact O-N 2.9Å; D245-V248 VanDerWaalsContact O-N 3.13Å; A246-V248 VanDerWaalsContact C-N 3.32Å; V248-M252 HydrophobicContact CG1-CB 3.63Å; V248-M252 HydrophobicContact CG1-CG 3.63Å; V248-K253 HydrophobicContact CB-CG 4.26Å; V248-K253 HydrophobicContact CG1-CG 3.75Å; V248-K253 WeakPolarHBondContact O-CE 3.48Å | ||
| 249 | G | 94 | Very high | 94.3 | Very high | 44 Ų | 44 | 37.5 Ų | 37.5 | 45% | 0.454 | 20% | 0.204 | S | C | . | . | trans | -68.3 | 165.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | R247 Q251 M252 K253 | R247-G249 PolarHBondContact O-N 3.12Å; G249-Q251 PolarHBondContact O-N 2.89Å; G249-M252 PolarHBondContact O-N 3.41Å; G249-K253 WeakPolarHBondContact O-CG 3.47Å; G249-K253 PolarHBondContact O-N 3.23Å | ||
| 250 | L | 94.4 | Very high | 94.5 | Very high | 44 Ų | 44 | 31.7 Ų | 31.7 | 23% | 0.23 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -56.8 | -48.2 | -174.8 | 177.9 | 63.1 | 0 | 0 | 0 | 113.5 | L81 I84 A85 M252 K253 L254 | L81-L250 HydrophobicContact CB-CD2 4.08Å; L81-L250 HydrophobicContact CD2-CD1 4.36Å; L81-L250 HydrophobicContact CD2-CD2 4.48Å; I84-L250 HydrophobicContact CB-CD1 4.11Å; I84-L250 HydrophobicContact CG2-CD1 3.72Å; A85-L250 HydrophobicContact CB-CB 4.1Å; A85-L250 HydrophobicContact CB-CD1 4.35Å; L250-M252 VanDerWaalsContact C-N 3.32Å; L250-M252 PolarHBondContact O-N 2.8Å; L250-K253 WeakPolarHBondContact O-CB 3.4Å; L250-K253 PolarHBondContact O-N 3.29Å; L250-K253 VanDerWaalsContact O-N 3.17Å; L250-L254 HydrophobicContact CD1-CD1 4.27Å; L250-L254 HydrophobicContact CD1-CG 4.22Å; L250-L254 HydrophobicContact CG-CD1 4.2Å; L250-L254 WeakPolarHBondContact O-CG 3.41Å; L250-L254 PolarHBondContact O-N 2.79Å |
| 251 | Q | 92.7 | Very high | 94.5 | Very high | 69 Ų | 69 | 31 Ų | 31 | 32% | 0.322 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -59.5 | -45 | -179.3 | -178.3 | 179.8 | -5.7 | 0 | 0 | 111.2 | G249 K253 L254 L255 | G249-Q251 PolarHBondContact O-N 2.89Å; Q251-K253 VanDerWaalsContact C-N 3.34Å; Q251-K253 PolarHBondContact O-N 3.48Å; Q251-L254 PolarHBondContact O-N 3.03Å; Q251-L255 HydrophobicContact CG-CD1 4.27Å; Q251-L255 WeakPolarHBondContact O-CG 3.35Å; Q251-L255 PolarHBondContact O-N 3.48Å |
| 252 | M | 93.3 | Very high | 94.2 | Very high | 33 Ų | 33 | 31.7 Ų | 31.7 | 16% | 0.163 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.7 | -39.5 | 177.3 | -169 | 62.3 | 171.7 | 0 | 0 | 111.6 | I180 A181 I233 V248 G249 L250 L254 L255 V256 | I180-M252 HydrophobicContact CB-CE 4.22Å; I180-M252 HydrophobicContact CD1-CE 4.02Å; I180-M252 HydrophobicContact CD1-SD 3.44Å; I180-M252 WeakPolarHBondContact CD1-SD 3.23Å; I180-M252 HydrophobicContact CG1-CE 3.95Å; I180-M252 HydrophobicContact CG1-SD 4.06Å; A181-M252 HydrophobicContact CB-CE 3.24Å; I233-M252 HydrophobicContact CD1-CE 3.27Å; I233-M252 HydrophobicContact CD1-CG 4.3Å; V248-M252 HydrophobicContact CG1-CB 3.63Å; V248-M252 HydrophobicContact CG1-CG 3.63Å; G249-M252 PolarHBondContact O-N 3.41Å; L250-M252 VanDerWaalsContact C-N 3.32Å; L250-M252 PolarHBondContact O-N 2.8Å; M252-L254 PolarHBondContact O-N 2.93Å; M252-L255 PolarHBondContact O-N 3.26Å; M252-V256 HydrophobicContact CE-CG2 4.08Å; M252-V256 HydrophobicContact CG-CG2 4.34Å; M252-V256 WeakPolarHBondContact O-CB 3.41Å; M252-V256 VanDerWaalsContact O-CG2 3.26Å; M252-V256 WeakPolarHBondContact O-CG2 3.4Å; M252-V256 PolarHBondContact O-N 3.39Å; M252-V256 HydrophobicContact SD-CG2 4.32Å |
| 253 | K | 95.5 | Very high | 93.7 | Very high | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.009 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -56.8 | -50.1 | 172.1 | -72.4 | 179.5 | 173.1 | 171.2 | 0 | 111 | I84 A85 A87 Y244 V248 G249 L250 Q251 L255 V256 L257 | I84-K253 HydrophobicContact CG2-CD 4.42Å; I84-K253 WeakPolarHBondContact O-CD 3.28Å; I84-K253 PolarHBondContact O-NZ 3.16Å; A85-K253 PolarHBondContact O-NZ 2.76Å; A87-K253 PolarHBondContact O-NZ 2.76Å; Y244-K253 HydrophobicContact CD1-CB 4.43Å; Y244-K253 HydrophobicContact CD1-CG 3.75Å; Y244-K253 HydrophobicContact CD2-CD 4.29Å; Y244-K253 HydrophobicContact CD2-CG 4.15Å; Y244-K253 HydrophobicContact CE1-CB 3.95Å; Y244-K253 HydrophobicContact CE1-CG 3.79Å; Y244-K253 HydrophobicContact CE2-CB 4.29Å; Y244-K253 HydrophobicContact CE2-CG 4.16Å; Y244-K253 HydrophobicContact CG-CD 4.31Å; Y244-K253 HydrophobicContact CG-CG 3.91Å; Y244-K253 PolarHBondContact OH-O 2.93Å; V248-K253 HydrophobicContact CB-CG 4.26Å; V248-K253 HydrophobicContact CG1-CG 3.75Å; V248-K253 WeakPolarHBondContact O-CE 3.48Å; G249-K253 WeakPolarHBondContact O-CG 3.47Å; G249-K253 PolarHBondContact O-N 3.23Å; L250-K253 WeakPolarHBondContact O-CB 3.4Å; L250-K253 PolarHBondContact O-N 3.29Å; L250-K253 VanDerWaalsContact O-N 3.17Å; Q251-K253 VanDerWaalsContact C-N 3.34Å; Q251-K253 PolarHBondContact O-N 3.48Å; K253-L255 PolarHBondContact O-N 3.41Å; K253-V256 PolarHBondContact O-N 3.17Å; K253-L257 VanDerWaalsContact O-CB 3.25Å; K253-L257 WeakPolarHBondContact O-CB 3.34Å; K253-L257 PolarHBondContact O-N 3.32Å |
| 254 | L | 95.3 | Very high | 93.2 | Very high | 14 Ų | 14 | 28.9 Ų | 28.9 | 7% | 0.073 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.7 | -41.7 | -178.6 | -66.7 | 175.2 | 0 | 0 | 0 | 112.7 | L81 L110 V132 L250 Q251 M252 L257 M258 | L81-L254 HydrophobicContact CD2-CD1 4.48Å; L110-L254 HydrophobicContact CD1-CD2 4.4Å; V132-L254 HydrophobicContact CG1-CD1 3.94Å; V132-L254 HydrophobicContact CG1-CD2 4.37Å; L250-L254 HydrophobicContact CD1-CD1 4.27Å; L250-L254 HydrophobicContact CD1-CG 4.22Å; L250-L254 HydrophobicContact CG-CD1 4.2Å; L250-L254 WeakPolarHBondContact O-CG 3.41Å; L250-L254 PolarHBondContact O-N 2.79Å; Q251-L254 PolarHBondContact O-N 3.03Å; M252-L254 PolarHBondContact O-N 2.93Å; L254-L257 PolarHBondContact O-N 3.01Å; L254-M258 PolarHBondContact O-N 2.84Å; L254-M258 VanDerWaalsContact O-N 3.09Å |
| 255 | L | 94.2 | Very high | 92.6 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.6 | -50.1 | 175.9 | -72.7 | 171.9 | 0 | 0 | 0 | 111.6 | V153 L161 F164 V172 I180 Q251 M252 K253 L257 M258 A259 | V153-L255 HydrophobicContact CB-CD2 3.92Å; V153-L255 HydrophobicContact CG1-CD2 3.74Å; V153-L255 HydrophobicContact CG2-CD2 3.99Å; L161-L255 HydrophobicContact CB-CD2 4.49Å; F164-L255 HydrophobicContact CE1-CB 4.32Å; F164-L255 HydrophobicContact CE1-CD2 4.21Å; F164-L255 WeakPolarHBondContact CE1-O 3.48Å; F164-L255 HydrophobicContact CZ-CD2 4.19Å; F164-L255 VanDerWaalsContact CZ-O 3.28Å; F164-L255 WeakPolarHBondContact CZ-O 3.27Å; V172-L255 HydrophobicContact CG1-CB 4.09Å; V172-L255 HydrophobicContact CG1-CD1 4.35Å; I180-L255 HydrophobicContact CD1-CD1 3.91Å; Q251-L255 HydrophobicContact CG-CD1 4.27Å; Q251-L255 WeakPolarHBondContact O-CG 3.35Å; Q251-L255 PolarHBondContact O-N 3.48Å; M252-L255 PolarHBondContact O-N 3.26Å; K253-L255 PolarHBondContact O-N 3.41Å; L255-L257 VanDerWaalsContact C-N 3.34Å; L255-L257 PolarHBondContact O-N 2.86Å; L255-M258 PolarHBondContact O-N 3.23Å; L255-A259 PolarHBondContact O-N 3.16Å |
| 256 | V | 94.2 | Very high | 91.8 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.006 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.3 | -37.6 | 179.7 | 172.7 | 0 | 0 | 0 | 0 | 111.7 | C224 I233 A234 Y244 M252 K253 M258 A259 F260 | C224-V256 HydrophobicContact CB-CG1 3.88Å; I233-V256 HydrophobicContact CD1-CG2 4.11Å; A234-V256 HydrophobicContact CB-CG1 3.68Å; Y244-V256 HydrophobicContact CE1-CB 4.1Å; Y244-V256 HydrophobicContact CE1-CG1 4.03Å; M252-V256 HydrophobicContact CE-CG2 4.08Å; M252-V256 HydrophobicContact CG-CG2 4.34Å; M252-V256 WeakPolarHBondContact O-CB 3.41Å; M252-V256 VanDerWaalsContact O-CG2 3.26Å; M252-V256 WeakPolarHBondContact O-CG2 3.4Å; M252-V256 PolarHBondContact O-N 3.39Å; M252-V256 HydrophobicContact SD-CG2 4.32Å; K253-V256 PolarHBondContact O-N 3.17Å; V256-M258 VanDerWaalsContact C-N 3.33Å; V256-M258 PolarHBondContact O-N 3.38Å; V256-A259 PolarHBondContact O-N 3.13Å; V256-F260 HydrophobicContact CG1-CD2 4.48Å; V256-F260 HydrophobicContact CG1-CE1 4.31Å; V256-F260 HydrophobicContact CG1-CE2 4.22Å; V256-F260 HydrophobicContact CG1-CZ 4.15Å; V256-F260 PolarHBondContact O-N 3.13Å |
| 257 | L | 95.5 | Very high | 90.5 | Very high | 7 Ų | 7 | 30 Ų | 30 | 4% | 0.037 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -56.5 | -49.5 | 173.5 | 172.4 | 62.8 | 0 | 0 | 0 | 110.4 | I92 V101 L110 I112 L242 Y244 K253 L254 L255 F260 V261 | I92-L257 HydrophobicContact CD1-CD1 3.86Å; I92-L257 HydrophobicContact CG1-CD1 4.33Å; V101-L257 HydrophobicContact CG2-CD1 3.92Å; V101-L257 HydrophobicContact CG2-CD2 4.1Å; L110-L257 HydrophobicContact CD1-CD2 3.72Å; I112-L257 HydrophobicContact CD1-CD2 4.3Å; I112-L257 HydrophobicContact CD1-CG 4.39Å; L242-L257 HydrophobicContact CD2-CD1 3.71Å; Y244-L257 WeakPolarHBondContact OH-CB 3.17Å; Y244-L257 PolarHBondContact OH-N 3.13Å; K253-L257 VanDerWaalsContact O-CB 3.25Å; K253-L257 WeakPolarHBondContact O-CB 3.34Å; K253-L257 PolarHBondContact O-N 3.32Å; L254-L257 PolarHBondContact O-N 3.01Å; L255-L257 VanDerWaalsContact C-N 3.34Å; L255-L257 PolarHBondContact O-N 2.86Å; L257-F260 PolarHBondContact O-N 2.72Å; L257-V261 HydrophobicContact CD1-CG2 4.11Å; L257-V261 HydrophobicContact CG-CG2 4.49Å; L257-V261 WeakPolarHBondContact O-CB 3.44Å; L257-V261 VanDerWaalsContact O-CG2 3.3Å; L257-V261 WeakPolarHBondContact O-CG2 3.37Å; L257-V261 PolarHBondContact O-N 3.49Å |
| 258 | M | 94.2 | Very high | 89 | Confident | 2 Ų | 2 | 25.6 Ų | 25.6 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -67 | -37.4 | 179.8 | -77.8 | -50.3 | -65.8 | 0 | 0 | 113.1 | I112 W123 V125 L133 V135 F164 L254 L255 V256 F260 V261 R262 | I112-M258 HydrophobicContact CD1-SD 4.36Å; I112-M258 HydrophobicContact CG2-CE 4.34Å; I112-M258 HydrophobicContact CG2-SD 4.16Å; W123-M258 HydrophobicContact CB-CE 3.72Å; W123-M258 HydrophobicContact CG-CE 4.12Å; V125-M258 HydrophobicContact CG2-CE 4.29Å; V125-M258 HydrophobicContact CG2-CG 4.03Å; V125-M258 HydrophobicContact CG2-SD 3.25Å; V125-M258 WeakPolarHBondContact CG2-SD 3.37Å; L133-M258 HydrophobicContact CD2-CB 4.37Å; L133-M258 HydrophobicContact CD2-CG 3.35Å; L133-M258 HydrophobicContact CD2-SD 4.5Å; V135-M258 HydrophobicContact CB-CE 4.01Å; V135-M258 HydrophobicContact CG2-CB 4.23Å; V135-M258 HydrophobicContact CG2-CE 3.55Å; V135-M258 HydrophobicContact CG2-CG 3.84Å; V135-M258 HydrophobicContact CG2-SD 4.4Å; F164-M258 HydrophobicContact CE2-CB 4.07Å; F164-M258 HydrophobicContact CZ-CB 3.88Å; L254-M258 PolarHBondContact O-N 2.84Å; L254-M258 VanDerWaalsContact O-N 3.09Å; L255-M258 PolarHBondContact O-N 3.23Å; V256-M258 VanDerWaalsContact C-N 3.33Å; V256-M258 PolarHBondContact O-N 3.38Å; M258-F260 PolarHBondContact O-N 2.84Å; M258-V261 PolarHBondContact O-N 2.76Å; M258-R262 VanDerWaalsContact O-CB 3.29Å; M258-R262 WeakPolarHBondContact O-CB 3.48Å; M258-R262 PolarHBondContact O-N 2.91Å |
| 259 | A | 92.8 | Very high | 87.1 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -58.2 | -47.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | F164 Y170 V172 V183 L255 V256 R262 L263 | F164-A259 HydrophobicContact CD1-CB 4.3Å; F164-A259 HydrophobicContact CE1-CB 4.04Å; F164-A259 HydrophobicContact CZ-CB 4.42Å; Y170-A259 HydrophobicContact CD1-CB 3.98Å; Y170-A259 HydrophobicContact CE1-CB 3.6Å; V172-A259 HydrophobicContact CG2-CB 4.2Å; V183-A259 HydrophobicContact CG2-CB 4.16Å; L255-A259 PolarHBondContact O-N 3.16Å; V256-A259 PolarHBondContact O-N 3.13Å; A259-R262 PolarHBondContact O-N 2.79Å; A259-L263 WeakPolarHBondContact O-CG 3.29Å; A259-L263 PolarHBondContact O-N 3.42Å |
| 260 | F | 93 | Very high | 84.9 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.4 | -47.3 | 176.5 | -75 | -1.8 | 0 | 0 | 0 | 112.5 | V183 L222 C224 A234 L236 L242 V256 L257 M258 R262 L263 I264 | V183-F260 HydrophobicContact CB-CE1 4.34Å; V183-F260 HydrophobicContact CG1-CD1 3.99Å; V183-F260 HydrophobicContact CG1-CE1 3.6Å; V183-F260 HydrophobicContact CG2-CD1 4.09Å; V183-F260 HydrophobicContact CG2-CE1 3.84Å; L222-F260 HydrophobicContact CB-CD1 4.15Å; L222-F260 HydrophobicContact CB-CE1 3.87Å; L222-F260 HydrophobicContact CB-CZ 4.15Å; L222-F260 HydrophobicContact CD1-CB 4.4Å; L222-F260 HydrophobicContact CD1-CD1 3.99Å; L222-F260 HydrophobicContact CD1-CG 4.26Å; C224-F260 HydrophobicContact CB-CE1 3.84Å; C224-F260 HydrophobicContact CB-CZ 3.72Å; A234-F260 HydrophobicContact CB-CE2 4.13Å; A234-F260 HydrophobicContact CB-CZ 4.21Å; L236-F260 HydrophobicContact CB-CD2 3.78Å; L236-F260 HydrophobicContact CB-CE2 3.78Å; L236-F260 HydrophobicContact CD2-CB 4.5Å; L236-F260 HydrophobicContact CD2-CD2 4.44Å; L242-F260 HydrophobicContact CD1-CD2 3.52Å; L242-F260 HydrophobicContact CD1-CE2 3.42Å; L242-F260 VanDerWaalsContact CD1-CE2 3.42Å; V256-F260 HydrophobicContact CG1-CD2 4.48Å; V256-F260 HydrophobicContact CG1-CE1 4.31Å; V256-F260 HydrophobicContact CG1-CE2 4.22Å; V256-F260 HydrophobicContact CG1-CZ 4.15Å; V256-F260 PolarHBondContact O-N 3.13Å; L257-F260 PolarHBondContact O-N 2.72Å; M258-F260 PolarHBondContact O-N 2.84Å; F260-R262 VanDerWaalsContact C-N 3.25Å; F260-R262 PolarHBondContact O-N 3Å; F260-L263 PolarHBondContact O-N 2.86Å; F260-I264 VanDerWaalsContact O-CD1 3.29Å; F260-I264 WeakPolarHBondContact O-CD1 3.13Å; F260-I264 WeakPolarHBondContact O-CG1 3.23Å; F260-I264 PolarHBondContact O-N 2.93Å |
| 261 | V | 92.2 | Very high | 82.3 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57 | -42.4 | 177.4 | 165 | 0 | 0 | 0 | 0 | 111.1 | I92 I99 I112 W123 L257 M258 T265 | I92-V261 HydrophobicContact CD1-CG2 4.44Å; I99-V261 HydrophobicContact CD1-CG1 3.64Å; I99-V261 HydrophobicContact CG2-CG2 4.33Å; I112-V261 HydrophobicContact CD1-CG2 3.79Å; I112-V261 HydrophobicContact CG2-CG1 4.16Å; W123-V261 HydrophobicContact CZ3-CG1 4.33Å; L257-V261 HydrophobicContact CD1-CG2 4.11Å; L257-V261 HydrophobicContact CG-CG2 4.49Å; L257-V261 WeakPolarHBondContact O-CB 3.44Å; L257-V261 VanDerWaalsContact O-CG2 3.3Å; L257-V261 WeakPolarHBondContact O-CG2 3.37Å; L257-V261 PolarHBondContact O-N 3.49Å; M258-V261 PolarHBondContact O-N 2.76Å; V261-T265 WeakPolarHBondContact O-CB 3.2Å; V261-T265 VanDerWaalsContact O-CG2 3.23Å; V261-T265 WeakPolarHBondContact O-CG2 3.18Å; V261-T265 PolarHBondContact O-N 3.4Å; V261-T265 VanDerWaalsContact O-N 3.07Å; V261-T265 PolarHBondContact O-OG1 2.88Å |
| 262 | R | 88.8 | Confident | 80.3 | Confident | 32 Ų | 32 | 34.8 Ų | 34.8 | 12% | 0.121 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.8 | -39.4 | 178.9 | -175.8 | 55.2 | -178 | 65.9 | 9.7 | 112.6 | D137 I151 M258 A259 F260 T265 E266 | D137-R262 IonicContact OD1-CZ 3.94Å; D137-R262 IonicContact OD1-NE 3.46Å; D137-R262 IonicContact OD1-NH2 3.31Å; D137-R262 PolarHBondContact OD1-NH2 3.39Å; D137-R262 IonicContact OD2-CZ 3.95Å; D137-R262 IonicContact OD2-NE 2.69Å; D137-R262 PolarHBondContact OD2-NE 2.84Å; D137-R262 IonicContact OD2-NH2 3.2Å; D137-R262 PolarHBondContact OD2-NH2 3.39Å; I151-R262 HydrophobicContact CD1-CG 4.02Å; M258-R262 VanDerWaalsContact O-CB 3.29Å; M258-R262 WeakPolarHBondContact O-CB 3.48Å; M258-R262 PolarHBondContact O-N 2.91Å; A259-R262 PolarHBondContact O-N 2.79Å; F260-R262 VanDerWaalsContact C-N 3.25Å; F260-R262 PolarHBondContact O-N 3Å; R262-T265 WeakPolarHBondContact CA-OG1 3.24Å; R262-T265 PolarHBondContact O-OG1 3.27Å; R262-E266 IonicContact CZ-OE2 2.79Å; R262-E266 IonicContact NH1-OE2 2.75Å; R262-E266 PolarHBondContact NH1-OE2 3.37Å; R262-E266 WeakPolarHBondContact O-CB 3.08Å; R262-E266 PolarHBondContact O-N 2.82Å; R262-E266 VanDerWaalsContact O-N 3.1Å |
| 263 | L | 87.6 | Confident | 78.3 | Confident | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.3 | -45.9 | 176.8 | -73.3 | 167.7 | 0 | 0 | 0 | 112.3 | Y170 V183 R185 L222 A259 F260 T265 E266 E267 | Y170-L263 HydrophobicContact CD2-CD2 3.79Å; Y170-L263 HydrophobicContact CD2-CG 4.19Å; Y170-L263 HydrophobicContact CE2-CD2 4.4Å; Y170-L263 HydrophobicContact CG-CD1 4.25Å; Y170-L263 HydrophobicContact CG-CD2 4.21Å; Y170-L263 HydrophobicContact CG-CG 4.36Å; V183-L263 HydrophobicContact CB-CD1 3.91Å; V183-L263 HydrophobicContact CG1-CD1 3.48Å; V183-L263 VanDerWaalsContact CG1-CD1 3.48Å; V183-L263 HydrophobicContact CG2-CD1 4.27Å; R185-L263 VanDerWaalsContact NH2-CD2 3.32Å; L222-L263 HydrophobicContact CD1-CB 4.02Å; L222-L263 HydrophobicContact CD1-CD1 4.19Å; L222-L263 HydrophobicContact CD2-CD1 4.48Å; A259-L263 WeakPolarHBondContact O-CG 3.29Å; A259-L263 PolarHBondContact O-N 3.42Å; F260-L263 PolarHBondContact O-N 2.86Å; L263-T265 VanDerWaalsContact C-N 3.29Å; L263-T265 PolarHBondContact O-N 2.86Å; L263-E266 WeakPolarHBondContact O-CB 3.3Å; L263-E266 PolarHBondContact O-N 3.14Å; L263-E267 PolarHBondContact O-N 3.18Å |
| 264 | I | 86.8 | Confident | 76.1 | Confident | 23 Ų | 23 | 40.7 Ų | 40.7 | 12% | 0.118 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.4 | -41.3 | 178.3 | -62.2 | 156.6 | 0 | 0 | 0 | 111.1 | I92 I220 L222 L236 F260 S268 | I92-I264 HydrophobicContact CD1-CD1 4.44Å; I220-I264 HydrophobicContact CD1-CG2 4.02Å; I220-I264 HydrophobicContact CG2-CG1 4.05Å; L222-I264 HydrophobicContact CD1-CG1 4.38Å; L236-I264 HydrophobicContact CD2-CD1 3.33Å; L236-I264 HydrophobicContact CD2-CG1 3.89Å; F260-I264 VanDerWaalsContact O-CD1 3.29Å; F260-I264 WeakPolarHBondContact O-CD1 3.13Å; F260-I264 WeakPolarHBondContact O-CG1 3.23Å; F260-I264 PolarHBondContact O-N 2.93Å; I264-S268 PolarHBondContact O-N 2.86Å; I264-S268 PolarHBondContact O-OG 2.81Å; I264-S268 VanDerWaalsContact O-OG 3.14Å |
| 265 | T | 83.6 | Confident | 74 | Confident | 19 Ų | 19 | 44.4 Ų | 44.4 | 12% | 0.117 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -75.1 | -27.6 | -178 | 53 | 0 | 0 | 0 | 0 | 112.5 | I99 W123 V261 R262 L263 S268 S269 | I99-T265 HydrophobicContact CD1-CG2 3.38Å; W123-T265 HydrophobicContact CH2-CG2 3.65Å; W123-T265 WeakPolarHBondContact CH2-OG1 3.36Å; W123-T265 HydrophobicContact CZ3-CG2 4.22Å; V261-T265 WeakPolarHBondContact O-CB 3.2Å; V261-T265 VanDerWaalsContact O-CG2 3.23Å; V261-T265 WeakPolarHBondContact O-CG2 3.18Å; V261-T265 PolarHBondContact O-N 3.4Å; V261-T265 VanDerWaalsContact O-N 3.07Å; V261-T265 PolarHBondContact O-OG1 2.88Å; R262-T265 WeakPolarHBondContact CA-OG1 3.24Å; R262-T265 PolarHBondContact O-OG1 3.27Å; L263-T265 VanDerWaalsContact C-N 3.29Å; L263-T265 PolarHBondContact O-N 2.86Å; T265-S268 PolarHBondContact O-N 3.49Å; T265-S269 VanDerWaalsContact O-CB 3.27Å; T265-S269 WeakPolarHBondContact O-CB 3.33Å; T265-S269 PolarHBondContact O-N 3.41Å; T265-S269 PolarHBondContact O-OG 3.33Å |
| 266 | E | 78.4 | Confident | 72.4 | Confident | 79 Ų | 79 | 45.8 Ų | 45.8 | 37% | 0.369 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.7 | -48 | 173.8 | -163.9 | 169.6 | 148.2 | 0 | 0 | 111.9 | R262 L263 S268 S269 | R262-E266 IonicContact CZ-OE2 2.79Å; R262-E266 IonicContact NH1-OE2 2.75Å; R262-E266 PolarHBondContact NH1-OE2 3.37Å; R262-E266 WeakPolarHBondContact O-CB 3.08Å; R262-E266 PolarHBondContact O-N 2.82Å; R262-E266 VanDerWaalsContact O-N 3.1Å; L263-E266 WeakPolarHBondContact O-CB 3.3Å; L263-E266 PolarHBondContact O-N 3.14Å; E266-S268 PolarHBondContact O-N 3.34Å; E266-S269 PolarHBondContact O-N 2.95Å |
| 267 | E | 66.8 | Low | 70.8 | Confident | 64 Ų | 64 | 48.9 Ų | 48.9 | 30% | 0.299 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60 | -32.1 | 179.2 | -67.2 | -177 | 179.7 | 0 | 0 | 111.7 | R185 L263 | R185-E267 IonicContact CZ-OE1 2.82Å; R185-E267 IonicContact NH1-OE1 3.85Å; R185-E267 PolarHBondContact NH1-OE1 3.48Å; L263-E267 PolarHBondContact O-N 3.18Å |
| 268 | S | 61.2 | Low | 69.4 | Low | 89 Ų | 89 | 53.7 Ų | 53.7 | 62% | 0.622 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -80.5 | -19.5 | 178.5 | -56.9 | 0 | 0 | 0 | 0 | 114 | I264 T265 E266 | I264-S268 PolarHBondContact O-N 2.86Å; I264-S268 PolarHBondContact O-OG 2.81Å; I264-S268 VanDerWaalsContact O-OG 3.14Å; T265-S268 PolarHBondContact O-N 3.49Å; E266-S268 PolarHBondContact O-N 3.34Å |
| 269 | S | 54.9 | Low | 67.9 | Low | 29 Ų | 29 | 61.4 Ų | 61.4 | 20% | 0.203 | 35% | 0.347 | C | S | . | . | trans | -95.6 | -1 | -163.7 | -68.4 | 0 | 0 | 0 | 0 | 115.9 | T265 E266 L271 S272 | T265-S269 VanDerWaalsContact O-CB 3.27Å; T265-S269 WeakPolarHBondContact O-CB 3.33Å; T265-S269 PolarHBondContact O-N 3.41Å; T265-S269 PolarHBondContact O-OG 3.33Å; E266-S269 PolarHBondContact O-N 2.95Å; S269-L271 PolarHBondContact O-N 3.16Å; S269-S272 PolarHBondContact O-N 2.99Å | ||
| 270 | T | 47.6 | Very low | 66.7 | Low | 117 Ų | 117 | 62.5 Ų | 62.5 | 72% | 0.718 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -16.4 | -175.3 | 56.8 | 0 | 0 | 0 | 0 | 114.6 | ||
| 271 | L | 39.2 | Very low | 65.3 | Low | 159 Ų | 159 | 68.1 Ų | 68.1 | 83% | 0.832 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105 | -8.4 | -178.3 | -68.5 | 166.2 | 0 | 0 | 0 | 115.3 | S269 | S269-L271 PolarHBondContact O-N 3.16Š|
| 272 | S | 51.6 | Low | 64.2 | Low | 58 Ų | 58 | 72.5 Ų | 72.5 | 41% | 0.406 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | -14.6 | -170 | 167.9 | 0 | 0 | 0 | 0 | 115.1 | S269 S274 C275 S276 | S269-S272 PolarHBondContact O-N 2.99Å; S272-S274 VanDerWaalsContact C-N 3.3Å; S272-S274 PolarHBondContact O-N 3.44Å; S272-C275 PolarHBondContact O-N 3.27Å; S272-S276 PolarHBondContact O-N 3.12Å; S272-S276 PolarHBondContact O-OG 3.3Å |
| 273 | V | 50.2 | Low | 63.2 | Low | 73 Ų | 73 | 72.9 Ų | 72.9 | 44% | 0.442 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -60.7 | -38.2 | -172.7 | -177.9 | 0 | 0 | 0 | 0 | 112 | C275 S276 M277 | V273-C275 PolarHBondContact O-N 2.9Å; V273-S276 PolarHBondContact O-N 3.17Å; V273-M277 HydrophobicContact CG1-CG 4.07Å; V273-M277 HydrophobicContact CG1-SD 4.49Å; V273-M277 WeakPolarHBondContact O-CG 3.41Å; V273-M277 PolarHBondContact O-N 2.6Å |
| 274 | S | 50.8 | Low | 62.3 | Low | 86 Ų | 86 | 75 Ų | 75 | 60% | 0.601 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -62.2 | -37.7 | -177.4 | 57 | 0 | 0 | 0 | 0 | 114 | S272 | S272-S274 VanDerWaalsContact C-N 3.3Å; S272-S274 PolarHBondContact O-N 3.44Å |
| 275 | C | 50.5 | Low | 61.4 | Low | 92 Ų | 92 | 77.8 Ų | 77.8 | 62% | 0.622 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -78.3 | -31.1 | 176.9 | -80.2 | 0 | 0 | 0 | 0 | 112.8 | S272 V273 | S272-C275 PolarHBondContact O-N 3.27Å; V273-C275 PolarHBondContact O-N 2.9Å |
| 276 | S | 59.8 | Low | 60.4 | Low | 30 Ų | 30 | 84 Ų | 84 | 21% | 0.21 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -71.8 | -34.8 | 179.1 | -61.3 | 0 | 0 | 0 | 0 | 111.6 | S272 V273 I278 K279 V280 | S272-S276 PolarHBondContact O-N 3.12Å; S272-S276 PolarHBondContact O-OG 3.3Å; V273-S276 PolarHBondContact O-N 3.17Å; S276-I278 PolarHBondContact O-N 2.95Å; S276-K279 PolarHBondContact O-N 2.79Å; S276-K279 VanDerWaalsContact O-N 3.14Å; S276-V280 WeakPolarHBondContact O-CG2 3.22Å; S276-V280 PolarHBondContact O-N 3.43Å |
| 277 | M | 61.5 | Low | 59.6 | Low | 66 Ų | 66 | 91.3 Ų | 91.3 | 33% | 0.325 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -54.6 | -48.7 | 175.3 | -65.6 | -104.5 | -86.5 | 0 | 0 | 111.5 | V141 V273 K279 V280 F281 | V141-M277 HydrophobicContact CB-SD 4.05Å; V141-M277 HydrophobicContact CG1-CE 4.06Å; V141-M277 HydrophobicContact CG1-SD 3.38Å; V141-M277 WeakPolarHBondContact CG1-SD 3.48Å; V141-M277 HydrophobicContact CG2-CE 4.5Å; V141-M277 HydrophobicContact CG2-SD 3.53Å; V141-M277 VanDerWaalsContact CG2-SD 3.53Å; V273-M277 HydrophobicContact CG1-CG 4.07Å; V273-M277 HydrophobicContact CG1-SD 4.49Å; V273-M277 WeakPolarHBondContact O-CG 3.41Å; V273-M277 PolarHBondContact O-N 2.6Å; M277-K279 VanDerWaalsContact C-N 3.3Å; M277-K279 PolarHBondContact O-N 3.45Å; M277-V280 PolarHBondContact O-N 2.86Å; M277-V280 VanDerWaalsContact O-N 3.14Å; M277-F281 HydrophobicContact CB-CD2 4.24Å; M277-F281 HydrophobicContact CB-CE2 4.25Å; M277-F281 WeakPolarHBondContact O-CD2 3.37Å; M277-F281 PolarHBondContact O-N 3.08Å; M277-F281 HydrophobicContact SD-CE2 4.39Å |
| 278 | I | 65.7 | Low | 59 | Low | 108 Ų | 108 | 91.4 Ų | 91.4 | 55% | 0.554 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -58.8 | -41.3 | 179.2 | -75.9 | 166.5 | 0 | 0 | 0 | 111.6 | S276 F281 L282 | S276-I278 PolarHBondContact O-N 2.95Å; I278-F281 PolarHBondContact O-N 2.85Å; I278-L282 HydrophobicContact CG2-CD1 3.77Å; I278-L282 HydrophobicContact CG2-CG 4.3Å; I278-L282 WeakPolarHBondContact O-CB 3.3Å; I278-L282 WeakPolarHBondContact O-CG 3.4Å; I278-L282 PolarHBondContact O-N 3.35Å |
| 279 | K | 63.6 | Low | 58 | Low | 163 Ų | 163 | 100.4 Ų | 100.4 | 71% | 0.709 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.8 | -39.6 | 177.6 | -74.4 | -176.5 | 178.7 | 175.3 | 0 | 112.3 | S276 M277 G283 | S276-K279 PolarHBondContact O-N 2.79Å; S276-K279 VanDerWaalsContact O-N 3.14Å; M277-K279 VanDerWaalsContact C-N 3.3Å; M277-K279 PolarHBondContact O-N 3.45Å; K279-G283 PolarHBondContact O-N 3.43Å |
| 280 | V | 66.1 | Low | 58.1 | Low | 23 Ų | 23 | 104 Ų | 104 | 14% | 0.139 | 56% | 0.557 | C | S | . | * | H | α-helix | trans | -66.6 | -49 | 176.3 | 176.6 | 0 | 0 | 0 | 0 | 110.1 | S276 M277 L282 G283 C284 | S276-V280 WeakPolarHBondContact O-CG2 3.22Å; S276-V280 PolarHBondContact O-N 3.43Å; M277-V280 PolarHBondContact O-N 2.86Å; M277-V280 VanDerWaalsContact O-N 3.14Å; V280-L282 VanDerWaalsContact C-N 3.33Å; V280-L282 PolarHBondContact O-N 3.28Å; V280-G283 PolarHBondContact O-N 2.92Å; V280-G283 VanDerWaalsContact O-N 3.16Å; V280-C284 WeakPolarHBondContact O-CB 3.47Å; V280-C284 PolarHBondContact O-N 3.29Å; V280-C284 PolarHBondContact O-SG 3.33Å |
| 281 | F | 65.2 | Low | 58.7 | Low | 118 Ų | 118 | 103.3 Ų | 103.3 | 52% | 0.518 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -56.2 | -46.3 | 175.8 | -81.8 | -69.6 | 0 | 0 | 0 | 111.8 | M277 I278 C285 | M277-F281 HydrophobicContact CB-CD2 4.24Å; M277-F281 HydrophobicContact CB-CE2 4.25Å; M277-F281 WeakPolarHBondContact O-CD2 3.37Å; M277-F281 PolarHBondContact O-N 3.08Å; M277-F281 HydrophobicContact SD-CE2 4.39Å; I278-F281 PolarHBondContact O-N 2.85Å; F281-C285 WeakPolarHBondContact O-CB 3.42Å; F281-C285 PolarHBondContact O-N 2.76Å; F281-C285 PolarHBondContact O-SG 2.79Å |
| 282 | L | 69.1 | Low | 59.8 | Low | 92 Ų | 92 | 100.2 Ų | 100.2 | 48% | 0.482 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.1 | -42.7 | 176.9 | -67.7 | 173.8 | 0 | 0 | 0 | 111.8 | I278 V280 F286 | I278-L282 HydrophobicContact CG2-CD1 3.77Å; I278-L282 HydrophobicContact CG2-CG 4.3Å; I278-L282 WeakPolarHBondContact O-CB 3.3Å; I278-L282 WeakPolarHBondContact O-CG 3.4Å; I278-L282 PolarHBondContact O-N 3.35Å; V280-L282 VanDerWaalsContact C-N 3.33Å; V280-L282 PolarHBondContact O-N 3.28Å; L282-F286 HydrophobicContact CB-CD2 4.37Å; L282-F286 HydrophobicContact CD2-CD2 3.93Å; L282-F286 HydrophobicContact CD2-CE2 3.48Å; L282-F286 VanDerWaalsContact CD2-CE2 3.48Å; L282-F286 VanDerWaalsContact O-CB 3.27Å; L282-F286 WeakPolarHBondContact O-CB 3.24Å; L282-F286 VanDerWaalsContact O-CD2 3.27Å; L282-F286 WeakPolarHBondContact O-CD2 3.35Å; L282-F286 PolarHBondContact O-N 2.87Å; L282-F286 VanDerWaalsContact O-N 3.1Å |
| 283 | G | 67.1 | Low | 60.3 | Low | 41 Ų | 41 | 102.6 Ų | 102.6 | 42% | 0.423 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.8 | -42.1 | 180 | 0 | 0 | 0 | 0 | 0 | 113.4 | K279 V280 R287 | K279-G283 PolarHBondContact O-N 3.43Å; V280-G283 PolarHBondContact O-N 2.92Å; V280-G283 VanDerWaalsContact O-N 3.16Å; G283-R287 VanDerWaalsContact O-CB 3.29Å; G283-R287 WeakPolarHBondContact O-CB 3.47Å; G283-R287 PolarHBondContact O-N 3.12Å |
| 284 | C | 67.8 | Low | 60.9 | Low | 45 Ų | 45 | 104.5 Ų | 104.5 | 30% | 0.304 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -80.5 | -38.2 | -176.5 | -53.9 | 0 | 0 | 0 | 0 | 112.2 | C118 V280 | C118-C284 WeakPolarHBondContact CA-SG 3.31Å; C118-C284 HydrophobicContact CB-CB 4.13Å; C118-C284 WeakPolarHBondContact CB-SG 3.08Å; C118-C284 VanDerWaalsContact SG-CA 3.55Å; C118-C284 WeakPolarHBondContact SG-CB 3.4Å; C118-C284 CovalentContact SG-SG 2.03Å; C118-C284 PolarHBondContact SG-SG 3.06Å; V280-C284 WeakPolarHBondContact O-CB 3.47Å; V280-C284 PolarHBondContact O-N 3.29Å; V280-C284 PolarHBondContact O-SG 3.33Å |
| 285 | C | 68.4 | Low | 61.6 | Low | 82 Ų | 82 | 105.7 Ų | 105.7 | 55% | 0.554 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -76.6 | -31 | 179.5 | -63.3 | 0 | 0 | 0 | 0 | 113.2 | F281 | F281-C285 WeakPolarHBondContact O-CB 3.42Å; F281-C285 PolarHBondContact O-N 2.76Å; F281-C285 PolarHBondContact O-SG 2.79Å |
| 286 | F | 62.4 | Low | 62.4 | Low | 150 Ų | 150 | 106.7 Ų | 106.7 | 66% | 0.658 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -90.8 | -12.8 | -177.9 | -76.6 | -84.7 | 0 | 0 | 0 | 114.9 | L282 G288 | L282-F286 HydrophobicContact CB-CD2 4.37Å; L282-F286 HydrophobicContact CD2-CD2 3.93Å; L282-F286 HydrophobicContact CD2-CE2 3.48Å; L282-F286 VanDerWaalsContact CD2-CE2 3.48Å; L282-F286 VanDerWaalsContact O-CB 3.27Å; L282-F286 WeakPolarHBondContact O-CB 3.24Å; L282-F286 VanDerWaalsContact O-CD2 3.27Å; L282-F286 WeakPolarHBondContact O-CD2 3.35Å; L282-F286 PolarHBondContact O-N 2.87Å; L282-F286 VanDerWaalsContact O-N 3.1Å; F286-G288 VanDerWaalsContact C-N 3.29Å |
| 287 | R | 61.8 | Low | 62.6 | Low | 233 Ų | 233 | 112.6 Ų | 112.6 | 88% | 0.879 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | 0.3 | 178.2 | -158.9 | 167.4 | 175.7 | 160.4 | -3 | 113.6 | G283 | G283-R287 VanDerWaalsContact O-CB 3.29Å; G283-R287 WeakPolarHBondContact O-CB 3.47Å; G283-R287 PolarHBondContact O-N 3.12Å |
| 288 | G | 54.9 | Low | 62.7 | Low | 66 Ų | 66 | 116.5 Ų | 116.5 | 68% | 0.68 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.8 | 14.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | F286 | F286-G288 VanDerWaalsContact C-N 3.29Š|
| 289 | Y | 39.8 | Very low | 62.4 | Low | 277 Ų | 277 | 117.3 Ų | 117.3 | 100% | 1.086 | 59% | 0.585 | S | S | * | * | trans | -124.3 | 0 | 175.5 | -83.7 | -78.1 | 0 | 0 | 0 | 112.2 |
Retrieved 289 of 289 residues in 70.6 ms
(Link to these results)