| 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 | 30.6 | Very low | 251 Ų | 251 | 136.5 Ų | 136.5 | 100% | 1.236 | 85% | 0.847 | S | S | * | * | 0 | 122.7 | 0 | -78.3 | -176.2 | 164.9 | 0 | 0 | 108.4 | |||||
| 2 | G | 32.4 | Very low | 30.2 | Very low | 75 Ų | 75 | 131 Ų | 131 | 77% | 0.773 | 84% | 0.837 | S | S | * | * | trans | 61 | 112.5 | 162.9 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 3 | S | 28.7 | Very low | 30.1 | Very low | 120 Ų | 120 | 135.5 Ų | 135.5 | 84% | 0.839 | 84% | 0.84 | S | S | * | * | 54.8 | 134.4 | 76.7 | -81 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 4 | V | 31.3 | Very low | 29.8 | Very low | 114 Ų | 114 | 138.1 Ų | 138.1 | 69% | 0.691 | 84% | 0.838 | S | S | * | * | cis | -176.9 | 148.9 | 13.9 | 119.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 5 | L | 31.3 | Very low | 29.6 | Very low | 164 Ų | 164 | 138.6 Ų | 138.6 | 86% | 0.859 | 83% | 0.833 | S | S | * | * | trans | 55 | 150.7 | 152.6 | -65.8 | 168.3 | 0 | 0 | 0 | 120.8 | ||||
| 6 | A | 29.6 | Very low | 29.3 | Very low | 93 Ų | 93 | 143.3 Ų | 143.3 | 77% | 0.769 | 83% | 0.832 | S | S | * | * | cis | -154.8 | 157.4 | 14.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 7 | L | 26.6 | Very low | 29.1 | Very low | 181 Ų | 181 | 141.2 Ų | 141.2 | 95% | 0.948 | 83% | 0.825 | S | S | * | * | trans | -111.2 | 130.4 | 173 | -91.5 | 153 | 0 | 0 | 0 | 110.3 | ||||
| 8 | S | 27 | Very low | 28.9 | Very low | 116 Ų | 116 | 143.8 Ų | 143.8 | 81% | 0.811 | 82% | 0.824 | S | S | * | * | trans | -140.8 | 132.9 | 161.9 | 104.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 9 | S | 28.5 | Very low | 28.8 | Very low | 111 Ų | 111 | 142.1 Ų | 142.1 | 78% | 0.776 | 82% | 0.822 | S | S | * | * | trans | -176 | 122.4 | 143.8 | 52.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 10 | N | 31 | Very low | 28.9 | Very low | 156 Ų | 156 | 143.5 Ų | 143.5 | 83% | 0.834 | 82% | 0.818 | S | S | * | * | trans | -64.3 | 157.6 | 162.4 | -139.2 | 11.9 | 0 | 0 | 0 | 109.7 | ||||
| 11 | P | 35.5 | Very low | 28.7 | Very low | 121 Ų | 121 | 144 Ų | 144 | 79% | 0.786 | 82% | 0.818 | S | S | * | * | -156.9 | 168.2 | 86.6 | 38.1 | -17.9 | 0 | 0 | 0 | 116.8 | |||||
| 12 | G | 24.8 | Very low | 28.3 | Very low | 70 Ų | 70 | 139.2 Ų | 139.2 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | trans | 113.2 | 114.5 | 144.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 13 | H | 29.4 | Very low | 28 | Very low | 190 Ų | 190 | 143 Ų | 143 | 88% | 0.88 | 79% | 0.794 | S | S | * | * | trans | -52.8 | 139.3 | 177.3 | -81.4 | -100.1 | 0 | 0 | 0 | 116.7 | ||||
| 14 | Q | 26 | Very low | 27.8 | Very low | 172 Ų | 172 | 142.8 Ų | 142.8 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | -139.6 | 123.5 | 153.6 | -136.9 | 173.1 | 29.1 | 0 | 0 | 109.3 | ||||
| 15 | N | 26.5 | Very low | 27.4 | Very low | 145 Ų | 145 | 140.2 Ų | 140.2 | 78% | 0.775 | 78% | 0.777 | S | S | * | * | trans | -73.5 | 122.7 | -176.9 | -78.2 | -23.1 | 0 | 0 | 0 | 111.6 | ||||
| 16 | W | 25.5 | Very low | 27.3 | Very low | 213 Ų | 213 | 142.9 Ų | 142.9 | 81% | 0.807 | 78% | 0.776 | S | S | * | * | trans | -113 | 147.7 | 162.9 | -85.4 | 168.8 | 0 | 0 | 0 | 112.2 | F18 | W16-F18 PolarHBondContact O-N 3.04Š| ||
| 17 | P | 25.1 | Very low | 27.2 | Very low | 109 Ų | 109 | 149.7 Ų | 149.7 | 71% | 0.708 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -80.5 | 12.6 | -163.7 | 33.6 | -34.7 | 0 | 0 | 0 | 114.6 | ||
| 18 | F | 26.4 | Very low | 27.1 | Very low | 187 Ų | 187 | 147.1 Ų | 147.1 | 82% | 0.82 | 77% | 0.769 | S | S | * | * | trans | -125.3 | 81.9 | 177.3 | -65.4 | -74.8 | 0 | 0 | 0 | 109.8 | W16 K20 | W16-F18 PolarHBondContact O-N 3.04Å; F18-K20 PolarHBondContact O-N 3.16Å | ||
| 19 | S | 26.3 | Very low | 27.1 | Very low | 111 Ų | 111 | 145 Ų | 145 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | trans | -67.6 | 121.7 | 166.7 | -177.1 | 0 | 0 | 0 | 0 | 109.4 | N21 | S19-N21 PolarHBondContact O-N 3.41Å; S19-N21 VanDerWaalsContact O-N 3.16Å | ||
| 20 | K | 30.6 | Very low | 26.8 | Very low | 171 Ų | 171 | 147.9 Ų | 147.9 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | trans | -72.6 | 98.4 | 171.9 | -79 | -178.5 | 174.3 | 177 | 0 | 109.8 | F18 | F18-K20 PolarHBondContact O-N 3.16Š| ||
| 21 | N | 25.5 | Very low | 26.5 | Very low | 154 Ų | 154 | 145.3 Ų | 145.3 | 82% | 0.824 | 75% | 0.751 | S | S | * | * | trans | -111.9 | 76.1 | 144.6 | -83.2 | -14.7 | 0 | 0 | 0 | 107.4 | S19 L23 | S19-N21 PolarHBondContact O-N 3.41Å; S19-N21 VanDerWaalsContact O-N 3.16Å; N21-L23 PolarHBondContact O-N 3.12Å; N21-L23 VanDerWaalsContact O-N 3.12Å | ||
| 22 | H | 25.8 | Very low | 26.1 | Very low | 150 Ų | 150 | 142.8 Ų | 142.8 | 69% | 0.694 | 74% | 0.74 | S | S | * | * | trans | -74.1 | 98.1 | 167.2 | -83.8 | -72.7 | 0 | 0 | 0 | 108.4 | ||||
| 23 | L | 26.6 | Very low | 26.3 | Very low | 155 Ų | 155 | 145.5 Ų | 145.5 | 81% | 0.812 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 130.9 | 142.3 | -75.5 | 147.2 | 0 | 0 | 0 | 106.3 | N21 S25 | N21-L23 PolarHBondContact O-N 3.12Å; N21-L23 VanDerWaalsContact O-N 3.12Å; L23-S25 PolarHBondContact O-N 3.04Å |
| 24 | P | 24.9 | Very low | 26.5 | Very low | 116 Ų | 116 | 146.6 Ų | 146.6 | 75% | 0.753 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 119.3 | -176.6 | 21.9 | -29.9 | 0 | 0 | 0 | 109.4 | R26 | P24-R26 PolarHBondContact O-N 3.07Š|
| 25 | S | 23.3 | Very low | 26.6 | Very low | 60 Ų | 60 | 142.2 Ų | 142.2 | 42% | 0.42 | 71% | 0.713 | S | S | . | * | P | Polyproline II helix | trans | -61.2 | 130.4 | 172.5 | 43 | 0 | 0 | 0 | 0 | 109.2 | L23 W27 D28 | L23-S25 PolarHBondContact O-N 3.04Å; S25-W27 PolarHBondContact O-N 3.46Å; S25-D28 PolarHBondContact O-N 3.25Å |
| 26 | R | 29 | Very low | 26.6 | Very low | 219 Ų | 219 | 142 Ų | 142 | 83% | 0.826 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -56.6 | 3.8 | 179.3 | -166.4 | 175.1 | 176.7 | -178.5 | 0.3 | 115.2 | P24 A29 | P24-R26 PolarHBondContact O-N 3.07Å; R26-A29 WeakPolarHBondContact O-CB 3.48Å |
| 27 | W | 28 | Very low | 26.8 | Very low | 237 Ų | 237 | 133.6 Ų | 133.6 | 90% | 0.898 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -84.2 | -12.6 | 176.6 | -60.7 | 110.1 | 0 | 0 | 0 | 113.7 | S25 A29 | S25-W27 PolarHBondContact O-N 3.46Å; W27-A29 PolarHBondContact O-N 3.47Å |
| 28 | D | 23.8 | Very low | 27.4 | Very low | 127 Ų | 127 | 133.6 Ų | 133.6 | 68% | 0.679 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -85.6 | 8.2 | 169.4 | -65.2 | -39.1 | 0 | 0 | 0 | 112.9 | S25 H30 | S25-D28 PolarHBondContact O-N 3.25Å; D28-H30 PolarHBondContact O-N 2.76Å; D28-H30 VanDerWaalsContact O-N 3.07Å |
| 29 | A | 25.8 | Very low | 27.9 | Very low | 72 Ų | 72 | 131.3 Ų | 131.3 | 60% | 0.595 | 66% | 0.659 | S | S | * | * | trans | -75 | 99.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | R26 W27 | R26-A29 WeakPolarHBondContact O-CB 3.48Å; W27-A29 PolarHBondContact O-N 3.47Å | ||
| 30 | H | 23.4 | Very low | 28.8 | Very low | 171 Ų | 171 | 129.9 Ų | 129.9 | 79% | 0.792 | 64% | 0.637 | S | S | * | * | trans | -32.9 | 132.8 | 163.4 | -65.5 | -72.5 | 0 | 0 | 0 | 111.3 | D28 A32 | D28-H30 PolarHBondContact O-N 2.76Å; D28-H30 VanDerWaalsContact O-N 3.07Å; H30-A32 PolarHBondContact O-N 2.85Å; H30-A32 VanDerWaalsContact O-N 3.1Å | ||
| 31 | P | 23.8 | Very low | 29 | Very low | 102 Ų | 102 | 127.4 Ų | 127.4 | 66% | 0.662 | 63% | 0.628 | S | S | * | * | trans | -57.1 | 124.9 | 176.4 | 23 | -30.4 | 0 | 0 | 0 | 107.9 | H33 | P31-H33 PolarHBondContact O-N 3.23Š| ||
| 32 | A | 28.7 | Very low | 29.8 | Very low | 67 Ų | 67 | 128.4 Ų | 128.4 | 55% | 0.554 | 62% | 0.62 | S | S | * | * | trans | -44.9 | 104.9 | -172.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | H30 W34 | H30-A32 PolarHBondContact O-N 2.85Å; H30-A32 VanDerWaalsContact O-N 3.1Å; A32-W34 HydrophobicContact CB-CE3 4.05Å; A32-W34 HydrophobicContact CB-CH2 4.04Å; A32-W34 HydrophobicContact CB-CZ3 3.46Å; A32-W34 VanDerWaalsContact CB-CZ3 3.46Å; A32-W34 PolarHBondContact O-N 3.11Å | ||
| 33 | H | 27.2 | Very low | 30.6 | Very low | 127 Ų | 127 | 131.1 Ų | 131.1 | 59% | 0.588 | 63% | 0.625 | S | S | * | * | trans | -63.7 | 120.4 | 174.5 | -169.1 | -87.7 | 0 | 0 | 0 | 106.7 | P31 D35 | P31-H33 PolarHBondContact O-N 3.23Å; H33-D35 IonicContact CE1-OD1 2.78Å; H33-D35 PolarHBondContact CE1-OD1 3.45Å; H33-D35 IonicContact CE1-OD2 3.31Å; H33-D35 PolarHBondContact CE1-OD2 2.62Å; H33-D35 IonicContact CG-OD2 3.42Å; H33-D35 WeakPolarHBondContact ND1-CB 3.49Å; H33-D35 IonicContact ND1-OD1 2.82Å; H33-D35 PolarHBondContact ND1-OD1 3.03Å; H33-D35 IonicContact ND1-OD2 3.43Å; H33-D35 PolarHBondContact ND1-OD2 3.1Å; H33-D35 PolarHBondContact O-N 3.36Å | ||
| 34 | W | 34.8 | Very low | 31.5 | Very low | 214 Ų | 214 | 130.5 Ų | 130.5 | 81% | 0.811 | 62% | 0.622 | S | S | * | * | trans | -70.5 | 49.1 | 174.7 | -70.1 | 168 | 0 | 0 | 0 | 112.4 | A32 R36 | A32-W34 HydrophobicContact CB-CE3 4.05Å; A32-W34 HydrophobicContact CB-CH2 4.04Å; A32-W34 HydrophobicContact CB-CZ3 3.46Å; A32-W34 VanDerWaalsContact CB-CZ3 3.46Å; A32-W34 PolarHBondContact O-N 3.11Å; W34-R36 PolarHBondContact O-N 3.45Å | ||
| 35 | D | 28.6 | Very low | 32.9 | Very low | 80 Ų | 80 | 128.4 Ų | 128.4 | 43% | 0.428 | 62% | 0.622 | S | S | . | * | trans | -70.5 | 85.8 | 167.3 | -95 | -23.1 | 0 | 0 | 0 | 109.6 | H33 | H33-D35 IonicContact CE1-OD1 2.78Å; H33-D35 PolarHBondContact CE1-OD1 3.45Å; H33-D35 IonicContact CE1-OD2 3.31Å; H33-D35 PolarHBondContact CE1-OD2 2.62Å; H33-D35 IonicContact CG-OD2 3.42Å; H33-D35 WeakPolarHBondContact ND1-CB 3.49Å; H33-D35 IonicContact ND1-OD1 2.82Å; H33-D35 PolarHBondContact ND1-OD1 3.03Å; H33-D35 IonicContact ND1-OD2 3.43Å; H33-D35 PolarHBondContact ND1-OD2 3.1Å; H33-D35 PolarHBondContact O-N 3.36Å | ||
| 36 | R | 26.2 | Very low | 34.9 | Very low | 140 Ų | 140 | 134.6 Ų | 134.6 | 53% | 0.528 | 64% | 0.636 | S | S | . | * | 139.8 | 137.6 | 129 | -71 | 145 | -176.2 | -174.1 | 4.7 | 109.6 | W34 R39 | W34-R36 PolarHBondContact O-N 3.45Å; R36-R39 HydrophobicContact CB-CG 4.47Å; R36-R39 VanDerWaalsContact CZ-CZ 3.5Å | |||
| 37 | P | 29.5 | Very low | 37.3 | Very low | 36 Ų | 36 | 127.1 Ų | 127.1 | 23% | 0.234 | 61% | 0.612 | C | S | . | * | S | Bend | trans | -54.2 | 159.5 | 160.8 | 26.4 | -32.3 | 0 | 0 | 0 | 109.1 | R39 P227 | P37-R39 PolarHBondContact O-N 2.88Å; P37-P227 WeakPolarHBondContact CG-O 3.32Å |
| 38 | P | 38 | Very low | 39.7 | Very low | 109 Ų | 109 | 117.5 Ų | 117.5 | 71% | 0.708 | 58% | 0.58 | S | S | * | * | trans | -46 | 110.8 | -176.8 | -18.2 | 21.7 | 0 | 0 | 0 | 109.8 | W40 | P38-W40 PolarHBondContact O-N 2.75Š| ||
| 39 | R | 37.1 | Very low | 42.6 | Very low | 139 Ų | 139 | 114 Ų | 114 | 53% | 0.525 | 56% | 0.562 | S | S | . | * | trans | -70 | 102.1 | 176.7 | -96.8 | -178.3 | 165.5 | -162.2 | 0.4 | 106.4 | R36 P37 E41 | R36-R39 HydrophobicContact CB-CG 4.47Å; R36-R39 VanDerWaalsContact CZ-CZ 3.5Å; P37-R39 PolarHBondContact O-N 2.88Å; R39-E41 HydrophobicContact CB-CG 4.22Å; R39-E41 VanDerWaalsContact CD-OE1 3.27Å; R39-E41 WeakPolarHBondContact CD-OE1 3.26Å; R39-E41 HydrophobicContact CG-CG 4.47Å; R39-E41 IonicContact CZ-OE1 3.09Å; R39-E41 IonicContact NE-OE1 3.86Å; R39-E41 PolarHBondContact NE-OE1 3.09Å; R39-E41 IonicContact NH1-OE1 3.18Å; R39-E41 PolarHBondContact NH1-OE1 3.25Å; R39-E41 IonicContact NH1-OE2 3.94Å; R39-E41 IonicContact NH2-OE1 3.99Å; R39-E41 PolarHBondContact O-N 3.04Å | ||
| 40 | W | 43.4 | Very low | 45.3 | Very low | 82 Ų | 82 | 111.3 Ų | 111.3 | 31% | 0.311 | 54% | 0.538 | S | S | . | . | trans | -71.7 | 70.1 | 161.8 | 91.9 | -88.7 | 0 | 0 | 0 | 106.8 | P38 R42 P48 S197 | P38-W40 PolarHBondContact O-N 2.75Å; W40-R42 HydrophobicContact CE3-CG 4.49Å; W40-R42 HydrophobicContact CH2-CG 3.86Å; W40-R42 HydrophobicContact CZ3-CG 3.48Å; W40-R42 VanDerWaalsContact CZ3-CG 3.48Å; W40-P48 HydrophobicContact CB-CG 4.11Å; W40-P48 HydrophobicContact CE3-CG 4.07Å; W40-S197 VanDerWaalsContact CZ2-CB 3.47Å | ||
| 41 | E | 36.6 | Very low | 48.3 | Very low | 119 Ų | 119 | 104.2 Ų | 104.2 | 56% | 0.556 | 51% | 0.511 | S | S | * | . | trans | -83 | 125.2 | 174.3 | -88.9 | 176.2 | -179.2 | 0 | 0 | 108.6 | R39 R43 | R39-E41 HydrophobicContact CB-CG 4.22Å; R39-E41 VanDerWaalsContact CD-OE1 3.27Å; R39-E41 WeakPolarHBondContact CD-OE1 3.26Å; R39-E41 HydrophobicContact CG-CG 4.47Å; R39-E41 IonicContact CZ-OE1 3.09Å; R39-E41 IonicContact NE-OE1 3.86Å; R39-E41 PolarHBondContact NE-OE1 3.09Å; R39-E41 IonicContact NH1-OE1 3.18Å; R39-E41 PolarHBondContact NH1-OE1 3.25Å; R39-E41 IonicContact NH1-OE2 3.94Å; R39-E41 IonicContact NH2-OE1 3.99Å; R39-E41 PolarHBondContact O-N 3.04Å; E41-R43 PolarHBondContact O-N 3.25Å | ||
| 42 | R | 42 | Very low | 51.2 | Low | 174 Ų | 174 | 100.5 Ų | 100.5 | 66% | 0.657 | 49% | 0.488 | S | S | * | . | trans | -59.8 | 102.4 | 167.3 | -69.7 | -175.7 | -174.5 | 172.6 | 2.1 | 107.9 | W40 | W40-R42 HydrophobicContact CE3-CG 4.49Å; W40-R42 HydrophobicContact CH2-CG 3.86Å; W40-R42 HydrophobicContact CZ3-CG 3.48Å; W40-R42 VanDerWaalsContact CZ3-CG 3.48Å | ||
| 43 | R | 41.4 | Very low | 53.9 | Low | 207 Ų | 207 | 98.2 Ų | 98.2 | 78% | 0.781 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -82.9 | 113.7 | 148.1 | -89.9 | -173.6 | -178.6 | -168.8 | -0.5 | 107 | E41 G45 R46 | E41-R43 PolarHBondContact O-N 3.25Å; R43-G45 PolarHBondContact O-N 3.18Å; R43-R46 PolarHBondContact O-N 3.5Å |
| 44 | D | 46.9 | Very low | 56.5 | Low | 142 Ų | 142 | 97.8 Ų | 97.8 | 76% | 0.759 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.8 | 39.6 | 158.7 | -43.9 | -38.3 | 0 | 0 | 0 | 116.1 | R46 | D44-R46 PolarHBondContact O-N 3.09Š|
| 45 | G | 54 | Low | 58.9 | Low | 73 Ų | 73 | 89.1 Ų | 89.1 | 75% | 0.753 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.3 | 3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | R43 | R43-G45 PolarHBondContact O-N 3.18Š|
| 46 | R | 64.1 | Low | 61.7 | Low | 190 Ų | 190 | 85.4 Ų | 85.4 | 72% | 0.717 | 42% | 0.415 | S | S | * | . | P | Polyproline II helix | trans | -86.6 | 140.6 | 175.6 | -67.1 | 179.2 | 176.2 | 169.8 | -0.6 | 110.2 | R43 D44 | R43-R46 PolarHBondContact O-N 3.5Å; D44-R46 PolarHBondContact O-N 3.09Å |
| 47 | L | 79.3 | Confident | 64.8 | Low | 61 Ų | 61 | 79.3 Ų | 79.3 | 32% | 0.319 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 139.4 | 173.3 | -66.5 | 173.1 | 0 | 0 | 0 | 109.1 | D168 S194 | L47-D168 HydrophobicContact CB-CB 4.27Å; L47-S194 VanDerWaalsContact CD1-O 3.23Å; L47-S194 WeakPolarHBondContact CD1-O 3.35Å |
| 48 | P | 80.3 | Confident | 67.7 | Low | 35 Ų | 35 | 85.1 Ų | 85.1 | 23% | 0.227 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -71.6 | 152.4 | 179.2 | 32.4 | -36.9 | 0 | 0 | 0 | 110.6 | W40 S167 S194 | W40-P48 HydrophobicContact CB-CG 4.11Å; W40-P48 HydrophobicContact CE3-CG 4.07Å; P48-S167 CarbonylContact C-O 3.56Å; P48-S194 WeakPolarHBondContact O-CB 3.44Å |
| 49 | N | 83.5 | Confident | 70.1 | Confident | 54 Ų | 54 | 81.3 Ų | 81.3 | 29% | 0.289 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 131.7 | 171.4 | -178.2 | -53.3 | 0 | 0 | 0 | 109.3 | G51 G166 S167 T170 | N49-G51 PolarHBondContact O-N 3.01Å; N49-G51 PolarHBondContact OD1-N 2.81Å; N49-G166 PolarHBondContact ND2-O 2.95Å; N49-S167 WeakPolarHBondContact CA-O 3.43Å; N49-S167 PolarHBondContact N-O 2.8Å; N49-S167 VanDerWaalsContact N-O 3.14Å; N49-T170 PolarHBondContact ND2-OG1 2.82Å; N49-T170 PolarHBondContact OD1-OG1 2.82Å |
| 50 | P | 82.9 | Confident | 72.7 | Confident | 16 Ų | 16 | 74.8 Ų | 74.8 | 10% | 0.104 | 36% | 0.362 | C | S | . | . | trans | -68.5 | -12.7 | -177.2 | 26.9 | -35.4 | 0 | 0 | 0 | 115.3 | L192 V200 | P50-L192 HydrophobicContact CB-CB 4.32Å; P50-L192 HydrophobicContact CG-CB 3.95Å; P50-V200 HydrophobicContact CB-CB 4.19Å; P50-V200 HydrophobicContact CB-CG1 3.4Å; P50-V200 VanDerWaalsContact CB-CG1 3.4Å; P50-V200 HydrophobicContact CB-CG2 3.67Å; P50-V200 HydrophobicContact CG-CG1 4.33Å | ||
| 51 | G | 85.9 | Confident | 75 | Confident | 21 Ų | 21 | 76 Ų | 76 | 22% | 0.216 | 37% | 0.369 | C | S | . | . | trans | 85.4 | -162.9 | -170.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | N49 T170 | N49-G51 PolarHBondContact O-N 3.01Å; N49-G51 PolarHBondContact OD1-N 2.81Å; G51-T170 VanDerWaalsContact O-CB 3.26Å; G51-T170 WeakPolarHBondContact O-CB 3.43Å; G51-T170 WeakPolarHBondContact O-CG2 3.17Å; G51-T170 PolarHBondContact O-OG1 3.09Å; G51-T170 VanDerWaalsContact O-OG1 3.07Å | ||
| 52 | S | 85.6 | Confident | 77.5 | Confident | 25 Ų | 25 | 74 Ų | 74 | 18% | 0.175 | 36% | 0.362 | C | S | . | . | trans | -91.6 | 153.1 | -179.3 | 69 | 0 | 0 | 0 | 0 | 111.8 | H54 S55 E163 | S52-H54 VanDerWaalsContact C-N 3.27Å; S52-H54 PolarHBondContact O-N 3.19Å; S52-S55 PolarHBondContact N-OG 3.08Å; S52-S55 WeakPolarHBondContact O-CB 3.4Å; S52-S55 PolarHBondContact O-N 3.02Å; S52-S55 PolarHBondContact O-OG 3.08Å; S52-E163 WeakPolarHBondContact CB-OE1 3.44Å | ||
| 53 | F | 85.6 | Confident | 80 | Confident | 19 Ų | 19 | 65.8 Ų | 65.8 | 8% | 0.083 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -58.9 | -37.9 | 179.5 | -169.5 | -90.4 | 0 | 0 | 0 | 113 | S55 L56 H190 L192 E204 A221 | F53-S55 PolarHBondContact O-N 2.77Å; F53-L56 HydrophobicContact CD2-CD1 3.88Å; F53-L56 HydrophobicContact CE2-CD1 4Å; F53-L56 HydrophobicContact CG-CD1 4.26Å; F53-L56 HydrophobicContact CZ-CD1 4.46Å; F53-L56 WeakPolarHBondContact O-CG 3.49Å; F53-L56 PolarHBondContact O-N 2.83Å; F53-H190 HydrophobicContact CB-CB 3.93Å; F53-H190 AromaticContact CD1-CE1 3.66Å; F53-H190 AromaticContact CD1-ND1 3.29Å; F53-H190 VanDerWaalsContact CD1-ND1 3.29Å; F53-H190 WeakPolarHBondContact CD1-ND1 3.32Å; F53-H190 HydrophobicContact CD2-CB 4.26Å; F53-H190 AromaticContact CD2-ND1 3.91Å; F53-H190 AromaticContact CE1-ND1 3.76Å; F53-H190 HydrophobicContact CG-CB 4.14Å; F53-H190 AromaticContact CG-CG 3.98Å; F53-H190 AromaticContact CG-ND1 3.37Å; F53-H190 WeakPolarHBondContact CG-ND1 3.27Å; F53-L192 HydrophobicContact CB-CD1 4Å; F53-L192 HydrophobicContact CD2-CD1 4Å; F53-L192 HydrophobicContact CD2-CD2 4.17Å; F53-L192 HydrophobicContact CD2-CG 4.03Å; F53-L192 HydrophobicContact CG-CD1 4.44Å; F53-E204 HydrophobicContact CE1-CB 3.92Å; F53-E204 HydrophobicContact CE1-CG 4.37Å; F53-E204 VanDerWaalsContact CE1-OE2 3.32Å; F53-E204 WeakPolarHBondContact CE1-OE2 3.5Å; F53-E204 HydrophobicContact CE2-CB 3.91Å; F53-E204 HydrophobicContact CZ-CB 3.51Å; F53-E204 HydrophobicContact CZ-CG 4.41Å; F53-A221 HydrophobicContact CD2-CB 4.42Å; F53-A221 HydrophobicContact CE2-CB 3.48Å; F53-A221 VanDerWaalsContact CE2-CB 3.48Å; F53-A221 HydrophobicContact CZ-CB 4.02Å |
| 54 | H | 81.2 | Confident | 82.5 | Confident | 118 Ų | 118 | 56.7 Ų | 56.7 | 55% | 0.546 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -63.1 | -23.8 | 175.5 | -66 | -66.3 | 0 | 0 | 0 | 113.7 | S52 | S52-H54 VanDerWaalsContact C-N 3.27Å; S52-H54 PolarHBondContact O-N 3.19Å |
| 55 | S | 84.7 | Confident | 84.7 | Confident | 32 Ų | 32 | 50.4 Ų | 50.4 | 22% | 0.224 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -82.3 | -11.3 | -177.5 | 74.4 | 0 | 0 | 0 | 0 | 114.3 | S52 F53 H57 R58 | S52-S55 PolarHBondContact N-OG 3.08Å; S52-S55 WeakPolarHBondContact O-CB 3.4Å; S52-S55 PolarHBondContact O-N 3.02Å; S52-S55 PolarHBondContact O-OG 3.08Å; F53-S55 PolarHBondContact O-N 2.77Å; S55-H57 PolarHBondContact O-N 3.25Å; S55-R58 WeakPolarHBondContact O-CB 3.26Å; S55-R58 PolarHBondContact O-N 3.13Å |
| 56 | L | 88.1 | Confident | 86.5 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -48.5 | -175.5 | -69.9 | 173.8 | 0 | 0 | 0 | 112.7 | F53 L192 A221 Q223 T232 | F53-L56 HydrophobicContact CD2-CD1 3.88Å; F53-L56 HydrophobicContact CE2-CD1 4Å; F53-L56 HydrophobicContact CG-CD1 4.26Å; F53-L56 HydrophobicContact CZ-CD1 4.46Å; F53-L56 WeakPolarHBondContact O-CG 3.49Å; F53-L56 PolarHBondContact O-N 2.83Å; L56-L192 HydrophobicContact CD1-CD1 4.24Å; L56-L192 HydrophobicContact CD1-CD2 4.17Å; L56-L192 HydrophobicContact CD2-CD1 4.2Å; L56-L192 HydrophobicContact CD2-CD2 4.42Å; L56-L192 HydrophobicContact CG-CD1 4.29Å; L56-A221 HydrophobicContact CD1-CB 3.87Å; L56-Q223 HydrophobicContact CD2-CB 3.82Å; L56-Q223 HydrophobicContact CD2-CG 4.49Å; L56-T232 HydrophobicContact CB-CG2 4.49Å; L56-T232 WeakPolarHBondContact O-CG2 3.32Å |
| 57 | H | 90.8 | Very high | 87.6 | Confident | 13 Ų | 13 | 49.3 Ų | 49.3 | 6% | 0.06 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -1.4 | -179.2 | -66.8 | -84.7 | 0 | 0 | 0 | 113.6 | S55 S59 C60 K61 T232 N234 H241 S243 | S55-H57 PolarHBondContact O-N 3.25Å; H57-S59 VanDerWaalsContact C-N 3.35Å; H57-S59 PolarHBondContact O-N 3.17Å; H57-C60 PolarHBondContact O-N 2.8Å; H57-C60 VanDerWaalsContact O-N 3.15Å; H57-K61 HydrophobicContact CB-CD 4.37Å; H57-K61 HydrophobicContact CB-CG 4.45Å; H57-K61 WeakPolarHBondContact O-CG 3.48Å; H57-K61 PolarHBondContact O-N 2.82Å; H57-T232 PolarHBondContact CE1-OG1 2.73Å; H57-T232 PolarHBondContact ND1-OG1 2.77Å; H57-N234 PolarHBondContact NE2-ND2 2.83Å; H57-H241 AromaticContact CD2-CE1 3.74Å; H57-H241 AromaticContact CD2-ND1 3.7Å; H57-H241 AromaticContact CE1-CD2 3.91Å; H57-H241 AromaticContact CE1-CE1 3.42Å; H57-H241 PolarHBondContact CE1-CE1 2.83Å; H57-H241 VanDerWaalsContact CE1-CE1 3.42Å; H57-H241 AromaticContact CE1-CG 3.68Å; H57-H241 AromaticContact CE1-ND1 3.36Å; H57-H241 PolarHBondContact CE1-ND1 3.07Å; H57-H241 AromaticContact CE1-NE2 3.69Å; H57-H241 PolarHBondContact CE1-O 2.83Å; H57-H241 AromaticContact CG-CE1 3.38Å; H57-H241 AromaticContact CG-ND1 3.81Å; H57-H241 AromaticContact ND1-CE1 3.18Å; H57-H241 PolarHBondContact ND1-CE1 3.15Å; H57-H241 AromaticContact ND1-ND1 3.63Å; H57-H241 AromaticContact ND1-NE2 3.44Å; H57-H241 PolarHBondContact ND1-NE2 2.95Å; H57-H241 AromaticContact NE2-CE1 3.77Å; H57-H241 AromaticContact NE2-ND1 3.42Å; H57-H241 PolarHBondContact NE2-ND1 2.93Å; H57-S243 WeakPolarHBondContact ND1-CB 3.37Å; H57-S243 PolarHBondContact ND1-OG 3.03Å |
| 58 | R | 90.1 | Very high | 88 | Confident | 157 Ų | 157 | 47.4 Ų | 47.4 | 59% | 0.592 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -59.8 | -43.9 | -171.5 | -174 | 176.1 | -171.9 | 169.4 | 6.9 | 112.1 | S55 C60 K61 D62 | S55-R58 WeakPolarHBondContact O-CB 3.26Å; S55-R58 PolarHBondContact O-N 3.13Å; R58-C60 VanDerWaalsContact C-N 3.25Å; R58-C60 PolarHBondContact O-N 2.89Å; R58-K61 PolarHBondContact O-N 2.79Å; R58-D62 WeakPolarHBondContact CG-OD2 3.45Å; R58-D62 IonicContact NE-OD2 3.33Å; R58-D62 VanDerWaalsContact O-CB 3.28Å; R58-D62 WeakPolarHBondContact O-CB 3.42Å; R58-D62 PolarHBondContact O-N 3.05Å |
| 59 | S | 88.3 | Confident | 88.5 | Confident | 30 Ų | 30 | 47.6 Ų | 47.6 | 21% | 0.21 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60 | -34.6 | 179.8 | -58.2 | 0 | 0 | 0 | 0 | 113.2 | H57 Y245 | H57-S59 VanDerWaalsContact C-N 3.35Å; H57-S59 PolarHBondContact O-N 3.17Å; S59-Y245 WeakPolarHBondContact O-CD2 3.32Å |
| 60 | C | 91.7 | Very high | 88.9 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.007 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -77.9 | -48 | 176 | -165 | 0 | 0 | 0 | 0 | 110.9 | H57 R58 D62 V63 F64 G255 V256 | H57-C60 PolarHBondContact O-N 2.8Å; H57-C60 VanDerWaalsContact O-N 3.15Å; R58-C60 VanDerWaalsContact C-N 3.25Å; R58-C60 PolarHBondContact O-N 2.89Å; C60-D62 VanDerWaalsContact C-N 3.28Å; C60-D62 PolarHBondContact O-N 2.79Å; C60-V63 WeakPolarHBondContact O-CB 3.33Å; C60-V63 PolarHBondContact O-N 2.79Å; C60-F64 VanDerWaalsContact O-CD2 3.25Å; C60-F64 WeakPolarHBondContact O-CD2 3.46Å; C60-G255 VanDerWaalsContact SG-CA 3.59Å; C60-V256 PolarHBondContact SG-N 2.81Å; C60-V256 PolarHBondContact SG-O 2.81Å |
| 61 | K | 91 | Very high | 89.4 | Confident | 107 Ų | 107 | 48.8 Ų | 48.8 | 47% | 0.465 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -58 | -39 | 179.8 | -72.9 | -172.6 | 175 | -169.8 | 0 | 113 | H57 R58 V63 F64 E257 | H57-K61 HydrophobicContact CB-CD 4.37Å; H57-K61 HydrophobicContact CB-CG 4.45Å; H57-K61 WeakPolarHBondContact O-CG 3.48Å; H57-K61 PolarHBondContact O-N 2.82Å; R58-K61 PolarHBondContact O-N 2.79Å; K61-V63 PolarHBondContact O-N 2.91Å; K61-V63 VanDerWaalsContact O-N 3.11Å; K61-F64 PolarHBondContact O-N 3.44Å; K61-F64 VanDerWaalsContact O-N 3.12Å; K61-E257 WeakPolarHBondContact CE-OE1 3.32Å |
| 62 | D | 90.9 | Very high | 89.8 | Confident | 78 Ų | 78 | 51.2 Ų | 51.2 | 42% | 0.417 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -10.2 | 178.8 | -74.1 | -8 | 0 | 0 | 0 | 113.3 | R58 C60 R285 | R58-D62 WeakPolarHBondContact CG-OD2 3.45Å; R58-D62 IonicContact NE-OD2 3.33Å; R58-D62 VanDerWaalsContact O-CB 3.28Å; R58-D62 WeakPolarHBondContact O-CB 3.42Å; R58-D62 PolarHBondContact O-N 3.05Å; C60-D62 VanDerWaalsContact C-N 3.28Å; C60-D62 PolarHBondContact O-N 2.79Å; D62-R285 PolarHBondContact O-NH1 2.93Å; D62-R285 PolarHBondContact O-NH2 2.91Å |
| 63 | V | 93.4 | Very high | 90.2 | Very high | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.006 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -32.6 | 173.7 | 178.6 | 0 | 0 | 0 | 0 | 111.4 | C60 K61 Y245 Q253 Q274 R285 | C60-V63 WeakPolarHBondContact O-CB 3.33Å; C60-V63 PolarHBondContact O-N 2.79Å; K61-V63 PolarHBondContact O-N 2.91Å; K61-V63 VanDerWaalsContact O-N 3.11Å; V63-Y245 HydrophobicContact CG2-CD2 3.67Å; V63-Y245 HydrophobicContact CG2-CE2 3.64Å; V63-Q253 HydrophobicContact CG2-CB 4.27Å; V63-Q274 HydrophobicContact CG1-CB 3.99Å; V63-R285 PolarHBondContact O-NH1 2.81Å |
| 64 | F | 94.2 | Very high | 90.6 | Very high | 17 Ų | 17 | 54.1 Ų | 54.1 | 8% | 0.075 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -69 | 148.8 | -175.2 | -71.8 | -91.4 | 0 | 0 | 0 | 112.2 | C60 K61 E257 M287 | C60-F64 VanDerWaalsContact O-CD2 3.25Å; C60-F64 WeakPolarHBondContact O-CD2 3.46Å; K61-F64 PolarHBondContact O-N 3.44Å; K61-F64 VanDerWaalsContact O-N 3.12Å; F64-E257 HydrophobicContact CE2-CB 4.18Å; F64-E257 HydrophobicContact CZ-CB 4Å; F64-M287 HydrophobicContact CD1-CB 3.91Å; F64-M287 HydrophobicContact CD1-CE 4.34Å; F64-M287 HydrophobicContact CD1-SD 4.43Å; F64-M287 HydrophobicContact CE1-CB 4.36Å |
| 65 | P | 93.9 | Very high | 91.2 | Very high | 9 Ų | 9 | 51.3 Ų | 51.3 | 6% | 0.058 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -72.5 | 138.4 | 173.6 | 29.5 | -32.1 | 0 | 0 | 0 | 110.9 | R285 M287 V297 F314 | P65-R285 HydrophobicContact CB-CB 3.74Å; P65-R285 HydrophobicContact CG-CB 4.49Å; P65-M287 HydrophobicContact CG-CB 3.89Å; P65-M287 HydrophobicContact CG-CG 3.54Å; P65-M287 HydrophobicContact CG-SD 3.78Å; P65-V297 HydrophobicContact CB-CB 3.95Å; P65-V297 HydrophobicContact CB-CG2 3.72Å; P65-F314 HydrophobicContact CB-CE1 4.49Å; P65-F314 HydrophobicContact CB-CZ 4Å; P65-F314 HydrophobicContact CG-CE1 4.03Å; P65-F314 HydrophobicContact CG-CZ 4.05Å |
| 66 | H | 90.7 | Very high | 91.6 | Very high | 126 Ų | 126 | 52.5 Ų | 52.5 | 58% | 0.583 | 26% | 0.258 | S | S | * | . | P | Polyproline II helix | trans | -77.4 | 128.9 | 171.6 | -66.2 | 86.1 | 0 | 0 | 0 | 109.4 | I68 V297 | H66-I68 PolarHBondContact O-N 2.9Å; H66-V297 VanDerWaalsContact O-CG2 3.22Å; H66-V297 WeakPolarHBondContact O-CG2 3.34Å |
| 67 | Q | 87.6 | Confident | 91.7 | Very high | 114 Ų | 114 | 58.8 Ų | 58.8 | 53% | 0.533 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 131.3 | 176.2 | -73 | 177.2 | -5.4 | 0 | 0 | 110.7 | F314 | Q67-F314 HydrophobicContact CB-CE2 4.18Å; Q67-F314 HydrophobicContact CB-CZ 4.24Å; Q67-F314 HydrophobicContact CG-CD1 3.82Å; Q67-F314 HydrophobicContact CG-CD2 4.08Å; Q67-F314 HydrophobicContact CG-CE1 3.56Å; Q67-F314 HydrophobicContact CG-CE2 3.87Å; Q67-F314 HydrophobicContact CG-CG 4.07Å; Q67-F314 HydrophobicContact CG-CZ 3.59Å |
| 68 | I | 87.8 | Confident | 91.6 | Very high | 22 Ų | 22 | 62.4 Ų | 62.4 | 11% | 0.113 | 31% | 0.308 | C | S | . | . | trans | -126.6 | 138.1 | 178.3 | -54.5 | 169.6 | 0 | 0 | 0 | 107.1 | H66 V297 I310 G325 | H66-I68 PolarHBondContact O-N 2.9Å; I68-V297 HydrophobicContact CD1-CG1 4.12Å; I68-V297 HydrophobicContact CD1-CG2 4.36Å; I68-I310 HydrophobicContact CD1-CB 4.3Å; I68-I310 HydrophobicContact CD1-CG2 3.24Å; I68-G325 PolarHBondContact O-N 3.47Å | ||
| 69 | E | 89.9 | Confident | 91.4 | Very high | 38 Ų | 38 | 59.9 Ų | 59.9 | 18% | 0.178 | 31% | 0.306 | C | S | . | . | trans | -132.9 | 141.7 | 178.9 | -168.3 | -171.6 | 124.6 | 0 | 0 | 110 | H90 S92 V94 Q323 | E69-H90 PolarHBondContact O-NE2 2.84Å; E69-S92 PolarHBondContact OE1-OG 2.77Å; E69-V94 VanDerWaalsContact OE1-CB 3.24Å; E69-V94 WeakPolarHBondContact OE1-CB 3.4Å; E69-V94 WeakPolarHBondContact OE1-CG2 3.34Å; E69-Q323 HydrophobicContact CB-CG 3.99Å; E69-Q323 HydrophobicContact CG-CG 3.77Å; E69-Q323 PolarHBondContact OE2-NE2 3Å | ||
| 70 | G | 92.2 | Very high | 91.3 | Very high | 22 Ų | 22 | 61 Ų | 61 | 23% | 0.227 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 67.3 | -141.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L91 V324 G325 L326 | G70-L91 CarbonylContact C-O 3.51Å; G70-L91 WeakPolarHBondContact CA-O 3.48Å; G70-V324 PolarHBondContact N-O 3.15Å; G70-G325 CarbonylContact O-C 3.46Å; G70-G325 VanDerWaalsContact O-CA 3.29Å; G70-G325 WeakPolarHBondContact O-CA 3.47Å; G70-L326 PolarHBondContact O-N 3.43Å |
| 71 | V | 94.6 | Very high | 90.8 | Very high | 74 Ų | 74 | 65.2 Ų | 65.2 | 45% | 0.448 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 118.4 | -178.5 | -176.2 | 0 | 0 | 0 | 0 | 110 | L91 L326 | V71-L91 HydrophobicContact CB-CB 4.32Å; V71-L91 PolarHBondContact N-O 2.84Å; V71-L91 PolarHBondContact O-N 2.9Å; V71-L326 CarbonylContact C-O 3.58Å; V71-L326 VanDerWaalsContact CA-O 3.23Å; V71-L326 WeakPolarHBondContact CA-O 3.14Å |
| 72 | K | 93.4 | Very high | 90.5 | Very high | 72 Ų | 72 | 64.2 Ų | 64.2 | 31% | 0.313 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 111.4 | 178.2 | -170 | -178.2 | -174.2 | -175.9 | 0 | 111.5 | I74 T88 L89 L326 G327 V328 | K72-I74 HydrophobicContact CD-CD1 4.18Å; K72-I74 HydrophobicContact CD-CG1 4.35Å; K72-I74 HydrophobicContact CG-CG1 4.17Å; K72-T88 HydrophobicContact CG-CG2 4.34Å; K72-L89 CarbonylContact C-O 3.58Å; K72-L89 WeakPolarHBondContact CA-O 3.28Å; K72-L326 PolarHBondContact N-O 3.43Å; K72-G327 CarbonylContact O-C 3.54Å; K72-G327 WeakPolarHBondContact O-CA 3.2Å; K72-V328 PolarHBondContact O-N 2.97Å |
| 73 | M | 94.8 | Very high | 90.4 | Very high | 77 Ų | 77 | 63.7 Ų | 63.7 | 38% | 0.379 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 125.3 | 172.4 | -172.8 | -176.5 | -170.3 | 0 | 0 | 109.7 | I75 T88 L89 V328 | M73-I75 HydrophobicContact CE-CD1 3.69Å; M73-I75 HydrophobicContact CE-CG1 3.84Å; M73-I75 HydrophobicContact CG-CG1 4.34Å; M73-I75 HydrophobicContact SD-CD1 4.2Å; M73-I75 HydrophobicContact SD-CG1 4.5Å; M73-T88 CarbonylContact O-C 3.55Å; M73-T88 WeakPolarHBondContact O-CA 3.21Å; M73-L89 HydrophobicContact CB-CB 4.24Å; M73-L89 PolarHBondContact N-O 2.65Å; M73-L89 PolarHBondContact O-N 3.33Å; M73-L89 HydrophobicContact SD-CD1 4.21Å; M73-V328 CarbonylContact C-O 3.53Å; M73-V328 WeakPolarHBondContact CA-O 3.46Å |
| 74 | I | 94.3 | Very high | 90.2 | Very high | 27 Ų | 27 | 68.2 Ų | 68.2 | 14% | 0.138 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 123 | 175.3 | -52.1 | 174.9 | 0 | 0 | 0 | 107.4 | K72 H87 T88 V328 N329 V330 | K72-I74 HydrophobicContact CD-CD1 4.18Å; K72-I74 HydrophobicContact CD-CG1 4.35Å; K72-I74 HydrophobicContact CG-CG1 4.17Å; I74-H87 CarbonylContact C-O 3.56Å; I74-H87 WeakPolarHBondContact CA-O 3.39Å; I74-T88 HydrophobicContact CG1-CG2 4.26Å; I74-V328 PolarHBondContact N-O 2.95Å; I74-N329 HydrophobicContact CB-CB 4.4Å; I74-N329 CarbonylContact O-C 3.53Å; I74-N329 VanDerWaalsContact O-CA 3.32Å; I74-N329 WeakPolarHBondContact O-CA 3.23Å; I74-N329 PolarHBondContact O-OD1 3.13Å; I74-V330 PolarHBondContact O-N 3.09Å |
| 75 | I | 93.7 | Very high | 90.2 | Very high | 60 Ų | 60 | 68 Ų | 68 | 31% | 0.308 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 109.8 | 173.8 | -59 | 160 | 0 | 0 | 0 | 107.5 | M73 S86 H87 V330 | M73-I75 HydrophobicContact CE-CD1 3.69Å; M73-I75 HydrophobicContact CE-CG1 3.84Å; M73-I75 HydrophobicContact CG-CG1 4.34Å; M73-I75 HydrophobicContact SD-CD1 4.2Å; M73-I75 HydrophobicContact SD-CG1 4.5Å; I75-S86 CarbonylContact O-C 3.53Å; I75-S86 WeakPolarHBondContact O-CA 3.32Å; I75-H87 HydrophobicContact CB-CB 4.28Å; I75-H87 PolarHBondContact N-O 2.72Å; I75-H87 PolarHBondContact O-N 2.85Å; I75-V330 CarbonylContact C-O 3.51Å; I75-V330 WeakPolarHBondContact CA-O 3.45Å |
| 76 | N | 92.4 | Very high | 90.2 | Very high | 56 Ų | 56 | 68.1 Ų | 68.1 | 30% | 0.299 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 123.3 | 176.5 | -66.1 | -50.2 | 0 | 0 | 0 | 109.4 | S86 N329 V330 G331 | N76-S86 WeakPolarHBondContact OD1-CB 3.27Å; N76-S86 PolarHBondContact OD1-OG 2.77Å; N76-N329 PolarHBondContact ND2-OD1 3.44Å; N76-V330 PolarHBondContact N-O 2.84Å; N76-G331 VanDerWaalsContact O-CA 3.27Å; N76-G331 WeakPolarHBondContact O-CA 3.39Å |
| 77 | K | 90.8 | Very high | 90.4 | Very high | 134 Ų | 134 | 65 Ų | 65 | 58% | 0.583 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 115.9 | 175 | -168 | 167.8 | -178.6 | 172.5 | 0 | 109.8 | L79 V85 | K77-L79 HydrophobicContact CD-CD2 3.95Å; K77-L79 HydrophobicContact CG-CD2 3.86Å; K77-L79 PolarHBondContact O-N 3.32Å; K77-V85 PolarHBondContact N-O 2.76Å; K77-V85 PolarHBondContact O-N 2.98Å |
| 78 | T | 87.1 | Confident | 90.7 | Very high | 88 Ų | 88 | 60.3 Ų | 60.3 | 54% | 0.54 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 110.9 | 172.9 | -55.3 | 0 | 0 | 0 | 0 | 108.1 | S80 K84 | T78-S80 WeakPolarHBondContact CG2-O 3.49Å; T78-K84 HydrophobicContact CG2-CG 4.12Å |
| 79 | L | 86.9 | Confident | 91 | Very high | 105 Ų | 105 | 62.5 Ų | 62.5 | 55% | 0.55 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | -33 | 179 | -58.1 | -176.9 | 0 | 0 | 0 | 111.4 | K77 F83 V85 | K77-L79 HydrophobicContact CD-CD2 3.95Å; K77-L79 HydrophobicContact CG-CD2 3.86Å; K77-L79 PolarHBondContact O-N 3.32Å; L79-F83 HydrophobicContact CB-CD1 4.07Å; L79-F83 HydrophobicContact CD1-CD1 3.77Å; L79-F83 HydrophobicContact CD1-CE1 3.78Å; L79-F83 HydrophobicContact CG-CD1 4.2Å; L79-F83 PolarHBondContact N-O 2.81Å; L79-V85 HydrophobicContact CD1-CG2 3.92Å; L79-V85 HydrophobicContact CG-CG2 4.31Å |
| 80 | S | 86.2 | Confident | 91.1 | Very high | 52 Ų | 52 | 61.6 Ų | 61.6 | 36% | 0.364 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 172.9 | 173.6 | 77.7 | 0 | 0 | 0 | 0 | 110.5 | T78 F82 F83 | T78-S80 WeakPolarHBondContact CG2-O 3.49Å; S80-F82 PolarHBondContact O-N 2.67Å; S80-F82 VanDerWaalsContact O-N 3.09Å; S80-F82 PolarHBondContact OG-N 3.06Å; S80-F83 PolarHBondContact N-O 2.84Å; S80-F83 PolarHBondContact O-N 2.82Å; S80-F83 VanDerWaalsContact OG-CB 3.32Å; S80-F83 WeakPolarHBondContact OG-CB 3.33Å; S80-F83 PolarHBondContact OG-N 2.82Å; S80-F83 VanDerWaalsContact OG-N 3.09Å |
| 81 | S | 81.3 | Confident | 91.1 | Very high | 91 Ų | 91 | 65.3 Ų | 65.3 | 64% | 0.636 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -20.6 | 174.7 | -57.8 | 0 | 0 | 0 | 0 | 113.7 | ||
| 82 | F | 84.6 | Confident | 90.9 | Very high | 85 Ų | 85 | 62.6 Ų | 62.6 | 37% | 0.373 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.7 | -3.7 | -175.2 | -58.7 | -57.7 | 0 | 0 | 0 | 112.9 | S80 H105 L106 S108 | S80-F82 PolarHBondContact O-N 2.67Å; S80-F82 VanDerWaalsContact O-N 3.09Å; S80-F82 PolarHBondContact OG-N 3.06Å; F82-H105 CarbonylContact O-C 3.55Å; F82-H105 VanDerWaalsContact O-CA 3.27Å; F82-H105 WeakPolarHBondContact O-CA 3.41Å; F82-H105 PolarHBondContact O-ND1 3.37Å; F82-L106 WeakPolarHBondContact CB-O 3.23Å; F82-L106 VanDerWaalsContact CD1-O 3.28Å; F82-L106 WeakPolarHBondContact CD1-O 3.36Å; F82-L106 PolarHBondContact O-N 2.84Å; F82-S108 WeakPolarHBondContact CE1-OG 3.07Å |
| 83 | F | 87.9 | Confident | 90.4 | Very high | 68 Ų | 68 | 64.2 Ų | 64.2 | 30% | 0.298 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 115.2 | -172.8 | -164.1 | -96.3 | 0 | 0 | 0 | 111.2 | L79 S80 V85 V103 E104 H105 | L79-F83 HydrophobicContact CB-CD1 4.07Å; L79-F83 HydrophobicContact CD1-CD1 3.77Å; L79-F83 HydrophobicContact CD1-CE1 3.78Å; L79-F83 HydrophobicContact CG-CD1 4.2Å; L79-F83 PolarHBondContact N-O 2.81Å; S80-F83 PolarHBondContact N-O 2.84Å; S80-F83 PolarHBondContact O-N 2.82Å; S80-F83 VanDerWaalsContact OG-CB 3.32Å; S80-F83 WeakPolarHBondContact OG-CB 3.33Å; S80-F83 PolarHBondContact OG-N 2.82Å; S80-F83 VanDerWaalsContact OG-N 3.09Å; F83-V85 HydrophobicContact CD1-CG2 3.83Å; F83-V85 HydrophobicContact CE1-CG2 3.26Å; F83-V85 HydrophobicContact CZ-CG2 4.08Å; F83-V103 HydrophobicContact CD2-CG1 4.3Å; F83-V103 HydrophobicContact CE1-CG1 4.24Å; F83-V103 HydrophobicContact CE2-CG1 3.38Å; F83-V103 HydrophobicContact CZ-CG1 3.35Å; F83-E104 WeakPolarHBondContact CA-O 3.27Å; F83-H105 HydrophobicContact CD2-CB 4.28Å |
| 84 | K | 90.6 | Very high | 89.8 | Confident | 95 Ų | 95 | 66.6 Ų | 66.6 | 41% | 0.413 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 138.2 | 177.9 | -66.3 | 177.2 | -172.5 | 165.5 | 0 | 109.7 | T78 E104 | T78-K84 HydrophobicContact CG2-CG 4.12Å; K84-E104 HydrophobicContact CB-CB 4.42Å; K84-E104 PolarHBondContact N-O 3.25Å; K84-E104 IonicContact NZ-OE2 2.81Å; K84-E104 PolarHBondContact O-N 2.84Å |
| 85 | V | 93.9 | Very high | 89.3 | Confident | 14 Ų | 14 | 67.4 Ų | 67.4 | 9% | 0.085 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 134.3 | 177.3 | -177.9 | 0 | 0 | 0 | 0 | 108.1 | K77 L79 F83 F101 H102 | K77-V85 PolarHBondContact N-O 2.76Å; K77-V85 PolarHBondContact O-N 2.98Å; L79-V85 HydrophobicContact CD1-CG2 3.92Å; L79-V85 HydrophobicContact CG-CG2 4.31Å; F83-V85 HydrophobicContact CD1-CG2 3.83Å; F83-V85 HydrophobicContact CE1-CG2 3.26Å; F83-V85 HydrophobicContact CZ-CG2 4.08Å; V85-F101 HydrophobicContact CG1-CD2 4.22Å; V85-F101 HydrophobicContact CG1-CE2 3.25Å; V85-F101 HydrophobicContact CG1-CZ 3.64Å; V85-H102 CarbonylContact C-O 3.59Å |
| 86 | S | 94.1 | Very high | 88.9 | Confident | 11 Ų | 11 | 70 Ų | 70 | 8% | 0.077 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 128.8 | 179.2 | -176 | 0 | 0 | 0 | 0 | 110.1 | I75 N76 H102 | I75-S86 CarbonylContact O-C 3.53Å; I75-S86 WeakPolarHBondContact O-CA 3.32Å; N76-S86 WeakPolarHBondContact OD1-CB 3.27Å; N76-S86 PolarHBondContact OD1-OG 2.77Å; S86-H102 PolarHBondContact N-O 2.71Å; S86-H102 PolarHBondContact O-N 3.3Å |
| 87 | H | 94.8 | Very high | 88.8 | Confident | 59 Ų | 59 | 70.5 Ų | 70.5 | 27% | 0.273 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 115.1 | 175.5 | -61.9 | -96.7 | 0 | 0 | 0 | 107.9 | I74 I75 Y99 F101 | I74-H87 CarbonylContact C-O 3.56Å; I74-H87 WeakPolarHBondContact CA-O 3.39Å; I75-H87 HydrophobicContact CB-CB 4.28Å; I75-H87 PolarHBondContact N-O 2.72Å; I75-H87 PolarHBondContact O-N 2.85Å; H87-Y99 HydrophobicContact CB-CE2 4.09Å; H87-Y99 PolarHBondContact CE1-OH 2.85Å; H87-Y99 AromaticContact ND1-CE2 3.92Å; H87-Y99 AromaticContact ND1-CZ 3.71Å; H87-Y99 PolarHBondContact ND1-OH 2.79Å; H87-F101 AromaticContact CE1-CD2 3.57Å; H87-F101 AromaticContact CE1-CE2 3.41Å; H87-F101 VanDerWaalsContact CE1-CE2 3.41Å; H87-F101 WeakPolarHBondContact CE1-CE2 3.33Å; H87-F101 AromaticContact ND1-CD2 3.69Å; H87-F101 AromaticContact NE2-CE2 3.8Å |
| 88 | T | 94.1 | Very high | 88.8 | Confident | 17 Ų | 17 | 67.4 Ų | 67.4 | 10% | 0.104 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 115.8 | 176.7 | -62.9 | 0 | 0 | 0 | 0 | 109.5 | K72 M73 I74 R100 | K72-T88 HydrophobicContact CG-CG2 4.34Å; M73-T88 CarbonylContact O-C 3.55Å; M73-T88 WeakPolarHBondContact O-CA 3.21Å; I74-T88 HydrophobicContact CG1-CG2 4.26Å; T88-R100 PolarHBondContact N-O 3Å; T88-R100 PolarHBondContact O-N 2.84Å |
| 89 | L | 93.9 | Very high | 89.1 | Confident | 67 Ų | 67 | 67.1 Ų | 67.1 | 35% | 0.351 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 120 | 170.5 | -67.6 | 157.1 | 0 | 0 | 0 | 107.7 | K72 M73 Y99 | K72-L89 CarbonylContact C-O 3.58Å; K72-L89 WeakPolarHBondContact CA-O 3.28Å; M73-L89 HydrophobicContact CB-CB 4.24Å; M73-L89 PolarHBondContact N-O 2.65Å; M73-L89 PolarHBondContact O-N 3.33Å; M73-L89 HydrophobicContact SD-CD1 4.21Å; L89-Y99 HydrophobicContact CD2-CD2 3.5Å; L89-Y99 VanDerWaalsContact CD2-CD2 3.5Å; L89-Y99 HydrophobicContact CD2-CE2 4.37Å; L89-Y99 HydrophobicContact CD2-CG 4.22Å; L89-Y99 HydrophobicContact CG-CD2 3.97Å |
| 90 | H | 92.9 | Very high | 89.5 | Confident | 20 Ų | 20 | 65.4 Ų | 65.4 | 9% | 0.093 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 112.5 | 176.4 | -174.5 | -92.5 | 0 | 0 | 0 | 109.4 | E69 S97 Y98 | E69-H90 PolarHBondContact O-NE2 2.84Å; H90-S97 CarbonylContact O-C 3.55Å; H90-S97 VanDerWaalsContact O-CA 3.26Å; H90-S97 WeakPolarHBondContact O-CA 3.39Å; H90-Y98 HydrophobicContact CB-CD1 4.14Å; H90-Y98 HydrophobicContact CB-CD2 4.29Å; H90-Y98 HydrophobicContact CB-CE1 3.69Å; H90-Y98 HydrophobicContact CB-CE2 3.85Å; H90-Y98 HydrophobicContact CB-CG 4.42Å; H90-Y98 AromaticContact CG-CE1 3.71Å; H90-Y98 AromaticContact CG-CZ 3.79Å; H90-Y98 PolarHBondContact N-O 2.84Å; H90-Y98 AromaticContact ND1-CE1 3.49Å; H90-Y98 WeakPolarHBondContact ND1-CE1 3.39Å; H90-Y98 PolarHBondContact O-N 2.61Å |
| 91 | L | 92 | Very high | 89.8 | Confident | 100 Ų | 100 | 66.5 Ų | 66.5 | 52% | 0.524 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 117.5 | 176.4 | -58.4 | 174.4 | 0 | 0 | 0 | 108.2 | G70 V71 S97 | G70-L91 CarbonylContact C-O 3.51Å; G70-L91 WeakPolarHBondContact CA-O 3.48Å; V71-L91 HydrophobicContact CB-CB 4.32Å; V71-L91 PolarHBondContact N-O 2.84Å; V71-L91 PolarHBondContact O-N 2.9Å; L91-S97 WeakPolarHBondContact CA-OG 3.38Å |
| 92 | S | 88.7 | Confident | 90.4 | Very high | 17 Ų | 17 | 63.8 Ų | 63.8 | 12% | 0.119 | 34% | 0.343 | C | S | . | . | trans | -126.9 | 151 | 177.7 | 161.9 | 0 | 0 | 0 | 0 | 110.3 | E69 V94 S95 S97 | E69-S92 PolarHBondContact OE1-OG 2.77Å; S92-V94 PolarHBondContact OG-N 2.8Å; S92-S95 WeakPolarHBondContact CB-O 3.43Å; S92-S95 WeakPolarHBondContact CB-OG 3.34Å; S92-S95 PolarHBondContact OG-N 2.87Å; S92-S95 PolarHBondContact OG-O 2.81Å; S92-S95 PolarHBondContact OG-OG 2.83Å; S92-S97 PolarHBondContact N-OG 2.82Å | ||
| 93 | A | 82.9 | Confident | 90.9 | Very high | 106 Ų | 106 | 61.2 Ų | 61.2 | 88% | 0.876 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -89 | -15.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 94 | V | 82.9 | Confident | 91 | Very high | 126 Ų | 126 | 60.2 Ų | 60.2 | 76% | 0.764 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -110.3 | -37.9 | -176.3 | -170 | 0 | 0 | 0 | 0 | 111.5 | E69 S92 | E69-V94 VanDerWaalsContact OE1-CB 3.24Å; E69-V94 WeakPolarHBondContact OE1-CB 3.4Å; E69-V94 WeakPolarHBondContact OE1-CG2 3.34Å; S92-V94 PolarHBondContact OG-N 2.8Å |
| 95 | S | 83.4 | Confident | 90.9 | Very high | 45 Ų | 45 | 59.3 Ų | 59.3 | 32% | 0.315 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -106.5 | 153.9 | 177.2 | 58.4 | 0 | 0 | 0 | 0 | 111.1 | S92 S97 | S92-S95 WeakPolarHBondContact CB-O 3.43Å; S92-S95 WeakPolarHBondContact CB-OG 3.34Å; S92-S95 PolarHBondContact OG-N 2.87Å; S92-S95 PolarHBondContact OG-O 2.81Å; S92-S95 PolarHBondContact OG-OG 2.83Å; S95-S97 PolarHBondContact O-N 2.77Å |
| 96 | P | 86.4 | Confident | 90.5 | Very high | 114 Ų | 114 | 61.5 Ų | 61.5 | 74% | 0.74 | 34% | 0.339 | S | S | * | . | trans | -55.5 | 132.6 | 175.5 | -24.2 | 33.7 | 0 | 0 | 0 | 111 | ||||
| 97 | S | 90.3 | Very high | 89.4 | Confident | 67 Ų | 67 | 65.7 Ų | 65.7 | 47% | 0.469 | 36% | 0.357 | S | S | . | . | trans | -67.1 | 136.2 | 172.7 | -65.4 | 0 | 0 | 0 | 0 | 109.5 | H90 L91 S92 S95 | H90-S97 CarbonylContact O-C 3.55Å; H90-S97 VanDerWaalsContact O-CA 3.26Å; H90-S97 WeakPolarHBondContact O-CA 3.39Å; L91-S97 WeakPolarHBondContact CA-OG 3.38Å; S92-S97 PolarHBondContact N-OG 2.82Å; S95-S97 PolarHBondContact O-N 2.77Å | ||
| 98 | Y | 90.4 | Very high | 87.8 | Confident | 68 Ų | 68 | 66 Ų | 66 | 27% | 0.267 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 151.1 | -179.3 | 64.4 | -92.5 | 0 | 0 | 0 | 111.4 | H90 R100 | H90-Y98 HydrophobicContact CB-CD1 4.14Å; H90-Y98 HydrophobicContact CB-CD2 4.29Å; H90-Y98 HydrophobicContact CB-CE1 3.69Å; H90-Y98 HydrophobicContact CB-CE2 3.85Å; H90-Y98 HydrophobicContact CB-CG 4.42Å; H90-Y98 AromaticContact CG-CE1 3.71Å; H90-Y98 AromaticContact CG-CZ 3.79Å; H90-Y98 PolarHBondContact N-O 2.84Å; H90-Y98 AromaticContact ND1-CE1 3.49Å; H90-Y98 WeakPolarHBondContact ND1-CE1 3.39Å; H90-Y98 PolarHBondContact O-N 2.61Å; Y98-R100 HydrophobicContact CD2-CB 4.22Å; Y98-R100 HydrophobicContact CE2-CB 4.29Å |
| 99 | Y | 93.8 | Very high | 85.9 | Confident | 83 Ų | 83 | 68.1 Ų | 68.1 | 33% | 0.325 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 133.6 | 166.4 | 167.8 | -104 | 0 | 0 | 0 | 108.4 | H87 L89 F101 D125 S126 | H87-Y99 HydrophobicContact CB-CE2 4.09Å; H87-Y99 PolarHBondContact CE1-OH 2.85Å; H87-Y99 AromaticContact ND1-CE2 3.92Å; H87-Y99 AromaticContact ND1-CZ 3.71Å; H87-Y99 PolarHBondContact ND1-OH 2.79Å; L89-Y99 HydrophobicContact CD2-CD2 3.5Å; L89-Y99 VanDerWaalsContact CD2-CD2 3.5Å; L89-Y99 HydrophobicContact CD2-CE2 4.37Å; L89-Y99 HydrophobicContact CD2-CG 4.22Å; L89-Y99 HydrophobicContact CG-CD2 3.97Å; Y99-F101 HydrophobicContact CE1-CB 4.06Å; Y99-D125 CarbonylContact O-C 3.54Å; Y99-D125 WeakPolarHBondContact O-CA 3.44Å; Y99-S126 PolarHBondContact N-OG 2.83Å; Y99-S126 PolarHBondContact O-N 2.82Å |
| 100 | R | 93.8 | Very high | 83.7 | Confident | 68 Ų | 68 | 72.8 Ų | 72.8 | 26% | 0.257 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 126.9 | 176.9 | -170.3 | -179.9 | -57.7 | 171.1 | 5.3 | 110.2 | T88 Y98 E123 M124 | T88-R100 PolarHBondContact N-O 3Å; T88-R100 PolarHBondContact O-N 2.84Å; Y98-R100 HydrophobicContact CD2-CB 4.22Å; Y98-R100 HydrophobicContact CE2-CB 4.29Å; R100-E123 WeakPolarHBondContact CD-OE2 3.03Å; R100-E123 HydrophobicContact CG-CB 4.38Å; R100-E123 IonicContact CZ-OE2 2.69Å; R100-E123 IonicContact NE-OE2 3.84Å; R100-E123 IonicContact NH1-OE2 3.65Å; R100-E123 PolarHBondContact NH1-OE2 2.93Å; R100-E123 VanDerWaalsContact NH1-OE2 3.16Å; R100-M124 WeakPolarHBondContact CA-O 3.28Å |
| 101 | F | 94.3 | Very high | 81.5 | Confident | 75 Ų | 75 | 81.3 Ų | 81.3 | 33% | 0.329 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 118.9 | 173.5 | -175.6 | -114.9 | 0 | 0 | 0 | 108.9 | V85 H87 Y99 V103 E123 M124 | V85-F101 HydrophobicContact CG1-CD2 4.22Å; V85-F101 HydrophobicContact CG1-CE2 3.25Å; V85-F101 HydrophobicContact CG1-CZ 3.64Å; H87-F101 AromaticContact CE1-CD2 3.57Å; H87-F101 AromaticContact CE1-CE2 3.41Å; H87-F101 VanDerWaalsContact CE1-CE2 3.41Å; H87-F101 WeakPolarHBondContact CE1-CE2 3.33Å; H87-F101 AromaticContact ND1-CD2 3.69Å; H87-F101 AromaticContact NE2-CE2 3.8Å; Y99-F101 HydrophobicContact CE1-CB 4.06Å; F101-V103 HydrophobicContact CD1-CG2 3.9Å; F101-V103 HydrophobicContact CE1-CG2 3.2Å; F101-V103 HydrophobicContact CE2-CG2 4.38Å; F101-V103 HydrophobicContact CZ-CG2 3.49Å; F101-V103 VanDerWaalsContact CZ-CG2 3.49Å; F101-E123 CarbonylContact O-C 3.6Å; F101-E123 WeakPolarHBondContact O-CA 3.18Å; F101-M124 PolarHBondContact N-O 2.72Å; F101-M124 PolarHBondContact O-N 3.49Å |
| 102 | H | 93.7 | Very high | 79.2 | Confident | 35 Ų | 35 | 78.9 Ų | 78.9 | 16% | 0.162 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 131.2 | 179 | 165.8 | -78.1 | 0 | 0 | 0 | 109.4 | V85 S86 I121 G122 E123 | V85-H102 CarbonylContact C-O 3.59Å; S86-H102 PolarHBondContact N-O 2.71Å; S86-H102 PolarHBondContact O-N 3.3Å; H102-I121 VanDerWaalsContact NE2-CG2 3.32Å; H102-I121 WeakPolarHBondContact NE2-CG2 3.38Å; H102-G122 CarbonylContact C-O 3.54Å; H102-G122 WeakPolarHBondContact CA-O 3.32Å; H102-E123 HydrophobicContact CB-CG 3.96Å; H102-E123 VanDerWaalsContact CD2-CG 3.43Å; H102-E123 WeakPolarHBondContact CD2-CG 3.42Å; H102-E123 IonicContact CD2-OE1 2.96Å; H102-E123 PolarHBondContact CD2-OE1 2.8Å; H102-E123 VanDerWaalsContact CD2-OE1 3.24Å |
| 103 | V | 93.7 | Very high | 77.3 | Confident | 31 Ų | 31 | 88.9 Ų | 88.9 | 19% | 0.188 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 130.2 | 175.3 | 179.3 | 0 | 0 | 0 | 0 | 108.3 | F83 F101 I121 G122 | F83-V103 HydrophobicContact CD2-CG1 4.3Å; F83-V103 HydrophobicContact CE1-CG1 4.24Å; F83-V103 HydrophobicContact CE2-CG1 3.38Å; F83-V103 HydrophobicContact CZ-CG1 3.35Å; F101-V103 HydrophobicContact CD1-CG2 3.9Å; F101-V103 HydrophobicContact CE1-CG2 3.2Å; F101-V103 HydrophobicContact CE2-CG2 4.38Å; F101-V103 HydrophobicContact CZ-CG2 3.49Å; F101-V103 VanDerWaalsContact CZ-CG2 3.49Å; V103-I121 CarbonylContact O-C 3.45Å; V103-I121 WeakPolarHBondContact O-CA 3.5Å; V103-G122 PolarHBondContact N-O 3Å; V103-G122 PolarHBondContact O-N 3.43Å |
| 104 | E | 90.8 | Very high | 75.7 | Confident | 46 Ų | 46 | 87.7 Ų | 87.7 | 22% | 0.215 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 121.7 | 174.3 | 173.9 | -177.1 | -153.8 | 0 | 0 | 108.6 | F83 K84 I121 | F83-E104 WeakPolarHBondContact CA-O 3.27Å; K84-E104 HydrophobicContact CB-CB 4.42Å; K84-E104 PolarHBondContact N-O 3.25Å; K84-E104 IonicContact NZ-OE2 2.81Å; K84-E104 PolarHBondContact O-N 2.84Å; E104-I121 HydrophobicContact CB-CG1 4.28Å; E104-I121 HydrophobicContact CG-CG1 4.04Å |
| 105 | H | 89.1 | Confident | 74.3 | Confident | 76 Ų | 76 | 91.2 Ų | 91.2 | 35% | 0.352 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 113.8 | 169.8 | -176.3 | 50.8 | 0 | 0 | 0 | 109.4 | F82 F83 A119 L120 | F82-H105 CarbonylContact O-C 3.55Å; F82-H105 VanDerWaalsContact O-CA 3.27Å; F82-H105 WeakPolarHBondContact O-CA 3.41Å; F82-H105 PolarHBondContact O-ND1 3.37Å; F83-H105 HydrophobicContact CD2-CB 4.28Å; H105-A119 CarbonylContact O-C 3.55Å; H105-A119 WeakPolarHBondContact O-CA 3.28Å; H105-L120 HydrophobicContact CB-CB 4.4Å; H105-L120 PolarHBondContact N-O 2.6Å; H105-L120 PolarHBondContact O-N 3.48Å |
| 106 | L | 84.2 | Confident | 73.2 | Confident | 60 Ų | 60 | 92 Ų | 92 | 31% | 0.314 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 125 | 174.1 | -159.4 | 87.6 | 0 | 0 | 0 | 108.4 | F82 A117 A119 | F82-L106 WeakPolarHBondContact CB-O 3.23Å; F82-L106 VanDerWaalsContact CD1-O 3.28Å; F82-L106 WeakPolarHBondContact CD1-O 3.36Å; F82-L106 PolarHBondContact O-N 2.84Å; L106-A117 HydrophobicContact CD1-CB 4.16Å; L106-A117 HydrophobicContact CD2-CB 4.22Å; L106-A117 HydrophobicContact CG-CB 4.1Å; L106-A119 HydrophobicContact CD1-CB 4.14Å |
| 107 | Q | 72.3 | Confident | 72.3 | Confident | 100 Ų | 100 | 87.7 Ų | 87.7 | 47% | 0.467 | 43% | 0.426 | S | S | . | . | trans | -88.1 | 128.4 | 173.1 | 176.7 | 170.7 | 2.8 | 0 | 0 | 109.1 | D109 P118 | Q107-D109 PolarHBondContact O-N 3.08Å; Q107-D109 VanDerWaalsContact O-N 3.17Å; Q107-P118 HydrophobicContact CB-CB 4.26Å; Q107-P118 HydrophobicContact CB-CG 3.94Å; Q107-P118 HydrophobicContact CG-CG 4.17Å; Q107-P118 PolarHBondContact N-O 2.79Å | ||
| 108 | S | 59.8 | Low | 71.9 | Confident | 65 Ų | 65 | 84.8 Ų | 84.8 | 46% | 0.455 | 41% | 0.406 | S | S | . | . | trans | -71.7 | 107.2 | 174.4 | -151.6 | 0 | 0 | 0 | 0 | 108.9 | F82 | F82-S108 WeakPolarHBondContact CE1-OG 3.07Š| ||
| 109 | D | 53.9 | Low | 71.8 | Confident | 62 Ų | 62 | 82 Ų | 82 | 33% | 0.332 | 40% | 0.396 | S | S | . | . | trans | -93.3 | 111.5 | 160.7 | -94.1 | -13.2 | 0 | 0 | 0 | 108.4 | Q107 Y111 P118 | Q107-D109 PolarHBondContact O-N 3.08Å; Q107-D109 VanDerWaalsContact O-N 3.17Å; D109-Y111 PolarHBondContact O-N 3.46Å; D109-P118 HydrophobicContact CB-CG 4.43Å; D109-P118 WeakPolarHBondContact OD2-CD 3.42Å; D109-P118 WeakPolarHBondContact OD2-CG 3.35Å | ||
| 110 | D | 48.6 | Very low | 71.6 | Confident | 164 Ų | 164 | 82.2 Ų | 82.2 | 88% | 0.877 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -7.1 | 171.3 | -78.6 | -26.2 | 0 | 0 | 0 | 112.7 | ||
| 111 | Y | 46.9 | Very low | 71.6 | Confident | 200 Ų | 200 | 81.1 Ų | 81.1 | 78% | 0.784 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -11.6 | -171.1 | -114.8 | -92.9 | 0 | 0 | 0 | 115.8 | D109 | D109-Y111 PolarHBondContact O-N 3.46Š|
| 112 | S | 43.4 | Very low | 71.5 | Confident | 49 Ų | 49 | 78.8 Ų | 78.8 | 34% | 0.343 | 40% | 0.398 | S | S | . | . | trans | -142.5 | 124.2 | -179.5 | 104.3 | 0 | 0 | 0 | 0 | 113.6 | D114 | S112-D114 PolarHBondContact O-N 3.2Å; S112-D114 VanDerWaalsContact O-N 3.07Å; S112-D114 WeakPolarHBondContact OG-CB 3.37Å; S112-D114 PolarHBondContact OG-N 3.13Å | ||
| 113 | K | 47.8 | Very low | 71.5 | Confident | 226 Ų | 226 | 79.1 Ų | 79.1 | 98% | 0.983 | 40% | 0.4 | S | S | * | . | trans | -71.9 | 21.8 | 160.7 | -72.6 | -178.1 | 175.4 | 176.5 | 0 | 111.9 | ||||
| 114 | D | 50.3 | Low | 71.5 | Confident | 82 Ų | 82 | 82.6 Ų | 82.6 | 44% | 0.439 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -92.1 | 146.7 | -177.2 | -154.7 | 7.8 | 0 | 0 | 0 | 110.7 | S112 D116 R143 | S112-D114 PolarHBondContact O-N 3.2Å; S112-D114 VanDerWaalsContact O-N 3.07Å; S112-D114 WeakPolarHBondContact OG-CB 3.37Å; S112-D114 PolarHBondContact OG-N 3.13Å; D114-D116 PolarHBondContact O-N 2.88Å; D114-R143 IonicContact OD2-CZ 3.16Å; D114-R143 IonicContact OD2-NH2 3.85Å; D114-R143 PolarHBondContact OD2-NH2 2.96Å |
| 115 | K | 53.6 | Low | 71.5 | Confident | 199 Ų | 199 | 81.9 Ų | 81.9 | 87% | 0.865 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -71.5 | -1.6 | -166.1 | -75.1 | -176.6 | 174.9 | -178.2 | 0 | 115.2 | ||
| 116 | D | 60.5 | Low | 71.4 | Confident | 61 Ų | 61 | 82.1 Ų | 82.1 | 33% | 0.326 | 42% | 0.423 | S | S | . | . | trans | -123.5 | 60.3 | -170.5 | -61.8 | -32.4 | 0 | 0 | 0 | 110.9 | D114 L135 H137 R143 R165 | D114-D116 PolarHBondContact O-N 2.88Å; D116-L135 HydrophobicContact CB-CD2 4.4Å; D116-H137 PolarHBondContact O-CE1 2.7Å; D116-H137 PolarHBondContact O-NE2 2.84Å; D116-R143 IonicContact OD2-CZ 3.08Å; D116-R143 IonicContact OD2-NH1 3.19Å; D116-R143 PolarHBondContact OD2-NH1 2.96Å; D116-R165 IonicContact OD2-NH1 3.91Å; D116-R165 PolarHBondContact OD2-NH1 3.11Å | ||
| 117 | A | 67.6 | Low | 71.5 | Confident | 24 Ų | 24 | 82.2 Ų | 82.2 | 20% | 0.198 | 43% | 0.429 | C | S | . | . | trans | -59.4 | 152.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L106 A119 | L106-A117 HydrophobicContact CD1-CB 4.16Å; L106-A117 HydrophobicContact CD2-CB 4.22Å; L106-A117 HydrophobicContact CG-CB 4.1Å; A117-A119 PolarHBondContact O-N 2.93Å | ||
| 118 | P | 82.3 | Confident | 72 | Confident | 6 Ų | 6 | 78.7 Ų | 78.7 | 4% | 0.039 | 42% | 0.419 | C | S | . | . | trans | -53.6 | 132.1 | 175 | 18.9 | -29.2 | 0 | 0 | 0 | 110.6 | Q107 D109 L135 | Q107-P118 HydrophobicContact CB-CB 4.26Å; Q107-P118 HydrophobicContact CB-CG 3.94Å; Q107-P118 HydrophobicContact CG-CG 4.17Å; Q107-P118 PolarHBondContact N-O 2.79Å; D109-P118 HydrophobicContact CB-CG 4.43Å; D109-P118 WeakPolarHBondContact OD2-CD 3.42Å; D109-P118 WeakPolarHBondContact OD2-CG 3.35Å; P118-L135 CarbonylContact C-O 3.47Å; P118-L135 VanDerWaalsContact CA-O 3.23Å; P118-L135 WeakPolarHBondContact CA-O 3.41Å; P118-L135 WeakPolarHBondContact CB-O 3.49Å | ||
| 119 | A | 87.3 | Confident | 73.4 | Confident | 9 Ų | 9 | 76.2 Ų | 76.2 | 7% | 0.074 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 137.6 | -171.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | H105 L106 A117 L135 | H105-A119 CarbonylContact O-C 3.55Å; H105-A119 WeakPolarHBondContact O-CA 3.28Å; L106-A119 HydrophobicContact CD1-CB 4.14Å; A117-A119 PolarHBondContact O-N 2.93Å; A119-L135 PolarHBondContact N-O 2.87Å; A119-L135 PolarHBondContact O-N 2.82Å |
| 120 | L | 90.6 | Very high | 75.2 | Confident | 89 Ų | 89 | 76.7 Ų | 76.7 | 47% | 0.466 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 119 | 170.4 | -67.1 | 169.9 | 0 | 0 | 0 | 107.9 | H105 A134 | H105-L120 HydrophobicContact CB-CB 4.4Å; H105-L120 PolarHBondContact N-O 2.6Å; H105-L120 PolarHBondContact O-N 3.48Å; L120-A134 HydrophobicContact CD2-CB 3.47Å; L120-A134 VanDerWaalsContact CD2-CB 3.47Å |
| 121 | I | 92.2 | Very high | 77.3 | Confident | 45 Ų | 45 | 70.3 Ų | 70.3 | 23% | 0.231 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 127.5 | -179.3 | -59.7 | 165.9 | 0 | 0 | 0 | 107.8 | H102 V103 E104 A132 H133 | H102-I121 VanDerWaalsContact NE2-CG2 3.32Å; H102-I121 WeakPolarHBondContact NE2-CG2 3.38Å; V103-I121 CarbonylContact O-C 3.45Å; V103-I121 WeakPolarHBondContact O-CA 3.5Å; E104-I121 HydrophobicContact CB-CG1 4.28Å; E104-I121 HydrophobicContact CG-CG1 4.04Å; I121-A132 CarbonylContact O-C 3.59Å; I121-A132 WeakPolarHBondContact O-CA 3.43Å; I121-H133 HydrophobicContact CB-CB 4.24Å; I121-H133 PolarHBondContact N-O 2.79Å; I121-H133 PolarHBondContact O-N 3.21Å |
| 122 | G | 93.8 | Very high | 79.4 | Confident | 25 Ų | 25 | 62.1 Ų | 62.1 | 26% | 0.258 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 126.1 | 174 | 0 | 0 | 0 | 0 | 0 | 110.4 | H102 V103 | H102-G122 CarbonylContact C-O 3.54Å; H102-G122 WeakPolarHBondContact CA-O 3.32Å; V103-G122 PolarHBondContact N-O 3Å; V103-G122 PolarHBondContact O-N 3.43Å |
| 123 | E | 93.6 | Very high | 81.7 | Confident | 43 Ų | 43 | 62.2 Ų | 62.2 | 20% | 0.201 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 128.3 | 171.2 | -63.5 | -169.7 | 177.5 | 0 | 0 | 109.8 | R100 F101 H102 L130 N131 | R100-E123 WeakPolarHBondContact CD-OE2 3.03Å; R100-E123 HydrophobicContact CG-CB 4.38Å; R100-E123 IonicContact CZ-OE2 2.69Å; R100-E123 IonicContact NE-OE2 3.84Å; R100-E123 IonicContact NH1-OE2 3.65Å; R100-E123 PolarHBondContact NH1-OE2 2.93Å; R100-E123 VanDerWaalsContact NH1-OE2 3.16Å; F101-E123 CarbonylContact O-C 3.6Å; F101-E123 WeakPolarHBondContact O-CA 3.18Å; H102-E123 HydrophobicContact CB-CG 3.96Å; H102-E123 VanDerWaalsContact CD2-CG 3.43Å; H102-E123 WeakPolarHBondContact CD2-CG 3.42Å; H102-E123 IonicContact CD2-OE1 2.96Å; H102-E123 PolarHBondContact CD2-OE1 2.8Å; H102-E123 VanDerWaalsContact CD2-OE1 3.24Å; E123-L130 CarbonylContact O-C 3.59Å; E123-L130 WeakPolarHBondContact O-CA 3.3Å; E123-N131 HydrophobicContact CB-CB 4.25Å; E123-N131 PolarHBondContact N-O 2.84Å; E123-N131 PolarHBondContact O-N 2.8Å |
| 124 | M | 93.1 | Very high | 83.8 | Confident | 103 Ų | 103 | 52.2 Ų | 52.2 | 51% | 0.507 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 130.8 | 171.8 | -169.7 | 174.9 | -177.3 | 0 | 0 | 109.6 | R100 F101 L130 | R100-M124 WeakPolarHBondContact CA-O 3.28Å; F101-M124 PolarHBondContact N-O 2.72Å; F101-M124 PolarHBondContact O-N 3.49Å; M124-L130 HydrophobicContact CB-CD1 4.19Å |
| 125 | D | 90.6 | Very high | 85.7 | Confident | 32 Ų | 32 | 50.4 Ų | 50.4 | 17% | 0.171 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 164.9 | 172.6 | 74.6 | 21.7 | 0 | 0 | 0 | 112.5 | Y99 S127 G128 S129 | Y99-D125 CarbonylContact O-C 3.54Å; Y99-D125 WeakPolarHBondContact O-CA 3.44Å; D125-S127 PolarHBondContact O-N 2.81Å; D125-S127 VanDerWaalsContact O-N 3.14Å; D125-S127 WeakPolarHBondContact OD1-CA 3.49Å; D125-S127 WeakPolarHBondContact OD1-CB 3.01Å; D125-S127 PolarHBondContact OD1-N 3.37Å; D125-S127 PolarHBondContact OD1-OG 2.76Å; D125-S127 PolarHBondContact OD2-OG 3.01Å; D125-S127 VanDerWaalsContact OD2-OG 3.11Å; D125-G128 PolarHBondContact O-N 2.8Å; D125-G128 VanDerWaalsContact O-N 3.13Å; D125-G128 PolarHBondContact OD1-N 2.84Å; D125-G128 VanDerWaalsContact OD1-N 3.08Å; D125-S129 PolarHBondContact N-O 2.82Å; D125-S129 WeakPolarHBondContact OD1-CB 3.41Å; D125-S129 PolarHBondContact OD1-N 3.18Å; D125-S129 VanDerWaalsContact OD2-CB 3.26Å; D125-S129 WeakPolarHBondContact OD2-CB 3.22Å; D125-S129 PolarHBondContact OD2-OG 2.84Å |
| 126 | S | 87.6 | Confident | 87.3 | Confident | 80 Ų | 80 | 44.3 Ų | 44.3 | 56% | 0.559 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -12.3 | 177.9 | 54.1 | 0 | 0 | 0 | 0 | 114.4 | Y99 G128 | Y99-S126 PolarHBondContact N-OG 2.83Å; Y99-S126 PolarHBondContact O-N 2.82Å; S126-G128 VanDerWaalsContact C-N 3.34Å |
| 127 | S | 84.8 | Confident | 88.5 | Confident | 63 Ų | 63 | 43.5 Ų | 43.5 | 44% | 0.441 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -5.6 | 177 | 77.7 | 0 | 0 | 0 | 0 | 112.9 | D125 S129 Q152 | D125-S127 PolarHBondContact O-N 2.81Å; D125-S127 VanDerWaalsContact O-N 3.14Å; D125-S127 WeakPolarHBondContact OD1-CA 3.49Å; D125-S127 WeakPolarHBondContact OD1-CB 3.01Å; D125-S127 PolarHBondContact OD1-N 3.37Å; D125-S127 PolarHBondContact OD1-OG 2.76Å; D125-S127 PolarHBondContact OD2-OG 3.01Å; D125-S127 VanDerWaalsContact OD2-OG 3.11Å; S127-S129 PolarHBondContact OG-OG 3.24Å; S127-S129 VanDerWaalsContact OG-OG 3.08Å; S127-Q152 WeakPolarHBondContact O-CG 3.14Å |
| 128 | G | 83.9 | Confident | 89.1 | Confident | 25 Ų | 25 | 47.5 Ų | 47.5 | 26% | 0.258 | 28% | 0.277 | S | S | . | . | S | Bend | trans | 86.3 | 13.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | D125 S126 | D125-G128 PolarHBondContact O-N 2.8Å; D125-G128 VanDerWaalsContact O-N 3.13Å; D125-G128 PolarHBondContact OD1-N 2.84Å; D125-G128 VanDerWaalsContact OD1-N 3.08Å; S126-G128 VanDerWaalsContact C-N 3.34Å |
| 129 | S | 89.4 | Confident | 89.1 | Confident | 14 Ų | 14 | 51.5 Ų | 51.5 | 10% | 0.098 | 30% | 0.301 | C | S | . | . | trans | -83.3 | 124.1 | 170.9 | -48.3 | 0 | 0 | 0 | 0 | 109.3 | D125 S127 T150 | D125-S129 PolarHBondContact N-O 2.82Å; D125-S129 WeakPolarHBondContact OD1-CB 3.41Å; D125-S129 PolarHBondContact OD1-N 3.18Å; D125-S129 VanDerWaalsContact OD2-CB 3.26Å; D125-S129 WeakPolarHBondContact OD2-CB 3.22Å; D125-S129 PolarHBondContact OD2-OG 2.84Å; S127-S129 PolarHBondContact OG-OG 3.24Å; S127-S129 VanDerWaalsContact OG-OG 3.08Å; S129-T150 VanDerWaalsContact CA-O 3.22Å; S129-T150 WeakPolarHBondContact CA-O 3.36Å; S129-T150 VanDerWaalsContact CB-O 3.24Å; S129-T150 WeakPolarHBondContact CB-O 3.43Å | ||
| 130 | L | 90.6 | Very high | 88.6 | Confident | 71 Ų | 71 | 58.7 Ų | 58.7 | 37% | 0.372 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 128.5 | 179.4 | 177.4 | 74 | 0 | 0 | 0 | 108.9 | E123 M124 Q149 T150 | E123-L130 CarbonylContact O-C 3.59Å; E123-L130 WeakPolarHBondContact O-CA 3.3Å; M124-L130 HydrophobicContact CB-CD1 4.19Å; L130-Q149 CarbonylContact O-C 3.58Å; L130-Q149 WeakPolarHBondContact O-CA 3.29Å; L130-T150 VanDerWaalsContact CB-OG1 3.31Å; L130-T150 WeakPolarHBondContact CB-OG1 3.3Å; L130-T150 PolarHBondContact N-O 2.85Å; L130-T150 PolarHBondContact N-OG1 2.78Å; L130-T150 PolarHBondContact O-N 2.86Å |
| 131 | N | 92.6 | Very high | 88.3 | Confident | 31 Ų | 31 | 60.7 Ų | 60.7 | 17% | 0.166 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 117.6 | 165.1 | -59.6 | -51.3 | 0 | 0 | 0 | 108.8 | E123 F148 Q149 | E123-N131 HydrophobicContact CB-CB 4.25Å; E123-N131 PolarHBondContact N-O 2.84Å; E123-N131 PolarHBondContact O-N 2.8Å; N131-F148 CarbonylContact C-O 3.59Å; N131-F148 WeakPolarHBondContact CA-O 3.47Å; N131-Q149 WeakPolarHBondContact OD1-CG 3.5Å |
| 132 | A | 92.7 | Very high | 88.1 | Confident | 28 Ų | 28 | 60.1 Ų | 60.1 | 23% | 0.231 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 131.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | I121 V147 F148 | I121-A132 CarbonylContact O-C 3.59Å; I121-A132 WeakPolarHBondContact O-CA 3.43Å; A132-V147 CarbonylContact O-C 3.56Å; A132-V147 WeakPolarHBondContact O-CA 3.29Å; A132-F148 HydrophobicContact CB-CB 4.37Å; A132-F148 PolarHBondContact N-O 2.79Å; A132-F148 PolarHBondContact O-N 2.77Å |
| 133 | H | 92 | Very high | 87.8 | Confident | 51 Ų | 51 | 59.8 Ų | 59.8 | 24% | 0.236 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 126.9 | 172.7 | -54.2 | -86 | 0 | 0 | 0 | 108.8 | I121 T146 V147 | I121-H133 HydrophobicContact CB-CB 4.24Å; I121-H133 PolarHBondContact N-O 2.79Å; I121-H133 PolarHBondContact O-N 3.21Å; H133-T146 CarbonylContact C-O 3.55Å; H133-T146 WeakPolarHBondContact CA-O 3.4Å; H133-V147 WeakPolarHBondContact CE1-CG1 3.23Å; H133-V147 WeakPolarHBondContact ND1-CG1 3.32Å; H133-V147 VanDerWaalsContact ND1-CG2 3.28Å; H133-V147 WeakPolarHBondContact ND1-CG2 3.38Å |
| 134 | A | 90.9 | Very high | 87.7 | Confident | 16 Ų | 16 | 58.3 Ų | 58.3 | 13% | 0.132 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 126.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | L120 R145 T146 | L120-A134 HydrophobicContact CD2-CB 3.47Å; L120-A134 VanDerWaalsContact CD2-CB 3.47Å; A134-R145 CarbonylContact O-C 3.56Å; A134-R145 VanDerWaalsContact O-CA 3.31Å; A134-R145 WeakPolarHBondContact O-CA 3.2Å; A134-T146 WeakPolarHBondContact CB-OG1 3.34Å; A134-T146 PolarHBondContact N-O 2.85Å; A134-T146 PolarHBondContact O-N 3.41Å |
| 135 | L | 89.6 | Confident | 87.6 | Confident | 43 Ų | 43 | 58.6 Ų | 58.6 | 23% | 0.225 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 118.1 | 170.7 | -176.6 | 70.3 | 0 | 0 | 0 | 107.8 | D116 P118 A119 R145 | D116-L135 HydrophobicContact CB-CD2 4.4Å; P118-L135 CarbonylContact C-O 3.47Å; P118-L135 VanDerWaalsContact CA-O 3.23Å; P118-L135 WeakPolarHBondContact CA-O 3.41Å; P118-L135 WeakPolarHBondContact CB-O 3.49Å; A119-L135 PolarHBondContact N-O 2.87Å; A119-L135 PolarHBondContact O-N 2.82Å; L135-R145 HydrophobicContact CD1-CB 4.12Å; L135-R145 HydrophobicContact CD1-CG 4.4Å |
| 136 | L | 87.5 | Confident | 87.7 | Confident | 71 Ų | 71 | 58.3 Ų | 58.3 | 37% | 0.372 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 136.5 | -176.9 | -59.7 | 174.9 | 0 | 0 | 0 | 109.6 | R143 A144 | L136-R143 WeakPolarHBondContact O-CA 3.38Å; L136-A144 HydrophobicContact CB-CB 4.46Å; L136-A144 PolarHBondContact N-O 2.95Å; L136-A144 PolarHBondContact O-N 2.87Å |
| 137 | H | 85.4 | Confident | 88 | Confident | 45 Ų | 45 | 55.5 Ų | 55.5 | 21% | 0.208 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 103.8 | 169.6 | -74.4 | -176.5 | 0 | 0 | 0 | 108.6 | D116 R143 | D116-H137 PolarHBondContact O-CE1 2.7Å; D116-H137 PolarHBondContact O-NE2 2.84Å; H137-R143 WeakPolarHBondContact NE2-CD 3.39Å; H137-R143 PolarHBondContact NE2-NE 3.41Å |
| 138 | L | 80.6 | Confident | 88.4 | Confident | 108 Ų | 108 | 55.8 Ų | 55.8 | 57% | 0.565 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.6 | -32.5 | 179.1 | -62.4 | 178.8 | 0 | 0 | 0 | 111.1 | V142 A144 | L138-V142 HydrophobicContact CB-CB 4.37Å; L138-V142 HydrophobicContact CB-CG1 4.19Å; L138-V142 HydrophobicContact CD1-CG1 4.16Å; L138-V142 PolarHBondContact N-O 2.85Å; L138-A144 HydrophobicContact CD1-CB 3.79Å; L138-A144 HydrophobicContact CG-CB 4.03Å |
| 139 | T | 81.8 | Confident | 88.7 | Confident | 89 Ų | 89 | 58.4 Ų | 58.4 | 55% | 0.546 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 167 | 178.5 | -47.4 | 0 | 0 | 0 | 0 | 108.6 | R141 V142 | T139-R141 PolarHBondContact O-N 3.34Å; T139-V142 PolarHBondContact N-O 2.87Å; T139-V142 PolarHBondContact O-N 2.78Å; T139-V142 VanDerWaalsContact O-N 3.09Å; T139-V142 VanDerWaalsContact O-O 3.06Å |
| 140 | E | 78.5 | Confident | 88.8 | Confident | 160 Ų | 160 | 58.6 Ų | 58.6 | 75% | 0.748 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.6 | -27 | 176.4 | -65 | -174.6 | 169.5 | 0 | 0 | 114.3 | ||
| 141 | R | 83.4 | Confident | 88.6 | Confident | 132 Ų | 132 | 60.9 Ų | 60.9 | 50% | 0.498 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | -9.7 | -178.6 | -61.8 | -173.4 | -173.2 | -175.9 | 1.8 | 114.4 | T139 Y164 R165 | T139-R141 PolarHBondContact O-N 3.34Å; R141-Y164 HydrophobicContact CB-CE2 4.2Å; R141-Y164 CarbonylContact O-C 3.55Å; R141-Y164 WeakPolarHBondContact O-CA 3.43Å; R141-R165 WeakPolarHBondContact CB-O 3.26Å; R141-R165 PolarHBondContact O-N 3.04Å |
| 142 | V | 86.9 | Confident | 88.1 | Confident | 33 Ų | 33 | 66.2 Ų | 66.2 | 20% | 0.2 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 121.9 | -173.5 | -176 | 0 | 0 | 0 | 0 | 109.5 | L138 T139 T162 E163 Y164 | L138-V142 HydrophobicContact CB-CB 4.37Å; L138-V142 HydrophobicContact CB-CG1 4.19Å; L138-V142 HydrophobicContact CD1-CG1 4.16Å; L138-V142 PolarHBondContact N-O 2.85Å; T139-V142 PolarHBondContact N-O 2.87Å; T139-V142 PolarHBondContact O-N 2.78Å; T139-V142 VanDerWaalsContact O-N 3.09Å; T139-V142 VanDerWaalsContact O-O 3.06Å; V142-T162 HydrophobicContact CG1-CG2 4.05Å; V142-E163 WeakPolarHBondContact CA-O 3.41Å; V142-Y164 HydrophobicContact CG2-CD2 3.84Å; V142-Y164 HydrophobicContact CG2-CE2 4.33Å |
| 143 | R | 88.1 | Confident | 87.3 | Confident | 18 Ų | 18 | 70.5 Ų | 70.5 | 7% | 0.068 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 136.6 | 177.4 | -55.4 | -173.1 | -177.5 | -170.6 | 2.7 | 109 | D114 D116 L136 H137 T162 E163 | D114-R143 IonicContact OD2-CZ 3.16Å; D114-R143 IonicContact OD2-NH2 3.85Å; D114-R143 PolarHBondContact OD2-NH2 2.96Å; D116-R143 IonicContact OD2-CZ 3.08Å; D116-R143 IonicContact OD2-NH1 3.19Å; D116-R143 PolarHBondContact OD2-NH1 2.96Å; L136-R143 WeakPolarHBondContact O-CA 3.38Å; H137-R143 WeakPolarHBondContact NE2-CD 3.39Å; H137-R143 PolarHBondContact NE2-NE 3.41Å; R143-T162 CarbonylContact O-C 3.57Å; R143-T162 WeakPolarHBondContact O-CA 3.32Å; R143-E163 HydrophobicContact CB-CB 4.44Å; R143-E163 PolarHBondContact N-O 3.07Å; R143-E163 PolarHBondContact O-N 2.99Å |
| 144 | A | 91.1 | Very high | 86.8 | Confident | 12 Ų | 12 | 75.2 Ų | 75.2 | 10% | 0.099 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 133.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | L136 L138 E161 | L136-A144 HydrophobicContact CB-CB 4.46Å; L136-A144 PolarHBondContact N-O 2.95Å; L136-A144 PolarHBondContact O-N 2.87Å; L138-A144 HydrophobicContact CD1-CB 3.79Å; L138-A144 HydrophobicContact CG-CB 4.03Å; A144-E161 CarbonylContact C-O 3.6Å; A144-E161 WeakPolarHBondContact CA-O 3.46Å |
| 145 | R | 91.6 | Very high | 86.3 | Confident | 109 Ų | 109 | 82 Ų | 82 | 41% | 0.411 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 126.5 | 174.5 | -175.5 | -177.6 | -172.6 | 175.4 | 1.8 | 108.5 | A134 L135 V147 E161 | A134-R145 CarbonylContact O-C 3.56Å; A134-R145 VanDerWaalsContact O-CA 3.31Å; A134-R145 WeakPolarHBondContact O-CA 3.2Å; L135-R145 HydrophobicContact CD1-CB 4.12Å; L135-R145 HydrophobicContact CD1-CG 4.4Å; R145-V147 HydrophobicContact CG-CG2 4.47Å; R145-E161 HydrophobicContact CB-CB 4.23Å; R145-E161 PolarHBondContact N-O 2.81Å; R145-E161 PolarHBondContact O-N 2.79Å |
| 146 | T | 93.5 | Very high | 86 | Confident | 25 Ų | 25 | 82.8 Ų | 82.8 | 15% | 0.153 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 134 | 176.8 | 69.2 | 0 | 0 | 0 | 0 | 109.8 | H133 A134 Q159 F160 | H133-T146 CarbonylContact C-O 3.55Å; H133-T146 WeakPolarHBondContact CA-O 3.4Å; A134-T146 WeakPolarHBondContact CB-OG1 3.34Å; A134-T146 PolarHBondContact N-O 2.85Å; A134-T146 PolarHBondContact O-N 3.41Å; T146-Q159 CarbonylContact C-O 3.56Å; T146-Q159 VanDerWaalsContact CA-O 3.3Å; T146-Q159 WeakPolarHBondContact CA-O 3.47Å; T146-F160 HydrophobicContact CG2-CD1 3.57Å; T146-F160 HydrophobicContact CG2-CE1 4.02Å |
| 147 | V | 92.8 | Very high | 86 | Confident | 22 Ų | 22 | 80.5 Ų | 80.5 | 13% | 0.133 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 124.4 | 179.3 | -178.2 | 0 | 0 | 0 | 0 | 109.1 | A132 H133 R145 W158 Q159 | A132-V147 CarbonylContact O-C 3.56Å; A132-V147 WeakPolarHBondContact O-CA 3.29Å; H133-V147 WeakPolarHBondContact CE1-CG1 3.23Å; H133-V147 WeakPolarHBondContact ND1-CG1 3.32Å; H133-V147 VanDerWaalsContact ND1-CG2 3.28Å; H133-V147 WeakPolarHBondContact ND1-CG2 3.38Å; R145-V147 HydrophobicContact CG-CG2 4.47Å; V147-W158 CarbonylContact O-C 3.5Å; V147-W158 VanDerWaalsContact O-CA 3.31Å; V147-W158 WeakPolarHBondContact O-CA 3.42Å; V147-Q159 HydrophobicContact CB-CB 4.3Å; V147-Q159 PolarHBondContact N-O 3.3Å; V147-Q159 PolarHBondContact O-N 3.17Å |
| 148 | F | 92.8 | Very high | 86.2 | Confident | 69 Ų | 69 | 83.4 Ų | 83.4 | 30% | 0.303 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 129.6 | 174.1 | -62.5 | -83.3 | 0 | 0 | 0 | 109.3 | N131 A132 W158 F160 | N131-F148 CarbonylContact C-O 3.59Å; N131-F148 WeakPolarHBondContact CA-O 3.47Å; A132-F148 HydrophobicContact CB-CB 4.37Å; A132-F148 PolarHBondContact N-O 2.79Å; A132-F148 PolarHBondContact O-N 2.77Å; F148-W158 HydrophobicContact CD1-CB 3.79Å; F148-W158 HydrophobicContact CE1-CB 3.98Å; F148-F160 HydrophobicContact CE1-CE1 4.31Å; F148-F160 AromaticContact CE1-CZ 3.8Å; F148-F160 HydrophobicContact CE1-CZ 3.8Å; F148-F160 HydrophobicContact CE2-CE1 4.49Å; F148-F160 AromaticContact CZ-CE1 3.68Å; F148-F160 HydrophobicContact CZ-CE1 3.68Å; F148-F160 AromaticContact CZ-CZ 3.64Å; F148-F160 HydrophobicContact CZ-CZ 3.64Å |
| 149 | Q | 91.5 | Very high | 86.8 | Confident | 79 Ų | 79 | 81.8 Ų | 81.8 | 37% | 0.369 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 120.2 | 176.9 | 175.6 | 167 | 20.6 | 0 | 0 | 109.4 | L130 N131 V156 T157 | L130-Q149 CarbonylContact O-C 3.58Å; L130-Q149 WeakPolarHBondContact O-CA 3.29Å; N131-Q149 WeakPolarHBondContact OD1-CG 3.5Å; Q149-V156 PolarHBondContact O-N 2.85Å; Q149-T157 PolarHBondContact N-O 2.87Å; Q149-T157 PolarHBondContact O-N 3.26Å; Q149-T157 VanDerWaalsContact O-N 3.12Å |
| 150 | T | 90.2 | Very high | 87.4 | Confident | 18 Ų | 18 | 81 Ų | 81 | 11% | 0.11 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 146.5 | 169.5 | 74.8 | 0 | 0 | 0 | 0 | 109.3 | S129 L130 Q154 F155 | S129-T150 VanDerWaalsContact CA-O 3.22Å; S129-T150 WeakPolarHBondContact CA-O 3.36Å; S129-T150 VanDerWaalsContact CB-O 3.24Å; S129-T150 WeakPolarHBondContact CB-O 3.43Å; L130-T150 VanDerWaalsContact CB-OG1 3.31Å; L130-T150 WeakPolarHBondContact CB-OG1 3.3Å; L130-T150 PolarHBondContact N-O 2.85Å; L130-T150 PolarHBondContact N-OG1 2.78Å; L130-T150 PolarHBondContact O-N 2.86Å; T150-Q154 CarbonylContact C-O 3.56Å; T150-Q154 WeakPolarHBondContact CA-O 3.14Å; T150-F155 HydrophobicContact CG2-CD1 3.63Å; T150-F155 HydrophobicContact CG2-CE1 3.6Å; T150-F155 HydrophobicContact CG2-CG 4.29Å; T150-F155 HydrophobicContact CG2-CZ 4.23Å |
| 151 | Q | 86.1 | Confident | 88.1 | Confident | 119 Ų | 119 | 74.6 Ų | 74.6 | 56% | 0.556 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 110.3 | 166.8 | -171.3 | 175.5 | 18.2 | 0 | 0 | 106.7 | S153 Q154 V156 | Q151-S153 PolarHBondContact O-N 3.14Å; Q151-Q154 PolarHBondContact N-O 2.84Å; Q151-Q154 PolarHBondContact O-N 3.25Å; Q151-V156 HydrophobicContact CB-CG2 3.46Å; Q151-V156 VanDerWaalsContact CB-CG2 3.46Å |
| 152 | Q | 82.9 | Confident | 88.7 | Confident | 143 Ų | 143 | 71.6 Ų | 71.6 | 67% | 0.668 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | -109.1 | -172.9 | -58.8 | 176 | -15.2 | 0 | 0 | 111.8 | S127 | S127-Q152 WeakPolarHBondContact O-CG 3.14Š|
| 153 | S | 76.1 | Confident | 88.9 | Confident | 119 Ų | 119 | 70.9 Ų | 70.9 | 83% | 0.832 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | -3 | -175.7 | -163 | 0 | 0 | 0 | 0 | 113.7 | Q151 | Q151-S153 PolarHBondContact O-N 3.14Š|
| 154 | Q | 82.4 | Confident | 89.1 | Confident | 150 Ų | 150 | 74 Ų | 74 | 70% | 0.701 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 136.8 | -175.1 | -64.9 | -171.9 | -6.6 | 0 | 0 | 112 | T150 Q151 V156 | T150-Q154 CarbonylContact C-O 3.56Å; T150-Q154 WeakPolarHBondContact CA-O 3.14Å; Q151-Q154 PolarHBondContact N-O 2.84Å; Q151-Q154 PolarHBondContact O-N 3.25Å; Q154-V156 PolarHBondContact O-N 2.78Å |
| 155 | F | 79.2 | Confident | 89 | Confident | 158 Ų | 158 | 76 Ų | 76 | 69% | 0.693 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 113.8 | 167.6 | -71.7 | -88.5 | 0 | 0 | 0 | 108.5 | T150 | T150-F155 HydrophobicContact CG2-CD1 3.63Å; T150-F155 HydrophobicContact CG2-CE1 3.6Å; T150-F155 HydrophobicContact CG2-CG 4.29Å; T150-F155 HydrophobicContact CG2-CZ 4.23Å |
| 156 | V | 84.3 | Confident | 88.8 | Confident | 60 Ų | 60 | 71.1 Ų | 71.1 | 36% | 0.364 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | -45.5 | -177.9 | -179.1 | 0 | 0 | 0 | 0 | 110.1 | Q149 Q151 Q154 N177 | Q149-V156 PolarHBondContact O-N 2.85Å; Q151-V156 HydrophobicContact CB-CG2 3.46Å; Q151-V156 VanDerWaalsContact CB-CG2 3.46Å; Q154-V156 PolarHBondContact O-N 2.78Å; V156-N177 PolarHBondContact O-ND2 3.15Å |
| 157 | T | 86.9 | Confident | 88.4 | Confident | 22 Ų | 22 | 73.3 Ų | 73.3 | 14% | 0.135 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 134.8 | -174.9 | -39.9 | 0 | 0 | 0 | 0 | 111.6 | Q149 Q159 N177 | Q149-T157 PolarHBondContact N-O 2.87Å; Q149-T157 PolarHBondContact O-N 3.26Å; Q149-T157 VanDerWaalsContact O-N 3.12Å; T157-Q159 HydrophobicContact CG2-CG 3.64Å; T157-N177 VanDerWaalsContact CA-OD1 3.23Å; T157-N177 WeakPolarHBondContact CA-OD1 3.28Å; T157-N177 WeakPolarHBondContact CG2-OD1 3.38Å |
| 158 | W | 89.8 | Confident | 88.2 | Confident | 107 Ų | 107 | 74.6 Ų | 74.6 | 41% | 0.405 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 117.1 | 171.1 | 53.6 | -36.1 | 0 | 0 | 0 | 107.7 | V147 F148 F160 N177 P178 | V147-W158 CarbonylContact O-C 3.5Å; V147-W158 VanDerWaalsContact O-CA 3.31Å; V147-W158 WeakPolarHBondContact O-CA 3.42Å; F148-W158 HydrophobicContact CD1-CB 3.79Å; F148-W158 HydrophobicContact CE1-CB 3.98Å; W158-F160 HydrophobicContact CD2-CE2 4.38Å; W158-F160 AromaticContact CE3-CE2 3.82Å; W158-F160 HydrophobicContact CE3-CE2 3.82Å; W158-F160 HydrophobicContact CE3-CZ 4.16Å; W158-N177 PolarHBondContact N-OD1 2.8Å; W158-N177 PolarHBondContact O-N 3.34Å; W158-N177 PolarHBondContact O-OD1 3.04Å; W158-P178 HydrophobicContact CH2-CG 4.44Å; W158-P178 HydrophobicContact CZ2-CG 4.15Å; W158-P178 WeakPolarHBondContact CZ2-O 3.41Å |
| 159 | Q | 93.2 | Very high | 88.1 | Confident | 73 Ų | 73 | 74 Ų | 74 | 34% | 0.341 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 134 | -174.1 | -51.2 | -174 | -18.6 | 0 | 0 | 109.8 | T146 V147 T157 T174 V175 A176 | T146-Q159 CarbonylContact C-O 3.56Å; T146-Q159 VanDerWaalsContact CA-O 3.3Å; T146-Q159 WeakPolarHBondContact CA-O 3.47Å; V147-Q159 HydrophobicContact CB-CB 4.3Å; V147-Q159 PolarHBondContact N-O 3.3Å; V147-Q159 PolarHBondContact O-N 3.17Å; T157-Q159 HydrophobicContact CG2-CG 3.64Å; Q159-T174 HydrophobicContact CB-CG2 4.49Å; Q159-V175 CarbonylContact C-O 3.44Å; Q159-V175 VanDerWaalsContact CA-O 3.31Å; Q159-V175 WeakPolarHBondContact CA-O 3.38Å; Q159-A176 HydrophobicContact CB-CB 4.47Å; Q159-A176 HydrophobicContact CG-CB 3.86Å |
| 160 | F | 94.4 | Very high | 88.2 | Confident | 74 Ų | 74 | 70.5 Ų | 70.5 | 33% | 0.325 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 109.1 | 176.3 | -59.1 | -84.6 | 0 | 0 | 0 | 108 | T146 F148 W158 T174 V175 | T146-F160 HydrophobicContact CG2-CD1 3.57Å; T146-F160 HydrophobicContact CG2-CE1 4.02Å; F148-F160 HydrophobicContact CE1-CE1 4.31Å; F148-F160 AromaticContact CE1-CZ 3.8Å; F148-F160 HydrophobicContact CE1-CZ 3.8Å; F148-F160 HydrophobicContact CE2-CE1 4.49Å; F148-F160 AromaticContact CZ-CE1 3.68Å; F148-F160 HydrophobicContact CZ-CE1 3.68Å; F148-F160 AromaticContact CZ-CZ 3.64Å; F148-F160 HydrophobicContact CZ-CZ 3.64Å; W158-F160 HydrophobicContact CD2-CE2 4.38Å; W158-F160 AromaticContact CE3-CE2 3.82Å; W158-F160 HydrophobicContact CE3-CE2 3.82Å; W158-F160 HydrophobicContact CE3-CZ 4.16Å; F160-T174 CarbonylContact O-C 3.54Å; F160-T174 WeakPolarHBondContact O-CA 3.36Å; F160-V175 PolarHBondContact N-O 2.89Å; F160-V175 PolarHBondContact O-N 3.18Å |
| 161 | E | 94 | Very high | 88.4 | Confident | 25 Ų | 25 | 71 Ų | 71 | 12% | 0.117 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 131.4 | 177.3 | 175.7 | 177.9 | -166.5 | 0 | 0 | 109 | A144 R145 V173 T174 | A144-E161 CarbonylContact C-O 3.6Å; A144-E161 WeakPolarHBondContact CA-O 3.46Å; R145-E161 HydrophobicContact CB-CB 4.23Å; R145-E161 PolarHBondContact N-O 2.81Å; R145-E161 PolarHBondContact O-N 2.79Å; E161-V173 CarbonylContact C-O 3.58Å; E161-V173 WeakPolarHBondContact CA-O 3.25Å; E161-T174 HydrophobicContact CB-CG2 4.2Å; E161-T174 WeakPolarHBondContact CB-OG1 3.25Å; E161-T174 WeakPolarHBondContact CG-OG1 3.28Å |
| 162 | T | 94.1 | Very high | 88.8 | Confident | 69 Ų | 69 | 65.7 Ų | 65.7 | 42% | 0.423 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 117.2 | 171.6 | -56 | 0 | 0 | 0 | 0 | 108.5 | V142 R143 A172 V173 | V142-T162 HydrophobicContact CG1-CG2 4.05Å; R143-T162 CarbonylContact O-C 3.57Å; R143-T162 WeakPolarHBondContact O-CA 3.32Å; T162-A172 CarbonylContact O-C 3.45Å; T162-A172 VanDerWaalsContact O-CA 3.29Å; T162-A172 WeakPolarHBondContact O-CA 3.43Å; T162-V173 PolarHBondContact N-O 2.9Å; T162-V173 PolarHBondContact O-N 3.21Å |
| 163 | E | 92.8 | Very high | 89.5 | Confident | 17 Ų | 17 | 62.5 Ų | 62.5 | 8% | 0.079 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 125.1 | -178.8 | -174.2 | -175.4 | -169.7 | 0 | 0 | 109.9 | S52 V142 R143 R165 T170 A171 A172 | S52-E163 WeakPolarHBondContact CB-OE1 3.44Å; V142-E163 WeakPolarHBondContact CA-O 3.41Å; R143-E163 HydrophobicContact CB-CB 4.44Å; R143-E163 PolarHBondContact N-O 3.07Å; R143-E163 PolarHBondContact O-N 2.99Å; E163-R165 HydrophobicContact CG-CG 4.17Å; E163-R165 IonicContact OE1-CZ 3.99Å; E163-R165 IonicContact OE1-NE 3.33Å; E163-R165 PolarHBondContact OE1-NE 2.85Å; E163-R165 IonicContact OE1-NH2 3.76Å; E163-R165 PolarHBondContact OE1-NH2 3.41Å; E163-R165 IonicContact OE2-CZ 3.02Å; E163-R165 IonicContact OE2-NE 2.65Å; E163-R165 PolarHBondContact OE2-NE 3.26Å; E163-R165 IonicContact OE2-NH2 3.04Å; E163-R165 PolarHBondContact OE2-NH2 2.65Å; E163-T170 HydrophobicContact CG-CG2 3.88Å; E163-T170 WeakPolarHBondContact OE1-CG2 3.37Å; E163-A171 CarbonylContact C-O 3.52Å; E163-A171 WeakPolarHBondContact CA-O 3.45Å; E163-A172 HydrophobicContact CB-CB 4.25Å; E163-A172 HydrophobicContact CG-CB 4.25Å |
| 164 | Y | 92.1 | Very high | 90.4 | Very high | 84 Ų | 84 | 57.4 Ų | 57.4 | 33% | 0.329 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 116.1 | 170.7 | -177.9 | -86.6 | 0 | 0 | 0 | 109.6 | R141 V142 F169 T170 A171 | R141-Y164 HydrophobicContact CB-CE2 4.2Å; R141-Y164 CarbonylContact O-C 3.55Å; R141-Y164 WeakPolarHBondContact O-CA 3.43Å; V142-Y164 HydrophobicContact CG2-CD2 3.84Å; V142-Y164 HydrophobicContact CG2-CE2 4.33Å; Y164-F169 AromaticContact CD1-CE2 3.62Å; Y164-F169 HydrophobicContact CD1-CE2 3.62Å; Y164-F169 AromaticContact CD1-CZ 3.92Å; Y164-F169 HydrophobicContact CD1-CZ 3.92Å; Y164-F169 HydrophobicContact CE1-CE1 4.41Å; Y164-F169 AromaticContact CE1-CE2 3.7Å; Y164-F169 HydrophobicContact CE1-CE2 3.7Å; Y164-F169 AromaticContact CE1-CZ 3.47Å; Y164-F169 HydrophobicContact CE1-CZ 3.47Å; Y164-F169 VanDerWaalsContact CE1-CZ 3.47Å; Y164-T170 WeakPolarHBondContact O-CA 3.43Å; Y164-A171 PolarHBondContact N-O 3.3Å; Y164-A171 PolarHBondContact O-N 3.31Å |
| 165 | R | 89.2 | Confident | 90.9 | Very high | 53 Ų | 53 | 52.2 Ų | 52.2 | 20% | 0.2 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 105.2 | 175.9 | -68.4 | -168.7 | -175.7 | 163.7 | 14.8 | 110.4 | D116 R141 E163 T170 | D116-R165 IonicContact OD2-NH1 3.91Å; D116-R165 PolarHBondContact OD2-NH1 3.11Å; R141-R165 WeakPolarHBondContact CB-O 3.26Å; R141-R165 PolarHBondContact O-N 3.04Å; E163-R165 HydrophobicContact CG-CG 4.17Å; E163-R165 IonicContact OE1-CZ 3.99Å; E163-R165 IonicContact OE1-NE 3.33Å; E163-R165 PolarHBondContact OE1-NE 2.85Å; E163-R165 IonicContact OE1-NH2 3.76Å; E163-R165 PolarHBondContact OE1-NH2 3.41Å; E163-R165 IonicContact OE2-CZ 3.02Å; E163-R165 IonicContact OE2-NE 2.65Å; E163-R165 PolarHBondContact OE2-NE 3.26Å; E163-R165 IonicContact OE2-NH2 3.04Å; E163-R165 PolarHBondContact OE2-NH2 2.65Å; R165-T170 HydrophobicContact CG-CG2 4.09Å |
| 166 | G | 87 | Confident | 91.6 | Very high | 8 Ų | 8 | 45 Ų | 45 | 8% | 0.082 | 24% | 0.237 | C | C | . | . | trans | -79.6 | -172.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | N49 F169 | N49-G166 PolarHBondContact ND2-O 2.95Å; G166-F169 VanDerWaalsContact CA-O 3.28Å; G166-F169 WeakPolarHBondContact CA-O 3.19Å; G166-F169 PolarHBondContact N-O 3.12Å | ||
| 167 | S | 85.6 | Confident | 91.8 | Very high | 70 Ų | 70 | 44.5 Ų | 44.5 | 49% | 0.49 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -69.8 | -41.9 | 174.4 | 36.3 | 0 | 0 | 0 | 0 | 112.8 | P48 N49 | P48-S167 CarbonylContact C-O 3.56Å; N49-S167 WeakPolarHBondContact CA-O 3.43Å; N49-S167 PolarHBondContact N-O 2.8Å; N49-S167 VanDerWaalsContact N-O 3.14Å |
| 168 | D | 88.6 | Confident | 91.8 | Very high | 49 Ų | 49 | 45.1 Ų | 45.1 | 26% | 0.262 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -128.4 | -6.2 | -167 | 56.8 | -37.7 | 0 | 0 | 0 | 112.4 | L47 S194 | L47-D168 HydrophobicContact CB-CB 4.27Å; D168-S194 PolarHBondContact O-N 2.83Å |
| 169 | F | 90.8 | Very high | 91.6 | Very high | 57 Ų | 57 | 42.3 Ų | 42.3 | 25% | 0.25 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 159.4 | 177.1 | 74.3 | -86.9 | 0 | 0 | 0 | 112 | Y164 G166 F191 L192 Q193 | Y164-F169 AromaticContact CD1-CE2 3.62Å; Y164-F169 HydrophobicContact CD1-CE2 3.62Å; Y164-F169 AromaticContact CD1-CZ 3.92Å; Y164-F169 HydrophobicContact CD1-CZ 3.92Å; Y164-F169 HydrophobicContact CE1-CE1 4.41Å; Y164-F169 AromaticContact CE1-CE2 3.7Å; Y164-F169 HydrophobicContact CE1-CE2 3.7Å; Y164-F169 AromaticContact CE1-CZ 3.47Å; Y164-F169 HydrophobicContact CE1-CZ 3.47Å; Y164-F169 VanDerWaalsContact CE1-CZ 3.47Å; G166-F169 VanDerWaalsContact CA-O 3.28Å; G166-F169 WeakPolarHBondContact CA-O 3.19Å; G166-F169 PolarHBondContact N-O 3.12Å; F169-F191 HydrophobicContact CB-CE2 4.24Å; F169-F191 HydrophobicContact CB-CZ 4.09Å; F169-F191 AromaticContact CD2-CE2 3.67Å; F169-F191 HydrophobicContact CD2-CE2 3.67Å; F169-F191 HydrophobicContact CD2-CZ 4.28Å; F169-F191 HydrophobicContact CE2-CE2 4.36Å; F169-F191 HydrophobicContact CG-CE2 4.2Å; F169-F191 HydrophobicContact CG-CZ 4.36Å; F169-L192 CarbonylContact C-O 3.55Å; F169-L192 WeakPolarHBondContact CA-O 3.07Å; F169-L192 VanDerWaalsContact CB-O 3.32Å; F169-L192 WeakPolarHBondContact CB-O 3.45Å; F169-Q193 HydrophobicContact CB-CB 4.29Å; F169-Q193 HydrophobicContact CB-CG 4.32Å |
| 170 | T | 93 | Very high | 91.1 | Very high | 5 Ų | 5 | 46.5 Ų | 46.5 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 128.6 | 172.2 | -61.5 | 0 | 0 | 0 | 0 | 108.5 | N49 G51 E163 Y164 R165 L192 | N49-T170 PolarHBondContact ND2-OG1 2.82Å; N49-T170 PolarHBondContact OD1-OG1 2.82Å; G51-T170 VanDerWaalsContact O-CB 3.26Å; G51-T170 WeakPolarHBondContact O-CB 3.43Å; G51-T170 WeakPolarHBondContact O-CG2 3.17Å; G51-T170 PolarHBondContact O-OG1 3.09Å; G51-T170 VanDerWaalsContact O-OG1 3.07Å; E163-T170 HydrophobicContact CG-CG2 3.88Å; E163-T170 WeakPolarHBondContact OE1-CG2 3.37Å; Y164-T170 WeakPolarHBondContact O-CA 3.43Å; R165-T170 HydrophobicContact CG-CG2 4.09Å; T170-L192 PolarHBondContact N-O 3Å; T170-L192 PolarHBondContact O-N 2.91Å |
| 171 | A | 94.8 | Very high | 90.5 | Very high | 29 Ų | 29 | 50.9 Ų | 50.9 | 24% | 0.24 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 137.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109 | E163 Y164 H190 F191 | E163-A171 CarbonylContact C-O 3.52Å; E163-A171 WeakPolarHBondContact CA-O 3.45Å; Y164-A171 PolarHBondContact N-O 3.3Å; Y164-A171 PolarHBondContact O-N 3.31Å; A171-H190 CarbonylContact C-O 3.42Å; A171-H190 WeakPolarHBondContact CA-O 3.41Å; A171-F191 HydrophobicContact CB-CD2 4.01Å |
| 172 | A | 94.6 | Very high | 89.8 | Confident | 7 Ų | 7 | 58 Ų | 58 | 6% | 0.058 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 141.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | T162 E163 A189 H190 | T162-A172 CarbonylContact O-C 3.45Å; T162-A172 VanDerWaalsContact O-CA 3.29Å; T162-A172 WeakPolarHBondContact O-CA 3.43Å; E163-A172 HydrophobicContact CB-CB 4.25Å; E163-A172 HydrophobicContact CG-CB 4.25Å; A172-A189 CarbonylContact O-C 3.48Å; A172-A189 WeakPolarHBondContact O-CA 3.31Å; A172-H190 HydrophobicContact CB-CB 4.38Å; A172-H190 PolarHBondContact N-O 2.82Å; A172-H190 PolarHBondContact O-N 2.78Å |
| 173 | V | 96.1 | Very high | 89.4 | Confident | 76 Ų | 76 | 60.5 Ų | 60.5 | 46% | 0.461 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 123.8 | 174.1 | 179.2 | 0 | 0 | 0 | 0 | 108.5 | E161 T162 V188 | E161-V173 CarbonylContact C-O 3.58Å; E161-V173 WeakPolarHBondContact CA-O 3.25Å; T162-V173 PolarHBondContact N-O 2.9Å; T162-V173 PolarHBondContact O-N 3.21Å; V173-V188 CarbonylContact C-O 3.5Å; V173-V188 WeakPolarHBondContact CA-O 3.26Å |
| 174 | T | 94.9 | Very high | 89 | Confident | 12 Ų | 12 | 61.4 Ų | 61.4 | 7% | 0.074 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 123.2 | 178.5 | -55.7 | 0 | 0 | 0 | 0 | 109.7 | Q159 F160 E161 L187 V188 | Q159-T174 HydrophobicContact CB-CG2 4.49Å; F160-T174 CarbonylContact O-C 3.54Å; F160-T174 WeakPolarHBondContact O-CA 3.36Å; E161-T174 HydrophobicContact CB-CG2 4.2Å; E161-T174 WeakPolarHBondContact CB-OG1 3.25Å; E161-T174 WeakPolarHBondContact CG-OG1 3.28Å; T174-L187 CarbonylContact O-C 3.59Å; T174-L187 WeakPolarHBondContact O-CA 3.3Å; T174-V188 PolarHBondContact N-O 3.16Å; T174-V188 PolarHBondContact O-N 2.78Å |
| 175 | V | 94.8 | Very high | 88.9 | Confident | 42 Ų | 42 | 59 Ų | 59 | 26% | 0.255 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 119.7 | 170.7 | -172.7 | 0 | 0 | 0 | 0 | 107.4 | Q159 F160 P178 V185 L187 | Q159-V175 CarbonylContact C-O 3.44Å; Q159-V175 VanDerWaalsContact CA-O 3.31Å; Q159-V175 WeakPolarHBondContact CA-O 3.38Å; F160-V175 PolarHBondContact N-O 2.89Å; F160-V175 PolarHBondContact O-N 3.18Å; V175-P178 HydrophobicContact CG1-CB 4.15Å; V175-P178 HydrophobicContact CG1-CG 4.13Å; V175-V185 HydrophobicContact CG1-CG2 3.96Å; V175-L187 HydrophobicContact CB-CD2 4.16Å; V175-L187 HydrophobicContact CG1-CD2 3.97Å; V175-L187 HydrophobicContact CG2-CD2 3.66Å |
| 176 | A | 92.1 | Very high | 89 | Confident | 6 Ų | 6 | 59.7 Ų | 59.7 | 5% | 0.05 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 133.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q159 I186 | Q159-A176 HydrophobicContact CB-CB 4.47Å; Q159-A176 HydrophobicContact CG-CB 3.86Å; A176-I186 HydrophobicContact CB-CB 4.14Å; A176-I186 HydrophobicContact CB-CG2 4.47Å; A176-I186 PolarHBondContact N-O 3.38Å; A176-I186 PolarHBondContact O-N 2.83Å |
| 177 | N | 89.9 | Confident | 89.4 | Confident | 50 Ų | 50 | 62.3 Ų | 62.3 | 27% | 0.267 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 49.9 | 52.9 | 175.3 | -61.8 | -5.7 | 0 | 0 | 0 | 115.1 | V156 T157 W158 D179 | V156-N177 PolarHBondContact O-ND2 3.15Å; T157-N177 VanDerWaalsContact CA-OD1 3.23Å; T157-N177 WeakPolarHBondContact CA-OD1 3.28Å; T157-N177 WeakPolarHBondContact CG2-OD1 3.38Å; W158-N177 PolarHBondContact N-OD1 2.8Å; W158-N177 PolarHBondContact O-N 3.34Å; W158-N177 PolarHBondContact O-OD1 3.04Å; N177-D179 PolarHBondContact O-N 2.98Å |
| 178 | P | 86.5 | Confident | 89.8 | Confident | 34 Ų | 34 | 60 Ų | 60 | 22% | 0.221 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 114.9 | 176.6 | 30.4 | -33.7 | 0 | 0 | 0 | 110.7 | W158 V175 V185 | W158-P178 HydrophobicContact CH2-CG 4.44Å; W158-P178 HydrophobicContact CZ2-CG 4.15Å; W158-P178 WeakPolarHBondContact CZ2-O 3.41Å; V175-P178 HydrophobicContact CG1-CB 4.15Å; V175-P178 HydrophobicContact CG1-CG 4.13Å; P178-V185 HydrophobicContact CB-CG2 4.18Å |
| 179 | D | 84.9 | Confident | 90.1 | Very high | 49 Ų | 49 | 59.6 Ų | 59.6 | 26% | 0.262 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 106.7 | 172.9 | -171.9 | -18.8 | 0 | 0 | 0 | 109.5 | N177 L181 R182 E183 S184 | N177-D179 PolarHBondContact O-N 2.98Å; D179-L181 VanDerWaalsContact C-N 3.29Å; D179-L181 PolarHBondContact O-N 2.87Å; D179-L181 WeakPolarHBondContact OD1-CB 3.35Å; D179-L181 PolarHBondContact OD1-N 3.46Å; D179-R182 HydrophobicContact CB-CB 4.17Å; D179-R182 PolarHBondContact OD1-N 2.98Å; D179-R182 VanDerWaalsContact OD1-N 3.15Å; D179-R182 WeakPolarHBondContact OD2-CD 3.36Å; D179-R182 WeakPolarHBondContact OD2-CG 3.39Å; D179-R182 IonicContact OD2-NE 3.13Å; D179-E183 WeakPolarHBondContact O-CA 3.36Å; D179-E183 PolarHBondContact O-N 2.87Å; D179-S184 WeakPolarHBondContact CB-OG 3.49Å; D179-S184 PolarHBondContact N-O 2.77Å; D179-S184 PolarHBondContact O-N 2.84Å; D179-S184 VanDerWaalsContact O-N 3.07Å |
| 180 | I | 82.6 | Confident | 90.3 | Very high | 160 Ų | 160 | 57.4 Ų | 57.4 | 82% | 0.821 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -33.8 | -179.2 | -58.3 | 171.8 | 0 | 0 | 0 | 110.8 | ||
| 181 | L | 83.1 | Confident | 90.4 | Very high | 167 Ų | 167 | 61.6 Ų | 61.6 | 87% | 0.874 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -34 | -177 | -64.5 | 173.4 | 0 | 0 | 0 | 111.8 | D179 | D179-L181 VanDerWaalsContact C-N 3.29Å; D179-L181 PolarHBondContact O-N 2.87Å; D179-L181 WeakPolarHBondContact OD1-CB 3.35Å; D179-L181 PolarHBondContact OD1-N 3.46Å |
| 182 | R | 79.3 | Confident | 90.4 | Very high | 174 Ų | 174 | 60.3 Ų | 60.3 | 66% | 0.657 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | 0.9 | 178.8 | -62.6 | -175.3 | -178.9 | 171.1 | -1.5 | 113.5 | D179 S184 | D179-R182 HydrophobicContact CB-CB 4.17Å; D179-R182 PolarHBondContact OD1-N 2.98Å; D179-R182 VanDerWaalsContact OD1-N 3.15Å; D179-R182 WeakPolarHBondContact OD2-CD 3.36Å; D179-R182 WeakPolarHBondContact OD2-CG 3.39Å; D179-R182 IonicContact OD2-NE 3.13Å; R182-S184 PolarHBondContact O-N 3.3Å |
| 183 | E | 84.8 | Confident | 90.4 | Very high | 122 Ų | 122 | 63.9 Ų | 63.9 | 57% | 0.57 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.3 | 38 | -172.7 | -62.1 | -171.3 | -172.5 | 0 | 0 | 113.1 | D179 R209 | D179-E183 WeakPolarHBondContact O-CA 3.36Å; D179-E183 PolarHBondContact O-N 2.87Å; E183-R209 IonicContact OE2-NH2 3.24Å; E183-R209 PolarHBondContact OE2-NH2 2.8Å; E183-R209 VanDerWaalsContact OE2-NH2 3.13Å |
| 184 | S | 84.9 | Confident | 90.2 | Very high | 36 Ų | 36 | 60.4 Ų | 60.4 | 25% | 0.252 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 131.4 | -179.9 | 67.7 | 0 | 0 | 0 | 0 | 111.4 | D179 R182 R209 | D179-S184 WeakPolarHBondContact CB-OG 3.49Å; D179-S184 PolarHBondContact N-O 2.77Å; D179-S184 PolarHBondContact O-N 2.84Å; D179-S184 VanDerWaalsContact O-N 3.07Å; R182-S184 PolarHBondContact O-N 3.3Å; S184-R209 CarbonylContact C-O 3.55Å; S184-R209 WeakPolarHBondContact CA-O 3.32Å |
| 185 | V | 89.8 | Confident | 90 | Very high | 33 Ų | 33 | 63.8 Ų | 63.8 | 20% | 0.2 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 143.4 | 175.3 | 66.5 | 0 | 0 | 0 | 0 | 110.3 | V175 P178 L187 R209 | V175-V185 HydrophobicContact CG1-CG2 3.96Å; P178-V185 HydrophobicContact CB-CG2 4.18Å; V185-L187 HydrophobicContact CG1-CG 4.46Å; V185-L187 HydrophobicContact CG2-CD2 4.02Å; V185-L187 HydrophobicContact CG2-CG 4.06Å; V185-R209 HydrophobicContact CG1-CB 4.36Å; V185-R209 PolarHBondContact N-O 2.79Å; V185-R209 PolarHBondContact O-N 2.87Å |
| 186 | I | 91.8 | Very high | 89.8 | Confident | 67 Ų | 67 | 63.8 Ų | 63.8 | 34% | 0.344 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 120.9 | 167.2 | -59.3 | 167.7 | 0 | 0 | 0 | 107 | A176 V188 Y207 H208 | A176-I186 HydrophobicContact CB-CB 4.14Å; A176-I186 HydrophobicContact CB-CG2 4.47Å; A176-I186 PolarHBondContact N-O 3.38Å; A176-I186 PolarHBondContact O-N 2.83Å; I186-V188 HydrophobicContact CG2-CG2 4.14Å; I186-Y207 WeakPolarHBondContact CA-O 3.38Å; I186-H208 HydrophobicContact CG1-CB 4.14Å |
| 187 | L | 93.9 | Very high | 89.3 | Confident | 63 Ų | 63 | 65.3 Ų | 65.3 | 33% | 0.33 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 126.1 | 173.9 | -64.7 | 174.9 | 0 | 0 | 0 | 108 | T174 V175 V185 Y207 | T174-L187 CarbonylContact O-C 3.59Å; T174-L187 WeakPolarHBondContact O-CA 3.3Å; V175-L187 HydrophobicContact CB-CD2 4.16Å; V175-L187 HydrophobicContact CG1-CD2 3.97Å; V175-L187 HydrophobicContact CG2-CD2 3.66Å; V185-L187 HydrophobicContact CG1-CG 4.46Å; V185-L187 HydrophobicContact CG2-CD2 4.02Å; V185-L187 HydrophobicContact CG2-CG 4.06Å; L187-Y207 HydrophobicContact CB-CD1 4.44Å; L187-Y207 HydrophobicContact CD1-CD1 4.18Å; L187-Y207 PolarHBondContact N-O 2.96Å; L187-Y207 PolarHBondContact O-N 2.79Å; L187-Y207 VanDerWaalsContact O-O 3.14Å |
| 188 | V | 94.9 | Very high | 89.1 | Confident | 21 Ų | 21 | 63.3 Ų | 63.3 | 13% | 0.127 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 124 | 172.5 | -168.9 | 0 | 0 | 0 | 0 | 108.1 | V173 T174 I186 H190 E204 L205 V206 | V173-V188 CarbonylContact C-O 3.5Å; V173-V188 WeakPolarHBondContact CA-O 3.26Å; T174-V188 PolarHBondContact N-O 3.16Å; T174-V188 PolarHBondContact O-N 2.78Å; I186-V188 HydrophobicContact CG2-CG2 4.14Å; V188-H190 WeakPolarHBondContact CG1-CE1 3.31Å; V188-H190 WeakPolarHBondContact CG1-NE2 3.39Å; V188-E204 HydrophobicContact CG1-CG 3.83Å; V188-E204 WeakPolarHBondContact CG1-OE1 3.13Å; V188-L205 CarbonylContact C-O 3.58Å; V188-L205 WeakPolarHBondContact CA-O 3.4Å; V188-V206 HydrophobicContact CG1-CG2 3.99Å; V188-V206 HydrophobicContact CG2-CG1 4.32Å; V188-V206 HydrophobicContact CG2-CG2 4.29Å |
| 189 | A | 95.6 | Very high | 89.4 | Confident | 41 Ų | 41 | 64.2 Ų | 64.2 | 34% | 0.339 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 125.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | A172 E204 L205 | A172-A189 CarbonylContact O-C 3.48Å; A172-A189 WeakPolarHBondContact O-CA 3.31Å; A189-E204 CarbonylContact O-C 3.56Å; A189-E204 WeakPolarHBondContact O-CA 3.47Å; A189-L205 PolarHBondContact N-O 3Å; A189-L205 PolarHBondContact O-N 3.36Å |
| 190 | H | 94.9 | Very high | 89.8 | Confident | 12 Ų | 12 | 62.5 Ų | 62.5 | 6% | 0.056 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 141.5 | 176.6 | -49.4 | -91.8 | 0 | 0 | 0 | 109.9 | F53 A171 A172 V188 G203 E204 | F53-H190 HydrophobicContact CB-CB 3.93Å; F53-H190 AromaticContact CD1-CE1 3.66Å; F53-H190 AromaticContact CD1-ND1 3.29Å; F53-H190 VanDerWaalsContact CD1-ND1 3.29Å; F53-H190 WeakPolarHBondContact CD1-ND1 3.32Å; F53-H190 HydrophobicContact CD2-CB 4.26Å; F53-H190 AromaticContact CD2-ND1 3.91Å; F53-H190 AromaticContact CE1-ND1 3.76Å; F53-H190 HydrophobicContact CG-CB 4.14Å; F53-H190 AromaticContact CG-CG 3.98Å; F53-H190 AromaticContact CG-ND1 3.37Å; F53-H190 WeakPolarHBondContact CG-ND1 3.27Å; A171-H190 CarbonylContact C-O 3.42Å; A171-H190 WeakPolarHBondContact CA-O 3.41Å; A172-H190 HydrophobicContact CB-CB 4.38Å; A172-H190 PolarHBondContact N-O 2.82Å; A172-H190 PolarHBondContact O-N 2.78Å; V188-H190 WeakPolarHBondContact CG1-CE1 3.31Å; V188-H190 WeakPolarHBondContact CG1-NE2 3.39Å; H190-G203 WeakPolarHBondContact CA-O 3.42Å; H190-E204 VanDerWaalsContact CE1-CD 3.44Å; H190-E204 IonicContact CE1-OE1 2.67Å; H190-E204 PolarHBondContact CE1-OE1 3.02Å; H190-E204 WeakPolarHBondContact ND1-CG 3.46Å; H190-E204 IonicContact ND1-OE1 3.78Å |
| 191 | F | 95.3 | Very high | 90.5 | Very high | 92 Ų | 92 | 58.7 Ų | 58.7 | 40% | 0.404 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 127.1 | 171.1 | -175.3 | -97.5 | 0 | 0 | 0 | 109.2 | F169 A171 Q193 G202 G203 | F169-F191 HydrophobicContact CB-CE2 4.24Å; F169-F191 HydrophobicContact CB-CZ 4.09Å; F169-F191 AromaticContact CD2-CE2 3.67Å; F169-F191 HydrophobicContact CD2-CE2 3.67Å; F169-F191 HydrophobicContact CD2-CZ 4.28Å; F169-F191 HydrophobicContact CE2-CE2 4.36Å; F169-F191 HydrophobicContact CG-CE2 4.2Å; F169-F191 HydrophobicContact CG-CZ 4.36Å; A171-F191 HydrophobicContact CB-CD2 4.01Å; F191-Q193 HydrophobicContact CE1-CB 3.94Å; F191-Q193 HydrophobicContact CZ-CB 4.39Å; F191-G202 CarbonylContact O-C 3.55Å; F191-G202 WeakPolarHBondContact O-CA 3.35Å; F191-G203 PolarHBondContact N-O 3.26Å; F191-G203 PolarHBondContact O-N 2.91Å |
| 192 | L | 94.6 | Very high | 91 | Very high | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.016 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 138.6 | 174.8 | -74.7 | 169.5 | 0 | 0 | 0 | 109.7 | P50 F53 L56 F169 T170 V200 A221 | P50-L192 HydrophobicContact CB-CB 4.32Å; P50-L192 HydrophobicContact CG-CB 3.95Å; F53-L192 HydrophobicContact CB-CD1 4Å; F53-L192 HydrophobicContact CD2-CD1 4Å; F53-L192 HydrophobicContact CD2-CD2 4.17Å; F53-L192 HydrophobicContact CD2-CG 4.03Å; F53-L192 HydrophobicContact CG-CD1 4.44Å; L56-L192 HydrophobicContact CD1-CD1 4.24Å; L56-L192 HydrophobicContact CD1-CD2 4.17Å; L56-L192 HydrophobicContact CD2-CD1 4.2Å; L56-L192 HydrophobicContact CD2-CD2 4.42Å; L56-L192 HydrophobicContact CG-CD1 4.29Å; F169-L192 CarbonylContact C-O 3.55Å; F169-L192 WeakPolarHBondContact CA-O 3.07Å; F169-L192 VanDerWaalsContact CB-O 3.32Å; F169-L192 WeakPolarHBondContact CB-O 3.45Å; T170-L192 PolarHBondContact N-O 3Å; T170-L192 PolarHBondContact O-N 2.91Å; L192-V200 HydrophobicContact CB-CG1 4.21Å; L192-V200 HydrophobicContact CD2-CG1 3.9Å; L192-A221 HydrophobicContact CD2-CB 4.4Å |
| 193 | Q | 93.6 | Very high | 91.8 | Very high | 81 Ų | 81 | 44.1 Ų | 44.1 | 38% | 0.379 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 132.2 | 178.2 | -174.1 | 173.9 | 4.5 | 0 | 0 | 110.1 | F169 F191 V195 V200 L201 | F169-Q193 HydrophobicContact CB-CB 4.29Å; F169-Q193 HydrophobicContact CB-CG 4.32Å; F191-Q193 HydrophobicContact CE1-CB 3.94Å; F191-Q193 HydrophobicContact CZ-CB 4.39Å; Q193-V195 PolarHBondContact O-N 2.59Å; Q193-V200 WeakPolarHBondContact O-CA 3.26Å; Q193-L201 PolarHBondContact N-O 3.46Å; Q193-L201 PolarHBondContact O-N 3.11Å |
| 194 | S | 92.7 | Very high | 92.3 | Very high | 3 Ų | 3 | 40.2 Ų | 40.2 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 116 | 167.5 | -174.9 | 0 | 0 | 0 | 0 | 108.4 | L47 P48 D168 S196 | L47-S194 VanDerWaalsContact CD1-O 3.23Å; L47-S194 WeakPolarHBondContact CD1-O 3.35Å; P48-S194 WeakPolarHBondContact O-CB 3.44Å; D168-S194 PolarHBondContact O-N 2.83Å; S194-S196 PolarHBondContact OG-O 2.91Å; S194-S196 VanDerWaalsContact OG-O 3.06Å |
| 195 | V | 90.8 | Very high | 92.8 | Very high | 83 Ų | 83 | 42.6 Ų | 42.6 | 50% | 0.503 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | -33.2 | 177.9 | 179.3 | 0 | 0 | 0 | 0 | 110.4 | Q193 L199 L201 | Q193-V195 PolarHBondContact O-N 2.59Å; V195-L199 PolarHBondContact N-O 3.16Å; V195-L201 HydrophobicContact CG2-CB 4.2Å; V195-L201 HydrophobicContact CG2-CD1 4.11Å; V195-L201 HydrophobicContact CG2-CG 4.19Å |
| 196 | S | 88.9 | Confident | 93 | Very high | 43 Ų | 43 | 42.6 Ų | 42.6 | 30% | 0.301 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 171.5 | 173 | 82 | 0 | 0 | 0 | 0 | 110.3 | S194 G198 L199 | S194-S196 PolarHBondContact OG-O 2.91Å; S194-S196 VanDerWaalsContact OG-O 3.06Å; S196-G198 PolarHBondContact O-N 3.11Å; S196-G198 PolarHBondContact OG-N 3.06Å; S196-L199 PolarHBondContact N-O 3.08Å; S196-L199 VanDerWaalsContact N-O 3.16Å; S196-L199 PolarHBondContact O-N 3.13Å; S196-L199 VanDerWaalsContact O-N 3.13Å; S196-L199 WeakPolarHBondContact OG-CB 3.38Å; S196-L199 PolarHBondContact OG-N 3.14Å; S196-L199 VanDerWaalsContact OG-N 3.11Å |
| 197 | S | 83.4 | Confident | 93 | Very high | 37 Ų | 37 | 42.3 Ų | 42.3 | 26% | 0.259 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -44.7 | -34.1 | 174.7 | 34.8 | 0 | 0 | 0 | 0 | 115.6 | W40 | W40-S197 VanDerWaalsContact CZ2-CB 3.47Š|
| 198 | G | 85.9 | Confident | 92.9 | Very high | 9 Ų | 9 | 42.4 Ų | 42.4 | 9% | 0.093 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.7 | 4.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | S196 Y224 S225 | S196-G198 PolarHBondContact O-N 3.11Å; S196-G198 PolarHBondContact OG-N 3.06Å; G198-Y224 CarbonylContact O-C 3.51Å; G198-Y224 WeakPolarHBondContact O-CA 3.21Å; G198-Y224 VanDerWaalsContact O-CD2 3.31Å; G198-Y224 WeakPolarHBondContact O-CD2 3.31Å; G198-S225 WeakPolarHBondContact CA-O 3.16Å; G198-S225 PolarHBondContact O-N 3.13Å |
| 199 | L | 91.3 | Very high | 92.5 | Very high | 53 Ų | 53 | 46.4 Ų | 46.4 | 28% | 0.277 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 122.1 | -176.4 | -175.4 | 68.2 | 0 | 0 | 0 | 109.9 | V195 S196 L201 Q223 Y224 | V195-L199 PolarHBondContact N-O 3.16Å; S196-L199 PolarHBondContact N-O 3.08Å; S196-L199 VanDerWaalsContact N-O 3.16Å; S196-L199 PolarHBondContact O-N 3.13Å; S196-L199 VanDerWaalsContact O-N 3.13Å; S196-L199 WeakPolarHBondContact OG-CB 3.38Å; S196-L199 PolarHBondContact OG-N 3.14Å; S196-L199 VanDerWaalsContact OG-N 3.11Å; L199-L201 HydrophobicContact CD1-CD2 4.17Å; L199-L201 HydrophobicContact CD2-CD1 4.42Å; L199-L201 HydrophobicContact CD2-CG 4.4Å; L199-L201 HydrophobicContact CG-CD2 4.38Å; L199-L201 HydrophobicContact CG-CG 4.24Å; L199-Q223 WeakPolarHBondContact CA-O 3.38Å; L199-Y224 HydrophobicContact CB-CD2 4.21Å; L199-Y224 HydrophobicContact CD1-CD2 3.97Å |
| 200 | V | 94.4 | Very high | 91.9 | Very high | 12 Ų | 12 | 45.9 Ų | 45.9 | 7% | 0.073 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 130.9 | 172.4 | 176.8 | 0 | 0 | 0 | 0 | 107.5 | P50 L192 Q193 G222 Q223 | P50-V200 HydrophobicContact CB-CB 4.19Å; P50-V200 HydrophobicContact CB-CG1 3.4Å; P50-V200 VanDerWaalsContact CB-CG1 3.4Å; P50-V200 HydrophobicContact CB-CG2 3.67Å; P50-V200 HydrophobicContact CG-CG1 4.33Å; L192-V200 HydrophobicContact CB-CG1 4.21Å; L192-V200 HydrophobicContact CD2-CG1 3.9Å; Q193-V200 WeakPolarHBondContact O-CA 3.26Å; V200-G222 CarbonylContact O-C 3.55Å; V200-G222 WeakPolarHBondContact O-CA 3.35Å; V200-Q223 HydrophobicContact CB-CB 4.28Å; V200-Q223 PolarHBondContact N-O 2.8Å; V200-Q223 PolarHBondContact O-N 2.78Å |
| 201 | L | 95.8 | Very high | 90.9 | Very high | 81 Ų | 81 | 56.5 Ų | 56.5 | 42% | 0.424 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 153.4 | 173.8 | -63.4 | -179.7 | 0 | 0 | 0 | 109.2 | Q193 V195 L199 A221 | Q193-L201 PolarHBondContact N-O 3.46Å; Q193-L201 PolarHBondContact O-N 3.11Å; V195-L201 HydrophobicContact CG2-CB 4.2Å; V195-L201 HydrophobicContact CG2-CD1 4.11Å; V195-L201 HydrophobicContact CG2-CG 4.19Å; L199-L201 HydrophobicContact CD1-CD2 4.17Å; L199-L201 HydrophobicContact CD2-CD1 4.42Å; L199-L201 HydrophobicContact CD2-CG 4.4Å; L199-L201 HydrophobicContact CG-CD2 4.38Å; L199-L201 HydrophobicContact CG-CG 4.24Å; L201-A221 CarbonylContact C-O 3.55Å; L201-A221 WeakPolarHBondContact CA-O 3.23Å |
| 202 | G | 95.5 | Very high | 89.8 | Confident | 19 Ų | 19 | 56.8 Ų | 56.8 | 20% | 0.196 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.4 | -163.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | F191 A221 | F191-G202 CarbonylContact O-C 3.55Å; F191-G202 WeakPolarHBondContact O-CA 3.35Å; G202-A221 PolarHBondContact N-O 3.26Å; G202-A221 PolarHBondContact O-N 3.03Å |
| 203 | G | 95.2 | Very high | 89 | Confident | 15 Ų | 15 | 63.5 Ų | 63.5 | 16% | 0.155 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 164.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | H190 F191 T219 | H190-G203 WeakPolarHBondContact CA-O 3.42Å; F191-G203 PolarHBondContact N-O 3.26Å; F191-G203 PolarHBondContact O-N 2.91Å; G203-T219 CarbonylContact C-O 3.56Å; G203-T219 WeakPolarHBondContact CA-O 3.25Å |
| 204 | E | 95.5 | Very high | 88.8 | Confident | 41 Ų | 41 | 66 Ų | 66 | 19% | 0.192 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 126.8 | 175.3 | 170.1 | -176.9 | -148.6 | 0 | 0 | 107.9 | F53 V188 A189 H190 V206 L218 T219 | F53-E204 HydrophobicContact CE1-CB 3.92Å; F53-E204 HydrophobicContact CE1-CG 4.37Å; F53-E204 VanDerWaalsContact CE1-OE2 3.32Å; F53-E204 WeakPolarHBondContact CE1-OE2 3.5Å; F53-E204 HydrophobicContact CE2-CB 3.91Å; F53-E204 HydrophobicContact CZ-CB 3.51Å; F53-E204 HydrophobicContact CZ-CG 4.41Å; V188-E204 HydrophobicContact CG1-CG 3.83Å; V188-E204 WeakPolarHBondContact CG1-OE1 3.13Å; A189-E204 CarbonylContact O-C 3.56Å; A189-E204 WeakPolarHBondContact O-CA 3.47Å; H190-E204 VanDerWaalsContact CE1-CD 3.44Å; H190-E204 IonicContact CE1-OE1 2.67Å; H190-E204 PolarHBondContact CE1-OE1 3.02Å; H190-E204 WeakPolarHBondContact ND1-CG 3.46Å; H190-E204 IonicContact ND1-OE1 3.78Å; E204-V206 HydrophobicContact CG-CG2 3.94Å; E204-L218 WeakPolarHBondContact O-CA 3.38Å; E204-T219 PolarHBondContact N-O 3Å; E204-T219 PolarHBondContact O-N 3.36Å |
| 205 | L | 94.8 | Very high | 88.5 | Confident | 85 Ų | 85 | 66.8 Ų | 66.8 | 45% | 0.445 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 112.1 | 171.3 | 178.6 | 67.1 | 0 | 0 | 0 | 108.1 | V188 A189 L218 | V188-L205 CarbonylContact C-O 3.58Å; V188-L205 WeakPolarHBondContact CA-O 3.4Å; A189-L205 PolarHBondContact N-O 3Å; A189-L205 PolarHBondContact O-N 3.36Å; L205-L218 HydrophobicContact CB-CD1 4.43Å; L205-L218 HydrophobicContact CD1-CB 4.46Å; L205-L218 HydrophobicContact CD1-CD1 4.5Å |
| 206 | V | 94 | Very high | 88.5 | Confident | 34 Ų | 34 | 65 Ų | 65 | 21% | 0.206 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 111.2 | 171.1 | -178.2 | 0 | 0 | 0 | 0 | 107.9 | V188 E204 G216 I217 | V188-V206 HydrophobicContact CG1-CG2 3.99Å; V188-V206 HydrophobicContact CG2-CG1 4.32Å; V188-V206 HydrophobicContact CG2-CG2 4.29Å; E204-V206 HydrophobicContact CG-CG2 3.94Å; V206-G216 CarbonylContact O-C 3.55Å; V206-G216 WeakPolarHBondContact O-CA 3.36Å; V206-I217 PolarHBondContact N-O 2.84Å; V206-I217 PolarHBondContact O-N 2.66Å |
| 207 | Y | 92.4 | Very high | 88.6 | Confident | 60 Ų | 60 | 64.9 Ų | 64.9 | 24% | 0.235 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 119.9 | 171.2 | 177.8 | -101.9 | 0 | 0 | 0 | 108.9 | I186 L187 R209 E214 | I186-Y207 WeakPolarHBondContact CA-O 3.38Å; L187-Y207 HydrophobicContact CB-CD1 4.44Å; L187-Y207 HydrophobicContact CD1-CD1 4.18Å; L187-Y207 PolarHBondContact N-O 2.96Å; L187-Y207 PolarHBondContact O-N 2.79Å; L187-Y207 VanDerWaalsContact O-O 3.14Å; Y207-R209 HydrophobicContact CE1-CB 3.84Å; Y207-E214 HydrophobicContact CE2-CG 3.82Å; Y207-E214 VanDerWaalsContact CE2-OE1 3.23Å; Y207-E214 WeakPolarHBondContact CE2-OE1 3.13Å; Y207-E214 VanDerWaalsContact CZ-OE1 3.3Å; Y207-E214 VanDerWaalsContact OH-CD 3.26Å; Y207-E214 PolarHBondContact OH-OE1 2.79Å |
| 208 | H | 90.9 | Very high | 89.1 | Confident | 65 Ų | 65 | 67.9 Ų | 67.9 | 30% | 0.301 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 127.8 | 172.2 | 62.9 | -72.9 | 0 | 0 | 0 | 108.6 | I186 G215 | I186-H208 HydrophobicContact CG1-CB 4.14Å; H208-G215 VanDerWaalsContact CE1-CA 3.45Å; H208-G215 WeakPolarHBondContact CE1-CA 3.2Å; H208-G215 PolarHBondContact CE1-O 2.82Å; H208-G215 PolarHBondContact N-O 2.86Å; H208-G215 PolarHBondContact ND1-O 2.77Å; H208-G215 PolarHBondContact O-N 2.8Å |
| 209 | R | 86.7 | Confident | 89.5 | Confident | 106 Ų | 106 | 68.5 Ų | 68.5 | 40% | 0.4 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 121.8 | 171.9 | 179.6 | 173.4 | 169.1 | 154.6 | -4.8 | 107.3 | E183 S184 V185 Y207 | E183-R209 IonicContact OE2-NH2 3.24Å; E183-R209 PolarHBondContact OE2-NH2 2.8Å; E183-R209 VanDerWaalsContact OE2-NH2 3.13Å; S184-R209 CarbonylContact C-O 3.55Å; S184-R209 WeakPolarHBondContact CA-O 3.32Å; V185-R209 HydrophobicContact CG1-CB 4.36Å; V185-R209 PolarHBondContact N-O 2.79Å; V185-R209 PolarHBondContact O-N 2.87Å; Y207-R209 HydrophobicContact CE1-CB 3.84Å |
| 210 | G | 84 | Confident | 89.8 | Confident | 30 Ų | 30 | 71.2 Ų | 71.2 | 31% | 0.309 | 38% | 0.383 | S | S | . | . | trans | -120.9 | 171.6 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | A212 E213 | G210-A212 PolarHBondContact O-N 2.8Å; G210-A212 VanDerWaalsContact O-N 3.09Å; G210-E213 PolarHBondContact N-O 3.48Å | ||
| 211 | R | 73.1 | Confident | 89.9 | Confident | 234 Ų | 234 | 71 Ų | 71 | 88% | 0.883 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -59 | -25.3 | -176.4 | -166.5 | 175.9 | -179.8 | -174.4 | 1.3 | 114.4 | ||
| 212 | A | 72 | Confident | 89.8 | Confident | 99 Ų | 99 | 68 Ų | 68 | 82% | 0.818 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -119.8 | -17.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | G210 | G210-A212 PolarHBondContact O-N 2.8Å; G210-A212 VanDerWaalsContact O-N 3.09Å |
| 213 | E | 78.9 | Confident | 89.8 | Confident | 144 Ų | 144 | 68 Ų | 68 | 67% | 0.673 | 37% | 0.366 | S | S | * | . | trans | -138.7 | 132 | -172.9 | -67.8 | -175.2 | 170.9 | 0 | 0 | 110.3 | G210 | G210-E213 PolarHBondContact N-O 3.48Š| ||
| 214 | E | 87.9 | Confident | 89.7 | Confident | 134 Ų | 134 | 70.9 Ų | 70.9 | 63% | 0.626 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 131.9 | 171.6 | -176.3 | 176.5 | -179.6 | 0 | 0 | 108.3 | Y207 | Y207-E214 HydrophobicContact CE2-CG 3.82Å; Y207-E214 VanDerWaalsContact CE2-OE1 3.23Å; Y207-E214 WeakPolarHBondContact CE2-OE1 3.13Å; Y207-E214 VanDerWaalsContact CZ-OE1 3.3Å; Y207-E214 VanDerWaalsContact OH-CD 3.26Å; Y207-E214 PolarHBondContact OH-OE1 2.79Å |
| 215 | G | 87.9 | Confident | 89.5 | Confident | 18 Ų | 18 | 70.2 Ų | 70.2 | 19% | 0.186 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 137.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | H208 | H208-G215 VanDerWaalsContact CE1-CA 3.45Å; H208-G215 WeakPolarHBondContact CE1-CA 3.2Å; H208-G215 PolarHBondContact CE1-O 2.82Å; H208-G215 PolarHBondContact N-O 2.86Å; H208-G215 PolarHBondContact ND1-O 2.77Å; H208-G215 PolarHBondContact O-N 2.8Å |
| 216 | G | 89.8 | Confident | 89.3 | Confident | 47 Ų | 47 | 72.1 Ų | 72.1 | 49% | 0.485 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 132.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | V206 | V206-G216 CarbonylContact O-C 3.55Å; V206-G216 WeakPolarHBondContact O-CA 3.36Å |
| 217 | I | 91.8 | Very high | 88.9 | Confident | 39 Ų | 39 | 74.9 Ų | 74.9 | 20% | 0.2 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 118.9 | 170.3 | -57.8 | 176.2 | 0 | 0 | 0 | 107.5 | V206 K237 | V206-I217 PolarHBondContact N-O 2.84Å; V206-I217 PolarHBondContact O-N 2.66Å; I217-K237 HydrophobicContact CG2-CB 4.43Å |
| 218 | L | 93.7 | Very high | 88.8 | Confident | 101 Ų | 101 | 76.6 Ų | 76.6 | 53% | 0.529 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 128.5 | 168.8 | -177.9 | 67.5 | 0 | 0 | 0 | 108.9 | E204 L205 G236 | E204-L218 WeakPolarHBondContact O-CA 3.38Å; L205-L218 HydrophobicContact CB-CD1 4.43Å; L205-L218 HydrophobicContact CD1-CB 4.46Å; L205-L218 HydrophobicContact CD1-CD1 4.5Å; L218-G236 WeakPolarHBondContact O-CA 3.39Å |
| 219 | T | 94.9 | Very high | 88.9 | Confident | 21 Ų | 21 | 77.4 Ų | 77.4 | 13% | 0.129 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 126.8 | 174 | -56.6 | 0 | 0 | 0 | 0 | 107.9 | G203 E204 N234 | G203-T219 CarbonylContact C-O 3.56Å; G203-T219 WeakPolarHBondContact CA-O 3.25Å; E204-T219 PolarHBondContact N-O 3Å; E204-T219 PolarHBondContact O-N 3.36Å; T219-N234 HydrophobicContact CG2-CB 4.08Å |
| 220 | L | 96.7 | Very high | 89.3 | Confident | 111 Ų | 111 | 73 Ų | 73 | 58% | 0.581 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 140.6 | 171.9 | -60.5 | 178 | 0 | 0 | 0 | 108.9 | N234 A235 | L220-N234 CarbonylContact O-C 3.54Å; L220-N234 VanDerWaalsContact O-CA 3.25Å; L220-N234 WeakPolarHBondContact O-CA 3.36Å; L220-A235 PolarHBondContact N-O 3.07Å; L220-A235 PolarHBondContact O-N 2.89Å |
| 221 | A | 95.6 | Very high | 89.9 | Confident | 6 Ų | 6 | 73 Ų | 73 | 5% | 0.05 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 139.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | F53 L56 L192 L201 G202 L233 N234 | F53-A221 HydrophobicContact CD2-CB 4.42Å; F53-A221 HydrophobicContact CE2-CB 3.48Å; F53-A221 VanDerWaalsContact CE2-CB 3.48Å; F53-A221 HydrophobicContact CZ-CB 4.02Å; L56-A221 HydrophobicContact CD1-CB 3.87Å; L192-A221 HydrophobicContact CD2-CB 4.4Å; L201-A221 CarbonylContact C-O 3.55Å; L201-A221 WeakPolarHBondContact CA-O 3.23Å; G202-A221 PolarHBondContact N-O 3.26Å; G202-A221 PolarHBondContact O-N 3.03Å; A221-L233 CarbonylContact C-O 3.59Å; A221-L233 WeakPolarHBondContact CA-O 3.48Å; A221-N234 WeakPolarHBondContact CA-OD1 3.39Å; A221-N234 WeakPolarHBondContact CB-OD1 3.19Å |
| 222 | G | 95.1 | Very high | 90.9 | Very high | 18 Ų | 18 | 62.2 Ų | 62.2 | 19% | 0.186 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 136.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | V200 T232 L233 | V200-G222 CarbonylContact O-C 3.55Å; V200-G222 WeakPolarHBondContact O-CA 3.35Å; G222-T232 CarbonylContact O-C 3.54Å; G222-T232 VanDerWaalsContact O-CA 3.25Å; G222-T232 WeakPolarHBondContact O-CA 3.29Å; G222-L233 PolarHBondContact N-O 2.91Å; G222-L233 PolarHBondContact O-N 2.8Å |
| 223 | Q | 94.7 | Very high | 92.1 | Very high | 21 Ų | 21 | 61.9 Ų | 61.9 | 10% | 0.098 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 132.1 | 172.6 | 167.6 | 178.1 | 45.2 | 0 | 0 | 109.8 | L56 L199 V200 V230 A231 T232 | L56-Q223 HydrophobicContact CD2-CB 3.82Å; L56-Q223 HydrophobicContact CD2-CG 4.49Å; L199-Q223 WeakPolarHBondContact CA-O 3.38Å; V200-Q223 HydrophobicContact CB-CB 4.28Å; V200-Q223 PolarHBondContact N-O 2.8Å; V200-Q223 PolarHBondContact O-N 2.78Å; Q223-V230 HydrophobicContact CG-CG1 4.03Å; Q223-A231 CarbonylContact C-O 3.41Å; Q223-A231 WeakPolarHBondContact CA-O 3.44Å; Q223-T232 HydrophobicContact CB-CG2 3.78Å; Q223-T232 HydrophobicContact CG-CG2 3.76Å |
| 224 | Y | 93.8 | Very high | 92.9 | Very high | 75 Ų | 75 | 55.8 Ų | 55.8 | 29% | 0.294 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 115.9 | 173.8 | -166.9 | -103.5 | 0 | 0 | 0 | 110.9 | G198 L199 R226 W229 V230 A231 | G198-Y224 CarbonylContact O-C 3.51Å; G198-Y224 WeakPolarHBondContact O-CA 3.21Å; G198-Y224 VanDerWaalsContact O-CD2 3.31Å; G198-Y224 WeakPolarHBondContact O-CD2 3.31Å; L199-Y224 HydrophobicContact CB-CD2 4.21Å; L199-Y224 HydrophobicContact CD1-CD2 3.97Å; Y224-R226 HydrophobicContact CD1-CG 4.18Å; Y224-R226 HydrophobicContact CE1-CG 3.61Å; Y224-R226 VanDerWaalsContact OH-CZ 3.26Å; Y224-R226 PolarHBondContact OH-NE 2.86Å; Y224-R226 PolarHBondContact OH-NH2 3.29Å; Y224-W229 AromaticContact CD1-CH2 3.26Å; Y224-W229 HydrophobicContact CD1-CH2 3.26Å; Y224-W229 HydrophobicContact CD1-CZ2 4.01Å; Y224-W229 AromaticContact CD1-CZ3 3.6Å; Y224-W229 HydrophobicContact CD1-CZ3 3.6Å; Y224-W229 AromaticContact CE1-CH2 3.48Å; Y224-W229 HydrophobicContact CE1-CH2 3.48Å; Y224-W229 VanDerWaalsContact CE1-CH2 3.48Å; Y224-W229 AromaticContact CE1-CZ2 3.82Å; Y224-W229 HydrophobicContact CE1-CZ2 3.82Å; Y224-W229 HydrophobicContact CE1-CZ3 4.27Å; Y224-V230 CarbonylContact O-C 3.53Å; Y224-V230 WeakPolarHBondContact O-CA 3.29Å; Y224-A231 PolarHBondContact N-O 2.99Å; Y224-A231 PolarHBondContact O-N 2.85Å |
| 225 | S | 91.1 | Very high | 93.2 | Very high | 27 Ų | 27 | 51.4 Ų | 51.4 | 19% | 0.189 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 125.8 | -172.9 | -63.5 | 0 | 0 | 0 | 0 | 110.9 | G198 | G198-S225 WeakPolarHBondContact CA-O 3.16Å; G198-S225 PolarHBondContact O-N 3.13Å |
| 226 | R | 90.5 | Very high | 93.5 | Very high | 125 Ų | 125 | 51.8 Ų | 51.8 | 47% | 0.472 | 29% | 0.294 | S | S | . | . | trans | -124.6 | 167.7 | 172.2 | -72.1 | -62.3 | -168.3 | 159.6 | 3.8 | 109.4 | Y224 N228 W229 | Y224-R226 HydrophobicContact CD1-CG 4.18Å; Y224-R226 HydrophobicContact CE1-CG 3.61Å; Y224-R226 VanDerWaalsContact OH-CZ 3.26Å; Y224-R226 PolarHBondContact OH-NE 2.86Å; Y224-R226 PolarHBondContact OH-NH2 3.29Å; R226-N228 PolarHBondContact O-N 2.95Å; R226-N228 VanDerWaalsContact O-N 3.08Å; R226-W229 CarbonylContact C-O 3.58Å; R226-W229 HydrophobicContact CB-CD2 4.12Å; R226-W229 HydrophobicContact CB-CG 4.25Å; R226-W229 HydrophobicContact CB-CZ2 4.31Å; R226-W229 HydrophobicContact CG-CD2 4.43Å; R226-W229 HydrophobicContact CG-CH2 4.44Å; R226-W229 HydrophobicContact CG-CZ2 3.76Å; R226-W229 PolarHBondContact N-O 2.86Å; R226-W229 PolarHBondContact O-N 2.92Å | ||
| 227 | P | 86.3 | Confident | 93.4 | Very high | 91 Ų | 91 | 57.8 Ų | 57.8 | 59% | 0.591 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -55.5 | -32.3 | -173.7 | -29.2 | 36.5 | 0 | 0 | 0 | 115.2 | P37 | P37-P227 WeakPolarHBondContact CG-O 3.32Š|
| 228 | N | 90.1 | Very high | 93.1 | Very high | 97 Ų | 97 | 57.5 Ų | 57.5 | 52% | 0.519 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -113.3 | -10.8 | -174.5 | -62.8 | -7.1 | 0 | 0 | 0 | 113.7 | R226 R247 | R226-N228 PolarHBondContact O-N 2.95Å; R226-N228 VanDerWaalsContact O-N 3.08Å; N228-R247 PolarHBondContact O-N 3.31Å |
| 229 | W | 92.9 | Very high | 93 | Very high | 82 Ų | 82 | 53.5 Ų | 53.5 | 31% | 0.311 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 152.8 | -174.6 | 64.7 | -93.3 | 0 | 0 | 0 | 112.5 | Y224 R226 A231 Y244 Y245 H246 | Y224-W229 AromaticContact CD1-CH2 3.26Å; Y224-W229 HydrophobicContact CD1-CH2 3.26Å; Y224-W229 HydrophobicContact CD1-CZ2 4.01Å; Y224-W229 AromaticContact CD1-CZ3 3.6Å; Y224-W229 HydrophobicContact CD1-CZ3 3.6Å; Y224-W229 AromaticContact CE1-CH2 3.48Å; Y224-W229 HydrophobicContact CE1-CH2 3.48Å; Y224-W229 VanDerWaalsContact CE1-CH2 3.48Å; Y224-W229 AromaticContact CE1-CZ2 3.82Å; Y224-W229 HydrophobicContact CE1-CZ2 3.82Å; Y224-W229 HydrophobicContact CE1-CZ3 4.27Å; R226-W229 CarbonylContact C-O 3.58Å; R226-W229 HydrophobicContact CB-CD2 4.12Å; R226-W229 HydrophobicContact CB-CG 4.25Å; R226-W229 HydrophobicContact CB-CZ2 4.31Å; R226-W229 HydrophobicContact CG-CD2 4.43Å; R226-W229 HydrophobicContact CG-CH2 4.44Å; R226-W229 HydrophobicContact CG-CZ2 3.76Å; R226-W229 PolarHBondContact N-O 2.86Å; R226-W229 PolarHBondContact O-N 2.92Å; W229-A231 HydrophobicContact CE3-CB 4.2Å; W229-A231 HydrophobicContact CZ3-CB 3.76Å; W229-Y244 HydrophobicContact CB-CE2 4.17Å; W229-Y244 HydrophobicContact CD2-CE2 4.13Å; W229-Y244 HydrophobicContact CE3-CD2 4.34Å; W229-Y244 AromaticContact CE3-CE2 3.69Å; W229-Y244 HydrophobicContact CE3-CE2 3.69Å; W229-Y244 HydrophobicContact CG-CE2 4.38Å; W229-Y244 HydrophobicContact CZ3-CE2 4.33Å; W229-Y245 CarbonylContact C-O 3.6Å; W229-Y245 WeakPolarHBondContact CA-O 3.35Å; W229-Y245 VanDerWaalsContact CB-O 3.29Å; W229-Y245 WeakPolarHBondContact CB-O 3.46Å; W229-H246 HydrophobicContact CB-CB 4.37Å; W229-H246 WeakPolarHBondContact CB-ND1 3.49Å |
| 230 | V | 94.4 | Very high | 93 | Very high | 13 Ų | 13 | 54 Ų | 54 | 8% | 0.079 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 127 | 179.6 | 179.7 | 0 | 0 | 0 | 0 | 107.8 | Q223 Y224 T232 Y245 | Q223-V230 HydrophobicContact CG-CG1 4.03Å; Y224-V230 CarbonylContact O-C 3.53Å; Y224-V230 WeakPolarHBondContact O-CA 3.29Å; V230-T232 HydrophobicContact CG1-CG2 4.16Å; V230-Y245 HydrophobicContact CB-CD1 4.41Å; V230-Y245 HydrophobicContact CG2-CD1 4.32Å; V230-Y245 PolarHBondContact N-O 2.83Å; V230-Y245 PolarHBondContact O-N 3.21Å |
| 231 | A | 95.8 | Very high | 92.9 | Very high | 30 Ų | 30 | 50.2 Ų | 50.2 | 25% | 0.248 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 135.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | Q223 Y224 W229 S243 Y244 | Q223-A231 CarbonylContact C-O 3.41Å; Q223-A231 WeakPolarHBondContact CA-O 3.44Å; Y224-A231 PolarHBondContact N-O 2.99Å; Y224-A231 PolarHBondContact O-N 2.85Å; W229-A231 HydrophobicContact CE3-CB 4.2Å; W229-A231 HydrophobicContact CZ3-CB 3.76Å; A231-S243 CarbonylContact C-O 3.51Å; A231-S243 WeakPolarHBondContact CA-O 3.24Å; A231-Y244 HydrophobicContact CB-CD2 4.15Å |
| 232 | T | 95.8 | Very high | 93 | Very high | 7 Ų | 7 | 51.3 Ų | 51.3 | 4% | 0.043 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 148.9 | 174 | 66.7 | 0 | 0 | 0 | 0 | 111.2 | L56 H57 G222 Q223 V230 A242 S243 | L56-T232 HydrophobicContact CB-CG2 4.49Å; L56-T232 WeakPolarHBondContact O-CG2 3.32Å; H57-T232 PolarHBondContact CE1-OG1 2.73Å; H57-T232 PolarHBondContact ND1-OG1 2.77Å; G222-T232 CarbonylContact O-C 3.54Å; G222-T232 VanDerWaalsContact O-CA 3.25Å; G222-T232 WeakPolarHBondContact O-CA 3.29Å; Q223-T232 HydrophobicContact CB-CG2 3.78Å; Q223-T232 HydrophobicContact CG-CG2 3.76Å; V230-T232 HydrophobicContact CG1-CG2 4.16Å; T232-A242 CarbonylContact O-C 3.56Å; T232-A242 VanDerWaalsContact O-CA 3.31Å; T232-A242 WeakPolarHBondContact O-CA 3.49Å; T232-S243 PolarHBondContact N-O 2.89Å; T232-S243 PolarHBondContact O-N 2.92Å; T232-S243 PolarHBondContact OG1-OG 2.98Å |
| 233 | L | 96.3 | Very high | 93 | Very high | 92 Ų | 92 | 50.8 Ų | 50.8 | 48% | 0.482 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 121.3 | 177.4 | 176.6 | 65.7 | 0 | 0 | 0 | 109.1 | A221 G222 A242 | A221-L233 CarbonylContact C-O 3.59Å; A221-L233 WeakPolarHBondContact CA-O 3.48Å; G222-L233 PolarHBondContact N-O 2.91Å; G222-L233 PolarHBondContact O-N 2.8Å; L233-A242 HydrophobicContact CD1-CB 3.88Å |
| 234 | N | 94.9 | Very high | 93.1 | Very high | 17 Ų | 17 | 54.1 Ų | 54.1 | 9% | 0.091 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 125.4 | 167.6 | -70.4 | 4 | 0 | 0 | 0 | 107.9 | H57 T219 L220 A221 A240 H241 | H57-N234 PolarHBondContact NE2-ND2 2.83Å; T219-N234 HydrophobicContact CG2-CB 4.08Å; L220-N234 CarbonylContact O-C 3.54Å; L220-N234 VanDerWaalsContact O-CA 3.25Å; L220-N234 WeakPolarHBondContact O-CA 3.36Å; A221-N234 WeakPolarHBondContact CA-OD1 3.39Å; A221-N234 WeakPolarHBondContact CB-OD1 3.19Å; N234-A240 CarbonylContact O-C 3.41Å; N234-A240 VanDerWaalsContact O-CA 3.26Å; N234-A240 WeakPolarHBondContact O-CA 3.35Å; N234-H241 HydrophobicContact CB-CB 4.49Å; N234-H241 PolarHBondContact N-O 2.78Å; N234-H241 PolarHBondContact O-N 2.58Å |
| 235 | A | 95.8 | Very high | 93.3 | Very high | 41 Ų | 41 | 51.3 Ų | 51.3 | 34% | 0.339 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 130.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | L220 A240 | L220-A235 PolarHBondContact N-O 3.07Å; L220-A235 PolarHBondContact O-N 2.89Å; A235-A240 HydrophobicContact CB-CB 4.39Å |
| 236 | G | 92.6 | Very high | 93.5 | Very high | 26 Ų | 26 | 52.7 Ų | 52.7 | 27% | 0.268 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158 | -175 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L218 G238 G239 | L218-G236 WeakPolarHBondContact O-CA 3.39Å; G236-G238 PolarHBondContact O-N 2.79Å; G236-G239 PolarHBondContact N-O 2.82Å; G236-G239 PolarHBondContact O-N 2.79Å; G236-G239 VanDerWaalsContact O-N 3.16Å; G236-G239 VanDerWaalsContact O-O 3.07Å |
| 237 | K | 88.4 | Confident | 93.6 | Very high | 173 Ų | 173 | 48.8 Ų | 48.8 | 75% | 0.752 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -30.3 | 178.9 | -172.3 | 178.8 | 177.1 | -176.5 | 0 | 112.6 | I217 T262 | I217-K237 HydrophobicContact CG2-CB 4.43Å; K237-T262 PolarHBondContact O-OG1 2.85Å |
| 238 | G | 84.8 | Confident | 93.8 | Very high | 33 Ų | 33 | 47.4 Ų | 47.4 | 34% | 0.34 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -21.5 | 180 | 0 | 0 | 0 | 0 | 0 | 114.9 | G236 T262 | G236-G238 PolarHBondContact O-N 2.79Å; G238-T262 PolarHBondContact O-N 2.79Å |
| 239 | G | 92.8 | Very high | 93.8 | Very high | 18 Ų | 18 | 47.3 Ų | 47.3 | 19% | 0.186 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 151.3 | -173.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | G236 A260 | G236-G239 PolarHBondContact N-O 2.82Å; G236-G239 PolarHBondContact O-N 2.79Å; G236-G239 VanDerWaalsContact O-N 3.16Å; G236-G239 VanDerWaalsContact O-O 3.07Å; G239-A260 CarbonylContact C-O 3.52Å; G239-A260 WeakPolarHBondContact CA-O 3.36Å |
| 240 | A | 94.5 | Very high | 93.5 | Very high | 31 Ų | 31 | 50.3 Ų | 50.3 | 26% | 0.256 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 138 | 174 | 0 | 0 | 0 | 0 | 0 | 110.3 | N234 A235 A260 | N234-A240 CarbonylContact O-C 3.41Å; N234-A240 VanDerWaalsContact O-CA 3.26Å; N234-A240 WeakPolarHBondContact O-CA 3.35Å; A235-A240 HydrophobicContact CB-CB 4.39Å; A240-A260 PolarHBondContact N-O 2.83Å; A240-A260 PolarHBondContact O-N 2.86Å |
| 241 | H | 95.7 | Very high | 93.3 | Very high | 31 Ų | 31 | 53.6 Ų | 53.6 | 14% | 0.144 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 112.1 | 174.8 | 178.4 | -155.4 | 0 | 0 | 0 | 108.6 | H57 N234 E257 F258 | H57-H241 AromaticContact CD2-CE1 3.74Å; H57-H241 AromaticContact CD2-ND1 3.7Å; H57-H241 AromaticContact CE1-CD2 3.91Å; H57-H241 AromaticContact CE1-CE1 3.42Å; H57-H241 PolarHBondContact CE1-CE1 2.83Å; H57-H241 VanDerWaalsContact CE1-CE1 3.42Å; H57-H241 AromaticContact CE1-CG 3.68Å; H57-H241 AromaticContact CE1-ND1 3.36Å; H57-H241 PolarHBondContact CE1-ND1 3.07Å; H57-H241 AromaticContact CE1-NE2 3.69Å; H57-H241 PolarHBondContact CE1-O 2.83Å; H57-H241 AromaticContact CG-CE1 3.38Å; H57-H241 AromaticContact CG-ND1 3.81Å; H57-H241 AromaticContact ND1-CE1 3.18Å; H57-H241 PolarHBondContact ND1-CE1 3.15Å; H57-H241 AromaticContact ND1-ND1 3.63Å; H57-H241 AromaticContact ND1-NE2 3.44Å; H57-H241 PolarHBondContact ND1-NE2 2.95Å; H57-H241 AromaticContact NE2-CE1 3.77Å; H57-H241 AromaticContact NE2-ND1 3.42Å; H57-H241 PolarHBondContact NE2-ND1 2.93Å; N234-H241 HydrophobicContact CB-CB 4.49Å; N234-H241 PolarHBondContact N-O 2.78Å; N234-H241 PolarHBondContact O-N 2.58Å; H241-E257 IonicContact CE1-OE1 3.85Å; H241-E257 PolarHBondContact CE1-OE1 3.32Å; H241-E257 WeakPolarHBondContact NE2-CG 3.31Å; H241-E257 IonicContact NE2-OE1 3.7Å; H241-E257 PolarHBondContact NE2-OE1 3.13Å; H241-F258 CarbonylContact C-O 3.59Å; H241-F258 WeakPolarHBondContact CA-O 3.47Å |
| 242 | A | 96.4 | Very high | 93.2 | Very high | 29 Ų | 29 | 55.1 Ų | 55.1 | 24% | 0.24 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 140.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | T232 L233 F258 | T232-A242 CarbonylContact O-C 3.56Å; T232-A242 VanDerWaalsContact O-CA 3.31Å; T232-A242 WeakPolarHBondContact O-CA 3.49Å; L233-A242 HydrophobicContact CD1-CB 3.88Å; A242-F258 HydrophobicContact CB-CB 4.38Å; A242-F258 PolarHBondContact N-O 3.49Å; A242-F258 PolarHBondContact O-N 3.06Å |
| 243 | S | 96.3 | Very high | 93.2 | Very high | 8 Ų | 8 | 56.4 Ų | 56.4 | 6% | 0.056 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 144.1 | 172.5 | 82.4 | 0 | 0 | 0 | 0 | 112.1 | H57 A231 T232 V256 | H57-S243 WeakPolarHBondContact ND1-CB 3.37Å; H57-S243 PolarHBondContact ND1-OG 3.03Å; A231-S243 CarbonylContact C-O 3.51Å; A231-S243 WeakPolarHBondContact CA-O 3.24Å; T232-S243 PolarHBondContact N-O 2.89Å; T232-S243 PolarHBondContact O-N 2.92Å; T232-S243 PolarHBondContact OG1-OG 2.98Å; S243-V256 CarbonylContact C-O 3.51Å; S243-V256 VanDerWaalsContact CA-O 3.25Å; S243-V256 WeakPolarHBondContact CA-O 3.25Å |
| 244 | Y | 96.9 | Very high | 93.2 | Very high | 91 Ų | 91 | 53.5 Ų | 53.5 | 36% | 0.357 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 115.2 | 179.2 | 178 | -101.6 | 0 | 0 | 0 | 109.3 | W229 A231 H246 G255 V256 | W229-Y244 HydrophobicContact CB-CE2 4.17Å; W229-Y244 HydrophobicContact CD2-CE2 4.13Å; W229-Y244 HydrophobicContact CE3-CD2 4.34Å; W229-Y244 AromaticContact CE3-CE2 3.69Å; W229-Y244 HydrophobicContact CE3-CE2 3.69Å; W229-Y244 HydrophobicContact CG-CE2 4.38Å; W229-Y244 HydrophobicContact CZ3-CE2 4.33Å; A231-Y244 HydrophobicContact CB-CD2 4.15Å; Y244-H246 HydrophobicContact CD1-CB 4.47Å; Y244-H246 HydrophobicContact CE1-CB 3.67Å; Y244-H246 PolarHBondContact OH-ND1 2.83Å; Y244-G255 CarbonylContact O-C 3.52Å; Y244-G255 WeakPolarHBondContact O-CA 3.31Å; Y244-V256 PolarHBondContact N-O 2.88Å; Y244-V256 PolarHBondContact O-N 2.79Å |
| 245 | Y | 96.5 | Very high | 93.3 | Very high | 16 Ų | 16 | 52.7 Ų | 52.7 | 6% | 0.063 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 135.3 | 174.9 | 168.3 | -97.9 | 0 | 0 | 0 | 109.7 | S59 V63 W229 V230 R247 Q253 | S59-Y245 WeakPolarHBondContact O-CD2 3.32Å; V63-Y245 HydrophobicContact CG2-CD2 3.67Å; V63-Y245 HydrophobicContact CG2-CE2 3.64Å; W229-Y245 CarbonylContact C-O 3.6Å; W229-Y245 WeakPolarHBondContact CA-O 3.35Å; W229-Y245 VanDerWaalsContact CB-O 3.29Å; W229-Y245 WeakPolarHBondContact CB-O 3.46Å; V230-Y245 HydrophobicContact CB-CD1 4.41Å; V230-Y245 HydrophobicContact CG2-CD1 4.32Å; V230-Y245 PolarHBondContact N-O 2.83Å; V230-Y245 PolarHBondContact O-N 3.21Å; Y245-R247 HydrophobicContact CE1-CB 4.36Å; Y245-Q253 HydrophobicContact CE2-CB 4.15Å; Y245-Q253 PolarHBondContact OH-OE1 3.08Å |
| 246 | H | 94.8 | Very high | 93.4 | Very high | 56 Ų | 56 | 53.3 Ų | 53.3 | 26% | 0.259 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 126.4 | 176.6 | -170.9 | 88.9 | 0 | 0 | 0 | 111.5 | W229 Y244 A248 V254 | W229-H246 HydrophobicContact CB-CB 4.37Å; W229-H246 WeakPolarHBondContact CB-ND1 3.49Å; Y244-H246 HydrophobicContact CD1-CB 4.47Å; Y244-H246 HydrophobicContact CE1-CB 3.67Å; Y244-H246 PolarHBondContact OH-ND1 2.83Å; H246-A248 PolarHBondContact O-N 2.87Å; H246-V254 PolarHBondContact N-O 3.18Å; H246-V254 PolarHBondContact O-N 2.85Å |
| 247 | R | 93.7 | Very high | 93.6 | Very high | 42 Ų | 42 | 53.6 Ų | 53.6 | 16% | 0.158 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 96.8 | 172.2 | -173.8 | 172.4 | -172.2 | 176.7 | 4.7 | 109.3 | N228 Y245 N249 Q253 | N228-R247 PolarHBondContact O-N 3.31Å; Y245-R247 HydrophobicContact CE1-CB 4.36Å; R247-N249 WeakPolarHBondContact CG-O 3.13Å; R247-N249 PolarHBondContact NE-O 2.82Å; R247-Q253 HydrophobicContact CG-CG 4.35Å |
| 248 | A | 89.7 | Confident | 93.9 | Very high | 63 Ų | 63 | 49.7 Ų | 49.7 | 52% | 0.521 | 27% | 0.268 | S | S | . | . | trans | -70.1 | -41.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112 | H246 I252 | H246-A248 PolarHBondContact O-N 2.87Å; A248-I252 HydrophobicContact CB-CG2 4.48Å; A248-I252 PolarHBondContact N-O 2.86Å | ||
| 249 | N | 89.9 | Confident | 94.4 | Very high | 95 Ų | 95 | 53.2 Ų | 53.2 | 51% | 0.508 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -149.4 | -179.6 | 176.9 | -159.7 | -1.2 | 0 | 0 | 0 | 111 | R247 Q251 I252 | R247-N249 WeakPolarHBondContact CG-O 3.13Å; R247-N249 PolarHBondContact NE-O 2.82Å; N249-Q251 PolarHBondContact O-N 3.46Å; N249-I252 PolarHBondContact N-O 2.81Å; N249-I252 VanDerWaalsContact N-O 3.13Å; N249-I252 VanDerWaalsContact O-O 3.11Å |
| 250 | K | 87.4 | Confident | 94.5 | Very high | 145 Ų | 145 | 53.4 Ų | 53.4 | 63% | 0.63 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -59.4 | -34.5 | 174.4 | -69.5 | -173 | 179.6 | -177.5 | 0 | 112.5 | ||
| 251 | Q | 90.3 | Very high | 94.4 | Very high | 82 Ų | 82 | 53.5 Ų | 53.5 | 38% | 0.383 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -92.5 | -27.5 | -177.8 | -67.2 | 172.9 | -33.3 | 0 | 0 | 113.6 | N249 M275 D276 | N249-Q251 PolarHBondContact O-N 3.46Å; Q251-M275 CarbonylContact O-C 3.51Å; Q251-M275 WeakPolarHBondContact O-CA 3.24Å; Q251-D276 WeakPolarHBondContact CB-O 3.22Å; Q251-D276 WeakPolarHBondContact CG-O 3.33Å; Q251-D276 PolarHBondContact O-N 2.8Å |
| 252 | I | 94.1 | Very high | 94.1 | Very high | 61 Ų | 61 | 56.5 Ų | 56.5 | 31% | 0.313 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 127.7 | -169.8 | -56.6 | 178.6 | 0 | 0 | 0 | 110.8 | A248 N249 V254 Q274 M275 | A248-I252 HydrophobicContact CB-CG2 4.48Å; A248-I252 PolarHBondContact N-O 2.86Å; N249-I252 PolarHBondContact N-O 2.81Å; N249-I252 VanDerWaalsContact N-O 3.13Å; N249-I252 VanDerWaalsContact O-O 3.11Å; I252-V254 HydrophobicContact CG2-CG2 4.33Å; I252-Q274 WeakPolarHBondContact CA-O 3.44Å; I252-M275 HydrophobicContact CG1-CG 4.35Å |
| 253 | Q | 95.5 | Very high | 93.6 | Very high | 34 Ų | 34 | 64.8 Ų | 64.8 | 16% | 0.159 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 144.2 | 174.5 | -51.4 | -177.5 | 38.7 | 0 | 0 | 109.2 | V63 Y245 R247 Y273 Q274 | V63-Q253 HydrophobicContact CG2-CB 4.27Å; Y245-Q253 HydrophobicContact CE2-CB 4.15Å; Y245-Q253 PolarHBondContact OH-OE1 3.08Å; R247-Q253 HydrophobicContact CG-CG 4.35Å; Q253-Y273 CarbonylContact O-C 3.56Å; Q253-Y273 VanDerWaalsContact O-CA 3.28Å; Q253-Y273 WeakPolarHBondContact O-CA 3.39Å; Q253-Q274 HydrophobicContact CB-CB 4.42Å; Q253-Q274 PolarHBondContact N-O 3.42Å; Q253-Q274 PolarHBondContact O-N 3.36Å |
| 254 | V | 96.9 | Very high | 93.3 | Very high | 31 Ų | 31 | 68.3 Ų | 68.3 | 19% | 0.188 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 140.3 | -176.7 | -177.9 | 0 | 0 | 0 | 0 | 108.9 | H246 I252 F271 | H246-V254 PolarHBondContact N-O 3.18Å; H246-V254 PolarHBondContact O-N 2.85Å; I252-V254 HydrophobicContact CG2-CG2 4.33Å; V254-F271 HydrophobicContact CG1-CD2 4.3Å; V254-F271 HydrophobicContact CG1-CE2 3.41Å; V254-F271 VanDerWaalsContact CG1-CE2 3.41Å; V254-F271 HydrophobicContact CG1-CZ 3.62Å |
| 255 | G | 96.8 | Very high | 93 | Very high | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 137.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | C60 Y244 G272 | C60-G255 VanDerWaalsContact SG-CA 3.59Å; Y244-G255 CarbonylContact O-C 3.52Å; Y244-G255 WeakPolarHBondContact O-CA 3.31Å; G255-G272 PolarHBondContact N-O 3.44Å; G255-G272 PolarHBondContact O-N 3.22Å; G255-G272 VanDerWaalsContact O-O 3.07Å |
| 256 | V | 97.1 | Very high | 92.7 | Very high | 55 Ų | 55 | 76.3 Ų | 76.3 | 33% | 0.333 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 132.3 | 170.5 | -172.8 | 0 | 0 | 0 | 0 | 107.8 | C60 S243 Y244 S270 F271 | C60-V256 PolarHBondContact SG-N 2.81Å; C60-V256 PolarHBondContact SG-O 2.81Å; S243-V256 CarbonylContact C-O 3.51Å; S243-V256 VanDerWaalsContact CA-O 3.25Å; S243-V256 WeakPolarHBondContact CA-O 3.25Å; Y244-V256 PolarHBondContact N-O 2.88Å; Y244-V256 PolarHBondContact O-N 2.79Å; V256-S270 CarbonylContact C-O 3.55Å; V256-S270 WeakPolarHBondContact CA-O 3.47Å; V256-F271 HydrophobicContact CG2-CD2 3.87Å; V256-F271 HydrophobicContact CG2-CE2 4.4Å |
| 257 | E | 96.4 | Very high | 92.7 | Very high | 32 Ų | 32 | 78 Ų | 78 | 15% | 0.15 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 134 | 178.8 | -164.2 | 174.8 | -156.7 | 0 | 0 | 108.4 | K61 F64 H241 A269 S270 | K61-E257 WeakPolarHBondContact CE-OE1 3.32Å; F64-E257 HydrophobicContact CE2-CB 4.18Å; F64-E257 HydrophobicContact CZ-CB 4Å; H241-E257 IonicContact CE1-OE1 3.85Å; H241-E257 PolarHBondContact CE1-OE1 3.32Å; H241-E257 WeakPolarHBondContact NE2-CG 3.31Å; H241-E257 IonicContact NE2-OE1 3.7Å; H241-E257 PolarHBondContact NE2-OE1 3.13Å; E257-A269 CarbonylContact O-C 3.49Å; E257-A269 WeakPolarHBondContact O-CA 3.49Å; E257-S270 PolarHBondContact N-O 2.99Å; E257-S270 PolarHBondContact O-N 3.04Å |
| 258 | F | 96.4 | Very high | 92.8 | Very high | 90 Ų | 90 | 77 Ų | 77 | 40% | 0.395 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 116.1 | 174.3 | 175.6 | -97.6 | 0 | 0 | 0 | 108.2 | H241 A242 A260 T267 T268 A269 | H241-F258 CarbonylContact C-O 3.59Å; H241-F258 WeakPolarHBondContact CA-O 3.47Å; A242-F258 HydrophobicContact CB-CB 4.38Å; A242-F258 PolarHBondContact N-O 3.49Å; A242-F258 PolarHBondContact O-N 3.06Å; F258-A260 HydrophobicContact CE1-CB 3.83Å; F258-A260 HydrophobicContact CZ-CB 4.08Å; F258-T267 HydrophobicContact CZ-CG2 4.43Å; F258-T268 WeakPolarHBondContact CA-O 2.99Å; F258-A269 HydrophobicContact CD2-CB 4.23Å |
| 259 | E | 95.3 | Very high | 93.1 | Very high | 108 Ų | 108 | 76 Ų | 76 | 51% | 0.505 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 124.3 | -180 | -170.7 | 178 | -174.3 | 0 | 0 | 109.3 | T267 T268 | E259-T267 CarbonylContact O-C 3.57Å; E259-T267 WeakPolarHBondContact O-CA 3.18Å; E259-T268 PolarHBondContact N-O 3.04Å; E259-T268 PolarHBondContact O-N 2.92Å |
| 260 | A | 94.7 | Very high | 93.4 | Very high | 22 Ų | 22 | 72.3 Ų | 72.3 | 18% | 0.182 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 119.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | G239 A240 F258 T267 | G239-A260 CarbonylContact C-O 3.52Å; G239-A260 WeakPolarHBondContact CA-O 3.36Å; A240-A260 PolarHBondContact N-O 2.83Å; A240-A260 PolarHBondContact O-N 2.86Å; F258-A260 HydrophobicContact CE1-CB 3.83Å; F258-A260 HydrophobicContact CZ-CB 4.08Å; A260-T267 HydrophobicContact CB-CG2 3.89Å |
| 261 | S | 92.3 | Very high | 93.9 | Very high | 33 Ų | 33 | 69.6 Ų | 69.6 | 23% | 0.231 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 119.4 | 179.1 | 170.6 | 0 | 0 | 0 | 0 | 109.7 | R263 T264 Q265 E266 | S261-R263 PolarHBondContact O-N 3.33Å; S261-R263 PolarHBondContact OG-N 3.09Å; S261-T264 VanDerWaalsContact CB-OG1 3.22Å; S261-T264 WeakPolarHBondContact CB-OG1 3.5Å; S261-T264 PolarHBondContact OG-N 3.42Å; S261-T264 PolarHBondContact OG-OG1 3.34Å; S261-T264 VanDerWaalsContact OG-OG1 3.09Å; S261-Q265 VanDerWaalsContact O-CA 3.31Å; S261-Q265 WeakPolarHBondContact O-CA 3.38Å; S261-Q265 PolarHBondContact O-N 3.42Å; S261-E266 PolarHBondContact N-O 3.3Å; S261-E266 PolarHBondContact O-N 2.96Å |
| 262 | T | 89.3 | Confident | 94.2 | Very high | 93 Ų | 93 | 65.7 Ų | 65.7 | 57% | 0.571 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -29.5 | 176.9 | -48.6 | 0 | 0 | 0 | 0 | 111 | K237 G238 | K237-T262 PolarHBondContact O-OG1 2.85Å; G238-T262 PolarHBondContact O-N 2.79Å |
| 263 | R | 85.5 | Confident | 94.3 | Very high | 204 Ų | 204 | 66 Ų | 66 | 77% | 0.77 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -47.3 | -178.1 | -175.4 | -175.9 | -62.4 | -174 | -0.4 | 112.2 | S261 | S261-R263 PolarHBondContact O-N 3.33Å; S261-R263 PolarHBondContact OG-N 3.09Å |
| 264 | T | 89 | Confident | 94.3 | Very high | 81 Ų | 81 | 65.4 Ų | 65.4 | 50% | 0.497 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -10.5 | -179.8 | 57.1 | 0 | 0 | 0 | 0 | 112.3 | S261 E266 | S261-T264 VanDerWaalsContact CB-OG1 3.22Å; S261-T264 WeakPolarHBondContact CB-OG1 3.5Å; S261-T264 PolarHBondContact OG-N 3.42Å; S261-T264 PolarHBondContact OG-OG1 3.34Å; S261-T264 VanDerWaalsContact OG-OG1 3.09Å; T264-E266 PolarHBondContact O-N 3.36Å |
| 265 | Q | 90.8 | Very high | 94.3 | Very high | 179 Ų | 179 | 67.3 Ų | 67.3 | 84% | 0.836 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 27.7 | -171.4 | -58.7 | -173.3 | -31.4 | 0 | 0 | 112.7 | S261 | S261-Q265 VanDerWaalsContact O-CA 3.31Å; S261-Q265 WeakPolarHBondContact O-CA 3.38Å; S261-Q265 PolarHBondContact O-N 3.42Å |
| 266 | E | 91.2 | Very high | 94.2 | Very high | 96 Ų | 96 | 70.1 Ų | 70.1 | 45% | 0.449 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 142.1 | 178.7 | -64.5 | -172.1 | 154.5 | 0 | 0 | 110.6 | S261 T264 R291 | S261-E266 PolarHBondContact N-O 3.3Å; S261-E266 PolarHBondContact O-N 2.96Å; T264-E266 PolarHBondContact O-N 3.36Å; E266-R291 IonicContact OE2-CZ 3.91Å; E266-R291 IonicContact OE2-NH1 2.72Å; E266-R291 IonicContact OE2-NH2 3.49Å; E266-R291 PolarHBondContact OE2-NH2 3.41Å |
| 267 | T | 94.8 | Very high | 93.9 | Very high | 92 Ų | 92 | 70.9 Ų | 70.9 | 56% | 0.564 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 133.9 | 170.5 | 56.8 | 0 | 0 | 0 | 0 | 109 | F258 E259 A260 | F258-T267 HydrophobicContact CZ-CG2 4.43Å; E259-T267 CarbonylContact O-C 3.57Å; E259-T267 WeakPolarHBondContact O-CA 3.18Å; A260-T267 HydrophobicContact CB-CG2 3.89Å |
| 268 | T | 94.8 | Very high | 93.6 | Very high | 20 Ų | 20 | 72.9 Ų | 72.9 | 12% | 0.123 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 125.2 | 179.1 | -51.1 | 0 | 0 | 0 | 0 | 108.8 | F258 E259 N289 R291 | F258-T268 WeakPolarHBondContact CA-O 2.99Å; E259-T268 PolarHBondContact N-O 3.04Å; E259-T268 PolarHBondContact O-N 2.92Å; T268-N289 HydrophobicContact CG2-CB 4.42Å; T268-R291 PolarHBondContact OG1-NE 3.46Å; T268-R291 PolarHBondContact OG1-NH2 3.06Å; T268-R291 VanDerWaalsContact OG1-NH2 3.15Å |
| 269 | A | 96.6 | Very high | 93.1 | Very high | 44 Ų | 44 | 77.8 Ų | 77.8 | 36% | 0.364 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 130.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | E257 F258 N289 S290 | E257-A269 CarbonylContact O-C 3.49Å; E257-A269 WeakPolarHBondContact O-CA 3.49Å; F258-A269 HydrophobicContact CD2-CB 4.23Å; A269-N289 CarbonylContact O-C 3.56Å; A269-N289 WeakPolarHBondContact O-CA 3.31Å; A269-S290 PolarHBondContact N-OG 2.8Å; A269-S290 VanDerWaalsContact N-OG 3.1Å; A269-S290 PolarHBondContact O-N 3.23Å |
| 270 | S | 96.6 | Very high | 92.8 | Very high | 16 Ų | 16 | 74.4 Ų | 74.4 | 11% | 0.112 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 132 | -178.6 | -60 | 0 | 0 | 0 | 0 | 109.3 | V256 E257 I288 | V256-S270 CarbonylContact C-O 3.55Å; V256-S270 WeakPolarHBondContact CA-O 3.47Å; E257-S270 PolarHBondContact N-O 2.99Å; E257-S270 PolarHBondContact O-N 3.04Å; S270-I288 WeakPolarHBondContact CA-O 3.33Å |
| 271 | F | 97.4 | Very high | 92.6 | Very high | 88 Ų | 88 | 76.7 Ų | 76.7 | 39% | 0.386 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 128.1 | 172 | 175.4 | -87.1 | 0 | 0 | 0 | 108.1 | V254 V256 Y273 M287 I288 | V254-F271 HydrophobicContact CG1-CD2 4.3Å; V254-F271 HydrophobicContact CG1-CE2 3.41Å; V254-F271 VanDerWaalsContact CG1-CE2 3.41Å; V254-F271 HydrophobicContact CG1-CZ 3.62Å; V256-F271 HydrophobicContact CG2-CD2 3.87Å; V256-F271 HydrophobicContact CG2-CE2 4.4Å; F271-Y273 HydrophobicContact CE1-CD1 4.09Å; F271-M287 CarbonylContact O-C 3.57Å; F271-M287 WeakPolarHBondContact O-CA 3.37Å; F271-I288 HydrophobicContact CB-CG2 3.89Å; F271-I288 HydrophobicContact CD1-CG2 4.08Å; F271-I288 HydrophobicContact CG-CG2 4.42Å; F271-I288 PolarHBondContact N-O 2.83Å; F271-I288 PolarHBondContact O-N 2.76Å |
| 272 | G | 96.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 77.1 Ų | 77.1 | 0% | 0 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 150.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | G255 G286 | G255-G272 PolarHBondContact N-O 3.44Å; G255-G272 PolarHBondContact O-N 3.22Å; G255-G272 VanDerWaalsContact O-O 3.07Å; G272-G286 CarbonylContact C-O 3.57Å; G272-G286 VanDerWaalsContact CA-O 3.25Å; G272-G286 WeakPolarHBondContact CA-O 3.44Å |
| 273 | Y | 96.5 | Very high | 92.9 | Very high | 68 Ų | 68 | 73.7 Ų | 73.7 | 27% | 0.267 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 151.5 | 172.7 | 71.3 | -90.3 | 0 | 0 | 0 | 111 | Q253 F271 M275 F284 R285 G286 | Q253-Y273 CarbonylContact O-C 3.56Å; Q253-Y273 VanDerWaalsContact O-CA 3.28Å; Q253-Y273 WeakPolarHBondContact O-CA 3.39Å; F271-Y273 HydrophobicContact CE1-CD1 4.09Å; Y273-M275 HydrophobicContact CD2-CE 3.72Å; Y273-M275 HydrophobicContact CD2-CG 3.8Å; Y273-M275 HydrophobicContact CD2-SD 4.16Å; Y273-M275 HydrophobicContact CE2-CE 3.43Å; Y273-M275 VanDerWaalsContact CE2-CE 3.43Å; Y273-M275 HydrophobicContact CE2-CG 3.86Å; Y273-M275 HydrophobicContact CE2-SD 3.67Å; Y273-F284 AromaticContact CE2-CD1 3.7Å; Y273-F284 HydrophobicContact CE2-CD1 3.7Å; Y273-F284 AromaticContact CE2-CE1 3.73Å; Y273-F284 HydrophobicContact CE2-CE1 3.73Å; Y273-F284 AromaticContact CZ-CE1 3.59Å; Y273-F284 WeakPolarHBondContact OH-CE1 3.2Å; Y273-R285 CarbonylContact O-C 3.59Å; Y273-R285 WeakPolarHBondContact O-CA 3.2Å; Y273-G286 PolarHBondContact N-O 3.42Å; Y273-G286 PolarHBondContact O-N 2.94Å |
| 274 | Q | 96.3 | Very high | 93.5 | Very high | 21 Ų | 21 | 66.9 Ų | 66.9 | 10% | 0.098 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 128.3 | 174.6 | 179.3 | -174.3 | -25.2 | 0 | 0 | 108.6 | V63 I252 Q253 V283 F284 R285 | V63-Q274 HydrophobicContact CG1-CB 3.99Å; I252-Q274 WeakPolarHBondContact CA-O 3.44Å; Q253-Q274 HydrophobicContact CB-CB 4.42Å; Q253-Q274 PolarHBondContact N-O 3.42Å; Q253-Q274 PolarHBondContact O-N 3.36Å; Q274-V283 HydrophobicContact CG-CG1 3.88Å; Q274-F284 CarbonylContact C-O 3.49Å; Q274-F284 WeakPolarHBondContact CA-O 3.42Å; Q274-R285 HydrophobicContact CB-CG 4.32Å; Q274-R285 HydrophobicContact CG-CG 4.06Å; Q274-R285 VanDerWaalsContact OE1-CZ 3.23Å; Q274-R285 VanDerWaalsContact OE1-NH2 3.12Å |
| 275 | M | 95.7 | Very high | 93.8 | Very high | 71 Ų | 71 | 64.7 Ų | 64.7 | 35% | 0.35 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 118.6 | 173.6 | -66.1 | 178.7 | 178.2 | 0 | 0 | 108.9 | Q251 I252 Y273 V283 F284 | Q251-M275 CarbonylContact O-C 3.51Å; Q251-M275 WeakPolarHBondContact O-CA 3.24Å; I252-M275 HydrophobicContact CG1-CG 4.35Å; Y273-M275 HydrophobicContact CD2-CE 3.72Å; Y273-M275 HydrophobicContact CD2-CG 3.8Å; Y273-M275 HydrophobicContact CD2-SD 4.16Å; Y273-M275 HydrophobicContact CE2-CE 3.43Å; Y273-M275 VanDerWaalsContact CE2-CE 3.43Å; Y273-M275 HydrophobicContact CE2-CG 3.86Å; Y273-M275 HydrophobicContact CE2-SD 3.67Å; M275-V283 WeakPolarHBondContact O-CA 3.29Å; M275-F284 HydrophobicContact CB-CB 4.5Å; M275-F284 PolarHBondContact N-O 2.84Å; M275-F284 PolarHBondContact O-N 2.77Å |
| 276 | D | 94.2 | Very high | 94.1 | Very high | 60 Ų | 60 | 56.2 Ų | 56.2 | 32% | 0.321 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 119.6 | 173.5 | -165.1 | -14.2 | 0 | 0 | 0 | 109.4 | Q251 P278 | Q251-D276 WeakPolarHBondContact CB-O 3.22Å; Q251-D276 WeakPolarHBondContact CG-O 3.33Å; Q251-D276 PolarHBondContact O-N 2.8Å; D276-P278 VanDerWaalsContact O-CD 3.26Å; D276-P278 WeakPolarHBondContact O-CD 3.23Å |
| 277 | L | 92.1 | Very high | 94.4 | Very high | 71 Ų | 71 | 52.9 Ų | 52.9 | 37% | 0.372 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 83.4 | -178.1 | -74 | 151.6 | 0 | 0 | 0 | 108.3 | E279 A280 N281 M282 | L277-E279 VanDerWaalsContact C-N 3.32Å; L277-E279 PolarHBondContact O-N 2.94Å; L277-A280 HydrophobicContact CB-CB 4.32Å; L277-A280 CarbonylContact O-C 3.45Å; L277-A280 PolarHBondContact O-N 3.12Å; L277-A280 VanDerWaalsContact O-N 3.11Å; L277-N281 PolarHBondContact O-N 2.81Å; L277-N281 VanDerWaalsContact O-N 3.08Å; L277-M282 WeakPolarHBondContact CA-O 3.37Å; L277-M282 HydrophobicContact CB-CB 4.38Å; L277-M282 WeakPolarHBondContact CB-O 3.32Å; L277-M282 HydrophobicContact CD1-CE 3.37Å; L277-M282 PolarHBondContact N-O 2.82Å; L277-M282 PolarHBondContact O-N 2.83Å; L277-M282 VanDerWaalsContact O-N 3.13Å |
| 278 | P | 88.8 | Confident | 94.5 | Very high | 74 Ų | 74 | 52.3 Ų | 52.3 | 48% | 0.481 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -64.3 | -35.5 | -174.1 | 23.6 | -33.9 | 0 | 0 | 0 | 112.6 | D276 A280 N281 | D276-P278 VanDerWaalsContact O-CD 3.26Å; D276-P278 WeakPolarHBondContact O-CD 3.23Å; P278-A280 PolarHBondContact O-N 3.3Å; P278-N281 PolarHBondContact O-N 2.95Å; P278-N281 PolarHBondContact O-OD1 3.42Å |
| 279 | E | 87.5 | Confident | 94.5 | Very high | 193 Ų | 193 | 52.4 Ų | 52.4 | 90% | 0.902 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -60.8 | -30.7 | 177 | -64.5 | 179.3 | -177.3 | 0 | 0 | 112.4 | L277 | L277-E279 VanDerWaalsContact C-N 3.32Å; L277-E279 PolarHBondContact O-N 2.94Å |
| 280 | A | 87.8 | Confident | 94.3 | Very high | 36 Ų | 36 | 53.6 Ų | 53.6 | 30% | 0.298 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -101.3 | 7.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L277 P278 M282 K300 | L277-A280 HydrophobicContact CB-CB 4.32Å; L277-A280 CarbonylContact O-C 3.45Å; L277-A280 PolarHBondContact O-N 3.12Å; L277-A280 VanDerWaalsContact O-N 3.11Å; P278-A280 PolarHBondContact O-N 3.3Å; A280-M282 HydrophobicContact CB-CB 4.08Å; A280-M282 WeakPolarHBondContact O-CB 3.45Å; A280-M282 PolarHBondContact O-N 3.03Å; A280-M282 VanDerWaalsContact O-N 3.15Å; A280-K300 WeakPolarHBondContact O-CD 3.46Å; A280-K300 WeakPolarHBondContact O-CE 3.44Å; A280-K300 PolarHBondContact O-NZ 2.8Å |
| 281 | N | 91.3 | Very high | 94.1 | Very high | 70 Ų | 70 | 57.6 Ų | 57.6 | 37% | 0.374 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.1 | 42.7 | -175.7 | -69.6 | -40 | 0 | 0 | 0 | 113.1 | L277 P278 R301 | L277-N281 PolarHBondContact O-N 2.81Å; L277-N281 VanDerWaalsContact O-N 3.08Å; P278-N281 PolarHBondContact O-N 2.95Å; P278-N281 PolarHBondContact O-OD1 3.42Å; N281-R301 HydrophobicContact CB-CB 4.24Å; N281-R301 PolarHBondContact O-N 3.38Å |
| 282 | M | 93.3 | Very high | 93.8 | Very high | 43 Ų | 43 | 56.6 Ų | 56.6 | 21% | 0.212 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 137.9 | -165.8 | -174 | 173.9 | 83.6 | 0 | 0 | 111.4 | L277 A280 L298 E299 K300 | L277-M282 WeakPolarHBondContact CA-O 3.37Å; L277-M282 HydrophobicContact CB-CB 4.38Å; L277-M282 WeakPolarHBondContact CB-O 3.32Å; L277-M282 HydrophobicContact CD1-CE 3.37Å; L277-M282 PolarHBondContact N-O 2.82Å; L277-M282 PolarHBondContact O-N 2.83Å; L277-M282 VanDerWaalsContact O-N 3.13Å; A280-M282 HydrophobicContact CB-CB 4.08Å; A280-M282 WeakPolarHBondContact O-CB 3.45Å; A280-M282 PolarHBondContact O-N 3.03Å; A280-M282 VanDerWaalsContact O-N 3.15Å; M282-L298 HydrophobicContact CE-CD1 3.89Å; M282-L298 HydrophobicContact CG-CD1 3.29Å; M282-L298 HydrophobicContact CG-CG 4.09Å; M282-L298 HydrophobicContact SD-CD1 3.33Å; M282-L298 WeakPolarHBondContact SD-CD1 3.42Å; M282-L298 HydrophobicContact SD-CD2 3.82Å; M282-L298 HydrophobicContact SD-CG 3.96Å; M282-E299 CarbonylContact C-O 3.56Å; M282-E299 VanDerWaalsContact CA-O 3.32Å; M282-E299 WeakPolarHBondContact CA-O 3.3Å; M282-K300 HydrophobicContact CB-CD 4.07Å; M282-K300 HydrophobicContact CG-CD 4.36Å |
| 283 | V | 95.1 | Very high | 93.7 | Very high | 21 Ų | 21 | 58 Ų | 58 | 13% | 0.127 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 123.8 | 173.4 | -178.5 | 0 | 0 | 0 | 0 | 108.2 | Q274 M275 R285 E299 | Q274-V283 HydrophobicContact CG-CG1 3.88Å; M275-V283 WeakPolarHBondContact O-CA 3.29Å; V283-R285 HydrophobicContact CG1-CG 4.41Å; V283-E299 HydrophobicContact CB-CB 4.42Å; V283-E299 PolarHBondContact N-O 2.92Å; V283-E299 PolarHBondContact O-N 3.01Å |
| 284 | F | 96.4 | Very high | 93.7 | Very high | 61 Ų | 61 | 58.3 Ų | 58.3 | 27% | 0.268 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 135.4 | 173.2 | -178.7 | -88.5 | 0 | 0 | 0 | 109.7 | Y273 Q274 M275 V297 L298 | Y273-F284 AromaticContact CE2-CD1 3.7Å; Y273-F284 HydrophobicContact CE2-CD1 3.7Å; Y273-F284 AromaticContact CE2-CE1 3.73Å; Y273-F284 HydrophobicContact CE2-CE1 3.73Å; Y273-F284 AromaticContact CZ-CE1 3.59Å; Y273-F284 WeakPolarHBondContact OH-CE1 3.2Å; Q274-F284 CarbonylContact C-O 3.49Å; Q274-F284 WeakPolarHBondContact CA-O 3.42Å; M275-F284 HydrophobicContact CB-CB 4.5Å; M275-F284 PolarHBondContact N-O 2.84Å; M275-F284 PolarHBondContact O-N 2.77Å; F284-V297 WeakPolarHBondContact CA-O 3.47Å; F284-L298 HydrophobicContact CB-CD1 3.9Å; F284-L298 HydrophobicContact CD2-CB 4.3Å; F284-L298 HydrophobicContact CD2-CD1 3.94Å; F284-L298 HydrophobicContact CG-CD1 4.43Å |
| 285 | R | 97.1 | Very high | 93.7 | Very high | 34 Ų | 34 | 57.9 Ų | 57.9 | 13% | 0.128 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 125.8 | 175.3 | -64.5 | 168.4 | 177.4 | -75.9 | 2.4 | 108.2 | D62 V63 P65 Y273 Q274 V283 G296 V297 | D62-R285 PolarHBondContact O-NH1 2.93Å; D62-R285 PolarHBondContact O-NH2 2.91Å; V63-R285 PolarHBondContact O-NH1 2.81Å; P65-R285 HydrophobicContact CB-CB 3.74Å; P65-R285 HydrophobicContact CG-CB 4.49Å; Y273-R285 CarbonylContact O-C 3.59Å; Y273-R285 WeakPolarHBondContact O-CA 3.2Å; Q274-R285 HydrophobicContact CB-CG 4.32Å; Q274-R285 HydrophobicContact CG-CG 4.06Å; Q274-R285 VanDerWaalsContact OE1-CZ 3.23Å; Q274-R285 VanDerWaalsContact OE1-NH2 3.12Å; V283-R285 HydrophobicContact CG1-CG 4.41Å; R285-G296 CarbonylContact O-C 3.54Å; R285-G296 WeakPolarHBondContact O-CA 3.39Å; R285-V297 PolarHBondContact N-O 3.06Å; R285-V297 PolarHBondContact O-N 2.78Å |
| 286 | G | 96.9 | Very high | 93.7 | Very high | 2 Ų | 2 | 55 Ų | 55 | 2% | 0.021 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 152.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | G272 Y273 G295 | G272-G286 CarbonylContact C-O 3.57Å; G272-G286 VanDerWaalsContact CA-O 3.25Å; G272-G286 WeakPolarHBondContact CA-O 3.44Å; Y273-G286 PolarHBondContact N-O 3.42Å; Y273-G286 PolarHBondContact O-N 2.94Å; G286-G295 CarbonylContact C-O 3.57Å; G286-G295 WeakPolarHBondContact CA-O 3.43Å |
| 287 | M | 96.8 | Very high | 93.8 | Very high | 25 Ų | 25 | 52.2 Ų | 52.2 | 12% | 0.123 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 154.4 | 170.4 | 69.5 | 177.8 | -70.5 | 0 | 0 | 113.1 | F64 P65 F271 I294 G295 F314 | F64-M287 HydrophobicContact CD1-CB 3.91Å; F64-M287 HydrophobicContact CD1-CE 4.34Å; F64-M287 HydrophobicContact CD1-SD 4.43Å; F64-M287 HydrophobicContact CE1-CB 4.36Å; P65-M287 HydrophobicContact CG-CB 3.89Å; P65-M287 HydrophobicContact CG-CG 3.54Å; P65-M287 HydrophobicContact CG-SD 3.78Å; F271-M287 CarbonylContact O-C 3.57Å; F271-M287 WeakPolarHBondContact O-CA 3.37Å; M287-I294 WeakPolarHBondContact O-CA 3.38Å; M287-G295 PolarHBondContact N-O 2.86Å; M287-G295 PolarHBondContact O-N 2.83Å; M287-F314 HydrophobicContact CG-CE1 4.2Å; M287-F314 HydrophobicContact SD-CE1 3.84Å |
| 288 | I | 96.4 | Very high | 94 | Very high | 80 Ų | 80 | 50.8 Ų | 50.8 | 41% | 0.41 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 140.8 | 167.8 | -177.7 | 165.2 | 0 | 0 | 0 | 108.7 | S270 F271 I293 I294 | S270-I288 WeakPolarHBondContact CA-O 3.33Å; F271-I288 HydrophobicContact CB-CG2 3.89Å; F271-I288 HydrophobicContact CD1-CG2 4.08Å; F271-I288 HydrophobicContact CG-CG2 4.42Å; F271-I288 PolarHBondContact N-O 2.83Å; F271-I288 PolarHBondContact O-N 2.76Å; I288-I293 WeakPolarHBondContact CA-O 3.45Å; I288-I294 HydrophobicContact CB-CG1 4.45Å; I288-I294 HydrophobicContact CD1-CD1 4.08Å; I288-I294 HydrophobicContact CD1-CG1 3.98Å; I288-I294 HydrophobicContact CG1-CG1 3.95Å |
| 289 | N | 94.5 | Very high | 94.3 | Very high | 23 Ų | 23 | 50.1 Ų | 50.1 | 12% | 0.123 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 167.3 | 175.2 | 71.5 | 15.8 | 0 | 0 | 0 | 113 | T268 A269 R291 C292 I293 | T268-N289 HydrophobicContact CG2-CB 4.42Å; A269-N289 CarbonylContact O-C 3.56Å; A269-N289 WeakPolarHBondContact O-CA 3.31Å; N289-R291 PolarHBondContact O-N 2.88Å; N289-R291 VanDerWaalsContact O-N 3.13Å; N289-R291 WeakPolarHBondContact OD1-CA 3.41Å; N289-R291 WeakPolarHBondContact OD1-CB 3.23Å; N289-R291 PolarHBondContact OD1-N 2.79Å; N289-R291 VanDerWaalsContact OD1-N 3.09Å; N289-C292 PolarHBondContact O-N 3.1Å; N289-C292 PolarHBondContact OD1-N 2.82Å; N289-I293 PolarHBondContact N-O 2.78Å; N289-I293 WeakPolarHBondContact OD1-CA 3Å; N289-I293 VanDerWaalsContact OD1-CB 3.3Å; N289-I293 WeakPolarHBondContact OD1-CB 3.25Å; N289-I293 PolarHBondContact OD1-N 2.8Å; N289-I293 PolarHBondContact OD1-O 3.15Å |
| 290 | S | 94 | Very high | 94.7 | Very high | 68 Ų | 68 | 44.2 Ų | 44.2 | 48% | 0.476 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -10.9 | 177.7 | 61.1 | 0 | 0 | 0 | 0 | 114.1 | A269 | A269-S290 PolarHBondContact N-OG 2.8Å; A269-S290 VanDerWaalsContact N-OG 3.1Å; A269-S290 PolarHBondContact O-N 3.23Å |
| 291 | R | 90.8 | Very high | 94.9 | Very high | 101 Ų | 101 | 49.3 Ų | 49.3 | 38% | 0.381 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | 9.2 | 173.3 | -59.8 | -178.8 | -174.3 | -157.5 | -8 | 112.5 | E266 T268 N289 I293 | E266-R291 IonicContact OE2-CZ 3.91Å; E266-R291 IonicContact OE2-NH1 2.72Å; E266-R291 IonicContact OE2-NH2 3.49Å; E266-R291 PolarHBondContact OE2-NH2 3.41Å; T268-R291 PolarHBondContact OG1-NE 3.46Å; T268-R291 PolarHBondContact OG1-NH2 3.06Å; T268-R291 VanDerWaalsContact OG1-NH2 3.15Å; N289-R291 PolarHBondContact O-N 2.88Å; N289-R291 VanDerWaalsContact O-N 3.13Å; N289-R291 WeakPolarHBondContact OD1-CA 3.41Å; N289-R291 WeakPolarHBondContact OD1-CB 3.23Å; N289-R291 PolarHBondContact OD1-N 2.79Å; N289-R291 VanDerWaalsContact OD1-N 3.09Å; R291-I293 HydrophobicContact CB-CD1 4.4Å; R291-I293 HydrophobicContact CB-CG1 4.21Å; R291-I293 PolarHBondContact O-N 2.88Å |
| 292 | C | 92.4 | Very high | 94.9 | Very high | 66 Ų | 66 | 49.2 Ų | 49.2 | 45% | 0.446 | 25% | 0.247 | S | C | . | . | S | Bend | trans | 59.7 | 32 | -175.7 | -53.6 | 0 | 0 | 0 | 0 | 113 | N289 H317 | N289-C292 PolarHBondContact O-N 3.1Å; N289-C292 PolarHBondContact OD1-N 2.82Å; C292-H317 HydrophobicContact CB-CB 4.15Å; C292-H317 PolarHBondContact O-CD2 2.8Å; C292-H317 PolarHBondContact O-N 3.08Å |
| 293 | I | 94.2 | Very high | 94.5 | Very high | 31 Ų | 31 | 52.2 Ų | 52.2 | 16% | 0.159 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 122.3 | 168.5 | -50.3 | 179.5 | 0 | 0 | 0 | 107.4 | I288 N289 R291 V315 N316 | I288-I293 WeakPolarHBondContact CA-O 3.45Å; N289-I293 PolarHBondContact N-O 2.78Å; N289-I293 WeakPolarHBondContact OD1-CA 3Å; N289-I293 VanDerWaalsContact OD1-CB 3.3Å; N289-I293 WeakPolarHBondContact OD1-CB 3.25Å; N289-I293 PolarHBondContact OD1-N 2.8Å; N289-I293 PolarHBondContact OD1-O 3.15Å; R291-I293 HydrophobicContact CB-CD1 4.4Å; R291-I293 HydrophobicContact CB-CG1 4.21Å; R291-I293 PolarHBondContact O-N 2.88Å; I293-V315 CarbonylContact C-O 3.56Å; I293-V315 VanDerWaalsContact CA-O 3.29Å; I293-V315 WeakPolarHBondContact CA-O 3.36Å; I293-N316 HydrophobicContact CG1-CB 4.05Å |
| 294 | I | 95.9 | Very high | 94 | Very high | 74 Ų | 74 | 57.6 Ų | 57.6 | 38% | 0.379 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 134.9 | 175.6 | -57.9 | 177.8 | 0 | 0 | 0 | 106.8 | M287 I288 F314 V315 | M287-I294 WeakPolarHBondContact O-CA 3.38Å; I288-I294 HydrophobicContact CB-CG1 4.45Å; I288-I294 HydrophobicContact CD1-CD1 4.08Å; I288-I294 HydrophobicContact CD1-CG1 3.98Å; I288-I294 HydrophobicContact CG1-CG1 3.95Å; I294-F314 CarbonylContact O-C 3.49Å; I294-F314 WeakPolarHBondContact O-CA 3.36Å; I294-V315 PolarHBondContact N-O 3.49Å; I294-V315 PolarHBondContact O-N 2.88Å |
| 295 | G | 95.8 | Very high | 93.5 | Very high | 11 Ų | 11 | 60 Ų | 60 | 11% | 0.113 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.1 | 168 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | G286 M287 A313 | G286-G295 CarbonylContact C-O 3.57Å; G286-G295 WeakPolarHBondContact CA-O 3.43Å; M287-G295 PolarHBondContact N-O 2.86Å; M287-G295 PolarHBondContact O-N 2.83Å; G295-A313 CarbonylContact C-O 3.54Å; G295-A313 WeakPolarHBondContact CA-O 3.26Å |
| 296 | G | 96.6 | Very high | 93.1 | Very high | 12 Ų | 12 | 62.6 Ų | 62.6 | 12% | 0.124 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 159.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | R285 G312 A313 | R285-G296 CarbonylContact O-C 3.54Å; R285-G296 WeakPolarHBondContact O-CA 3.39Å; G296-G312 VanDerWaalsContact O-CA 3.3Å; G296-G312 WeakPolarHBondContact O-CA 3.31Å; G296-A313 PolarHBondContact N-O 2.69Å; G296-A313 PolarHBondContact O-N 2.85Å |
| 297 | V | 96.9 | Very high | 92.9 | Very high | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.006 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 129.7 | 176.7 | 174.9 | 0 | 0 | 0 | 0 | 108.7 | P65 H66 I68 F284 R285 E299 I310 M311 F314 | P65-V297 HydrophobicContact CB-CB 3.95Å; P65-V297 HydrophobicContact CB-CG2 3.72Å; H66-V297 VanDerWaalsContact O-CG2 3.22Å; H66-V297 WeakPolarHBondContact O-CG2 3.34Å; I68-V297 HydrophobicContact CD1-CG1 4.12Å; I68-V297 HydrophobicContact CD1-CG2 4.36Å; F284-V297 WeakPolarHBondContact CA-O 3.47Å; R285-V297 PolarHBondContact N-O 3.06Å; R285-V297 PolarHBondContact O-N 2.78Å; V297-E299 HydrophobicContact CG1-CG 4.22Å; V297-I310 HydrophobicContact CG1-CG2 3.57Å; V297-M311 CarbonylContact C-O 3.51Å; V297-M311 VanDerWaalsContact CA-O 3.3Å; V297-M311 WeakPolarHBondContact CA-O 3.08Å; V297-F314 HydrophobicContact CG2-CE2 4.01Å; V297-F314 HydrophobicContact CG2-CZ 4.07Å |
| 298 | L | 96.1 | Very high | 92.7 | Very high | 41 Ų | 41 | 63.3 Ų | 63.3 | 22% | 0.215 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 118 | 172.8 | -172.6 | 62.6 | 0 | 0 | 0 | 109.7 | M282 F284 I310 M311 | M282-L298 HydrophobicContact CE-CD1 3.89Å; M282-L298 HydrophobicContact CG-CD1 3.29Å; M282-L298 HydrophobicContact CG-CG 4.09Å; M282-L298 HydrophobicContact SD-CD1 3.33Å; M282-L298 WeakPolarHBondContact SD-CD1 3.42Å; M282-L298 HydrophobicContact SD-CD2 3.82Å; M282-L298 HydrophobicContact SD-CG 3.96Å; F284-L298 HydrophobicContact CB-CD1 3.9Å; F284-L298 HydrophobicContact CD2-CB 4.3Å; F284-L298 HydrophobicContact CD2-CD1 3.94Å; F284-L298 HydrophobicContact CG-CD1 4.43Å; L298-I310 CarbonylContact O-C 3.56Å; L298-I310 WeakPolarHBondContact O-CA 3.34Å; L298-M311 HydrophobicContact CD2-CE 3.77Å; L298-M311 HydrophobicContact CG-CE 4.43Å; L298-M311 PolarHBondContact N-O 2.82Å; L298-M311 PolarHBondContact O-N 3.26Å |
| 299 | E | 95.4 | Very high | 92.6 | Very high | 60 Ų | 60 | 61.5 Ų | 61.5 | 28% | 0.28 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 116.6 | 171.3 | -65.5 | 176.3 | -164 | 0 | 0 | 108.5 | M282 V283 V297 T308 L309 I310 | M282-E299 CarbonylContact C-O 3.56Å; M282-E299 VanDerWaalsContact CA-O 3.32Å; M282-E299 WeakPolarHBondContact CA-O 3.3Å; V283-E299 HydrophobicContact CB-CB 4.42Å; V283-E299 PolarHBondContact N-O 2.92Å; V283-E299 PolarHBondContact O-N 3.01Å; V297-E299 HydrophobicContact CG1-CG 4.22Å; E299-T308 HydrophobicContact CB-CG2 4.36Å; E299-L309 CarbonylContact C-O 3.59Å; E299-L309 WeakPolarHBondContact CA-O 3.07Å; E299-I310 HydrophobicContact CG-CG1 4.23Å; E299-I310 HydrophobicContact CG-CG2 4.03Å |
| 300 | K | 94.8 | Very high | 92.7 | Very high | 68 Ų | 68 | 61.7 Ų | 61.7 | 30% | 0.296 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 116.5 | 178.3 | 175.6 | 68.2 | 177.3 | -165.3 | 0 | 108.8 | A280 M282 L302 T308 L309 | A280-K300 WeakPolarHBondContact O-CD 3.46Å; A280-K300 WeakPolarHBondContact O-CE 3.44Å; A280-K300 PolarHBondContact O-NZ 2.8Å; M282-K300 HydrophobicContact CB-CD 4.07Å; M282-K300 HydrophobicContact CG-CD 4.36Å; K300-L302 HydrophobicContact CG-CD2 4.23Å; K300-L302 PolarHBondContact O-N 3.06Å; K300-T308 WeakPolarHBondContact O-CA 3.37Å; K300-L309 PolarHBondContact N-O 3.19Å; K300-L309 PolarHBondContact O-N 3.16Å |
| 301 | R | 92.9 | Very high | 92.8 | Very high | 143 Ų | 143 | 62.1 Ų | 62.1 | 54% | 0.54 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 124 | 169.9 | -61.2 | -179.8 | -179.5 | 170.9 | 1.8 | 108.1 | N281 T308 | N281-R301 HydrophobicContact CB-CB 4.24Å; N281-R301 PolarHBondContact O-N 3.38Å; R301-T308 HydrophobicContact CG-CG2 4.22Å |
| 302 | L | 90.1 | Very high | 93 | Very high | 69 Ų | 69 | 57.5 Ų | 57.5 | 36% | 0.361 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 135.6 | 175.9 | -57.2 | 176.3 | 0 | 0 | 0 | 107.2 | K300 A307 L309 | K300-L302 HydrophobicContact CG-CD2 4.23Å; K300-L302 PolarHBondContact O-N 3.06Å; L302-A307 WeakPolarHBondContact CB-O 3.34Å; L302-A307 HydrophobicContact CD1-CB 4.33Å; L302-A307 PolarHBondContact N-O 2.95Å; L302-L309 HydrophobicContact CD1-CB 4.47Å |
| 303 | T | 85.2 | Confident | 93.2 | Very high | 105 Ų | 105 | 56.4 Ų | 56.4 | 64% | 0.644 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.3 | 130.5 | 171.3 | 47.8 | 0 | 0 | 0 | 0 | 106.3 | ||
| 304 | P | 84.2 | Confident | 93.2 | Very high | 134 Ų | 134 | 55.1 Ų | 55.1 | 87% | 0.87 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -95.4 | -0.5 | 17.9 | 36.4 | -36.8 | 0 | 0 | 0 | 116.6 | ||
| 305 | L | 87 | Confident | 93.1 | Very high | 113 Ų | 113 | 54 Ų | 54 | 59% | 0.592 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | 140.9 | -176.6 | -65 | 166.4 | 0 | 0 | 0 | 111.2 | A307 | L305-A307 HydrophobicContact CB-CB 4.27Å; L305-A307 PolarHBondContact O-N 3.49Å |
| 306 | P | 88 | Confident | 93 | Very high | 87 Ų | 87 | 55.5 Ų | 55.5 | 57% | 0.565 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | 62.3 | 172.3 | 33.7 | -36 | 0 | 0 | 0 | 110.4 | G331 | P306-G331 PolarHBondContact O-N 3.4Š|
| 307 | A | 92.3 | Very high | 92.7 | Very high | 12 Ų | 12 | 60.5 Ų | 60.5 | 10% | 0.099 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 137.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | L302 L305 N329 V330 | L302-A307 WeakPolarHBondContact CB-O 3.34Å; L302-A307 HydrophobicContact CD1-CB 4.33Å; L302-A307 PolarHBondContact N-O 2.95Å; L305-A307 HydrophobicContact CB-CB 4.27Å; L305-A307 PolarHBondContact O-N 3.49Å; A307-N329 CarbonylContact C-O 3.54Å; A307-N329 VanDerWaalsContact CA-O 3.26Å; A307-N329 WeakPolarHBondContact CA-O 3.47Å; A307-V330 HydrophobicContact CB-CG2 4.45Å |
| 308 | T | 93.8 | Very high | 92.4 | Very high | 30 Ų | 30 | 70.9 Ų | 70.9 | 18% | 0.184 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 119.7 | 173.4 | -54.5 | 0 | 0 | 0 | 0 | 108.8 | E299 K300 R301 I310 N329 | E299-T308 HydrophobicContact CB-CG2 4.36Å; K300-T308 WeakPolarHBondContact O-CA 3.37Å; R301-T308 HydrophobicContact CG-CG2 4.22Å; T308-I310 HydrophobicContact CG2-CG1 4.32Å; T308-N329 PolarHBondContact N-O 2.83Å; T308-N329 PolarHBondContact O-N 2.98Å |
| 309 | L | 94.8 | Very high | 92 | Very high | 42 Ų | 42 | 70.8 Ų | 70.8 | 22% | 0.22 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 133.5 | 170.7 | -175.5 | 67.9 | 0 | 0 | 0 | 108.8 | E299 K300 L302 M311 L326 V328 | E299-L309 CarbonylContact C-O 3.59Å; E299-L309 WeakPolarHBondContact CA-O 3.07Å; K300-L309 PolarHBondContact N-O 3.19Å; K300-L309 PolarHBondContact O-N 3.16Å; L302-L309 HydrophobicContact CD1-CB 4.47Å; L309-M311 HydrophobicContact CD2-CE 3.93Å; L309-M311 HydrophobicContact CD2-CG 4.38Å; L309-M311 HydrophobicContact CD2-SD 3.96Å; L309-M311 HydrophobicContact CG-CG 4.26Å; L309-M311 HydrophobicContact CG-SD 4.48Å; L309-L326 HydrophobicContact CD1-CD1 3.83Å; L309-V328 HydrophobicContact CD1-CG2 3.92Å |
| 310 | I | 95.6 | Very high | 91.7 | Very high | 27 Ų | 27 | 75.1 Ų | 75.1 | 14% | 0.138 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 124.6 | 179.3 | -48.3 | 178.3 | 0 | 0 | 0 | 107.4 | I68 V297 L298 E299 T308 L326 G327 | I68-I310 HydrophobicContact CD1-CB 4.3Å; I68-I310 HydrophobicContact CD1-CG2 3.24Å; V297-I310 HydrophobicContact CG1-CG2 3.57Å; L298-I310 CarbonylContact O-C 3.56Å; L298-I310 WeakPolarHBondContact O-CA 3.34Å; E299-I310 HydrophobicContact CG-CG1 4.23Å; E299-I310 HydrophobicContact CG-CG2 4.03Å; T308-I310 HydrophobicContact CG2-CG1 4.32Å; I310-L326 CarbonylContact O-C 3.57Å; I310-G327 PolarHBondContact N-O 3.35Å; I310-G327 PolarHBondContact O-N 2.56Å |
| 311 | M | 96 | Very high | 91.5 | Very high | 77 Ų | 77 | 79.1 Ų | 79.1 | 38% | 0.379 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 123.6 | 178.5 | -68.7 | 175.9 | -65.1 | 0 | 0 | 108.6 | V297 L298 L309 L326 | V297-M311 CarbonylContact C-O 3.51Å; V297-M311 VanDerWaalsContact CA-O 3.3Å; V297-M311 WeakPolarHBondContact CA-O 3.08Å; L298-M311 HydrophobicContact CD2-CE 3.77Å; L298-M311 HydrophobicContact CG-CE 4.43Å; L298-M311 PolarHBondContact N-O 2.82Å; L298-M311 PolarHBondContact O-N 3.26Å; L309-M311 HydrophobicContact CD2-CE 3.93Å; L309-M311 HydrophobicContact CD2-CG 4.38Å; L309-M311 HydrophobicContact CD2-SD 3.96Å; L309-M311 HydrophobicContact CG-CG 4.26Å; L309-M311 HydrophobicContact CG-SD 4.48Å; M311-L326 HydrophobicContact CG-CD1 3.51Å; M311-L326 HydrophobicContact SD-CD1 4.38Å |
| 312 | G | 95.8 | Very high | 91.4 | Very high | 4 Ų | 4 | 78.1 Ų | 78.1 | 4% | 0.041 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 142.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | G296 V324 G325 | G296-G312 VanDerWaalsContact O-CA 3.3Å; G296-G312 WeakPolarHBondContact O-CA 3.31Å; G312-V324 WeakPolarHBondContact O-CA 3.17Å; G312-G325 PolarHBondContact N-O 3.21Å; G312-G325 PolarHBondContact O-N 2.94Å |
| 313 | A | 95.3 | Very high | 91.5 | Very high | 44 Ų | 44 | 77.4 Ų | 77.4 | 36% | 0.364 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 134.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110 | G295 G296 Q323 V324 | G295-A313 CarbonylContact C-O 3.54Å; G295-A313 WeakPolarHBondContact CA-O 3.26Å; G296-A313 PolarHBondContact N-O 2.69Å; G296-A313 PolarHBondContact O-N 2.85Å; A313-Q323 CarbonylContact C-O 3.55Å; A313-Q323 WeakPolarHBondContact CA-O 3.22Å; A313-V324 HydrophobicContact CB-CG2 4.26Å |
| 314 | F | 94.8 | Very high | 91.9 | Very high | 4 Ų | 4 | 76.4 Ų | 76.4 | 2% | 0.018 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 127.5 | 178.4 | -65.6 | -98 | 0 | 0 | 0 | 109 | P65 Q67 M287 I294 V297 Q323 | P65-F314 HydrophobicContact CB-CE1 4.49Å; P65-F314 HydrophobicContact CB-CZ 4Å; P65-F314 HydrophobicContact CG-CE1 4.03Å; P65-F314 HydrophobicContact CG-CZ 4.05Å; Q67-F314 HydrophobicContact CB-CE2 4.18Å; Q67-F314 HydrophobicContact CB-CZ 4.24Å; Q67-F314 HydrophobicContact CG-CD1 3.82Å; Q67-F314 HydrophobicContact CG-CD2 4.08Å; Q67-F314 HydrophobicContact CG-CE1 3.56Å; Q67-F314 HydrophobicContact CG-CE2 3.87Å; Q67-F314 HydrophobicContact CG-CG 4.07Å; Q67-F314 HydrophobicContact CG-CZ 3.59Å; M287-F314 HydrophobicContact CG-CE1 4.2Å; M287-F314 HydrophobicContact SD-CE1 3.84Å; I294-F314 CarbonylContact O-C 3.49Å; I294-F314 WeakPolarHBondContact O-CA 3.36Å; V297-F314 HydrophobicContact CG2-CE2 4.01Å; V297-F314 HydrophobicContact CG2-CZ 4.07Å; F314-Q323 HydrophobicContact CB-CB 4.38Å; F314-Q323 PolarHBondContact N-O 3.09Å; F314-Q323 PolarHBondContact O-N 3.3Å |
| 315 | V | 94.4 | Very high | 92.4 | Very high | 49 Ų | 49 | 70.2 Ų | 70.2 | 30% | 0.297 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 121.2 | -178.7 | -176 | 0 | 0 | 0 | 0 | 108 | I293 I294 L322 | I293-V315 CarbonylContact C-O 3.56Å; I293-V315 VanDerWaalsContact CA-O 3.29Å; I293-V315 WeakPolarHBondContact CA-O 3.36Å; I294-V315 PolarHBondContact N-O 3.49Å; I294-V315 PolarHBondContact O-N 2.88Å; V315-L322 HydrophobicContact CG2-CD1 3.68Å |
| 316 | N | 93.2 | Very high | 92.8 | Very high | 43 Ų | 43 | 68.5 Ų | 68.5 | 23% | 0.23 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 102.1 | 167.7 | -179 | -10.5 | 0 | 0 | 0 | 108.8 | I293 R318 G319 D320 K321 | I293-N316 HydrophobicContact CG1-CB 4.05Å; N316-R318 VanDerWaalsContact C-N 3.3Å; N316-R318 PolarHBondContact O-N 2.79Å; N316-R318 PolarHBondContact OD1-N 2.92Å; N316-R318 VanDerWaalsContact OD1-N 3.08Å; N316-G319 PolarHBondContact OD1-N 2.93Å; N316-D320 WeakPolarHBondContact O-CA 3.47Å; N316-D320 PolarHBondContact O-N 2.95Å; N316-K321 HydrophobicContact CB-CB 4.41Å; N316-K321 PolarHBondContact N-O 3.07Å; N316-K321 PolarHBondContact O-N 2.92Å |
| 317 | H | 90.7 | Very high | 93.1 | Very high | 117 Ų | 117 | 64.6 Ų | 64.6 | 54% | 0.542 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -28.7 | -178.4 | -71.9 | -72.9 | 0 | 0 | 0 | 113.5 | C292 | C292-H317 HydrophobicContact CB-CB 4.15Å; C292-H317 PolarHBondContact O-CD2 2.8Å; C292-H317 PolarHBondContact O-N 3.08Å |
| 318 | R | 89.9 | Confident | 93.2 | Very high | 219 Ų | 219 | 66.5 Ų | 66.5 | 83% | 0.826 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -36.3 | -179.3 | -173.9 | 174.9 | -179.8 | 174.2 | -0.3 | 112 | N316 | N316-R318 VanDerWaalsContact C-N 3.3Å; N316-R318 PolarHBondContact O-N 2.79Å; N316-R318 PolarHBondContact OD1-N 2.92Å; N316-R318 VanDerWaalsContact OD1-N 3.08Å |
| 319 | G | 87.5 | Confident | 93.2 | Very high | 39 Ų | 39 | 67.2 Ų | 67.2 | 40% | 0.402 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -3.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | N316 K321 | N316-G319 PolarHBondContact OD1-N 2.93Å; G319-K321 VanDerWaalsContact C-N 3.33Å; G319-K321 PolarHBondContact O-N 3.19Å |
| 320 | D | 89.8 | Confident | 93.1 | Very high | 152 Ų | 152 | 67.7 Ų | 67.7 | 81% | 0.813 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.4 | 50.8 | -173 | -160.2 | 26.6 | 0 | 0 | 0 | 113.1 | N316 | N316-D320 WeakPolarHBondContact O-CA 3.47Å; N316-D320 PolarHBondContact O-N 2.95Å |
| 321 | K | 90.8 | Very high | 92.2 | Very high | 152 Ų | 152 | 70.5 Ų | 70.5 | 66% | 0.661 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 129.7 | 179.5 | -68.1 | -175.9 | -177.2 | -176.6 | 0 | 110.5 | N316 G319 | N316-K321 HydrophobicContact CB-CB 4.41Å; N316-K321 PolarHBondContact N-O 3.07Å; N316-K321 PolarHBondContact O-N 2.92Å; G319-K321 VanDerWaalsContact C-N 3.33Å; G319-K321 PolarHBondContact O-N 3.19Å |
| 322 | L | 90.8 | Very high | 92 | Very high | 122 Ų | 122 | 70.2 Ų | 70.2 | 64% | 0.639 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 129 | 172.6 | 173 | 67.6 | 0 | 0 | 0 | 109.1 | V315 V324 | V315-L322 HydrophobicContact CG2-CD1 3.68Å; L322-V324 HydrophobicContact CD1-CG2 3.71Å; L322-V324 HydrophobicContact CD2-CG2 4Å; L322-V324 HydrophobicContact CG-CG2 3.77Å |
| 323 | Q | 91.8 | Very high | 91.8 | Very high | 53 Ų | 53 | 73.6 Ų | 73.6 | 25% | 0.248 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 119.5 | 172.8 | -167.5 | -177.7 | 18.8 | 0 | 0 | 108.1 | E69 A313 F314 | E69-Q323 HydrophobicContact CB-CG 3.99Å; E69-Q323 HydrophobicContact CG-CG 3.77Å; E69-Q323 PolarHBondContact OE2-NE2 3Å; A313-Q323 CarbonylContact C-O 3.55Å; A313-Q323 WeakPolarHBondContact CA-O 3.22Å; F314-Q323 HydrophobicContact CB-CB 4.38Å; F314-Q323 PolarHBondContact N-O 3.09Å; F314-Q323 PolarHBondContact O-N 3.3Å |
| 324 | V | 93.7 | Very high | 91.7 | Very high | 85 Ų | 85 | 75.3 Ų | 75.3 | 52% | 0.515 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 141.2 | 179.3 | -179.4 | 0 | 0 | 0 | 0 | 108.7 | G70 G312 A313 L322 | G70-V324 PolarHBondContact N-O 3.15Å; G312-V324 WeakPolarHBondContact O-CA 3.17Å; A313-V324 HydrophobicContact CB-CG2 4.26Å; L322-V324 HydrophobicContact CD1-CG2 3.71Å; L322-V324 HydrophobicContact CD2-CG2 4Å; L322-V324 HydrophobicContact CG-CG2 3.77Å |
| 325 | G | 94.1 | Very high | 91.5 | Very high | 3 Ų | 3 | 79.5 Ų | 79.5 | 3% | 0.031 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 138.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | I68 G70 G312 | I68-G325 PolarHBondContact O-N 3.47Å; G70-G325 CarbonylContact O-C 3.46Å; G70-G325 VanDerWaalsContact O-CA 3.29Å; G70-G325 WeakPolarHBondContact O-CA 3.47Å; G312-G325 PolarHBondContact N-O 3.21Å; G312-G325 PolarHBondContact O-N 2.94Å |
| 326 | L | 95.5 | Very high | 91.3 | Very high | 78 Ų | 78 | 81.4 Ų | 81.4 | 41% | 0.408 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 132.4 | 168.4 | -175.6 | 68.7 | 0 | 0 | 0 | 108.1 | G70 V71 K72 L309 I310 M311 | G70-L326 PolarHBondContact O-N 3.43Å; V71-L326 CarbonylContact C-O 3.58Å; V71-L326 VanDerWaalsContact CA-O 3.23Å; V71-L326 WeakPolarHBondContact CA-O 3.14Å; K72-L326 PolarHBondContact N-O 3.43Å; L309-L326 HydrophobicContact CD1-CD1 3.83Å; I310-L326 CarbonylContact O-C 3.57Å; M311-L326 HydrophobicContact CG-CD1 3.51Å; M311-L326 HydrophobicContact SD-CD1 4.38Å |
| 327 | G | 94.3 | Very high | 91.2 | Very high | 4 Ų | 4 | 83.9 Ų | 83.9 | 4% | 0.041 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 147.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | K72 I310 | K72-G327 CarbonylContact O-C 3.54Å; K72-G327 WeakPolarHBondContact O-CA 3.2Å; I310-G327 PolarHBondContact N-O 3.35Å; I310-G327 PolarHBondContact O-N 2.56Å |
| 328 | V | 94.9 | Very high | 91.2 | Very high | 52 Ų | 52 | 81.6 Ų | 81.6 | 32% | 0.315 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 122.4 | 171.3 | -176.8 | 0 | 0 | 0 | 0 | 107.7 | K72 M73 I74 L309 V330 | K72-V328 PolarHBondContact O-N 2.97Å; M73-V328 CarbonylContact C-O 3.53Å; M73-V328 WeakPolarHBondContact CA-O 3.46Å; I74-V328 PolarHBondContact N-O 2.95Å; L309-V328 HydrophobicContact CD1-CG2 3.92Å; V328-V330 HydrophobicContact CG1-CG2 3.81Å |
| 329 | N | 93.4 | Very high | 91.3 | Very high | 46 Ų | 46 | 71 Ų | 71 | 25% | 0.246 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 120.4 | 171.1 | -175.6 | 5.9 | 0 | 0 | 0 | 108.8 | I74 N76 A307 T308 | I74-N329 HydrophobicContact CB-CB 4.4Å; I74-N329 CarbonylContact O-C 3.53Å; I74-N329 VanDerWaalsContact O-CA 3.32Å; I74-N329 WeakPolarHBondContact O-CA 3.23Å; I74-N329 PolarHBondContact O-OD1 3.13Å; N76-N329 PolarHBondContact ND2-OD1 3.44Å; A307-N329 CarbonylContact C-O 3.54Å; A307-N329 VanDerWaalsContact CA-O 3.26Å; A307-N329 WeakPolarHBondContact CA-O 3.47Å; T308-N329 PolarHBondContact N-O 2.83Å; T308-N329 PolarHBondContact O-N 2.98Å |
| 330 | V | 92 | Very high | 91.6 | Very high | 52 Ų | 52 | 73.7 Ų | 73.7 | 32% | 0.315 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 125.4 | 178.9 | -174.4 | 0 | 0 | 0 | 0 | 108.4 | I74 I75 N76 A307 V328 | I74-V330 PolarHBondContact O-N 3.09Å; I75-V330 CarbonylContact C-O 3.51Å; I75-V330 WeakPolarHBondContact CA-O 3.45Å; N76-V330 PolarHBondContact N-O 2.84Å; A307-V330 HydrophobicContact CB-CG2 4.45Å; V328-V330 HydrophobicContact CG1-CG2 3.81Å |
| 331 | G | 78.3 | Confident | 91.8 | Very high | 85 Ų | 85 | 66.5 Ų | 66.5 | 88% | 0.876 | 39% | 0.391 | S | S | * | . | trans | 169.6 | 0 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | N76 P306 | N76-G331 VanDerWaalsContact O-CA 3.27Å; N76-G331 WeakPolarHBondContact O-CA 3.39Å; P306-G331 PolarHBondContact O-N 3.4Å |
Retrieved 331 of 331 residues in 474.8 ms
(Link to these results)