| 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 | V | 53.2 | Low | 54.8 | Low | 162 Ų | 162 | 157.8 Ų | 157.8 | 98% | 0.982 | 78% | 0.775 | S | S | * | * | 0 | -40.7 | 0 | -165 | 0 | 0 | 0 | 0 | 113.3 | A3 | V1-A3 VanDerWaalsContact C-N 3.28Å; V1-A3 PolarHBondContact O-N 3.43Å | |||
| 2 | Q | 53.7 | Low | 53.6 | Low | 198 Ų | 198 | 155.5 Ų | 155.5 | 93% | 0.925 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | -2.4 | 175.9 | -70 | -179.2 | -13.6 | 0 | 0 | 115.3 | ||
| 3 | A | 56.3 | Low | 53.6 | Low | 79 Ų | 79 | 154.7 Ų | 154.7 | 65% | 0.653 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | -16 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | V1 | V1-A3 VanDerWaalsContact C-N 3.28Å; V1-A3 PolarHBondContact O-N 3.43Å |
| 4 | E | 55.7 | Low | 52.8 | Low | 144 Ų | 144 | 157.3 Ų | 157.3 | 67% | 0.673 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -88.7 | -19.9 | -173.4 | -79.7 | 171.6 | 134.9 | 0 | 0 | 114.5 | K6 | E4-K6 VanDerWaalsContact C-N 3.35Å; E4-K6 PolarHBondContact O-N 3.37Å |
| 5 | I | 59.4 | Low | 52 | Low | 138 Ų | 138 | 158 Ų | 158 | 71% | 0.708 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -17.1 | -174.7 | -59.2 | 174.6 | 0 | 0 | 0 | 112.1 | ||
| 6 | K | 58.9 | Low | 51.5 | Low | 180 Ų | 180 | 153.5 Ų | 153.5 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | -22.6 | 175.9 | -101.3 | 179.8 | 176.5 | 178.6 | 0 | 113.9 | E4 | E4-K6 VanDerWaalsContact C-N 3.35Å; E4-K6 PolarHBondContact O-N 3.37Å |
| 7 | Q | 55.6 | Low | 51 | Low | 151 Ų | 151 | 151.5 Ų | 151.5 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -17 | -178.4 | -70.9 | -168.2 | 1.2 | 0 | 0 | 114.3 | R9 | Q7-R9 VanDerWaalsContact C-N 3.28Å; Q7-R9 PolarHBondContact O-N 3.35Å |
| 8 | V | 55 | Low | 50.5 | Low | 116 Ų | 116 | 154.7 Ų | 154.7 | 70% | 0.703 | 79% | 0.792 | S | S | * | * | G | 310 helix | trans | -75.6 | -20.2 | 175.1 | -176.9 | 0 | 0 | 0 | 0 | 111.6 | Q10 | V8-Q10 PolarHBondContact O-N 3.22Š|
| 9 | R | 49.9 | Very low | 49.7 | Very low | 220 Ų | 220 | 157.3 Ų | 157.3 | 83% | 0.83 | 80% | 0.797 | S | S | * | * | G | 310 helix | trans | -80.1 | -7.9 | -177.8 | -103.7 | -179.3 | 172.8 | -177.2 | -2.1 | 115.8 | Q7 | Q7-R9 VanDerWaalsContact C-N 3.28Å; Q7-R9 PolarHBondContact O-N 3.35Å |
| 10 | Q | 54 | Low | 49.1 | Very low | 163 Ų | 163 | 156.6 Ų | 156.6 | 76% | 0.762 | 80% | 0.801 | S | S | * | * | G | 310 helix | trans | -110.5 | -3.4 | -177.7 | -71.7 | -179.4 | -12.1 | 0 | 0 | 114.5 | V8 | V8-Q10 PolarHBondContact O-N 3.22Š|
| 11 | K | 51.2 | Low | 48.9 | Very low | 185 Ų | 185 | 157.9 Ų | 157.9 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | 8.2 | -171.4 | -95.1 | -177.8 | 177.2 | 178 | 0 | 116.9 | ||
| 12 | T | 40.9 | Very low | 48.2 | Very low | 130 Ų | 130 | 155.5 Ų | 155.5 | 80% | 0.798 | 79% | 0.792 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.3 | 23.5 | -178.8 | 56.7 | 0 | 0 | 0 | 0 | 115.1 | ||
| 13 | I | 52.7 | Low | 47.4 | Very low | 145 Ų | 145 | 156 Ų | 156 | 74% | 0.744 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -101 | -1.1 | 179.7 | -65.7 | 175.6 | 0 | 0 | 0 | 113.9 | ||
| 14 | K | 42.3 | Very low | 46.4 | Very low | 191 Ų | 191 | 161.5 Ų | 161.5 | 83% | 0.83 | 80% | 0.8 | S | S | * | * | trans | -128.6 | 97.3 | -179.8 | -78.5 | -179.3 | 176.9 | 178.5 | 0 | 111.8 | ||||
| 15 | N | 42 | Very low | 45.6 | Very low | 168 Ų | 168 | 163.9 Ų | 163.9 | 90% | 0.898 | 81% | 0.811 | S | S | * | * | trans | 170.8 | 133.1 | 147.8 | -85.4 | -14.1 | 0 | 0 | 0 | 106.1 | ||||
| 16 | A | 44 | Very low | 44.7 | Very low | 86 Ų | 86 | 166.6 Ų | 166.6 | 71% | 0.711 | 82% | 0.818 | S | S | * | * | cis | -171.2 | 126.6 | -12.3 | 0 | 0 | 0 | 0 | 0 | 101.6 | K18 | A16-K18 PolarHBondContact O-N 3.15Š| ||
| 17 | S | 42.4 | Very low | 44.2 | Very low | 120 Ų | 120 | 165.3 Ų | 165.3 | 84% | 0.839 | 82% | 0.818 | S | S | * | * | trans | -52.3 | 128.4 | 173.7 | 49.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 18 | K | 42.6 | Very low | 44.3 | Very low | 209 Ų | 209 | 161.3 Ų | 161.3 | 91% | 0.909 | 80% | 0.804 | S | S | * | * | trans | -142.3 | 112.5 | 149 | -106.5 | 177.8 | -178.3 | 177.8 | 0 | 109.4 | A16 | A16-K18 PolarHBondContact O-N 3.15Š| ||
| 19 | K | 35.4 | Very low | 44.2 | Very low | 204 Ų | 204 | 159 Ų | 159 | 89% | 0.887 | 79% | 0.791 | S | S | * | * | trans | -57.8 | 137.4 | 169.8 | -79.6 | 172.7 | 168.9 | 177.8 | 0 | 111.1 | ||||
| 20 | T | 37.4 | Very low | 44.7 | Very low | 142 Ų | 142 | 156.6 Ų | 156.6 | 87% | 0.871 | 79% | 0.787 | S | S | * | * | trans | -165.7 | 108 | 140.8 | 42 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 21 | E | 45.1 | Very low | 45.3 | Very low | 184 Ų | 184 | 154.7 Ų | 154.7 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | trans | -78 | 178.7 | 162 | -65.3 | 179.7 | 158.1 | 0 | 0 | 110.2 | ||||
| 22 | P | 37.1 | Very low | 46.1 | Very low | 113 Ų | 113 | 152.7 Ų | 152.7 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | -123.7 | 127.5 | -55.4 | 32.2 | -17.3 | 0 | 0 | 0 | 109.2 | |||||
| 23 | K | 38.5 | Very low | 47.5 | Very low | 208 Ų | 208 | 151.8 Ų | 151.8 | 90% | 0.904 | 76% | 0.756 | S | S | * | * | trans | -133.9 | 106.2 | 175 | -77.6 | -175.1 | 179.7 | 174.8 | 0 | 112.1 | ||||
| 24 | K | 34.9 | Very low | 48.7 | Very low | 195 Ų | 195 | 148.4 Ų | 148.4 | 85% | 0.848 | 74% | 0.741 | S | S | * | * | trans | 41.5 | 113.8 | 145.4 | -80 | 177.1 | 173.6 | 177.9 | 0 | 116.3 | K26 | K24-K26 PolarHBondContact O-N 2.91Š| ||
| 25 | Q | 39 | Very low | 50.5 | Low | 194 Ų | 194 | 144.5 Ų | 144.5 | 91% | 0.907 | 72% | 0.724 | S | S | * | * | trans | -26.3 | 93.4 | 156.6 | -65.8 | 167.9 | -5.5 | 0 | 0 | 111.4 | I27 | Q25-I27 PolarHBondContact O-N 3.2Å; Q25-I27 VanDerWaalsContact O-N 3.08Å | ||
| 26 | K | 40.6 | Very low | 52.4 | Low | 195 Ų | 195 | 139.2 Ų | 139.2 | 85% | 0.848 | 70% | 0.704 | S | S | * | * | trans | -72 | 103.7 | 164.9 | -92.4 | 180 | 175.9 | 174.4 | 0 | 105.3 | K24 V28 | K24-K26 PolarHBondContact O-N 2.91Å; K26-V28 VanDerWaalsContact C-N 3.25Å; K26-V28 PolarHBondContact O-N 3.15Å | ||
| 27 | I | 48.1 | Very low | 54.2 | Low | 152 Ų | 152 | 139.1 Ų | 139.1 | 78% | 0.779 | 70% | 0.695 | S | S | * | * | trans | -47.8 | 98.3 | 161.9 | -63.2 | 158.6 | 0 | 0 | 0 | 105.8 | Q25 | Q25-I27 PolarHBondContact O-N 3.2Å; Q25-I27 VanDerWaalsContact O-N 3.08Å | ||
| 28 | V | 56.7 | Low | 56.3 | Low | 68 Ų | 68 | 140.3 Ų | 140.3 | 41% | 0.412 | 69% | 0.685 | S | S | . | * | trans | -59.1 | 122.7 | 170.5 | -176.3 | 0 | 0 | 0 | 0 | 103.8 | K26 K30 K32 E33 | K26-V28 VanDerWaalsContact C-N 3.25Å; K26-V28 PolarHBondContact O-N 3.15Å; V28-K30 PolarHBondContact O-N 3.33Å; V28-K32 HydrophobicContact CG1-CB 4.05Å; V28-E33 HydrophobicContact CB-CG 4.43Å; V28-E33 HydrophobicContact CG1-CG 4.06Å | ||
| 29 | P | 52.9 | Low | 58.3 | Low | 66 Ų | 66 | 137.7 Ų | 137.7 | 43% | 0.429 | 67% | 0.673 | S | S | . | * | trans | -55.6 | 121.6 | -176.8 | 19.7 | -30.4 | 0 | 0 | 0 | 106.7 | E31 K32 | P29-E31 CarbonylContact O-C 3.5Å; P29-E31 PolarHBondContact O-N 3.18Å; P29-K32 HydrophobicContact CG-CB 4.45Å; P29-K32 HydrophobicContact CG-CD 3.83Å; P29-K32 HydrophobicContact CG-CG 3.97Å; P29-K32 PolarHBondContact O-N 3.28Å | ||
| 30 | K | 60.6 | Low | 60.7 | Low | 171 Ų | 171 | 131 Ų | 131 | 74% | 0.743 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -45.9 | -27.6 | -174 | -74.7 | 177 | 176.5 | 174.7 | 0 | 112.2 | V28 K32 V34 | V28-K30 PolarHBondContact O-N 3.33Å; K30-K32 PolarHBondContact O-N 3.05Å; K30-V34 WeakPolarHBondContact O-CB 2.95Å; K30-V34 WeakPolarHBondContact O-CG2 3.48Å; K30-V34 PolarHBondContact O-N 3.18Å |
| 31 | E | 67.6 | Low | 63.1 | Low | 123 Ų | 123 | 128.3 Ų | 128.3 | 58% | 0.575 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -55.4 | -41.8 | 169.5 | -89.3 | -154.4 | 106.8 | 0 | 0 | 116.4 | P29 V34 K35 | P29-E31 CarbonylContact O-C 3.5Å; P29-E31 PolarHBondContact O-N 3.18Å; E31-V34 PolarHBondContact O-N 2.84Å; E31-K35 WeakPolarHBondContact O-CB 3.48Å; E31-K35 WeakPolarHBondContact O-CG 3.47Å; E31-K35 PolarHBondContact O-N 3.37Å; E31-K35 WeakPolarHBondContact OE1-CE 3.13Å; E31-K35 IonicContact OE1-NZ 3.1Å; E31-K35 PolarHBondContact OE1-NZ 3.36Å; E31-K35 IonicContact OE2-NZ 2.84Å |
| 32 | K | 67 | Low | 65 | Low | 142 Ų | 142 | 121.9 Ų | 121.9 | 62% | 0.617 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -70.3 | -39.8 | -177.9 | -74.5 | -176.8 | -176 | -179 | 0 | 111.3 | V28 P29 K30 K35 A36 | V28-K32 HydrophobicContact CG1-CB 4.05Å; P29-K32 HydrophobicContact CG-CB 4.45Å; P29-K32 HydrophobicContact CG-CD 3.83Å; P29-K32 HydrophobicContact CG-CG 3.97Å; P29-K32 PolarHBondContact O-N 3.28Å; K30-K32 PolarHBondContact O-N 3.05Å; K32-K35 PolarHBondContact O-N 3.21Å; K32-A36 WeakPolarHBondContact O-CB 3.44Å; K32-A36 PolarHBondContact O-N 3.33Å |
| 33 | E | 71.3 | Confident | 67.2 | Low | 112 Ų | 112 | 120.5 Ų | 120.5 | 52% | 0.523 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -65.7 | -44.7 | 172.3 | -69.3 | -175.5 | 165.4 | 0 | 0 | 111.1 | V28 K35 A36 V37 | V28-E33 HydrophobicContact CB-CG 4.43Å; V28-E33 HydrophobicContact CG1-CG 4.06Å; E33-K35 VanDerWaalsContact C-N 3.31Å; E33-K35 PolarHBondContact O-N 2.77Å; E33-A36 PolarHBondContact O-N 3.49Å; E33-A36 VanDerWaalsContact O-N 3.16Å; E33-V37 WeakPolarHBondContact O-CB 3.31Å; E33-V37 VanDerWaalsContact O-CG2 3.28Å; E33-V37 WeakPolarHBondContact O-CG2 3.18Å; E33-V37 PolarHBondContact O-N 2.93Å |
| 34 | V | 76.7 | Confident | 69.3 | Low | 73 Ų | 73 | 116.8 Ų | 116.8 | 44% | 0.442 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -61.1 | -38.8 | 176.1 | 172.6 | 0 | 0 | 0 | 0 | 111.4 | K30 E31 K38 | K30-V34 WeakPolarHBondContact O-CB 2.95Å; K30-V34 WeakPolarHBondContact O-CG2 3.48Å; K30-V34 PolarHBondContact O-N 3.18Å; E31-V34 PolarHBondContact O-N 2.84Å; V34-K38 HydrophobicContact CG1-CD 4.2Å; V34-K38 WeakPolarHBondContact O-CB 3.44Å; V34-K38 VanDerWaalsContact O-CG 3.25Å; V34-K38 WeakPolarHBondContact O-CG 3.2Å; V34-K38 PolarHBondContact O-N 3.07Å |
| 35 | K | 80.4 | Confident | 71.5 | Confident | 109 Ų | 109 | 114.3 Ų | 114.3 | 47% | 0.474 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -67.7 | -39.4 | 175.4 | -75.3 | 166.7 | -172.1 | 163.8 | 0 | 111.9 | E31 K32 E33 K39 | E31-K35 WeakPolarHBondContact O-CB 3.48Å; E31-K35 WeakPolarHBondContact O-CG 3.47Å; E31-K35 PolarHBondContact O-N 3.37Å; E31-K35 WeakPolarHBondContact OE1-CE 3.13Å; E31-K35 IonicContact OE1-NZ 3.1Å; E31-K35 PolarHBondContact OE1-NZ 3.36Å; E31-K35 IonicContact OE2-NZ 2.84Å; K32-K35 PolarHBondContact O-N 3.21Å; E33-K35 VanDerWaalsContact C-N 3.31Å; E33-K35 PolarHBondContact O-N 2.77Å; K35-K39 WeakPolarHBondContact O-CG 3.44Å; K35-K39 PolarHBondContact O-N 3.43Å |
| 36 | A | 81.4 | Confident | 73.3 | Confident | 58 Ų | 58 | 112.7 Ų | 112.7 | 48% | 0.479 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -67 | -45.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | K32 E33 K38 K39 A40 | K32-A36 WeakPolarHBondContact O-CB 3.44Å; K32-A36 PolarHBondContact O-N 3.33Å; E33-A36 PolarHBondContact O-N 3.49Å; E33-A36 VanDerWaalsContact O-N 3.16Å; A36-K38 PolarHBondContact O-N 3.35Å; A36-K39 PolarHBondContact O-N 3.47Å; A36-A40 WeakPolarHBondContact O-CB 3.35Å; A36-A40 PolarHBondContact O-N 3.02Å |
| 37 | V | 83 | Confident | 74.8 | Confident | 84 Ų | 84 | 108.4 Ų | 108.4 | 51% | 0.509 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.1 | -43.4 | 175.6 | 175.1 | 0 | 0 | 0 | 0 | 110.6 | E33 K39 A40 L41 | E33-V37 WeakPolarHBondContact O-CB 3.31Å; E33-V37 VanDerWaalsContact O-CG2 3.28Å; E33-V37 WeakPolarHBondContact O-CG2 3.18Å; E33-V37 PolarHBondContact O-N 2.93Å; V37-K39 PolarHBondContact O-N 3.19Å; V37-A40 PolarHBondContact O-N 2.84Å; V37-L41 HydrophobicContact CG1-CD1 3.82Å; V37-L41 HydrophobicContact CG1-CG 4.15Å; V37-L41 WeakPolarHBondContact O-CB 3.21Å; V37-L41 WeakPolarHBondContact O-CG 3.31Å; V37-L41 PolarHBondContact O-N 2.81Å |
| 38 | K | 85.4 | Confident | 75.9 | Confident | 144 Ų | 144 | 106.3 Ų | 106.3 | 63% | 0.626 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -59.8 | -42.2 | 174.6 | -78.9 | 177.4 | -179.5 | -178.7 | 0 | 112.4 | V34 A36 A42 | V34-K38 HydrophobicContact CG1-CD 4.2Å; V34-K38 WeakPolarHBondContact O-CB 3.44Å; V34-K38 VanDerWaalsContact O-CG 3.25Å; V34-K38 WeakPolarHBondContact O-CG 3.2Å; V34-K38 PolarHBondContact O-N 3.07Å; A36-K38 PolarHBondContact O-N 3.35Å; K38-A42 WeakPolarHBondContact O-CB 3.12Å; K38-A42 PolarHBondContact O-N 3.04Å |
| 39 | K | 86 | Confident | 76.3 | Confident | 154 Ų | 154 | 111.4 Ų | 111.4 | 67% | 0.67 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.8 | -46.1 | 175.7 | -74.4 | 178.9 | -179.5 | -175.5 | 0 | 111.7 | K35 A36 V37 L41 A42 V43 | K35-K39 WeakPolarHBondContact O-CG 3.44Å; K35-K39 PolarHBondContact O-N 3.43Å; A36-K39 PolarHBondContact O-N 3.47Å; V37-K39 PolarHBondContact O-N 3.19Å; K39-L41 PolarHBondContact O-N 3.03Å; K39-A42 PolarHBondContact O-N 3.17Å; K39-V43 WeakPolarHBondContact O-CG2 2.93Å; K39-V43 PolarHBondContact O-N 3.17Å |
| 40 | A | 85 | Confident | 76.7 | Confident | 63 Ų | 63 | 112.3 Ų | 112.3 | 52% | 0.521 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -61.8 | -42.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A36 V37 A42 V43 K44 | A36-A40 WeakPolarHBondContact O-CB 3.35Å; A36-A40 PolarHBondContact O-N 3.02Å; V37-A40 PolarHBondContact O-N 2.84Å; A40-A42 PolarHBondContact O-N 3.31Å; A40-V43 PolarHBondContact O-N 3.4Å; A40-K44 WeakPolarHBondContact O-CB 3.14Å; A40-K44 PolarHBondContact O-N 3.25Å |
| 41 | L | 87.4 | Confident | 76.7 | Confident | 86 Ų | 86 | 108 Ų | 108 | 45% | 0.45 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64.7 | -37.2 | 175 | -70.9 | 175.9 | 0 | 0 | 0 | 112.2 | V37 K39 K45 | V37-L41 HydrophobicContact CG1-CD1 3.82Å; V37-L41 HydrophobicContact CG1-CG 4.15Å; V37-L41 WeakPolarHBondContact O-CB 3.21Å; V37-L41 WeakPolarHBondContact O-CG 3.31Å; V37-L41 PolarHBondContact O-N 2.81Å; K39-L41 PolarHBondContact O-N 3.03Å; L41-K45 WeakPolarHBondContact O-CB 3.46Å; L41-K45 VanDerWaalsContact O-CG 3.28Å; L41-K45 WeakPolarHBondContact O-CG 3.03Å; L41-K45 PolarHBondContact O-N 3.49Å |
| 42 | A | 85.5 | Confident | 76.2 | Confident | 50 Ų | 50 | 112.2 Ų | 112.2 | 41% | 0.413 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -66.8 | -42.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | K38 K39 A40 K45 K46 | K38-A42 WeakPolarHBondContact O-CB 3.12Å; K38-A42 PolarHBondContact O-N 3.04Å; K39-A42 PolarHBondContact O-N 3.17Å; A40-A42 PolarHBondContact O-N 3.31Å; A42-K45 PolarHBondContact O-N 3.02Å; A42-K46 PolarHBondContact O-N 3.25Å |
| 43 | V | 83.9 | Confident | 75.8 | Confident | 83 Ų | 83 | 109.9 Ų | 109.9 | 50% | 0.503 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -64.8 | -45.5 | 174.8 | 173.6 | 0 | 0 | 0 | 0 | 110.6 | K39 A40 K45 K46 I47 | K39-V43 WeakPolarHBondContact O-CG2 2.93Å; K39-V43 PolarHBondContact O-N 3.17Å; A40-V43 PolarHBondContact O-N 3.4Å; V43-K45 VanDerWaalsContact C-N 3.34Å; V43-K45 PolarHBondContact O-N 3.45Å; V43-K46 PolarHBondContact O-N 2.75Å; V43-K46 VanDerWaalsContact O-N 3.13Å; V43-I47 HydrophobicContact CG1-CD1 3.69Å; V43-I47 HydrophobicContact CG1-CG1 4.34Å; V43-I47 WeakPolarHBondContact O-CG1 3.43Å; V43-I47 PolarHBondContact O-N 3.41Å |
| 44 | K | 82.6 | Confident | 75.3 | Confident | 130 Ų | 130 | 109.5 Ų | 109.5 | 57% | 0.565 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -56.3 | -46.2 | 174.1 | -175.9 | 177.9 | 179.1 | 178.9 | 0 | 111.6 | A40 K46 I47 I48 | A40-K44 WeakPolarHBondContact O-CB 3.14Å; A40-K44 PolarHBondContact O-N 3.25Å; K44-K46 PolarHBondContact O-N 3.23Å; K44-I47 PolarHBondContact O-N 3.13Å; K44-I48 HydrophobicContact CG-CD1 3.79Å; K44-I48 WeakPolarHBondContact O-CB 3.42Å; K44-I48 WeakPolarHBondContact O-CD1 3.3Å; K44-I48 VanDerWaalsContact O-CG1 3.22Å; K44-I48 WeakPolarHBondContact O-CG1 3.44Å; K44-I48 PolarHBondContact O-N 3.03Å |
| 45 | K | 80.3 | Confident | 74.8 | Confident | 144 Ų | 144 | 114.5 Ų | 114.5 | 63% | 0.626 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -62.4 | -39.9 | 175.9 | -76.7 | 176.7 | -178.6 | -177.4 | 0 | 112.3 | L41 A42 V43 K49 | L41-K45 WeakPolarHBondContact O-CB 3.46Å; L41-K45 VanDerWaalsContact O-CG 3.28Å; L41-K45 WeakPolarHBondContact O-CG 3.03Å; L41-K45 PolarHBondContact O-N 3.49Å; A42-K45 PolarHBondContact O-N 3.02Å; V43-K45 VanDerWaalsContact C-N 3.34Å; V43-K45 PolarHBondContact O-N 3.45Å; K45-K49 WeakPolarHBondContact O-CB 3.48Å; K45-K49 WeakPolarHBondContact O-CG 3.25Å; K45-K49 PolarHBondContact O-N 2.99Å |
| 46 | K | 76.5 | Confident | 74.6 | Confident | 160 Ų | 160 | 118.4 Ų | 118.4 | 70% | 0.696 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -65.6 | -46.4 | 176.5 | -80.2 | -175.4 | 177.9 | -176 | 0 | 111.9 | A42 V43 K44 I48 K49 S50 | A42-K46 PolarHBondContact O-N 3.25Å; V43-K46 PolarHBondContact O-N 2.75Å; V43-K46 VanDerWaalsContact O-N 3.13Å; K44-K46 PolarHBondContact O-N 3.23Å; K46-I48 PolarHBondContact O-N 3.49Å; K46-K49 PolarHBondContact O-N 2.91Å; K46-S50 VanDerWaalsContact O-CB 3.23Å; K46-S50 WeakPolarHBondContact O-CB 3.29Å; K46-S50 PolarHBondContact O-N 3.11Å; K46-S50 PolarHBondContact O-OG 2.94Å |
| 47 | I | 72.9 | Confident | 74.5 | Confident | 104 Ų | 104 | 126.6 Ų | 126.6 | 53% | 0.533 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -61.7 | -44.6 | 179.1 | -66 | 166.3 | 0 | 0 | 0 | 111.2 | V43 K44 K49 S50 A51 | V43-I47 HydrophobicContact CG1-CD1 3.69Å; V43-I47 HydrophobicContact CG1-CG1 4.34Å; V43-I47 WeakPolarHBondContact O-CG1 3.43Å; V43-I47 PolarHBondContact O-N 3.41Å; K44-I47 PolarHBondContact O-N 3.13Å; I47-K49 VanDerWaalsContact C-N 3.34Å; I47-K49 PolarHBondContact O-N 3.46Å; I47-S50 PolarHBondContact O-N 2.67Å; I47-S50 PolarHBondContact O-OG 2.78Å; I47-A51 PolarHBondContact O-N 3.2Å |
| 48 | I | 70.4 | Confident | 74.6 | Confident | 109 Ų | 109 | 131.6 Ų | 131.6 | 56% | 0.559 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -65.1 | -38.6 | 178.6 | -66.2 | 167.2 | 0 | 0 | 0 | 111.2 | K44 K46 | K44-I48 HydrophobicContact CG-CD1 3.79Å; K44-I48 WeakPolarHBondContact O-CB 3.42Å; K44-I48 WeakPolarHBondContact O-CD1 3.3Å; K44-I48 VanDerWaalsContact O-CG1 3.22Å; K44-I48 WeakPolarHBondContact O-CG1 3.44Å; K44-I48 PolarHBondContact O-N 3.03Å; K46-I48 PolarHBondContact O-N 3.49Å |
| 49 | K | 66.5 | Low | 74.7 | Confident | 174 Ų | 174 | 130.9 Ų | 130.9 | 76% | 0.757 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -79.8 | -30.7 | 179.3 | -72.1 | -171 | 176.7 | -168.6 | 0 | 113.4 | K45 K46 I47 | K45-K49 WeakPolarHBondContact O-CB 3.48Å; K45-K49 WeakPolarHBondContact O-CG 3.25Å; K45-K49 PolarHBondContact O-N 2.99Å; K46-K49 PolarHBondContact O-N 2.91Å; I47-K49 VanDerWaalsContact C-N 3.34Å; I47-K49 PolarHBondContact O-N 3.46Å |
| 50 | S | 61.4 | Low | 74.8 | Confident | 86 Ų | 86 | 132.1 Ų | 132.1 | 60% | 0.601 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -77.8 | -24.2 | -177.6 | 64.1 | 0 | 0 | 0 | 0 | 113.3 | K46 I47 R52 | K46-S50 VanDerWaalsContact O-CB 3.23Å; K46-S50 WeakPolarHBondContact O-CB 3.29Å; K46-S50 PolarHBondContact O-N 3.11Å; K46-S50 PolarHBondContact O-OG 2.94Å; I47-S50 PolarHBondContact O-N 2.67Å; I47-S50 PolarHBondContact O-OG 2.78Å; S50-R52 VanDerWaalsContact C-N 3.31Å; S50-R52 PolarHBondContact O-N 3.17Å |
| 51 | A | 59 | Low | 75.1 | Confident | 80 Ų | 80 | 136.1 Ų | 136.1 | 66% | 0.661 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | -12.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | I47 T53 | I47-A51 PolarHBondContact O-N 3.2Å; A51-T53 PolarHBondContact O-N 2.68Å |
| 52 | R | 57.4 | Low | 75.3 | Confident | 212 Ų | 212 | 135.1 Ų | 135.1 | 80% | 0.8 | 67% | 0.669 | S | S | * | * | trans | -97.8 | 68.8 | 170.2 | -81.8 | -177.2 | 178.1 | 166.1 | -0.3 | 110.2 | S50 T54 | S50-R52 VanDerWaalsContact C-N 3.31Å; S50-R52 PolarHBondContact O-N 3.17Å; R52-T54 PolarHBondContact O-N 3.25Å | ||
| 53 | T | 58.4 | Low | 75.7 | Confident | 92 Ų | 92 | 140.3 Ų | 140.3 | 56% | 0.564 | 70% | 0.695 | S | S | * | * | trans | -63.8 | 95.1 | 147.1 | 45 | 0 | 0 | 0 | 0 | 106.1 | A51 F55 | A51-T53 PolarHBondContact O-N 2.68Å; T53-F55 WeakPolarHBondContact O-CD2 3.29Å; T53-F55 PolarHBondContact O-N 3.04Å; T53-F55 WeakPolarHBondContact OG1-CE2 3.41Å | ||
| 54 | T | 62 | Low | 76.2 | Confident | 105 Ų | 105 | 145.7 Ų | 145.7 | 64% | 0.644 | 71% | 0.706 | S | S | * | * | trans | -62.6 | 92.4 | 174.1 | 50.7 | 0 | 0 | 0 | 0 | 107.3 | R52 K56 | R52-T54 PolarHBondContact O-N 3.25Å; T54-K56 PolarHBondContact O-N 2.84Å | ||
| 55 | F | 64.8 | Low | 76.7 | Confident | 177 Ų | 177 | 146.6 Ų | 146.6 | 78% | 0.776 | 71% | 0.71 | S | S | * | * | trans | -64.2 | 88.8 | 168.7 | -67.4 | -76.5 | 0 | 0 | 0 | 106.9 | T53 R57 | T53-F55 WeakPolarHBondContact O-CD2 3.29Å; T53-F55 PolarHBondContact O-N 3.04Å; T53-F55 WeakPolarHBondContact OG1-CE2 3.41Å; F55-R57 VanDerWaalsContact C-N 3.35Å; F55-R57 PolarHBondContact O-N 2.85Å | ||
| 56 | K | 76.9 | Confident | 77.3 | Confident | 191 Ų | 191 | 148.7 Ų | 148.7 | 83% | 0.83 | 71% | 0.714 | S | S | * | * | trans | -64.5 | 99.2 | 171.9 | -72.7 | -174.9 | 179.7 | -179.2 | 0 | 106.6 | T54 | T54-K56 PolarHBondContact O-N 2.84Š| ||
| 57 | R | 80.1 | Confident | 78.1 | Confident | 231 Ų | 231 | 150 Ų | 150 | 87% | 0.872 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -61 | 139.1 | 174.8 | -65.3 | -179.1 | -178.8 | 158.5 | -0.3 | 108.3 | F55 V59 | F55-R57 VanDerWaalsContact C-N 3.35Å; F55-R57 PolarHBondContact O-N 2.85Å; R57-V59 PolarHBondContact O-N 3.43Å; R57-V59 VanDerWaalsContact O-N 3.15Å |
| 58 | K | 84.5 | Confident | 79.1 | Confident | 188 Ų | 188 | 149 Ų | 149 | 82% | 0.817 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 118.4 | 172.8 | -68 | -175.9 | -179.6 | -178.1 | 0 | 108.4 | R60 | K58-R60 PolarHBondContact O-N 2.89Š|
| 59 | V | 86.5 | Confident | 80.2 | Confident | 130 Ų | 130 | 156 Ų | 156 | 79% | 0.788 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 124.2 | 176.8 | -179.2 | 0 | 0 | 0 | 0 | 108.5 | R57 | R57-V59 PolarHBondContact O-N 3.43Å; R57-V59 VanDerWaalsContact O-N 3.15Å |
| 60 | R | 89.1 | Confident | 81.6 | Confident | 180 Ų | 180 | 151.1 Ų | 151.1 | 68% | 0.679 | 72% | 0.719 | S | S | * | * | trans | -99.1 | 115.6 | 171 | -61.8 | -66.8 | -174.7 | 146.1 | 2.4 | 106.7 | K58 S62 | K58-R60 PolarHBondContact O-N 2.89Å; R60-S62 VanDerWaalsContact C-N 3.28Å | ||
| 61 | T | 92 | Very high | 83.3 | Confident | 147 Ų | 147 | 155.7 Ų | 155.7 | 90% | 0.902 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -81.5 | -8.8 | 179.5 | 51.1 | 0 | 0 | 0 | 0 | 113.2 | ||
| 62 | S | 91 | Very high | 85 | Confident | 65 Ų | 65 | 161.6 Ų | 161.6 | 46% | 0.455 | 73% | 0.734 | S | S | . | * | trans | -122.7 | 140.4 | 178.5 | -175.4 | 0 | 0 | 0 | 0 | 110.5 | R60 R64 | R60-S62 VanDerWaalsContact C-N 3.28Å; S62-R64 VanDerWaalsContact C-N 3.28Å; S62-R64 PolarHBondContact O-N 2.73Å; S62-R64 PolarHBondContact OG-N 3.44Å | ||
| 63 | V | 92.8 | Very high | 86.8 | Confident | 159 Ų | 159 | 156 Ų | 156 | 96% | 0.964 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -70.2 | -26 | 175.8 | -174.4 | 0 | 0 | 0 | 0 | 111.6 | ||
| 64 | R | 95.1 | Very high | 88.7 | Confident | 195 Ų | 195 | 160.8 Ų | 160.8 | 74% | 0.736 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -86.7 | 122.7 | -177.5 | -172.7 | 173.7 | -178.6 | 171.3 | 2.4 | 111.5 | S62 R66 | S62-R64 VanDerWaalsContact C-N 3.28Å; S62-R64 PolarHBondContact O-N 2.73Å; S62-R64 PolarHBondContact OG-N 3.44Å; R64-R66 PolarHBondContact O-N 3.1Å |
| 65 | F | 93.1 | Very high | 90.3 | Very high | 149 Ų | 149 | 167.4 Ų | 167.4 | 65% | 0.654 | 75% | 0.751 | S | S | * | * | trans | -67.3 | 128 | 168.8 | -175.3 | -98.6 | 0 | 0 | 0 | 110.7 | ||||
| 66 | R | 92.7 | Very high | 91.7 | Very high | 188 Ų | 188 | 166 Ų | 166 | 71% | 0.709 | 75% | 0.752 | S | S | * | * | trans | -111.5 | 132.5 | 172.2 | -62.5 | -177.8 | -176.3 | -116.9 | 3.7 | 108.5 | R64 | R64-R66 PolarHBondContact O-N 3.1Š| ||
| 67 | R | 92.8 | Very high | 92.6 | Very high | 189 Ų | 189 | 160.8 Ų | 160.8 | 71% | 0.713 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 125.1 | 172.5 | 179.6 | 179.5 | 173.1 | -175.1 | 0.2 | 108.6 | ||
| 68 | P | 94.2 | Very high | 93.4 | Very high | 82 Ų | 82 | 159.7 Ų | 159.7 | 53% | 0.532 | 74% | 0.739 | S | S | . | * | P | Polyproline II helix | trans | -61 | 142.8 | 177.8 | 25.8 | -33.6 | 0 | 0 | 0 | 109.5 | T70 | P68-T70 PolarHBondContact O-N 3.31Å; P68-T70 VanDerWaalsContact O-N 3.13Å |
| 69 | R | 95 | Very high | 93.9 | Very high | 255 Ų | 255 | 157.9 Ų | 157.9 | 96% | 0.962 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 120.9 | 169.4 | -65.9 | -173.4 | -179.1 | -170.7 | 1.6 | 106.9 | ||
| 70 | T | 95.3 | Very high | 94.3 | Very high | 73 Ų | 73 | 158.4 Ų | 158.4 | 45% | 0.448 | 73% | 0.726 | S | S | . | * | trans | -105.8 | 152.6 | 179.4 | 38.2 | 0 | 0 | 0 | 0 | 108.2 | P68 R72 | P68-T70 PolarHBondContact O-N 3.31Å; P68-T70 VanDerWaalsContact O-N 3.13Å; T70-R72 PolarHBondContact O-N 3.43Å | ||
| 71 | F | 95.8 | Very high | 94.6 | Very high | 182 Ų | 182 | 158.8 Ų | 158.8 | 80% | 0.798 | 73% | 0.727 | S | S | * | * | trans | -59.1 | 129.6 | 173.9 | 177.4 | -113.9 | 0 | 0 | 0 | 109.9 | P73 | F71-P73 HydrophobicContact CE1-CB 3.79Å; F71-P73 HydrophobicContact CE1-CG 4.48Å; F71-P73 HydrophobicContact CZ-CB 4.24Å | ||
| 72 | R | 95.6 | Very high | 94.7 | Very high | 203 Ų | 203 | 157.6 Ų | 157.6 | 77% | 0.766 | 71% | 0.71 | S | S | * | * | trans | -113.6 | 103 | 175 | -67.8 | -177.4 | 179.2 | -179.1 | -1.3 | 107.6 | T70 | T70-R72 PolarHBondContact O-N 3.43Š| ||
| 73 | P | 95.8 | Very high | 94.9 | Very high | 96 Ų | 96 | 160.6 Ų | 160.6 | 62% | 0.623 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 150.1 | -177.8 | 25.1 | -33 | 0 | 0 | 0 | 111.3 | F71 | F71-P73 HydrophobicContact CE1-CB 3.79Å; F71-P73 HydrophobicContact CE1-CG 4.48Å; F71-P73 HydrophobicContact CZ-CB 4.24Å |
| 74 | K | 97 | Very high | 95 | Very high | 192 Ų | 192 | 155.9 Ų | 155.9 | 84% | 0.835 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 153.3 | 170.6 | -67.9 | -177.6 | -179.3 | 177.6 | 0 | 109.7 | N76 | K74-N76 PolarHBondContact O-N 3.1Š|
| 75 | R | 96.1 | Very high | 95 | Very high | 243 Ų | 243 | 152.6 Ų | 152.6 | 92% | 0.917 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 117.1 | 178.2 | -67.5 | -177.2 | 175.3 | -175.2 | -1.7 | 110 | P77 | R75-P77 WeakPolarHBondContact O-CD 3.46Š|
| 76 | N | 94.2 | Very high | 95.1 | Very high | 149 Ų | 149 | 154.7 Ų | 154.7 | 80% | 0.797 | 72% | 0.716 | S | S | * | * | trans | -115.6 | 87.7 | 171.9 | -68.2 | -7.6 | 0 | 0 | 0 | 109 | K74 | K74-N76 PolarHBondContact O-N 3.1Š| ||
| 77 | P | 95.9 | Very high | 95.1 | Very high | 80 Ų | 80 | 156.3 Ų | 156.3 | 52% | 0.519 | 72% | 0.722 | S | S | . | * | trans | -71 | 139.4 | -178.4 | 31 | -34.6 | 0 | 0 | 0 | 110.9 | R75 Y79 | R75-P77 WeakPolarHBondContact O-CD 3.46Å; P77-Y79 PolarHBondContact O-N 2.96Å | ||
| 78 | K | 96.5 | Very high | 95 | Very high | 209 Ų | 209 | 154.4 Ų | 154.4 | 91% | 0.909 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -68.2 | -24.2 | 177.5 | -173.2 | 173.1 | 180 | 179.1 | 0 | 113.2 | ||
| 79 | Y | 95.5 | Very high | 94.8 | Very high | 149 Ų | 149 | 160.4 Ų | 160.4 | 58% | 0.584 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -142.9 | 151.8 | 179.8 | 57.1 | -90.9 | 0 | 0 | 0 | 110.5 | P77 R81 | P77-Y79 PolarHBondContact O-N 2.96Å; Y79-R81 VanDerWaalsContact CZ-NH1 3.33Å; Y79-R81 PolarHBondContact OH-NH1 2.92Å |
| 80 | L | 94.5 | Very high | 94.8 | Very high | 142 Ų | 142 | 151.3 Ų | 151.3 | 74% | 0.743 | 71% | 0.708 | S | S | * | * | trans | -67.5 | 137.1 | 174.2 | -61.6 | 176.3 | 0 | 0 | 0 | 110 | K82 | L80-K82 VanDerWaalsContact C-N 3.27Å; L80-K82 WeakPolarHBondContact CB-O 3.37Å; L80-K82 PolarHBondContact O-N 3.4Å | ||
| 81 | R | 95 | Very high | 94.6 | Very high | 187 Ų | 187 | 151.2 Ų | 151.2 | 71% | 0.706 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -73.5 | -19.8 | -179.9 | -61.1 | -61.2 | -177.2 | 177.9 | -4.5 | 113.6 | Y79 | Y79-R81 VanDerWaalsContact CZ-NH1 3.33Å; Y79-R81 PolarHBondContact OH-NH1 2.92Å |
| 82 | K | 95.9 | Very high | 94.6 | Very high | 122 Ų | 122 | 147.1 Ų | 147.1 | 53% | 0.53 | 69% | 0.685 | S | S | . | * | S | Bend | trans | -137.4 | 142.2 | 176.8 | -66 | -179.6 | -179.9 | 170.3 | 0 | 107.2 | L80 A84 | L80-K82 VanDerWaalsContact C-N 3.27Å; L80-K82 WeakPolarHBondContact CB-O 3.37Å; L80-K82 PolarHBondContact O-N 3.4Å; K82-A84 VanDerWaalsContact C-N 3.34Å |
| 83 | S | 95 | Very high | 94.4 | Very high | 129 Ų | 129 | 144.7 Ų | 144.7 | 90% | 0.902 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -64 | -39.5 | 179.1 | 50.1 | 0 | 0 | 0 | 0 | 112.2 | ||
| 84 | A | 94.6 | Very high | 94.3 | Very high | 60 Ų | 60 | 142.5 Ų | 142.5 | 50% | 0.496 | 67% | 0.667 | S | S | . | * | S | Bend | trans | -135.2 | 152 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | K82 | K82-A84 VanDerWaalsContact C-N 3.34Š|
| 85 | P | 94.4 | Very high | 94.3 | Very high | 125 Ų | 125 | 133.3 Ų | 133.3 | 81% | 0.812 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 149 | 170 | 28.7 | -34 | 0 | 0 | 0 | 110.8 | ||
| 86 | R | 95 | Very high | 94.2 | Very high | 194 Ų | 194 | 122 Ų | 122 | 73% | 0.732 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 133.2 | 176 | -71.1 | -177.7 | 172.1 | 175.4 | -4 | 109.4 | ||
| 87 | R | 93.3 | Very high | 94.2 | Very high | 221 Ų | 221 | 119.9 Ų | 119.9 | 83% | 0.834 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 146.3 | 168.4 | 66.4 | 178.2 | 179.6 | 141.6 | -2.7 | 111.3 | R89 | R87-R89 PolarHBondContact O-N 2.98Š|
| 88 | N | 90.9 | Very high | 94 | Very high | 150 Ų | 150 | 119.3 Ų | 119.3 | 80% | 0.802 | 56% | 0.558 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 116.2 | 171.6 | -71 | -21.8 | 0 | 0 | 0 | 108.9 | L90 | N88-L90 VanDerWaalsContact C-N 3.33Š|
| 89 | R | 90.6 | Very high | 93.9 | Very high | 208 Ų | 208 | 109.8 Ų | 109.8 | 79% | 0.785 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -82.4 | -10.9 | 179.1 | -62.6 | -176.8 | -175.7 | 168.5 | -3.2 | 113.7 | R87 S94 | R87-R89 PolarHBondContact O-N 2.98Å; R89-S94 PolarHBondContact O-OG 2.98Å |
| 90 | L | 93.2 | Very high | 93.8 | Very high | 63 Ų | 63 | 103.3 Ų | 103.3 | 33% | 0.33 | 49% | 0.494 | S | S | . | . | trans | -105.3 | 73.2 | 176.5 | -69.2 | 174.6 | 0 | 0 | 0 | 108.4 | N88 H120 K122 | N88-L90 VanDerWaalsContact C-N 3.33Å; L90-H120 HydrophobicContact CD2-CB 4.41Å; L90-K122 HydrophobicContact CD1-CB 4.01Å | ||
| 91 | D | 92.7 | Very high | 93.8 | Very high | 71 Ų | 71 | 99.7 Ų | 99.7 | 38% | 0.38 | 48% | 0.478 | S | S | . | . | trans | -82.8 | 173.9 | 170.2 | 65.2 | -15.5 | 0 | 0 | 0 | 111 | F93 S94 V95 | D91-F93 VanDerWaalsContact C-N 3.27Å; D91-F93 PolarHBondContact O-N 3.12Å; D91-S94 PolarHBondContact O-N 2.87Å; D91-S94 VanDerWaalsContact O-N 3.12Å; D91-S94 WeakPolarHBondContact OD1-CB 3.29Å; D91-S94 PolarHBondContact OD1-N 2.8Å; D91-S94 PolarHBondContact OD1-OG 2.79Å; D91-V95 VanDerWaalsContact O-CG2 3.24Å; D91-V95 WeakPolarHBondContact O-CG2 3.14Å; D91-V95 PolarHBondContact O-N 3.15Å | ||
| 92 | Y | 94.2 | Very high | 93.7 | Very high | 96 Ų | 96 | 93.5 Ų | 93.5 | 38% | 0.376 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61 | -36.9 | -175.3 | -59.5 | -55.3 | 0 | 0 | 0 | 112.6 | V95 I96 L127 A130 A131 K134 | Y92-V95 PolarHBondContact O-N 2.88Å; Y92-I96 PolarHBondContact O-N 2.89Å; Y92-L127 HydrophobicContact CE1-CD1 4.49Å; Y92-A130 HydrophobicContact CE1-CB 4.17Å; Y92-A131 HydrophobicContact CD1-CB 3.74Å; Y92-A131 HydrophobicContact CG-CB 4.38Å; Y92-K134 HydrophobicContact CD2-CB 4.11Å; Y92-K134 HydrophobicContact CD2-CG 4.27Å; Y92-K134 HydrophobicContact CE2-CB 4.28Å; Y92-K134 HydrophobicContact CE2-CG 3.91Å; Y92-K134 HydrophobicContact CG-CB 4.36Å |
| 93 | F | 93 | Very high | 93.7 | Very high | 153 Ų | 153 | 96.1 Ų | 96.1 | 67% | 0.671 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -68.1 | -36 | 174.7 | -59.7 | -76.7 | 0 | 0 | 0 | 112.9 | D91 V95 L135 | D91-F93 VanDerWaalsContact C-N 3.27Å; D91-F93 PolarHBondContact O-N 3.12Å; F93-V95 VanDerWaalsContact C-N 3.33Å; F93-L135 HydrophobicContact CD1-CD1 4.34Å; F93-L135 HydrophobicContact CD1-CD2 3.71Å; F93-L135 HydrophobicContact CE1-CD2 3.36Å; F93-L135 HydrophobicContact CE2-CD2 4.23Å; F93-L135 HydrophobicContact CG-CD2 4.29Å; F93-L135 HydrophobicContact CZ-CD2 3.64Å |
| 94 | S | 93.9 | Very high | 93.7 | Very high | 49 Ų | 49 | 93.3 Ų | 93.3 | 34% | 0.343 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -74.1 | -26 | 173.6 | -61.4 | 0 | 0 | 0 | 0 | 112.7 | R89 D91 H120 | R89-S94 PolarHBondContact O-OG 2.98Å; D91-S94 PolarHBondContact O-N 2.87Å; D91-S94 VanDerWaalsContact O-N 3.12Å; D91-S94 WeakPolarHBondContact OD1-CB 3.29Å; D91-S94 PolarHBondContact OD1-N 2.8Å; D91-S94 PolarHBondContact OD1-OG 2.79Å; S94-H120 WeakPolarHBondContact O-CB 2.92Å |
| 95 | V | 96.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 90.6 Ų | 90.6 | 0% | 0 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -69.6 | -53.7 | 179.5 | 168.3 | 0 | 0 | 0 | 0 | 110.4 | D91 Y92 F93 V119 H120 A123 L127 I128 A131 | D91-V95 VanDerWaalsContact O-CG2 3.24Å; D91-V95 WeakPolarHBondContact O-CG2 3.14Å; D91-V95 PolarHBondContact O-N 3.15Å; Y92-V95 PolarHBondContact O-N 2.88Å; F93-V95 VanDerWaalsContact C-N 3.33Å; V95-V119 HydrophobicContact CG1-CG1 4.12Å; V95-V119 CarbonylContact O-C 3.59Å; V95-V119 VanDerWaalsContact O-CA 3.23Å; V95-V119 WeakPolarHBondContact O-CA 3.02Å; V95-V119 WeakPolarHBondContact O-CG1 3.42Å; V95-H120 PolarHBondContact O-N 3.41Å; V95-A123 HydrophobicContact CG1-CB 3.89Å; V95-A123 HydrophobicContact CG2-CB 4.49Å; V95-L127 HydrophobicContact CG1-CG 4.35Å; V95-L127 HydrophobicContact CG2-CD1 4.35Å; V95-L127 HydrophobicContact CG2-CD2 3.6Å; V95-L127 HydrophobicContact CG2-CG 3.78Å; V95-I128 HydrophobicContact CG1-CG1 4.17Å; V95-A131 HydrophobicContact CB-CB 4.14Å; V95-A131 HydrophobicContact CG1-CB 3.83Å |
| 96 | I | 94.6 | Very high | 93.8 | Very high | 6 Ų | 6 | 87.6 Ų | 87.6 | 3% | 0.031 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 114 | 179.3 | -60.6 | 176.5 | 0 | 0 | 0 | 108.5 | Y92 F117 A131 V132 L135 Y136 | Y92-I96 PolarHBondContact O-N 2.89Å; I96-F117 HydrophobicContact CG2-CB 4.37Å; I96-F117 HydrophobicContact CG2-CD1 3.58Å; I96-F117 HydrophobicContact CG2-CE1 4.1Å; I96-F117 HydrophobicContact CG2-CG 4.11Å; I96-A131 HydrophobicContact CD1-CB 3.71Å; I96-A131 HydrophobicContact CG1-CB 3.93Å; I96-V132 HydrophobicContact CD1-CB 4.17Å; I96-V132 HydrophobicContact CD1-CG2 3.45Å; I96-V132 VanDerWaalsContact CD1-CG2 3.45Å; I96-L135 HydrophobicContact CB-CD1 4.3Å; I96-L135 HydrophobicContact CD1-CD1 4.19Å; I96-Y136 HydrophobicContact CD1-CE2 4.31Å; I96-Y136 HydrophobicContact CG2-CE2 4.35Å |
| 97 | K | 93.4 | Very high | 93.8 | Very high | 103 Ų | 103 | 84.5 Ų | 84.5 | 45% | 0.448 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | -58.3 | -178.5 | -62 | -175.3 | 174.5 | -172 | 0 | 111.9 | L118 | K97-L118 WeakPolarHBondContact CB-O 3.33Å; K97-L118 PolarHBondContact N-O 3.36Å |
| 98 | H | 92.3 | Very high | 94 | Very high | 68 Ų | 68 | 77.9 Ų | 77.9 | 32% | 0.315 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.4 | 156.3 | 178.8 | 48.8 | -91.6 | 0 | 0 | 0 | 109.7 | L118 | H98-L118 WeakPolarHBondContact NE2-CD1 3.34Å; H98-L118 PolarHBondContact O-N 3.03Å |
| 99 | P | 94.3 | Very high | 94.2 | Very high | 9 Ų | 9 | 71.1 Ų | 71.1 | 6% | 0.058 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 152.5 | 169 | 30.4 | -37 | 0 | 0 | 0 | 110.9 | V116 F117 V172 A176 Y177 | P99-V116 CarbonylContact C-O 3.59Å; P99-V116 WeakPolarHBondContact CA-O 3.27Å; P99-F117 HydrophobicContact CB-CD1 4.3Å; P99-F117 HydrophobicContact CB-CE1 4.28Å; P99-V172 HydrophobicContact CB-CG1 4.15Å; P99-V172 HydrophobicContact CG-CG1 4.08Å; P99-A176 VanDerWaalsContact CD-CB 3.46Å; P99-A176 HydrophobicContact CG-CB 3.72Å; P99-Y177 HydrophobicContact CG-CE2 4.21Å |
| 100 | L | 93.7 | Very high | 94.3 | Very high | 14 Ų | 14 | 67.2 Ų | 67.2 | 7% | 0.073 | 33% | 0.332 | C | S | . | . | trans | -95.8 | 120.7 | 173.5 | -169.6 | 71.5 | 0 | 0 | 0 | 109.3 | T102 S105 V116 L118 K154 | L100-T102 HydrophobicContact CD1-CG2 4.02Å; L100-T102 HydrophobicContact CD2-CG2 4.32Å; L100-T102 HydrophobicContact CG-CG2 3.98Å; L100-S105 WeakPolarHBondContact O-CB 3.24Å; L100-S105 PolarHBondContact O-OG 2.77Å; L100-V116 HydrophobicContact CB-CB 4.11Å; L100-V116 HydrophobicContact CB-CG1 3.91Å; L100-V116 HydrophobicContact CD2-CG1 3.85Å; L100-V116 PolarHBondContact N-O 3.49Å; L100-L118 HydrophobicContact CD1-CD1 3.99Å; L100-L118 HydrophobicContact CD1-CG 4.25Å; L100-K154 HydrophobicContact CD2-CD 3.86Å; L100-K154 VanDerWaalsContact CD2-CE 3.47Å; L100-K154 HydrophobicContact CD2-CG 4.33Å | ||
| 101 | T | 93.1 | Very high | 94.4 | Very high | 66 Ų | 66 | 69 Ų | 69 | 41% | 0.405 | 34% | 0.342 | S | S | . | . | trans | -105 | 21.6 | -174 | 51.5 | 0 | 0 | 0 | 0 | 113.5 | I173 Y177 | T101-I173 HydrophobicContact CG2-CD1 4.49Å; T101-I173 HydrophobicContact CG2-CG1 4.34Å; T101-Y177 HydrophobicContact CG2-CE2 3.8Å | ||
| 102 | T | 94.2 | Very high | 94.4 | Very high | 57 Ų | 57 | 69 Ų | 69 | 35% | 0.35 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -70.7 | 155.2 | 177.2 | 58.5 | 0 | 0 | 0 | 0 | 111.6 | L100 S104 S105 M106 | L100-T102 HydrophobicContact CD1-CG2 4.02Å; L100-T102 HydrophobicContact CD2-CG2 4.32Å; L100-T102 HydrophobicContact CG-CG2 3.98Å; T102-S104 VanDerWaalsContact C-N 3.3Å; T102-S104 PolarHBondContact O-N 2.89Å; T102-S104 PolarHBondContact OG1-OG 2.66Å; T102-S105 CarbonylContact O-C 3.57Å; T102-S105 VanDerWaalsContact O-CA 3.29Å; T102-S105 WeakPolarHBondContact O-CA 3.37Å; T102-S105 WeakPolarHBondContact O-CB 3.49Å; T102-S105 PolarHBondContact O-N 2.78Å; T102-S105 WeakPolarHBondContact OG1-CB 3.32Å; T102-S105 PolarHBondContact OG1-N 3.44Å; T102-M106 PolarHBondContact O-N 2.9Å |
| 103 | E | 94.8 | Very high | 94.4 | Very high | 176 Ų | 176 | 65.8 Ų | 65.8 | 82% | 0.822 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -50.2 | -46.6 | 176.2 | -63.5 | 172.2 | -169.6 | 0 | 0 | 113.2 | S105 M106 K107 | E103-S105 PolarHBondContact O-N 3.28Å; E103-S105 VanDerWaalsContact O-N 3.15Å; E103-M106 PolarHBondContact O-N 3.12Å; E103-M106 VanDerWaalsContact O-N 3.17Å; E103-K107 PolarHBondContact O-N 3.3Å |
| 104 | S | 95.4 | Very high | 94.6 | Very high | 71 Ų | 71 | 59.1 Ų | 59.1 | 50% | 0.497 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.6 | -24 | 176.1 | 68 | 0 | 0 | 0 | 0 | 114.3 | T102 K108 | T102-S104 VanDerWaalsContact C-N 3.3Å; T102-S104 PolarHBondContact O-N 2.89Å; T102-S104 PolarHBondContact OG1-OG 2.66Å; S104-K108 VanDerWaalsContact O-CG 3.24Å; S104-K108 WeakPolarHBondContact O-CG 3.33Å |
| 105 | S | 95.2 | Very high | 94.6 | Very high | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.014 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -83.5 | -42.9 | 176.1 | -172.5 | 0 | 0 | 0 | 0 | 110.8 | L100 T102 E103 K107 K108 I109 V116 | L100-S105 WeakPolarHBondContact O-CB 3.24Å; L100-S105 PolarHBondContact O-OG 2.77Å; T102-S105 CarbonylContact O-C 3.57Å; T102-S105 VanDerWaalsContact O-CA 3.29Å; T102-S105 WeakPolarHBondContact O-CA 3.37Å; T102-S105 WeakPolarHBondContact O-CB 3.49Å; T102-S105 PolarHBondContact O-N 2.78Å; T102-S105 WeakPolarHBondContact OG1-CB 3.32Å; T102-S105 PolarHBondContact OG1-N 3.44Å; E103-S105 PolarHBondContact O-N 3.28Å; E103-S105 VanDerWaalsContact O-N 3.15Å; S105-K107 VanDerWaalsContact C-N 3.3Å; S105-K107 PolarHBondContact O-N 2.84Å; S105-K108 WeakPolarHBondContact O-CA 3.43Å; S105-K108 WeakPolarHBondContact O-CB 3.38Å; S105-K108 PolarHBondContact O-N 2.94Å; S105-I109 WeakPolarHBondContact O-CG1 3.47Å; S105-I109 PolarHBondContact O-N 2.94Å; S105-I109 VanDerWaalsContact O-N 3.1Å; S105-V116 WeakPolarHBondContact OG-CB 3.4Å; S105-V116 WeakPolarHBondContact OG-CG2 3.44Å |
| 106 | M | 95.2 | Very high | 94.6 | Very high | 62 Ų | 62 | 57.2 Ų | 57.2 | 31% | 0.305 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -57.1 | -45.9 | 174.6 | -64.7 | -54.4 | -62.4 | 0 | 0 | 111.1 | T102 E103 K108 I109 E110 | T102-M106 PolarHBondContact O-N 2.9Å; E103-M106 PolarHBondContact O-N 3.12Å; E103-M106 VanDerWaalsContact O-N 3.17Å; M106-K108 PolarHBondContact O-N 3.32Å; M106-I109 WeakPolarHBondContact O-CB 3.35Å; M106-I109 PolarHBondContact O-N 3.22Å; M106-I109 HydrophobicContact SD-CD1 4.07Å; M106-E110 PolarHBondContact O-N 2.83Å |
| 107 | K | 96 | Very high | 94.7 | Very high | 130 Ų | 130 | 57 Ų | 57 | 57% | 0.565 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -57.4 | -33.6 | 173.4 | -174.3 | 168.1 | -175.9 | 170.6 | 0 | 113.5 | E103 S105 D111 | E103-K107 PolarHBondContact O-N 3.3Å; S105-K107 VanDerWaalsContact C-N 3.3Å; S105-K107 PolarHBondContact O-N 2.84Å; K107-D111 WeakPolarHBondContact CE-OD2 3.31Å; K107-D111 WeakPolarHBondContact CG-OD2 3.34Å; K107-D111 WeakPolarHBondContact O-CB 3.34Å; K107-D111 PolarHBondContact O-N 2.57Å |
| 108 | K | 96.2 | Very high | 94.8 | Very high | 82 Ų | 82 | 52.3 Ų | 52.3 | 36% | 0.357 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -74.7 | -26.4 | 178.7 | -77.6 | -72.4 | 166.1 | -157.5 | 0 | 113.1 | S104 S105 M106 N112 T114 V116 Y156 | S104-K108 VanDerWaalsContact O-CG 3.24Å; S104-K108 WeakPolarHBondContact O-CG 3.33Å; S105-K108 WeakPolarHBondContact O-CA 3.43Å; S105-K108 WeakPolarHBondContact O-CB 3.38Å; S105-K108 PolarHBondContact O-N 2.94Å; M106-K108 PolarHBondContact O-N 3.32Å; K108-N112 HydrophobicContact CD-CB 4.45Å; K108-N112 WeakPolarHBondContact CD-OD1 3.2Å; K108-N112 PolarHBondContact NZ-OD1 3Å; K108-N112 PolarHBondContact O-N 2.87Å; K108-T114 CarbonylContact C-O 3.54Å; K108-T114 WeakPolarHBondContact CB-OG1 3.35Å; K108-T114 PolarHBondContact O-N 2.84Å; K108-T114 VanDerWaalsContact O-N 3.1Å; K108-T114 PolarHBondContact O-OG1 3.13Å; K108-V116 HydrophobicContact CB-CG2 4.35Å; K108-Y156 HydrophobicContact CG-CE1 4.48Å |
| 109 | I | 95.2 | Very high | 95 | Very high | 7 Ų | 7 | 49.1 Ų | 49.1 | 4% | 0.036 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -69.1 | -48.2 | 173.2 | -64.9 | 170 | 0 | 0 | 0 | 108.6 | S105 M106 N113 T114 L115 A165 L166 A169 | S105-I109 WeakPolarHBondContact O-CG1 3.47Å; S105-I109 PolarHBondContact O-N 2.94Å; S105-I109 VanDerWaalsContact O-N 3.1Å; M106-I109 WeakPolarHBondContact O-CB 3.35Å; M106-I109 PolarHBondContact O-N 3.22Å; M106-I109 HydrophobicContact SD-CD1 4.07Å; I109-N113 PolarHBondContact O-N 3.32Å; I109-T114 WeakPolarHBondContact CA-O 3.37Å; I109-T114 WeakPolarHBondContact CG1-O 3.43Å; I109-T114 PolarHBondContact N-O 3.45Å; I109-L115 HydrophobicContact CD1-CD2 4.35Å; I109-L115 HydrophobicContact CG1-CD2 4.2Å; I109-A165 HydrophobicContact CG2-CB 3.89Å; I109-L166 HydrophobicContact CG2-CB 4.45Å; I109-L166 HydrophobicContact CG2-CD1 4.34Å; I109-A169 HydrophobicContact CD1-CB 3.95Å; I109-A169 HydrophobicContact CG2-CB 4.04Å |
| 110 | E | 93 | Very high | 95.2 | Very high | 127 Ų | 127 | 51.5 Ų | 51.5 | 59% | 0.593 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -69.3 | -54.7 | -178.2 | -65.1 | 166 | -160.9 | 0 | 0 | 113 | M106 | M106-E110 PolarHBondContact O-N 2.83Å |
| 111 | D | 94.8 | Very high | 95.3 | Very high | 101 Ų | 101 | 54.8 Ų | 54.8 | 54% | 0.54 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -80.3 | -30.8 | -168.7 | -68.9 | -21.8 | 0 | 0 | 0 | 113.7 | K107 | K107-D111 WeakPolarHBondContact CE-OD2 3.31Å; K107-D111 WeakPolarHBondContact CG-OD2 3.34Å; K107-D111 WeakPolarHBondContact O-CB 3.34Å; K107-D111 PolarHBondContact O-N 2.57Å |
| 112 | N | 94.2 | Very high | 95.5 | Very high | 69 Ų | 69 | 59.1 Ų | 59.1 | 37% | 0.369 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -124.9 | 3.3 | -163.9 | -67.5 | 125.6 | 0 | 0 | 0 | 114.2 | K108 T114 H158 | K108-N112 HydrophobicContact CD-CB 4.45Å; K108-N112 WeakPolarHBondContact CD-OD1 3.2Å; K108-N112 PolarHBondContact NZ-OD1 3Å; K108-N112 PolarHBondContact O-N 2.87Å; N112-T114 HydrophobicContact CB-CG2 4.1Å; N112-T114 WeakPolarHBondContact O-CG2 3.19Å; N112-T114 PolarHBondContact O-N 2.92Å; N112-H158 PolarHBondContact O-CE1 3.01Å; N112-H158 PolarHBondContact O-ND1 3.39Å |
| 113 | N | 94.5 | Very high | 95.6 | Very high | 29 Ų | 29 | 56.5 Ų | 56.5 | 16% | 0.155 | 28% | 0.277 | C | S | . | . | trans | 50.5 | 47.4 | -173.3 | -162.2 | 23.1 | 0 | 0 | 0 | 111.5 | I109 H158 L159 A160 V163 A165 | I109-N113 PolarHBondContact O-N 3.32Å; N113-H158 PolarHBondContact O-ND1 2.84Å; N113-L159 PolarHBondContact O-N 3.48Å; N113-A160 PolarHBondContact ND2-O 2.95Å; N113-V163 PolarHBondContact ND2-O 2.92Å; N113-V163 PolarHBondContact OD1-O 3.49Å; N113-A165 WeakPolarHBondContact OD1-CA 3.28Å; N113-A165 WeakPolarHBondContact OD1-CB 3.21Å; N113-A165 PolarHBondContact OD1-N 3.49Å | ||
| 114 | T | 96.1 | Very high | 95.7 | Very high | 13 Ų | 13 | 53.3 Ų | 53.3 | 8% | 0.08 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 125.4 | -177.1 | 53.3 | 0 | 0 | 0 | 0 | 112.4 | K108 I109 N112 V157 H158 | K108-T114 CarbonylContact C-O 3.54Å; K108-T114 WeakPolarHBondContact CB-OG1 3.35Å; K108-T114 PolarHBondContact O-N 2.84Å; K108-T114 VanDerWaalsContact O-N 3.1Å; K108-T114 PolarHBondContact O-OG1 3.13Å; I109-T114 WeakPolarHBondContact CA-O 3.37Å; I109-T114 WeakPolarHBondContact CG1-O 3.43Å; I109-T114 PolarHBondContact N-O 3.45Å; N112-T114 HydrophobicContact CB-CG2 4.1Å; N112-T114 WeakPolarHBondContact O-CG2 3.19Å; N112-T114 PolarHBondContact O-N 2.92Å; T114-V157 CarbonylContact C-O 3.46Å; T114-V157 VanDerWaalsContact CA-O 3.27Å; T114-V157 WeakPolarHBondContact CA-O 3.25Å; T114-H158 HydrophobicContact CG2-CB 3.85Å |
| 115 | L | 95 | Very high | 95.8 | Very high | 6 Ų | 6 | 54.8 Ų | 54.8 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 140.4 | 168.9 | -65 | 177.1 | 0 | 0 | 0 | 110.3 | I109 F117 I138 V157 L159 A165 I168 A169 | I109-L115 HydrophobicContact CD1-CD2 4.35Å; I109-L115 HydrophobicContact CG1-CD2 4.2Å; L115-F117 HydrophobicContact CB-CD2 4.37Å; L115-F117 HydrophobicContact CB-CE2 3.63Å; L115-F117 HydrophobicContact CB-CZ 4.09Å; L115-F117 HydrophobicContact CD1-CE2 4.2Å; L115-F117 HydrophobicContact CD1-CZ 4.05Å; L115-I138 HydrophobicContact CD1-CD1 3.72Å; L115-V157 PolarHBondContact N-O 3.22Å; L115-V157 PolarHBondContact O-N 2.79Å; L115-L159 HydrophobicContact CD1-CD1 4.04Å; L115-L159 HydrophobicContact CD1-CD2 4.25Å; L115-L159 HydrophobicContact CG-CD1 4.1Å; L115-L159 HydrophobicContact CG-CD2 4.43Å; L115-L159 HydrophobicContact CG-CG 4.45Å; L115-A165 HydrophobicContact CD2-CB 4.22Å; L115-A165 HydrophobicContact CG-CB 4.44Å; L115-I168 HydrophobicContact CD1-CB 4.45Å; L115-I168 HydrophobicContact CD1-CG2 3.67Å; L115-A169 HydrophobicContact CD2-CB 3.96Å |
| 116 | V | 96 | Very high | 95.8 | Very high | 4 Ų | 4 | 59.4 Ų | 59.4 | 2% | 0.024 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 126.5 | 178.7 | -168.3 | 0 | 0 | 0 | 0 | 109.6 | P99 L100 S105 K108 K154 A155 Y156 | P99-V116 CarbonylContact C-O 3.59Å; P99-V116 WeakPolarHBondContact CA-O 3.27Å; L100-V116 HydrophobicContact CB-CB 4.11Å; L100-V116 HydrophobicContact CB-CG1 3.91Å; L100-V116 HydrophobicContact CD2-CG1 3.85Å; L100-V116 PolarHBondContact N-O 3.49Å; S105-V116 WeakPolarHBondContact OG-CB 3.4Å; S105-V116 WeakPolarHBondContact OG-CG2 3.44Å; K108-V116 HydrophobicContact CB-CG2 4.35Å; V116-K154 HydrophobicContact CG1-CD 3.76Å; V116-K154 HydrophobicContact CG1-CG 3.55Å; V116-A155 CarbonylContact C-O 3.46Å; V116-A155 VanDerWaalsContact CA-O 3.31Å; V116-A155 WeakPolarHBondContact CA-O 3.21Å; V116-Y156 HydrophobicContact CB-CD1 4.44Å; V116-Y156 HydrophobicContact CG1-CD1 4.13Å; V116-Y156 HydrophobicContact CG1-CE1 4.03Å; V116-Y156 HydrophobicContact CG2-CD1 3.56Å; V116-Y156 HydrophobicContact CG2-CE1 3.75Å |
| 117 | F | 95.8 | Very high | 95.9 | Very high | 1 Ų | 1 | 59.1 Ų | 59.1 | 0% | 0.004 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 148.7 | 178.5 | -64.5 | -80.7 | 0 | 0 | 0 | 111.3 | I96 P99 L115 V119 V132 Y136 K154 A155 V157 V172 | I96-F117 HydrophobicContact CG2-CB 4.37Å; I96-F117 HydrophobicContact CG2-CD1 3.58Å; I96-F117 HydrophobicContact CG2-CE1 4.1Å; I96-F117 HydrophobicContact CG2-CG 4.11Å; P99-F117 HydrophobicContact CB-CD1 4.3Å; P99-F117 HydrophobicContact CB-CE1 4.28Å; L115-F117 HydrophobicContact CB-CD2 4.37Å; L115-F117 HydrophobicContact CB-CE2 3.63Å; L115-F117 HydrophobicContact CB-CZ 4.09Å; L115-F117 HydrophobicContact CD1-CE2 4.2Å; L115-F117 HydrophobicContact CD1-CZ 4.05Å; F117-V119 HydrophobicContact CB-CG2 3.91Å; F117-V132 HydrophobicContact CD2-CG2 4.38Å; F117-V132 HydrophobicContact CE2-CG2 4.09Å; F117-Y136 HydrophobicContact CE1-CD2 4.48Å; F117-Y136 AromaticContact CE1-CE2 3.75Å; F117-Y136 HydrophobicContact CE1-CE2 3.75Å; F117-Y136 HydrophobicContact CZ-CD2 4.23Å; F117-Y136 AromaticContact CZ-CE2 3.95Å; F117-Y136 HydrophobicContact CZ-CE2 3.95Å; F117-K154 WeakPolarHBondContact O-CA 3.47Å; F117-A155 PolarHBondContact N-O 2.96Å; F117-A155 PolarHBondContact O-N 3.48Å; F117-V157 HydrophobicContact CD2-CB 4.45Å; F117-V157 HydrophobicContact CD2-CG2 3.76Å; F117-V157 HydrophobicContact CE2-CB 4.4Å; F117-V157 HydrophobicContact CE2-CG2 4.12Å; F117-V172 HydrophobicContact CE1-CG1 3.98Å; F117-V172 HydrophobicContact CZ-CG1 4.45Å |
| 118 | L | 95.8 | Very high | 96 | Very high | 4 Ų | 4 | 52.9 Ų | 52.9 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 131.1 | 156.6 | -76.2 | 172 | 0 | 0 | 0 | 109.6 | K97 H98 L100 Q152 | K97-L118 WeakPolarHBondContact CB-O 3.33Å; K97-L118 PolarHBondContact N-O 3.36Å; H98-L118 WeakPolarHBondContact NE2-CD1 3.34Å; H98-L118 PolarHBondContact O-N 3.03Å; L100-L118 HydrophobicContact CD1-CD1 3.99Å; L100-L118 HydrophobicContact CD1-CG 4.25Å; L118-Q152 HydrophobicContact CD2-CB 4.06Å |
| 119 | V | 97.4 | Very high | 96 | Very high | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.006 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 156 | -167 | 179.5 | 0 | 0 | 0 | 0 | 109.8 | V95 F117 A123 I128 K153 A155 | V95-V119 HydrophobicContact CG1-CG1 4.12Å; V95-V119 CarbonylContact O-C 3.59Å; V95-V119 VanDerWaalsContact O-CA 3.23Å; V95-V119 WeakPolarHBondContact O-CA 3.02Å; V95-V119 WeakPolarHBondContact O-CG1 3.42Å; F117-V119 HydrophobicContact CB-CG2 3.91Å; V119-A123 HydrophobicContact CG1-CB 3.48Å; V119-A123 VanDerWaalsContact CG1-CB 3.48Å; V119-I128 HydrophobicContact CG1-CD1 3.76Å; V119-I128 HydrophobicContact CG1-CG1 3.69Å; V119-I128 HydrophobicContact CG2-CD1 4.46Å; V119-K153 HydrophobicContact CB-CB 4.5Å; V119-K153 PolarHBondContact N-O 2.97Å; V119-A155 HydrophobicContact CG2-CB 3.59Å |
| 120 | H | 97.2 | Very high | 96 | Very high | 59 Ų | 59 | 54.7 Ų | 54.7 | 27% | 0.273 | 28% | 0.28 | S | S | . | . | trans | -59.4 | 137.8 | 170.6 | -164.3 | -82.2 | 0 | 0 | 0 | 113 | L90 S94 V95 K122 A123 | L90-H120 HydrophobicContact CD2-CB 4.41Å; S94-H120 WeakPolarHBondContact O-CB 2.92Å; V95-H120 PolarHBondContact O-N 3.41Å; H120-K122 PolarHBondContact ND1-N 3.14Å; H120-K122 VanDerWaalsContact ND1-N 3.13Å; H120-K122 PolarHBondContact O-N 2.72Å; H120-K122 VanDerWaalsContact O-N 3.14Å; H120-A123 VanDerWaalsContact O-CB 3.32Å; H120-A123 WeakPolarHBondContact O-CB 3.39Å; H120-A123 PolarHBondContact O-N 2.79Å | ||
| 121 | L | 96.6 | Very high | 96.2 | Very high | 84 Ų | 84 | 48.7 Ų | 48.7 | 44% | 0.44 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -35.3 | -178 | -75.1 | 176.4 | 0 | 0 | 0 | 114.2 | A123 I147 G151 K153 | L121-A123 VanDerWaalsContact C-N 3.34Å; L121-I147 HydrophobicContact CD2-CG2 4.45Å; L121-G151 WeakPolarHBondContact CD1-O 3.24Å; L121-G151 VanDerWaalsContact CD2-O 3.3Å; L121-G151 WeakPolarHBondContact CD2-O 3.38Å; L121-K153 HydrophobicContact CD2-CB 4.21Å; L121-K153 WeakPolarHBondContact O-CE 3.33Å; L121-K153 PolarHBondContact O-NZ 3.35Å |
| 122 | K | 96 | Very high | 96.2 | Very high | 157 Ų | 157 | 43.9 Ų | 43.9 | 68% | 0.683 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -3.8 | 179.3 | -63 | -176.3 | 177.6 | 177.8 | 0 | 114.5 | L90 H120 | L90-K122 HydrophobicContact CD1-CB 4.01Å; H120-K122 PolarHBondContact ND1-N 3.14Å; H120-K122 VanDerWaalsContact ND1-N 3.13Å; H120-K122 PolarHBondContact O-N 2.72Å; H120-K122 VanDerWaalsContact O-N 3.14Å |
| 123 | A | 97.3 | Very high | 96.2 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.008 | 23% | 0.231 | C | C | . | . | trans | -74.8 | 133.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | V95 V119 H120 L121 L127 I128 K153 | V95-A123 HydrophobicContact CG1-CB 3.89Å; V95-A123 HydrophobicContact CG2-CB 4.49Å; V119-A123 HydrophobicContact CG1-CB 3.48Å; V119-A123 VanDerWaalsContact CG1-CB 3.48Å; H120-A123 VanDerWaalsContact O-CB 3.32Å; H120-A123 WeakPolarHBondContact O-CB 3.39Å; H120-A123 PolarHBondContact O-N 2.79Å; L121-A123 VanDerWaalsContact C-N 3.34Å; A123-L127 HydrophobicContact CB-CD2 4.32Å; A123-I128 HydrophobicContact CB-CD1 4.32Å; A123-I128 HydrophobicContact CB-CG1 3.95Å; A123-K153 PolarHBondContact O-NZ 2.8Å | ||
| 124 | N | 96.3 | Very high | 96.2 | Very high | 110 Ų | 110 | 50.8 Ų | 50.8 | 59% | 0.588 | 25% | 0.252 | S | S | * | . | trans | -92.7 | 159 | 175.8 | -65.2 | -20.3 | 0 | 0 | 0 | 110.6 | L127 I128 | N124-L127 WeakPolarHBondContact O-CB 3.14Å; N124-L127 PolarHBondContact O-N 2.64Å; N124-I128 WeakPolarHBondContact O-CG1 3.4Å; N124-I128 PolarHBondContact O-N 3.41Å | ||
| 125 | K | 97.7 | Very high | 96 | Very high | 101 Ų | 101 | 52.4 Ų | 52.4 | 44% | 0.439 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -52.8 | -45.3 | 179.7 | -64.9 | 176.1 | 173.2 | -167.8 | 0 | 114 | L127 I128 K129 V143 T145 | K125-L127 VanDerWaalsContact C-N 3.3Å; K125-L127 PolarHBondContact O-N 3.28Å; K125-I128 PolarHBondContact O-N 3.09Å; K125-K129 PolarHBondContact O-N 3Å; K125-V143 HydrophobicContact CB-CB 4.4Å; K125-V143 VanDerWaalsContact CD-O 3.24Å; K125-V143 WeakPolarHBondContact CD-O 3.23Å; K125-V143 WeakPolarHBondContact CE-O 3.35Å; K125-V143 HydrophobicContact CG-CG1 4.49Å; K125-T145 HydrophobicContact CG-CG2 4.11Å |
| 126 | P | 96.6 | Very high | 95.8 | Very high | 100 Ų | 100 | 55 Ų | 55 | 65% | 0.649 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -65 | -33.9 | 177.1 | -21.9 | 34.7 | 0 | 0 | 0 | 113.1 | K129 A130 | P126-K129 PolarHBondContact O-N 3.12Å; P126-A130 WeakPolarHBondContact O-CB 3.4Å; P126-A130 PolarHBondContact O-N 3.31Å |
| 127 | L | 96 | Very high | 95.6 | Very high | 55 Ų | 55 | 61.7 Ų | 61.7 | 29% | 0.288 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -68.9 | -40 | 178.2 | -177.7 | 62.6 | 0 | 0 | 0 | 111.3 | Y92 V95 A123 N124 K125 A130 A131 | Y92-L127 HydrophobicContact CE1-CD1 4.49Å; V95-L127 HydrophobicContact CG1-CG 4.35Å; V95-L127 HydrophobicContact CG2-CD1 4.35Å; V95-L127 HydrophobicContact CG2-CD2 3.6Å; V95-L127 HydrophobicContact CG2-CG 3.78Å; A123-L127 HydrophobicContact CB-CD2 4.32Å; N124-L127 WeakPolarHBondContact O-CB 3.14Å; N124-L127 PolarHBondContact O-N 2.64Å; K125-L127 VanDerWaalsContact C-N 3.3Å; K125-L127 PolarHBondContact O-N 3.28Å; L127-A130 PolarHBondContact O-N 2.86Å; L127-A131 WeakPolarHBondContact O-CB 3.46Å; L127-A131 PolarHBondContact O-N 3.13Å |
| 128 | I | 97.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.8 | -47.8 | 175.2 | -61.4 | 164.5 | 0 | 0 | 0 | 109.9 | V95 V119 A123 N124 K125 A130 A131 V132 V143 T145 A155 V157 | V95-I128 HydrophobicContact CG1-CG1 4.17Å; V119-I128 HydrophobicContact CG1-CD1 3.76Å; V119-I128 HydrophobicContact CG1-CG1 3.69Å; V119-I128 HydrophobicContact CG2-CD1 4.46Å; A123-I128 HydrophobicContact CB-CD1 4.32Å; A123-I128 HydrophobicContact CB-CG1 3.95Å; N124-I128 WeakPolarHBondContact O-CG1 3.4Å; N124-I128 PolarHBondContact O-N 3.41Å; K125-I128 PolarHBondContact O-N 3.09Å; I128-A130 VanDerWaalsContact C-N 3.3Å; I128-A130 PolarHBondContact O-N 3.34Å; I128-A131 PolarHBondContact O-N 3.42Å; I128-A131 VanDerWaalsContact O-N 3.12Å; I128-V132 HydrophobicContact CG2-CG2 4.25Å; I128-V132 WeakPolarHBondContact O-CG2 3.13Å; I128-V132 PolarHBondContact O-N 3.15Å; I128-V143 HydrophobicContact CB-CG1 4.19Å; I128-V143 HydrophobicContact CD1-CG1 4.26Å; I128-V143 HydrophobicContact CG2-CG1 3.93Å; I128-T145 HydrophobicContact CD1-CG2 3.58Å; I128-A155 HydrophobicContact CD1-CB 4.16Å; I128-A155 HydrophobicContact CG2-CB 4.24Å; I128-V157 HydrophobicContact CG2-CG2 4.31Å |
| 129 | K | 96.6 | Very high | 95.3 | Very high | 90 Ų | 90 | 65.3 Ų | 65.3 | 39% | 0.391 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -55.8 | -44.9 | 176 | 178.4 | 161.6 | 173.2 | 158.8 | 0 | 111.7 | K125 P126 K133 A140 D141 V143 | K125-K129 PolarHBondContact O-N 3Å; P126-K129 PolarHBondContact O-N 3.12Å; K129-K133 WeakPolarHBondContact O-CB 3.3Å; K129-K133 PolarHBondContact O-N 3.44Å; K129-K133 VanDerWaalsContact O-N 3.11Å; K129-A140 WeakPolarHBondContact CD-O 3.3Å; K129-A140 WeakPolarHBondContact CE-O 3.49Å; K129-A140 HydrophobicContact CG-CB 4.29Å; K129-A140 PolarHBondContact NZ-O 3.37Å; K129-D141 PolarHBondContact NZ-O 3.43Å; K129-V143 HydrophobicContact CB-CG2 4.05Å |
| 130 | A | 96.3 | Very high | 95.1 | Very high | 37 Ų | 37 | 65.4 Ų | 65.4 | 31% | 0.306 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.9 | -39.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y92 P126 L127 I128 K134 | Y92-A130 HydrophobicContact CE1-CB 4.17Å; P126-A130 WeakPolarHBondContact O-CB 3.4Å; P126-A130 PolarHBondContact O-N 3.31Å; L127-A130 PolarHBondContact O-N 2.86Å; I128-A130 VanDerWaalsContact C-N 3.3Å; I128-A130 PolarHBondContact O-N 3.34Å; A130-K134 WeakPolarHBondContact O-CB 3.31Å; A130-K134 WeakPolarHBondContact O-CG 3.36Å; A130-K134 PolarHBondContact O-N 2.77Å |
| 131 | A | 95.9 | Very high | 95 | Very high | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.7 | -46.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y92 V95 I96 L127 I128 K133 K134 L135 | Y92-A131 HydrophobicContact CD1-CB 3.74Å; Y92-A131 HydrophobicContact CG-CB 4.38Å; V95-A131 HydrophobicContact CB-CB 4.14Å; V95-A131 HydrophobicContact CG1-CB 3.83Å; I96-A131 HydrophobicContact CD1-CB 3.71Å; I96-A131 HydrophobicContact CG1-CB 3.93Å; L127-A131 WeakPolarHBondContact O-CB 3.46Å; L127-A131 PolarHBondContact O-N 3.13Å; I128-A131 PolarHBondContact O-N 3.42Å; I128-A131 VanDerWaalsContact O-N 3.12Å; A131-K133 VanDerWaalsContact C-N 3.34Å; A131-K133 PolarHBondContact O-N 3.47Å; A131-K134 PolarHBondContact O-N 2.76Å; A131-L135 WeakPolarHBondContact O-CB 3.45Å; A131-L135 WeakPolarHBondContact O-CG 3.32Å; A131-L135 PolarHBondContact O-N 3.3Å |
| 132 | V | 94.7 | Very high | 95 | Very high | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.9 | -47.1 | 178.1 | 172.7 | 0 | 0 | 0 | 0 | 110 | I96 F117 I128 K134 L135 Y136 I138 V157 | I96-V132 HydrophobicContact CD1-CB 4.17Å; I96-V132 HydrophobicContact CD1-CG2 3.45Å; I96-V132 VanDerWaalsContact CD1-CG2 3.45Å; F117-V132 HydrophobicContact CD2-CG2 4.38Å; F117-V132 HydrophobicContact CE2-CG2 4.09Å; I128-V132 HydrophobicContact CG2-CG2 4.25Å; I128-V132 WeakPolarHBondContact O-CG2 3.13Å; I128-V132 PolarHBondContact O-N 3.15Å; V132-K134 VanDerWaalsContact C-N 3.34Å; V132-K134 PolarHBondContact O-N 2.91Å; V132-L135 PolarHBondContact O-N 3.5Å; V132-Y136 PolarHBondContact O-N 2.91Å; V132-I138 HydrophobicContact CG1-CB 3.96Å; V132-I138 HydrophobicContact CG1-CD1 3.93Å; V132-V157 HydrophobicContact CG1-CG1 4.32Å; V132-V157 HydrophobicContact CG2-CG1 4.34Å; V132-V157 HydrophobicContact CG2-CG2 4.24Å |
| 133 | K | 94.9 | Very high | 95.1 | Very high | 105 Ų | 105 | 61.8 Ų | 61.8 | 46% | 0.457 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.8 | -42.2 | 176.9 | -175.9 | 170.4 | -176.6 | 135.7 | 0 | 112.5 | K129 A131 N137 I138 D139 | K129-K133 WeakPolarHBondContact O-CB 3.3Å; K129-K133 PolarHBondContact O-N 3.44Å; K129-K133 VanDerWaalsContact O-N 3.11Å; A131-K133 VanDerWaalsContact C-N 3.34Å; A131-K133 PolarHBondContact O-N 3.47Å; K133-N137 WeakPolarHBondContact O-CA 3.43Å; K133-N137 PolarHBondContact O-N 2.92Å; K133-N137 VanDerWaalsContact O-N 3.13Å; K133-I138 VanDerWaalsContact CA-O 3.25Å; K133-I138 WeakPolarHBondContact CA-O 3.24Å; K133-D139 VanDerWaalsContact CD-OD1 3.29Å; K133-D139 WeakPolarHBondContact CD-OD1 3.38Å; K133-D139 VanDerWaalsContact CE-OD1 3.29Å; K133-D139 WeakPolarHBondContact CE-OD1 3.41Å; K133-D139 IonicContact NZ-OD1 2.64Å; K133-D139 PolarHBondContact NZ-OD1 3.13Å; K133-D139 IonicContact NZ-OD2 2.8Å; K133-D139 PolarHBondContact NZ-OD2 3.4Å |
| 134 | K | 94.5 | Very high | 95.1 | Very high | 139 Ų | 139 | 64.9 Ų | 64.9 | 60% | 0.604 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -74.6 | -37 | -177.9 | -78 | -71.4 | -176.9 | -176.6 | 0 | 114 | Y92 A130 A131 V132 | Y92-K134 HydrophobicContact CD2-CB 4.11Å; Y92-K134 HydrophobicContact CD2-CG 4.27Å; Y92-K134 HydrophobicContact CE2-CB 4.28Å; Y92-K134 HydrophobicContact CE2-CG 3.91Å; Y92-K134 HydrophobicContact CG-CB 4.36Å; A130-K134 WeakPolarHBondContact O-CB 3.31Å; A130-K134 WeakPolarHBondContact O-CG 3.36Å; A130-K134 PolarHBondContact O-N 2.77Å; A131-K134 PolarHBondContact O-N 2.76Å; V132-K134 VanDerWaalsContact C-N 3.34Å; V132-K134 PolarHBondContact O-N 2.91Å |
| 135 | L | 92.5 | Very high | 95.2 | Very high | 46 Ų | 46 | 62 Ų | 62 | 24% | 0.241 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -83.3 | -41.2 | -175.5 | -67.4 | -175.2 | 0 | 0 | 0 | 112.5 | F93 I96 A131 V132 | F93-L135 HydrophobicContact CD1-CD1 4.34Å; F93-L135 HydrophobicContact CD1-CD2 3.71Å; F93-L135 HydrophobicContact CE1-CD2 3.36Å; F93-L135 HydrophobicContact CE2-CD2 4.23Å; F93-L135 HydrophobicContact CG-CD2 4.29Å; F93-L135 HydrophobicContact CZ-CD2 3.64Å; I96-L135 HydrophobicContact CB-CD1 4.3Å; I96-L135 HydrophobicContact CD1-CD1 4.19Å; A131-L135 WeakPolarHBondContact O-CB 3.45Å; A131-L135 WeakPolarHBondContact O-CG 3.32Å; A131-L135 PolarHBondContact O-N 3.3Å; V132-L135 PolarHBondContact O-N 3.5Å |
| 136 | Y | 91.4 | Very high | 95.2 | Very high | 62 Ų | 62 | 60.5 Ų | 60.5 | 24% | 0.243 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -116.8 | 1.3 | -170.2 | -55.6 | -59.6 | 0 | 0 | 0 | 113.4 | I96 F117 V132 I138 V172 | I96-Y136 HydrophobicContact CD1-CE2 4.31Å; I96-Y136 HydrophobicContact CG2-CE2 4.35Å; F117-Y136 HydrophobicContact CE1-CD2 4.48Å; F117-Y136 AromaticContact CE1-CE2 3.75Å; F117-Y136 HydrophobicContact CE1-CE2 3.75Å; F117-Y136 HydrophobicContact CZ-CD2 4.23Å; F117-Y136 AromaticContact CZ-CE2 3.95Å; F117-Y136 HydrophobicContact CZ-CE2 3.95Å; V132-Y136 PolarHBondContact O-N 2.91Å; Y136-I138 HydrophobicContact CD2-CD1 4.17Å; Y136-I138 HydrophobicContact CG-CD1 4.06Å; Y136-I138 WeakPolarHBondContact O-CG1 3.04Å; Y136-I138 PolarHBondContact O-N 3.43Å; Y136-V172 HydrophobicContact CD1-CG2 3.73Å; Y136-V172 HydrophobicContact CD2-CG2 4.35Å; Y136-V172 HydrophobicContact CE1-CB 4.46Å; Y136-V172 HydrophobicContact CE1-CG1 4.04Å; Y136-V172 HydrophobicContact CE1-CG2 3.96Å; Y136-V172 HydrophobicContact CE2-CG1 4.33Å; Y136-V172 HydrophobicContact CG-CG2 3.93Å |
| 137 | N | 91.6 | Very high | 95.2 | Very high | 144 Ų | 144 | 61.1 Ų | 61.1 | 77% | 0.77 | 31% | 0.306 | S | S | * | . | trans | 55.6 | 33.7 | -174.8 | -59.5 | -44.5 | 0 | 0 | 0 | 113.4 | K133 | K133-N137 WeakPolarHBondContact O-CA 3.43Å; K133-N137 PolarHBondContact O-N 2.92Å; K133-N137 VanDerWaalsContact O-N 3.13Å | ||
| 138 | I | 91.1 | Very high | 95.2 | Very high | 3 Ų | 3 | 61.5 Ų | 61.5 | 2% | 0.015 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -103 | 130.4 | -179.7 | -47.2 | 156.2 | 0 | 0 | 0 | 109.7 | L115 V132 K133 Y136 L159 I168 | L115-I138 HydrophobicContact CD1-CD1 3.72Å; V132-I138 HydrophobicContact CG1-CB 3.96Å; V132-I138 HydrophobicContact CG1-CD1 3.93Å; K133-I138 VanDerWaalsContact CA-O 3.25Å; K133-I138 WeakPolarHBondContact CA-O 3.24Å; Y136-I138 HydrophobicContact CD2-CD1 4.17Å; Y136-I138 HydrophobicContact CG-CD1 4.06Å; Y136-I138 WeakPolarHBondContact O-CG1 3.04Å; Y136-I138 PolarHBondContact O-N 3.43Å; I138-L159 HydrophobicContact CG2-CD1 3.89Å; I138-L159 HydrophobicContact CG2-CD2 3.41Å; I138-L159 VanDerWaalsContact CG2-CD2 3.41Å; I138-L159 HydrophobicContact CG2-CG 4.16Å; I138-I168 HydrophobicContact CB-CD1 4.45Å; I138-I168 HydrophobicContact CD1-CD1 4.37Å; I138-I168 HydrophobicContact CD1-CG2 3.35Å; I138-I168 HydrophobicContact CG1-CD1 3.9Å; I138-I168 HydrophobicContact CG1-CG1 4.47Å; I138-I168 HydrophobicContact CG1-CG2 3.82Å; I138-I168 HydrophobicContact CG2-CD1 3.76Å |
| 139 | D | 93.1 | Very high | 95.2 | Very high | 78 Ų | 78 | 67.9 Ų | 67.9 | 42% | 0.417 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -86.3 | 121.3 | 169.2 | -81.3 | -43.3 | 0 | 0 | 0 | 111.1 | K133 A160 | K133-D139 VanDerWaalsContact CD-OD1 3.29Å; K133-D139 WeakPolarHBondContact CD-OD1 3.38Å; K133-D139 VanDerWaalsContact CE-OD1 3.29Å; K133-D139 WeakPolarHBondContact CE-OD1 3.41Å; K133-D139 IonicContact NZ-OD1 2.64Å; K133-D139 PolarHBondContact NZ-OD1 3.13Å; K133-D139 IonicContact NZ-OD2 2.8Å; K133-D139 PolarHBondContact NZ-OD2 3.4Å; D139-A160 PolarHBondContact O-N 3.37Å |
| 140 | A | 94.1 | Very high | 95.1 | Very high | 3 Ų | 3 | 68.4 Ų | 68.4 | 3% | 0.025 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 125.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | K129 V143 V157 H158 | K129-A140 WeakPolarHBondContact CD-O 3.3Å; K129-A140 WeakPolarHBondContact CE-O 3.49Å; K129-A140 HydrophobicContact CG-CB 4.29Å; K129-A140 PolarHBondContact NZ-O 3.37Å; A140-V143 HydrophobicContact CB-CG2 4.44Å; A140-V157 HydrophobicContact CB-CG1 3.41Å; A140-V157 VanDerWaalsContact CB-CG1 3.41Å; A140-H158 CarbonylContact C-O 3.56Å; A140-H158 WeakPolarHBondContact CA-O 3.4Å |
| 141 | D | 94.7 | Very high | 95.1 | Very high | 86 Ų | 86 | 68.5 Ų | 68.5 | 46% | 0.46 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | -57 | 173.6 | -77.4 | -12.9 | 0 | 0 | 0 | 110.3 | K129 H158 A160 | K129-D141 PolarHBondContact NZ-O 3.43Å; D141-H158 PolarHBondContact N-O 3.29Å; D141-A160 WeakPolarHBondContact OD2-CA 3.34Å |
| 142 | K | 96.3 | Very high | 95.1 | Very high | 128 Ų | 128 | 71.6 Ų | 71.6 | 56% | 0.557 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 139.2 | -172.4 | -172.4 | 175.4 | -179.2 | 178.1 | 0 | 111.5 | N144 H158 | K142-N144 WeakPolarHBondContact CE-OD1 3.5Å; K142-H158 HydrophobicContact CB-CB 4.31Å; K142-H158 PolarHBondContact O-N 2.92Å |
| 143 | V | 97.7 | Very high | 95.3 | Very high | 10 Ų | 10 | 72.9 Ų | 72.9 | 6% | 0.061 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 121.1 | 173.3 | -177.9 | 0 | 0 | 0 | 0 | 109.9 | K125 I128 K129 A140 T145 A155 Y156 V157 | K125-V143 HydrophobicContact CB-CB 4.4Å; K125-V143 VanDerWaalsContact CD-O 3.24Å; K125-V143 WeakPolarHBondContact CD-O 3.23Å; K125-V143 WeakPolarHBondContact CE-O 3.35Å; K125-V143 HydrophobicContact CG-CG1 4.49Å; I128-V143 HydrophobicContact CB-CG1 4.19Å; I128-V143 HydrophobicContact CD1-CG1 4.26Å; I128-V143 HydrophobicContact CG2-CG1 3.93Å; K129-V143 HydrophobicContact CB-CG2 4.05Å; A140-V143 HydrophobicContact CB-CG2 4.44Å; V143-T145 HydrophobicContact CG1-CG2 4.09Å; V143-A155 HydrophobicContact CG1-CB 4.4Å; V143-Y156 CarbonylContact C-O 3.59Å; V143-Y156 WeakPolarHBondContact CA-O 3.35Å; V143-V157 HydrophobicContact CG1-CG2 4.41Å; V143-V157 HydrophobicContact CG2-CG1 4.32Å; V143-V157 HydrophobicContact CG2-CG2 4.36Å |
| 144 | N | 97.5 | Very high | 95.4 | Very high | 66 Ų | 66 | 69.2 Ų | 69.2 | 35% | 0.353 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 141.4 | 170.8 | -63 | -34.3 | 0 | 0 | 0 | 109.2 | K142 A155 Y156 | K142-N144 WeakPolarHBondContact CE-OD1 3.5Å; N144-A155 CarbonylContact O-C 3.56Å; N144-A155 VanDerWaalsContact O-CA 3.31Å; N144-A155 WeakPolarHBondContact O-CA 3.37Å; N144-Y156 PolarHBondContact N-O 3.42Å; N144-Y156 PolarHBondContact O-N 3.21Å |
| 145 | T | 98 | Very high | 95.6 | Very high | 48 Ų | 48 | 62.6 Ų | 62.6 | 29% | 0.294 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 141.5 | -176.4 | 56.7 | 0 | 0 | 0 | 0 | 110.1 | K125 I128 V143 K153 K154 A155 | K125-T145 HydrophobicContact CG-CG2 4.11Å; I128-T145 HydrophobicContact CD1-CG2 3.58Å; V143-T145 HydrophobicContact CG1-CG2 4.09Å; T145-K153 HydrophobicContact CG2-CD 4.31Å; T145-K154 CarbonylContact C-O 3.6Å; T145-K154 VanDerWaalsContact CA-O 3.3Å; T145-K154 WeakPolarHBondContact CA-O 3.37Å; T145-A155 HydrophobicContact CG2-CB 4.11Å |
| 146 | L | 97.3 | Very high | 95.8 | Very high | 70 Ų | 70 | 63.5 Ų | 63.5 | 37% | 0.366 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 162 | 166.4 | 64.5 | 147.7 | 0 | 0 | 0 | 110.2 | K153 K154 Y156 | L146-K153 CarbonylContact O-C 3.54Å; L146-K153 WeakPolarHBondContact O-CA 3.23Å; L146-K153 WeakPolarHBondContact O-CG 3.43Å; L146-K154 HydrophobicContact CD2-CB 3.93Å; L146-K154 HydrophobicContact CD2-CD 4.15Å; L146-K154 HydrophobicContact CD2-CG 4.26Å; L146-K154 HydrophobicContact CG-CB 4.02Å; L146-K154 PolarHBondContact N-O 2.94Å; L146-K154 PolarHBondContact O-N 3.43Å; L146-Y156 HydrophobicContact CD2-CD2 3.81Å; L146-Y156 HydrophobicContact CD2-CE2 3.21Å |
| 147 | I | 97.8 | Very high | 96.1 | Very high | 113 Ų | 113 | 60.6 Ų | 60.6 | 58% | 0.579 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 125.9 | 167.6 | -60.3 | 174.9 | 0 | 0 | 0 | 106.7 | L121 | L121-I147 HydrophobicContact CD2-CG2 4.45Å |
| 148 | R | 96 | Very high | 96.3 | Very high | 63 Ų | 63 | 57.1 Ų | 57.1 | 24% | 0.238 | 30% | 0.301 | C | S | . | . | trans | -72.1 | 154.4 | 172.7 | -71.9 | 173.2 | 55.8 | 161.5 | -1 | 109.9 | D150 G151 Q152 K154 | R148-D150 IonicContact CZ-OD2 3.49Å; R148-D150 IonicContact NE-OD2 2.67Å; R148-D150 PolarHBondContact NE-OD2 3.25Å; R148-D150 IonicContact NH2-OD2 3.62Å; R148-D150 PolarHBondContact NH2-OD2 2.84Å; R148-D150 PolarHBondContact O-N 2.99Å; R148-D150 VanDerWaalsContact O-N 3.12Å; R148-G151 PolarHBondContact O-N 3.48Å; R148-Q152 WeakPolarHBondContact CB-O 3.34Å; R148-Q152 PolarHBondContact N-O 3.04Å; R148-K154 HydrophobicContact CG-CB 4.18Å | ||
| 149 | P | 97.3 | Very high | 96.5 | Very high | 135 Ų | 135 | 57 Ų | 57 | 88% | 0.877 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -25.5 | 171.6 | 24.8 | -34.6 | 0 | 0 | 0 | 112.8 | G151 | P149-G151 PolarHBondContact O-N 2.88Å; P149-G151 VanDerWaalsContact O-N 3.09Å |
| 150 | D | 94.8 | Very high | 96.4 | Very high | 100 Ų | 100 | 53.8 Ų | 53.8 | 54% | 0.535 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | 4.5 | 175.8 | -39.5 | -61 | 0 | 0 | 0 | 114.3 | R148 Q152 | R148-D150 IonicContact CZ-OD2 3.49Å; R148-D150 IonicContact NE-OD2 2.67Å; R148-D150 PolarHBondContact NE-OD2 3.25Å; R148-D150 IonicContact NH2-OD2 3.62Å; R148-D150 PolarHBondContact NH2-OD2 2.84Å; R148-D150 PolarHBondContact O-N 2.99Å; R148-D150 VanDerWaalsContact O-N 3.12Å; D150-Q152 VanDerWaalsContact C-N 3.32Å; D150-Q152 PolarHBondContact O-N 3.46Å |
| 151 | G | 95.7 | Very high | 96.3 | Very high | 40 Ų | 40 | 60.1 Ų | 60.1 | 41% | 0.412 | 32% | 0.323 | S | S | . | . | S | Bend | trans | 73.6 | 20.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | L121 R148 P149 | L121-G151 WeakPolarHBondContact CD1-O 3.24Å; L121-G151 VanDerWaalsContact CD2-O 3.3Å; L121-G151 WeakPolarHBondContact CD2-O 3.38Å; R148-G151 PolarHBondContact O-N 3.48Å; P149-G151 PolarHBondContact O-N 2.88Å; P149-G151 VanDerWaalsContact O-N 3.09Å |
| 152 | Q | 96.1 | Very high | 96.1 | Very high | 65 Ų | 65 | 62.2 Ų | 62.2 | 30% | 0.304 | 34% | 0.335 | S | S | . | . | trans | -111.2 | 147.6 | 174.4 | -60.7 | -172.2 | -14.2 | 0 | 0 | 111.3 | L118 R148 D150 | L118-Q152 HydrophobicContact CD2-CB 4.06Å; R148-Q152 WeakPolarHBondContact CB-O 3.34Å; R148-Q152 PolarHBondContact N-O 3.04Å; D150-Q152 VanDerWaalsContact C-N 3.32Å; D150-Q152 PolarHBondContact O-N 3.46Å | ||
| 153 | K | 98 | Very high | 95.8 | Very high | 26 Ų | 26 | 58.4 Ų | 58.4 | 11% | 0.113 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 125.4 | 176.3 | -171.8 | 174.3 | -68.4 | -172.6 | 0 | 109.6 | V119 L121 A123 T145 L146 | V119-K153 HydrophobicContact CB-CB 4.5Å; V119-K153 PolarHBondContact N-O 2.97Å; L121-K153 HydrophobicContact CD2-CB 4.21Å; L121-K153 WeakPolarHBondContact O-CE 3.33Å; L121-K153 PolarHBondContact O-NZ 3.35Å; A123-K153 PolarHBondContact O-NZ 2.8Å; T145-K153 HydrophobicContact CG2-CD 4.31Å; L146-K153 CarbonylContact O-C 3.54Å; L146-K153 WeakPolarHBondContact O-CA 3.23Å; L146-K153 WeakPolarHBondContact O-CG 3.43Å |
| 154 | K | 97.8 | Very high | 95.5 | Very high | 28 Ų | 28 | 62 Ų | 62 | 12% | 0.122 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 132.4 | 171 | -172.7 | -174.5 | -60.2 | -169.4 | 0 | 108.5 | L100 V116 F117 T145 L146 R148 Y156 | L100-K154 HydrophobicContact CD2-CD 3.86Å; L100-K154 VanDerWaalsContact CD2-CE 3.47Å; L100-K154 HydrophobicContact CD2-CG 4.33Å; V116-K154 HydrophobicContact CG1-CD 3.76Å; V116-K154 HydrophobicContact CG1-CG 3.55Å; F117-K154 WeakPolarHBondContact O-CA 3.47Å; T145-K154 CarbonylContact C-O 3.6Å; T145-K154 VanDerWaalsContact CA-O 3.3Å; T145-K154 WeakPolarHBondContact CA-O 3.37Å; L146-K154 HydrophobicContact CD2-CB 3.93Å; L146-K154 HydrophobicContact CD2-CD 4.15Å; L146-K154 HydrophobicContact CD2-CG 4.26Å; L146-K154 HydrophobicContact CG-CB 4.02Å; L146-K154 PolarHBondContact N-O 2.94Å; L146-K154 PolarHBondContact O-N 3.43Å; R148-K154 HydrophobicContact CG-CB 4.18Å; K154-Y156 HydrophobicContact CD-CE1 4.36Å; K154-Y156 HydrophobicContact CD-CE2 4.18Å |
| 155 | A | 98 | Very high | 95.3 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 123.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | V116 F117 V119 I128 V143 N144 T145 V157 | V116-A155 CarbonylContact C-O 3.46Å; V116-A155 VanDerWaalsContact CA-O 3.31Å; V116-A155 WeakPolarHBondContact CA-O 3.21Å; F117-A155 PolarHBondContact N-O 2.96Å; F117-A155 PolarHBondContact O-N 3.48Å; V119-A155 HydrophobicContact CG2-CB 3.59Å; I128-A155 HydrophobicContact CD1-CB 4.16Å; I128-A155 HydrophobicContact CG2-CB 4.24Å; V143-A155 HydrophobicContact CG1-CB 4.4Å; N144-A155 CarbonylContact O-C 3.56Å; N144-A155 VanDerWaalsContact O-CA 3.31Å; N144-A155 WeakPolarHBondContact O-CA 3.37Å; T145-A155 HydrophobicContact CG2-CB 4.11Å; A155-V157 HydrophobicContact CB-CG2 4.48Å |
| 156 | Y | 97.7 | Very high | 95 | Very high | 66 Ų | 66 | 59.9 Ų | 59.9 | 26% | 0.259 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 119.7 | 166.1 | -60.9 | -81.7 | 0 | 0 | 0 | 108.2 | K108 V116 V143 N144 L146 K154 | K108-Y156 HydrophobicContact CG-CE1 4.48Å; V116-Y156 HydrophobicContact CB-CD1 4.44Å; V116-Y156 HydrophobicContact CG1-CD1 4.13Å; V116-Y156 HydrophobicContact CG1-CE1 4.03Å; V116-Y156 HydrophobicContact CG2-CD1 3.56Å; V116-Y156 HydrophobicContact CG2-CE1 3.75Å; V143-Y156 CarbonylContact C-O 3.59Å; V143-Y156 WeakPolarHBondContact CA-O 3.35Å; N144-Y156 PolarHBondContact N-O 3.42Å; N144-Y156 PolarHBondContact O-N 3.21Å; L146-Y156 HydrophobicContact CD2-CD2 3.81Å; L146-Y156 HydrophobicContact CD2-CE2 3.21Å; K154-Y156 HydrophobicContact CD-CE1 4.36Å; K154-Y156 HydrophobicContact CD-CE2 4.18Å |
| 157 | V | 96.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 104.2 | -176.4 | -176.2 | 0 | 0 | 0 | 0 | 107.1 | T114 L115 F117 I128 V132 A140 V143 A155 L159 | T114-V157 CarbonylContact C-O 3.46Å; T114-V157 VanDerWaalsContact CA-O 3.27Å; T114-V157 WeakPolarHBondContact CA-O 3.25Å; L115-V157 PolarHBondContact N-O 3.22Å; L115-V157 PolarHBondContact O-N 2.79Å; F117-V157 HydrophobicContact CD2-CB 4.45Å; F117-V157 HydrophobicContact CD2-CG2 3.76Å; F117-V157 HydrophobicContact CE2-CB 4.4Å; F117-V157 HydrophobicContact CE2-CG2 4.12Å; I128-V157 HydrophobicContact CG2-CG2 4.31Å; V132-V157 HydrophobicContact CG1-CG1 4.32Å; V132-V157 HydrophobicContact CG2-CG1 4.34Å; V132-V157 HydrophobicContact CG2-CG2 4.24Å; A140-V157 HydrophobicContact CB-CG1 3.41Å; A140-V157 VanDerWaalsContact CB-CG1 3.41Å; V143-V157 HydrophobicContact CG1-CG2 4.41Å; V143-V157 HydrophobicContact CG2-CG1 4.32Å; V143-V157 HydrophobicContact CG2-CG2 4.36Å; A155-V157 HydrophobicContact CB-CG2 4.48Å; V157-L159 HydrophobicContact CG1-CD2 4.04Å |
| 158 | H | 96.1 | Very high | 94.3 | Very high | 71 Ų | 71 | 56.6 Ų | 56.6 | 33% | 0.329 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 125.5 | 174.4 | -170.3 | 54.6 | 0 | 0 | 0 | 109 | N112 N113 T114 A140 D141 K142 | N112-H158 PolarHBondContact O-CE1 3.01Å; N112-H158 PolarHBondContact O-ND1 3.39Å; N113-H158 PolarHBondContact O-ND1 2.84Å; T114-H158 HydrophobicContact CG2-CB 3.85Å; A140-H158 CarbonylContact C-O 3.56Å; A140-H158 WeakPolarHBondContact CA-O 3.4Å; D141-H158 PolarHBondContact N-O 3.29Å; K142-H158 HydrophobicContact CB-CB 4.31Å; K142-H158 PolarHBondContact O-N 2.92Å |
| 159 | L | 95.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 159.1 | 179.8 | -51.7 | -166.8 | 0 | 0 | 0 | 110.1 | N113 L115 I138 V157 A165 I168 | N113-L159 PolarHBondContact O-N 3.48Å; L115-L159 HydrophobicContact CD1-CD1 4.04Å; L115-L159 HydrophobicContact CD1-CD2 4.25Å; L115-L159 HydrophobicContact CG-CD1 4.1Å; L115-L159 HydrophobicContact CG-CD2 4.43Å; L115-L159 HydrophobicContact CG-CG 4.45Å; I138-L159 HydrophobicContact CG2-CD1 3.89Å; I138-L159 HydrophobicContact CG2-CD2 3.41Å; I138-L159 VanDerWaalsContact CG2-CD2 3.41Å; I138-L159 HydrophobicContact CG2-CG 4.16Å; V157-L159 HydrophobicContact CG1-CD2 4.04Å; L159-A165 HydrophobicContact CD1-CB 3.8Å; L159-A165 HydrophobicContact CG-CB 4.49Å; L159-I168 HydrophobicContact CD1-CD1 3.48Å; L159-I168 VanDerWaalsContact CD1-CD1 3.48Å |
| 160 | A | 92.1 | Very high | 93.7 | Very high | 12 Ų | 12 | 51.5 Ų | 51.5 | 10% | 0.099 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 152.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | N113 D139 D141 D162 V163 | N113-A160 PolarHBondContact ND2-O 2.95Å; D139-A160 PolarHBondContact O-N 3.37Å; D141-A160 WeakPolarHBondContact OD2-CA 3.34Å; A160-D162 WeakPolarHBondContact CB-OD1 3.36Å; A160-D162 PolarHBondContact O-N 3.4Å; A160-V163 PolarHBondContact O-N 3.49Å |
| 161 | T | 90.4 | Very high | 93.4 | Very high | 135 Ų | 135 | 53.4 Ų | 53.4 | 83% | 0.828 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -19 | -171.7 | 51.4 | 0 | 0 | 0 | 0 | 114.3 | V163 | T161-V163 VanDerWaalsContact C-N 3.28Š|
| 162 | D | 90.5 | Very high | 93.1 | Very high | 131 Ų | 131 | 51.7 Ų | 51.7 | 70% | 0.701 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -15 | 177.9 | 58.6 | -45.3 | 0 | 0 | 0 | 113.2 | A160 | A160-D162 WeakPolarHBondContact CB-OD1 3.36Å; A160-D162 PolarHBondContact O-N 3.4Å |
| 163 | V | 89.8 | Confident | 92.5 | Very high | 48 Ų | 48 | 50.8 Ų | 50.8 | 29% | 0.291 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -121.1 | 126.2 | -177 | -156.6 | 0 | 0 | 0 | 0 | 111.1 | N113 A160 T161 I168 | N113-V163 PolarHBondContact ND2-O 2.92Å; N113-V163 PolarHBondContact OD1-O 3.49Å; A160-V163 PolarHBondContact O-N 3.49Å; T161-V163 VanDerWaalsContact C-N 3.28Å; V163-I168 HydrophobicContact CB-CD1 4.19Å; V163-I168 HydrophobicContact CG1-CD1 3.28Å; V163-I168 HydrophobicContact CG1-CG1 4.02Å |
| 164 | D | 91.5 | Very high | 91.5 | Very high | 84 Ų | 84 | 55.1 Ų | 55.1 | 45% | 0.449 | 29% | 0.286 | S | S | . | . | trans | -79.4 | 122.7 | 176.9 | -168.2 | -10.2 | 0 | 0 | 0 | 111.3 | L166 I168 | D164-L166 PolarHBondContact O-N 3.07Å; D164-L166 PolarHBondContact OD1-N 2.78Å; D164-I168 PolarHBondContact O-N 3.26Å | ||
| 165 | A | 93.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.8 | -27.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | I109 N113 L115 L159 A169 | I109-A165 HydrophobicContact CG2-CB 3.89Å; N113-A165 WeakPolarHBondContact OD1-CA 3.28Å; N113-A165 WeakPolarHBondContact OD1-CB 3.21Å; N113-A165 PolarHBondContact OD1-N 3.49Å; L115-A165 HydrophobicContact CD2-CB 4.22Å; L115-A165 HydrophobicContact CG-CB 4.44Å; L159-A165 HydrophobicContact CD1-CB 3.8Å; L159-A165 HydrophobicContact CG-CB 4.49Å; A165-A169 WeakPolarHBondContact O-CB 3.5Å; A165-A169 PolarHBondContact O-N 3.04Å |
| 166 | L | 92.4 | Very high | 89.6 | Confident | 71 Ų | 71 | 61.4 Ų | 61.4 | 37% | 0.372 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -67.1 | -46.9 | -179 | -172.6 | 61.9 | 0 | 0 | 0 | 111.4 | I109 D164 I168 A169 N170 | I109-L166 HydrophobicContact CG2-CB 4.45Å; I109-L166 HydrophobicContact CG2-CD1 4.34Å; D164-L166 PolarHBondContact O-N 3.07Å; D164-L166 PolarHBondContact OD1-N 2.78Å; L166-I168 VanDerWaalsContact C-N 3.32Å; L166-I168 PolarHBondContact O-N 3.48Å; L166-A169 PolarHBondContact O-N 2.81Å; L166-N170 PolarHBondContact O-N 2.74Å; L166-N170 PolarHBondContact O-ND2 2.86Å |
| 167 | D | 90.6 | Very high | 88.5 | Confident | 98 Ų | 98 | 64.4 Ų | 64.4 | 52% | 0.524 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.1 | -41 | 176.9 | -78.2 | -14.3 | 0 | 0 | 0 | 112.2 | K171 | D167-K171 PolarHBondContact O-N 3.46Å |
| 168 | I | 91.2 | Very high | 86.5 | Confident | 16 Ų | 16 | 70.1 Ų | 70.1 | 8% | 0.082 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -68.5 | -42.9 | 175.7 | -66.6 | 168 | 0 | 0 | 0 | 110.7 | L115 I138 L159 V163 D164 L166 N170 K171 V172 | L115-I168 HydrophobicContact CD1-CB 4.45Å; L115-I168 HydrophobicContact CD1-CG2 3.67Å; I138-I168 HydrophobicContact CB-CD1 4.45Å; I138-I168 HydrophobicContact CD1-CD1 4.37Å; I138-I168 HydrophobicContact CD1-CG2 3.35Å; I138-I168 HydrophobicContact CG1-CD1 3.9Å; I138-I168 HydrophobicContact CG1-CG1 4.47Å; I138-I168 HydrophobicContact CG1-CG2 3.82Å; I138-I168 HydrophobicContact CG2-CD1 3.76Å; L159-I168 HydrophobicContact CD1-CD1 3.48Å; L159-I168 VanDerWaalsContact CD1-CD1 3.48Å; V163-I168 HydrophobicContact CB-CD1 4.19Å; V163-I168 HydrophobicContact CG1-CD1 3.28Å; V163-I168 HydrophobicContact CG1-CG1 4.02Å; D164-I168 PolarHBondContact O-N 3.26Å; L166-I168 VanDerWaalsContact C-N 3.32Å; L166-I168 PolarHBondContact O-N 3.48Å; I168-N170 VanDerWaalsContact C-N 3.26Å; I168-N170 PolarHBondContact O-N 2.99Å; I168-K171 WeakPolarHBondContact O-CB 3.46Å; I168-K171 PolarHBondContact O-N 3.16Å; I168-V172 HydrophobicContact CG2-CG2 3.73Å; I168-V172 VanDerWaalsContact O-CG2 3.31Å; I168-V172 WeakPolarHBondContact O-CG2 3.4Å; I168-V172 PolarHBondContact O-N 2.83Å |
| 169 | A | 92 | Very high | 86 | Confident | 3 Ų | 3 | 70.1 Ų | 70.1 | 3% | 0.025 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -57.6 | -43.1 | -179 | 0 | 0 | 0 | 0 | 0 | 110.4 | I109 L115 A165 L166 K171 V172 I173 | I109-A169 HydrophobicContact CD1-CB 3.95Å; I109-A169 HydrophobicContact CG2-CB 4.04Å; L115-A169 HydrophobicContact CD2-CB 3.96Å; A165-A169 WeakPolarHBondContact O-CB 3.5Å; A165-A169 PolarHBondContact O-N 3.04Å; L166-A169 PolarHBondContact O-N 2.81Å; A169-K171 VanDerWaalsContact C-N 3.33Å; A169-K171 PolarHBondContact O-N 3.3Å; A169-V172 PolarHBondContact O-N 2.86Å; A169-I173 HydrophobicContact CB-CD1 4.1Å; A169-I173 WeakPolarHBondContact O-CB 3.28Å; A169-I173 WeakPolarHBondContact O-CD1 3.49Å; A169-I173 WeakPolarHBondContact O-CG1 3.5Å; A169-I173 PolarHBondContact O-N 2.98Å |
| 170 | N | 88.5 | Confident | 85.5 | Confident | 87 Ų | 87 | 73.7 Ų | 73.7 | 47% | 0.465 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -57.3 | -45.4 | 175.2 | -69.1 | -28.1 | 0 | 0 | 0 | 111.8 | L166 I168 I174 | L166-N170 PolarHBondContact O-N 2.74Å; L166-N170 PolarHBondContact O-ND2 2.86Å; I168-N170 VanDerWaalsContact C-N 3.26Å; I168-N170 PolarHBondContact O-N 2.99Å; N170-I174 WeakPolarHBondContact O-CB 3.21Å; N170-I174 VanDerWaalsContact O-CD1 3.31Å; N170-I174 WeakPolarHBondContact O-CD1 3.33Å; N170-I174 WeakPolarHBondContact O-CG1 3.32Å; N170-I174 PolarHBondContact O-N 3.48Å |
| 171 | K | 87.6 | Confident | 85.2 | Confident | 141 Ų | 141 | 77.2 Ų | 77.2 | 61% | 0.613 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -63.9 | -42.1 | 176.3 | -65.9 | 170.7 | -177.4 | 168.2 | 0 | 112.5 | D167 I168 A169 N175 | D167-K171 PolarHBondContact O-N 3.46Å; I168-K171 WeakPolarHBondContact O-CB 3.46Å; I168-K171 PolarHBondContact O-N 3.16Å; A169-K171 VanDerWaalsContact C-N 3.33Å; A169-K171 PolarHBondContact O-N 3.3Å; K171-N175 WeakPolarHBondContact O-CB 3.22Å; K171-N175 PolarHBondContact O-N 2.89Å; K171-N175 PolarHBondContact O-ND2 3.35Å; K171-N175 VanDerWaalsContact O-ND2 3.15Å |
| 172 | V | 88.8 | Confident | 84.8 | Confident | 4 Ų | 4 | 73.8 Ų | 73.8 | 2% | 0.024 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -74.6 | -41.5 | -176.5 | 174.2 | 0 | 0 | 0 | 0 | 111.7 | P99 F117 Y136 I168 A169 N175 A176 | P99-V172 HydrophobicContact CB-CG1 4.15Å; P99-V172 HydrophobicContact CG-CG1 4.08Å; F117-V172 HydrophobicContact CE1-CG1 3.98Å; F117-V172 HydrophobicContact CZ-CG1 4.45Å; Y136-V172 HydrophobicContact CD1-CG2 3.73Å; Y136-V172 HydrophobicContact CD2-CG2 4.35Å; Y136-V172 HydrophobicContact CE1-CB 4.46Å; Y136-V172 HydrophobicContact CE1-CG1 4.04Å; Y136-V172 HydrophobicContact CE1-CG2 3.96Å; Y136-V172 HydrophobicContact CE2-CG1 4.33Å; Y136-V172 HydrophobicContact CG-CG2 3.93Å; I168-V172 HydrophobicContact CG2-CG2 3.73Å; I168-V172 VanDerWaalsContact O-CG2 3.31Å; I168-V172 WeakPolarHBondContact O-CG2 3.4Å; I168-V172 PolarHBondContact O-N 2.83Å; A169-V172 PolarHBondContact O-N 2.86Å; V172-N175 PolarHBondContact O-N 2.8Å; V172-A176 VanDerWaalsContact O-CB 3.3Å; V172-A176 WeakPolarHBondContact O-CB 3.49Å; V172-A176 PolarHBondContact O-N 2.81Å |
| 173 | I | 84.4 | Confident | 84.5 | Confident | 46 Ų | 46 | 70.2 Ų | 70.2 | 24% | 0.236 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -67.2 | -44.5 | -178.2 | -68.9 | 167.4 | 0 | 0 | 0 | 110 | T101 A169 N175 A176 Y177 | T101-I173 HydrophobicContact CG2-CD1 4.49Å; T101-I173 HydrophobicContact CG2-CG1 4.34Å; A169-I173 HydrophobicContact CB-CD1 4.1Å; A169-I173 WeakPolarHBondContact O-CB 3.28Å; A169-I173 WeakPolarHBondContact O-CD1 3.49Å; A169-I173 WeakPolarHBondContact O-CG1 3.5Å; A169-I173 PolarHBondContact O-N 2.98Å; I173-N175 VanDerWaalsContact C-N 3.34Å; I173-N175 PolarHBondContact O-N 3.44Å; I173-A176 PolarHBondContact O-N 3.47Å; I173-Y177 HydrophobicContact CG2-CD2 4.24Å; I173-Y177 WeakPolarHBondContact O-CD2 3.09Å; I173-Y177 PolarHBondContact O-N 3.46Å |
| 174 | I | 77.6 | Confident | 84.1 | Confident | 116 Ų | 116 | 71.7 Ų | 71.7 | 60% | 0.595 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -58.7 | -47.3 | 175.3 | -67.4 | 167.4 | 0 | 0 | 0 | 110.3 | N170 A176 Y177 G178 | N170-I174 WeakPolarHBondContact O-CB 3.21Å; N170-I174 VanDerWaalsContact O-CD1 3.31Å; N170-I174 WeakPolarHBondContact O-CD1 3.33Å; N170-I174 WeakPolarHBondContact O-CG1 3.32Å; N170-I174 PolarHBondContact O-N 3.48Å; I174-A176 VanDerWaalsContact C-N 3.28Å; I174-A176 PolarHBondContact O-N 3.08Å; I174-Y177 PolarHBondContact O-N 2.98Å; I174-G178 WeakPolarHBondContact O-CA 3.38Å; I174-G178 PolarHBondContact O-N 3.44Å |
| 175 | N | 78.5 | Confident | 83.6 | Confident | 120 Ų | 120 | 70.8 Ų | 70.8 | 64% | 0.642 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -71.8 | -17.9 | -178.2 | -70 | -18.2 | 0 | 0 | 0 | 114.6 | K171 V172 I173 | K171-N175 WeakPolarHBondContact O-CB 3.22Å; K171-N175 PolarHBondContact O-N 2.89Å; K171-N175 PolarHBondContact O-ND2 3.35Å; K171-N175 VanDerWaalsContact O-ND2 3.15Å; V172-N175 PolarHBondContact O-N 2.8Å; I173-N175 VanDerWaalsContact C-N 3.34Å; I173-N175 PolarHBondContact O-N 3.44Å |
| 176 | A | 76.8 | Confident | 82.9 | Confident | 40 Ų | 40 | 76.2 Ų | 76.2 | 33% | 0.331 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -89.4 | -24.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | P99 V172 I173 I174 | P99-A176 VanDerWaalsContact CD-CB 3.46Å; P99-A176 HydrophobicContact CG-CB 3.72Å; V172-A176 VanDerWaalsContact O-CB 3.3Å; V172-A176 WeakPolarHBondContact O-CB 3.49Å; V172-A176 PolarHBondContact O-N 2.81Å; I173-A176 PolarHBondContact O-N 3.47Å; I174-A176 VanDerWaalsContact C-N 3.28Å; I174-A176 PolarHBondContact O-N 3.08Å |
| 177 | Y | 75.2 | Confident | 82.1 | Confident | 130 Ų | 130 | 76.7 Ų | 76.7 | 51% | 0.51 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -125 | -8 | -174.2 | -65.8 | -75.4 | 0 | 0 | 0 | 114.5 | P99 T101 I173 I174 | P99-Y177 HydrophobicContact CG-CE2 4.21Å; T101-Y177 HydrophobicContact CG2-CE2 3.8Å; I173-Y177 HydrophobicContact CG2-CD2 4.24Å; I173-Y177 WeakPolarHBondContact O-CD2 3.09Å; I173-Y177 PolarHBondContact O-N 3.46Å; I174-Y177 PolarHBondContact O-N 2.98Å |
| 178 | G | 54 | Low | 81.3 | Confident | 119 Ų | 119 | 74.7 Ų | 74.7 | 100% | 1.227 | 43% | 0.432 | S | S | * | . | trans | -86.7 | 0 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | I174 | I174-G178 WeakPolarHBondContact O-CA 3.38Å; I174-G178 PolarHBondContact O-N 3.44Å |
Retrieved 178 of 178 residues in 330.5 ms
(Link to these results)