| 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 | 34.9 | Very low | 44.1 | Very low | 240 Ų | 240 | 159.1 Ų | 159.1 | 100% | 1.182 | 85% | 0.846 | S | S | * | * | 0 | 126.9 | 0 | -75.6 | 172.9 | 144.4 | 0 | 0 | 108.6 | |||||
| 2 | S | 41 | Very low | 44.3 | Very low | 115 Ų | 115 | 160.9 Ų | 160.9 | 80% | 0.804 | 85% | 0.846 | S | S | * | * | trans | 51.2 | 99.6 | 158.4 | -50.6 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 3 | R | 44.6 | Very low | 44.1 | Very low | 220 Ų | 220 | 159.9 Ų | 159.9 | 83% | 0.83 | 84% | 0.842 | S | S | * | * | 45.3 | 117.6 | 82.5 | -72.7 | -161.7 | -73.6 | 161.9 | -5.6 | 116 | |||||
| 4 | K | 47.9 | Very low | 43.8 | Very low | 208 Ų | 208 | 163.9 Ų | 163.9 | 90% | 0.904 | 84% | 0.84 | S | S | * | * | -164.7 | 104.8 | 126.3 | -67.4 | -138.2 | 174.1 | -169 | 0 | 107.1 | |||||
| 5 | L | 40.5 | Very low | 43.6 | Very low | 150 Ų | 150 | 161.5 Ų | 161.5 | 79% | 0.785 | 84% | 0.836 | S | S | * | * | 47 | 94.8 | 72.1 | -63.2 | -179 | 0 | 0 | 0 | 113.8 | |||||
| 6 | S | 45.8 | Very low | 43.6 | Very low | 112 Ų | 112 | 165 Ų | 165 | 78% | 0.783 | 84% | 0.835 | S | S | * | * | trans | -87.7 | 145.4 | 161.3 | -157.5 | 0 | 0 | 0 | 0 | 108.9 | E8 | S6-E8 PolarHBondContact O-N 3.03Š| ||
| 7 | P | 50.9 | Low | 43.7 | Very low | 118 Ų | 118 | 165.2 Ų | 165.2 | 77% | 0.766 | 83% | 0.831 | S | S | * | * | trans | -80.6 | 113.3 | -172.1 | -2.6 | 21.1 | 0 | 0 | 0 | 110.9 | ||||
| 8 | E | 42.5 | Very low | 43.1 | Very low | 186 Ų | 186 | 159.6 Ų | 159.6 | 87% | 0.869 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -71 | 122.5 | 162.4 | -167.3 | 153 | 108.7 | 0 | 0 | 108.3 | S6 | S6-E8 PolarHBondContact O-N 3.03Š|
| 9 | V | 46.8 | Very low | 42.8 | Very low | 130 Ų | 130 | 164.8 Ų | 164.8 | 79% | 0.788 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 125.8 | 175.6 | 175.9 | 0 | 0 | 0 | 0 | 107.6 | D11 | V9-D11 PolarHBondContact O-N 2.7Š|
| 10 | P | 43.9 | Very low | 42.7 | Very low | 123 Ų | 123 | 165.2 Ų | 165.2 | 80% | 0.799 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 116.9 | -176.1 | -10.4 | 26.3 | 0 | 0 | 0 | 111.5 | ||
| 11 | D | 46.3 | Very low | 42.8 | Very low | 148 Ų | 148 | 164.1 Ų | 164.1 | 79% | 0.791 | 82% | 0.822 | S | S | * | * | trans | -107.4 | 106 | 155.3 | -179.4 | 21.4 | 0 | 0 | 0 | 107.6 | V9 | V9-D11 PolarHBondContact O-N 2.7Š| ||
| 12 | E | 46.7 | Very low | 43 | Very low | 181 Ų | 181 | 157.8 Ų | 157.8 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | trans | 177.4 | 82.8 | 147.7 | 51 | -165.3 | 169.7 | 0 | 0 | 110.1 | R14 | E12-R14 VanDerWaalsContact C-N 3.3Å; E12-R14 PolarHBondContact O-N 3.1Å | ||
| 13 | N | 41.3 | Very low | 43.3 | Very low | 148 Ų | 148 | 162.1 Ų | 162.1 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | trans | -59.4 | 93.7 | 157.4 | 164.5 | 21.6 | 0 | 0 | 0 | 109.9 | ||||
| 14 | R | 40.8 | Very low | 43 | Very low | 216 Ų | 216 | 157.5 Ų | 157.5 | 82% | 0.815 | 79% | 0.792 | S | S | * | * | 30 | 110.7 | 126.2 | -166.1 | -179.2 | -159.2 | 170.3 | 4.8 | 115.9 | E12 | E12-R14 VanDerWaalsContact C-N 3.3Å; E12-R14 PolarHBondContact O-N 3.1Å | |||
| 15 | T | 40.9 | Very low | 42.7 | Very low | 127 Ų | 127 | 152.8 Ų | 152.8 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | trans | 161.1 | 82.7 | 141.8 | -69.5 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 16 | R | 42.3 | Very low | 42.9 | Very low | 218 Ų | 218 | 154.4 Ų | 154.4 | 82% | 0.823 | 79% | 0.789 | S | S | * | * | 18.4 | 102.4 | 88.5 | -69.8 | -171.5 | 165.9 | -159.1 | -5 | 109.5 | |||||
| 17 | H | 45.6 | Very low | 43 | Very low | 168 Ų | 168 | 158.1 Ų | 158.1 | 78% | 0.778 | 79% | 0.791 | S | S | * | * | -151.2 | 129.7 | 63.9 | -68.3 | -87.5 | 0 | 0 | 0 | 109.5 | |||||
| 18 | G | 32.7 | Very low | 42.7 | Very low | 65 Ų | 65 | 157.9 Ų | 157.9 | 67% | 0.67 | 79% | 0.787 | S | S | * | * | trans | -61.2 | 138.2 | 166 | 0 | 0 | 0 | 0 | 0 | 109.3 | E20 | G18-E20 PolarHBondContact O-N 2.79Š| ||
| 19 | W | 38.2 | Very low | 43.3 | Very low | 259 Ų | 259 | 156.9 Ų | 156.9 | 98% | 0.981 | 79% | 0.787 | S | S | * | * | trans | -63.7 | 86.6 | 168.1 | -61.9 | 96.7 | 0 | 0 | 0 | 107.9 | E21 | W19-E21 PolarHBondContact O-N 3.19Š| ||
| 20 | E | 39.6 | Very low | 43.2 | Very low | 172 Ų | 172 | 156.6 Ų | 156.6 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | -64.9 | 107 | 164.9 | -69.7 | -165.9 | 173.1 | 0 | 0 | 107.1 | G18 T22 | G18-E20 PolarHBondContact O-N 2.79Å; E20-T22 PolarHBondContact O-N 3.24Å | ||
| 21 | E | 45.3 | Very low | 43.5 | Very low | 142 Ų | 142 | 156.7 Ų | 156.7 | 66% | 0.664 | 78% | 0.781 | S | S | * | * | trans | -66.5 | 72.9 | 169.6 | -166.6 | -176.4 | 162.2 | 0 | 0 | 108.7 | W19 R23 | W19-E21 PolarHBondContact O-N 3.19Å; E21-R23 VanDerWaalsContact C-N 3.31Å; E21-R23 HydrophobicContact CG-CG 4.21Å; E21-R23 PolarHBondContact O-N 2.92Å; E21-R23 IonicContact OE1-CZ 3.27Å; E21-R23 VanDerWaalsContact OE1-CZ 3.27Å; E21-R23 IonicContact OE1-NE 2.87Å; E21-R23 PolarHBondContact OE1-NE 3.15Å; E21-R23 IonicContact OE1-NH2 2.8Å; E21-R23 PolarHBondContact OE1-NH2 3.21Å | ||
| 22 | T | 39.9 | Very low | 43.4 | Very low | 108 Ų | 108 | 155.9 Ų | 155.9 | 66% | 0.663 | 78% | 0.781 | S | S | * | * | trans | -73.3 | 94.6 | 159.9 | 42.2 | 0 | 0 | 0 | 0 | 107.5 | E20 T24 | E20-T22 PolarHBondContact O-N 3.24Å; T22-T24 PolarHBondContact O-N 3.42Å; T22-T24 PolarHBondContact O-OG1 3.41Å | ||
| 23 | R | 46.8 | Very low | 43.6 | Very low | 205 Ų | 205 | 152.4 Ų | 152.4 | 77% | 0.774 | 77% | 0.772 | S | S | * | * | trans | -61.7 | 79.4 | 157.8 | -63.2 | -176.8 | -176.8 | 167.8 | 2.7 | 108.1 | E21 S25 | E21-R23 VanDerWaalsContact C-N 3.31Å; E21-R23 HydrophobicContact CG-CG 4.21Å; E21-R23 PolarHBondContact O-N 2.92Å; E21-R23 IonicContact OE1-CZ 3.27Å; E21-R23 VanDerWaalsContact OE1-CZ 3.27Å; E21-R23 IonicContact OE1-NE 2.87Å; E21-R23 PolarHBondContact OE1-NE 3.15Å; E21-R23 IonicContact OE1-NH2 2.8Å; E21-R23 PolarHBondContact OE1-NH2 3.21Å; R23-S25 PolarHBondContact O-N 3.01Å; R23-S25 VanDerWaalsContact O-N 3.12Å | ||
| 24 | T | 38.6 | Very low | 44.3 | Very low | 123 Ų | 123 | 149.2 Ų | 149.2 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | trans | -74.4 | 99 | 166.4 | -15.7 | 0 | 0 | 0 | 0 | 105.7 | T22 E26 | T22-T24 PolarHBondContact O-N 3.42Å; T22-T24 PolarHBondContact O-OG1 3.41Å; T24-E26 PolarHBondContact O-N 2.97Å | ||
| 25 | S | 40.8 | Very low | 45.2 | Very low | 110 Ų | 110 | 143 Ų | 143 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | trans | -44.8 | 111.8 | 173.7 | -67.2 | 0 | 0 | 0 | 0 | 110.1 | R23 K27 | R23-S25 PolarHBondContact O-N 3.01Å; R23-S25 VanDerWaalsContact O-N 3.12Å; S25-K27 PolarHBondContact O-N 2.97Å | ||
| 26 | E | 44.8 | Very low | 46 | Very low | 183 Ų | 183 | 143.1 Ų | 143.1 | 86% | 0.855 | 75% | 0.752 | S | S | * | * | trans | -67 | 82.8 | 169.3 | -167.6 | 178.1 | 154.5 | 0 | 0 | 107.7 | T24 V28 | T24-E26 PolarHBondContact O-N 2.97Å; E26-V28 VanDerWaalsContact C-N 3.25Å; E26-V28 PolarHBondContact O-N 2.97Å | ||
| 27 | K | 47.7 | Very low | 46.9 | Very low | 191 Ų | 191 | 137.2 Ų | 137.2 | 83% | 0.83 | 74% | 0.736 | S | S | * | * | trans | -70.7 | 93.3 | 169.2 | -165.8 | 171.1 | -170.9 | -82.1 | 0 | 105.3 | S25 L29 | S25-K27 PolarHBondContact O-N 2.97Å; K27-L29 PolarHBondContact O-N 2.87Å | ||
| 28 | V | 45.7 | Very low | 48.2 | Very low | 112 Ų | 112 | 135.4 Ų | 135.4 | 68% | 0.679 | 73% | 0.726 | S | S | * | * | trans | -32.8 | 101.1 | 169.1 | 176.7 | 0 | 0 | 0 | 0 | 108.7 | E26 N30 | E26-V28 VanDerWaalsContact C-N 3.25Å; E26-V28 PolarHBondContact O-N 2.97Å; V28-N30 PolarHBondContact O-N 2.75Å | ||
| 29 | L | 55.1 | Low | 49.8 | Very low | 166 Ų | 166 | 136.3 Ų | 136.3 | 87% | 0.869 | 72% | 0.72 | S | S | * | * | trans | -77 | 107.7 | 174.5 | -166.5 | 74 | 0 | 0 | 0 | 104.9 | K27 | K27-L29 PolarHBondContact O-N 2.87Š| ||
| 30 | N | 44.9 | Very low | 51.3 | Low | 123 Ų | 123 | 128.9 Ų | 128.9 | 66% | 0.658 | 70% | 0.699 | S | S | * | * | trans | -47.4 | 144 | 173.4 | -65.5 | -56.3 | 0 | 0 | 0 | 110 | V28 V32 | V28-N30 PolarHBondContact O-N 2.75Å; N30-V32 PolarHBondContact O-N 2.93Å | ||
| 31 | P | 49 | Very low | 52.8 | Low | 125 Ų | 125 | 126.2 Ų | 126.2 | 81% | 0.812 | 69% | 0.687 | S | S | * | * | trans | -65.4 | 88.7 | 168 | 28.4 | -32.5 | 0 | 0 | 0 | 107.8 | V33 | P31-V33 PolarHBondContact O-N 2.95Š| ||
| 32 | V | 44.6 | Very low | 54.2 | Low | 131 Ų | 131 | 124.1 Ų | 124.1 | 79% | 0.794 | 68% | 0.68 | S | S | * | * | trans | -60.7 | 108.8 | 163.8 | 135.4 | 0 | 0 | 0 | 0 | 104.9 | N30 A34 | N30-V32 PolarHBondContact O-N 2.93Å; V32-A34 PolarHBondContact O-N 2.79Å | ||
| 33 | V | 51.4 | Low | 55.8 | Low | 108 Ų | 108 | 124.9 Ų | 124.9 | 66% | 0.655 | 67% | 0.674 | S | S | * | * | trans | -32.5 | 122.1 | 169.2 | -70.8 | 0 | 0 | 0 | 0 | 110.3 | P31 S35 | P31-V33 PolarHBondContact O-N 2.95Å; V33-S35 WeakPolarHBondContact CB-OG 2.99Å; V33-S35 WeakPolarHBondContact CG2-OG 3.35Å; V33-S35 PolarHBondContact O-N 3.06Å | ||
| 34 | A | 55.7 | Low | 57.1 | Low | 81 Ų | 81 | 120 Ų | 120 | 67% | 0.669 | 67% | 0.667 | S | S | * | * | trans | -70.4 | 63 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | V32 I37 | V32-A34 PolarHBondContact O-N 2.79Å; A34-I37 HydrophobicContact CB-CD1 4.08Å | ||
| 35 | S | 58.8 | Low | 58.9 | Low | 86 Ų | 86 | 119.6 Ų | 119.6 | 60% | 0.601 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | -9.6 | -172.4 | -59.7 | 0 | 0 | 0 | 0 | 113.8 | V33 | V33-S35 WeakPolarHBondContact CB-OG 2.99Å; V33-S35 WeakPolarHBondContact CG2-OG 3.35Å; V33-S35 PolarHBondContact O-N 3.06Å |
| 36 | D | 59.5 | Low | 60.5 | Low | 130 Ų | 130 | 120 Ų | 120 | 70% | 0.695 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.2 | 28.8 | -174.3 | -61.3 | -32.1 | 0 | 0 | 0 | 113.8 | F38 | D36-F38 PolarHBondContact O-N 3.16Š|
| 37 | I | 61.2 | Low | 61.7 | Low | 94 Ų | 94 | 121.1 Ų | 121.1 | 48% | 0.482 | 65% | 0.646 | S | S | . | * | trans | -81.9 | 95.7 | 166.7 | -58.8 | 173.8 | 0 | 0 | 0 | 107.9 | A34 Q41 L42 | A34-I37 HydrophobicContact CB-CD1 4.08Å; I37-Q41 HydrophobicContact CG2-CB 4.36Å; I37-L42 HydrophobicContact CG2-CB 4.37Å | ||
| 38 | F | 71.5 | Confident | 62.7 | Low | 130 Ų | 130 | 113.6 Ų | 113.6 | 57% | 0.57 | 62% | 0.623 | S | S | * | * | trans | -57.9 | 144.1 | 173.3 | -66.6 | -85.3 | 0 | 0 | 0 | 111.1 | D36 D40 Q41 L42 | D36-F38 PolarHBondContact O-N 3.16Å; F38-D40 PolarHBondContact O-N 3.09Å; F38-Q41 WeakPolarHBondContact O-CB 3.23Å; F38-Q41 PolarHBondContact O-N 3.12Å; F38-L42 PolarHBondContact O-N 3.46Å | ||
| 39 | P | 67.1 | Low | 63.7 | Low | 84 Ų | 84 | 115.9 Ų | 115.9 | 55% | 0.545 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -57.1 | -25.6 | -174.8 | 21.1 | -33.2 | 0 | 0 | 0 | 113.9 | L42 K43 | P39-L42 PolarHBondContact O-N 3.08Å; P39-K43 WeakPolarHBondContact O-CG 3.11Å; P39-K43 PolarHBondContact O-N 3.38Å |
| 40 | D | 69.4 | Low | 64.3 | Low | 102 Ų | 102 | 113.4 Ų | 113.4 | 55% | 0.545 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -79.4 | -27.3 | 178.7 | -60.1 | -34.2 | 0 | 0 | 0 | 113.3 | F38 L42 K43 T44 | F38-D40 PolarHBondContact O-N 3.09Å; D40-L42 VanDerWaalsContact C-N 3.34Å; D40-K43 IonicContact OD1-NZ 3.92Å; D40-K43 PolarHBondContact OD1-NZ 2.7Å; D40-T44 PolarHBondContact O-N 3.25Å; D40-T44 VanDerWaalsContact O-N 3.14Å; D40-T44 PolarHBondContact O-OG1 2.95Å |
| 41 | Q | 70.9 | Confident | 65.1 | Low | 116 Ų | 116 | 113.2 Ų | 113.2 | 54% | 0.542 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -69.9 | -36.4 | 169.4 | -64.6 | -158.9 | 38.7 | 0 | 0 | 110.9 | I37 F38 T44 L45 | I37-Q41 HydrophobicContact CG2-CB 4.36Å; F38-Q41 WeakPolarHBondContact O-CB 3.23Å; F38-Q41 PolarHBondContact O-N 3.12Å; Q41-T44 PolarHBondContact O-N 3.06Å; Q41-L45 WeakPolarHBondContact O-CG 3.49Å; Q41-L45 PolarHBondContact O-N 2.85Å |
| 42 | L | 75.7 | Confident | 65.9 | Low | 99 Ų | 99 | 111.9 Ų | 111.9 | 52% | 0.518 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -64 | -41.9 | 176 | -170.6 | 65.2 | 0 | 0 | 0 | 112 | I37 F38 P39 D40 T44 L45 Q46 | I37-L42 HydrophobicContact CG2-CB 4.37Å; F38-L42 PolarHBondContact O-N 3.46Å; P39-L42 PolarHBondContact O-N 3.08Å; D40-L42 VanDerWaalsContact C-N 3.34Å; L42-T44 VanDerWaalsContact C-N 3.33Å; L42-T44 PolarHBondContact O-N 3.02Å; L42-L45 PolarHBondContact O-N 3.3Å; L42-Q46 WeakPolarHBondContact O-CB 3.32Å; L42-Q46 PolarHBondContact O-N 3.28Å |
| 43 | K | 72.6 | Confident | 66.9 | Low | 123 Ų | 123 | 108.9 Ų | 108.9 | 54% | 0.535 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -63.9 | -37.7 | 174.7 | -67.6 | 168.5 | -165.1 | 158.7 | 0 | 112.2 | P39 D40 Q46 R47 | P39-K43 WeakPolarHBondContact O-CG 3.11Å; P39-K43 PolarHBondContact O-N 3.38Å; D40-K43 IonicContact OD1-NZ 3.92Å; D40-K43 PolarHBondContact OD1-NZ 2.7Å; K43-Q46 PolarHBondContact O-N 2.9Å; K43-R47 VanDerWaalsContact O-CB 3.31Å; K43-R47 WeakPolarHBondContact O-CB 3.24Å; K43-R47 PolarHBondContact O-N 3.44Å |
| 44 | T | 74.7 | Confident | 67.6 | Low | 102 Ų | 102 | 107.9 Ų | 107.9 | 63% | 0.626 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66.2 | -44.3 | 177.2 | -58.2 | 0 | 0 | 0 | 0 | 111.2 | D40 Q41 L42 R47 G48 | D40-T44 PolarHBondContact O-N 3.25Å; D40-T44 VanDerWaalsContact O-N 3.14Å; D40-T44 PolarHBondContact O-OG1 2.95Å; Q41-T44 PolarHBondContact O-N 3.06Å; L42-T44 VanDerWaalsContact C-N 3.33Å; L42-T44 PolarHBondContact O-N 3.02Å; T44-R47 PolarHBondContact O-N 3.36Å; T44-G48 PolarHBondContact O-N 3.43Å |
| 45 | L | 74.8 | Confident | 68.2 | Low | 116 Ų | 116 | 107.4 Ų | 107.4 | 61% | 0.607 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.5 | -45.1 | 173.8 | -76.8 | 168.5 | 0 | 0 | 0 | 111.9 | Q41 L42 R47 G48 Y49 | Q41-L45 WeakPolarHBondContact O-CG 3.49Å; Q41-L45 PolarHBondContact O-N 2.85Å; L42-L45 PolarHBondContact O-N 3.3Å; L45-R47 VanDerWaalsContact C-N 3.34Å; L45-R47 PolarHBondContact O-N 3.14Å; L45-G48 PolarHBondContact O-N 2.95Å; L45-Y49 PolarHBondContact O-N 3.4Å |
| 46 | Q | 74.8 | Confident | 68.6 | Low | 119 Ų | 119 | 105.7 Ų | 105.7 | 56% | 0.556 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.3 | -41.6 | 177.6 | -172.9 | 174.3 | -7 | 0 | 0 | 111.6 | L42 K43 Y49 K50 | L42-Q46 WeakPolarHBondContact O-CB 3.32Å; L42-Q46 PolarHBondContact O-N 3.28Å; K43-Q46 PolarHBondContact O-N 2.9Å; Q46-Y49 PolarHBondContact O-N 3.37Å; Q46-K50 WeakPolarHBondContact O-CG 3.31Å; Q46-K50 PolarHBondContact O-N 2.98Å |
| 47 | R | 70.9 | Confident | 68.8 | Low | 205 Ų | 205 | 104.3 Ų | 104.3 | 77% | 0.774 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.3 | -41.4 | 175.2 | -173.6 | 175.7 | -177.5 | -107.4 | -0.7 | 112 | K43 T44 L45 Y49 K50 H51 | K43-R47 VanDerWaalsContact O-CB 3.31Å; K43-R47 WeakPolarHBondContact O-CB 3.24Å; K43-R47 PolarHBondContact O-N 3.44Å; T44-R47 PolarHBondContact O-N 3.36Å; L45-R47 VanDerWaalsContact C-N 3.34Å; L45-R47 PolarHBondContact O-N 3.14Å; R47-Y49 VanDerWaalsContact C-N 3.32Å; R47-Y49 PolarHBondContact O-N 3.3Å; R47-K50 PolarHBondContact O-N 3.39Å; R47-H51 PolarHBondContact O-N 3.26Å |
| 48 | G | 68.1 | Low | 69.1 | Low | 33 Ų | 33 | 108.6 Ų | 108.6 | 34% | 0.34 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59.8 | -41.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | T44 L45 K50 H51 V52 | T44-G48 PolarHBondContact O-N 3.43Å; L45-G48 PolarHBondContact O-N 2.95Å; G48-K50 PolarHBondContact O-N 3.47Å; G48-H51 PolarHBondContact O-N 2.91Å; G48-V52 VanDerWaalsContact O-CG2 3.28Å; G48-V52 WeakPolarHBondContact O-CG2 3.44Å; G48-V52 PolarHBondContact O-N 3.38Å |
| 49 | Y | 66.6 | Low | 69 | Low | 161 Ų | 161 | 108.6 Ų | 108.6 | 63% | 0.631 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.3 | -39.9 | 176.4 | -172.7 | -92.8 | 0 | 0 | 0 | 112.8 | L45 Q46 R47 N53 | L45-Y49 PolarHBondContact O-N 3.4Å; Q46-Y49 PolarHBondContact O-N 3.37Å; R47-Y49 VanDerWaalsContact C-N 3.32Å; R47-Y49 PolarHBondContact O-N 3.3Å; Y49-N53 VanDerWaalsContact O-CB 3.29Å; Y49-N53 WeakPolarHBondContact O-CB 3.27Å; Y49-N53 PolarHBondContact O-N 3.05Å; Y49-N53 VanDerWaalsContact O-N 3.1Å |
| 50 | K | 68.1 | Low | 69 | Low | 114 Ų | 114 | 109.8 Ų | 109.8 | 50% | 0.496 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -68.2 | -44.1 | 177.4 | -59.8 | -53.8 | 172.2 | -175.4 | 0 | 112.4 | Q46 R47 G48 N53 D54 | Q46-K50 WeakPolarHBondContact O-CG 3.31Å; Q46-K50 PolarHBondContact O-N 2.98Å; R47-K50 PolarHBondContact O-N 3.39Å; G48-K50 PolarHBondContact O-N 3.47Å; K50-N53 PolarHBondContact O-N 3.04Å; K50-D54 PolarHBondContact O-N 2.99Å |
| 51 | H | 62.7 | Low | 68.7 | Low | 119 Ų | 119 | 114.5 Ų | 114.5 | 55% | 0.551 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -60.1 | -51.3 | 176.5 | -177.5 | -110 | 0 | 0 | 0 | 111.4 | R47 G48 N53 D54 E55 | R47-H51 PolarHBondContact O-N 3.26Å; G48-H51 PolarHBondContact O-N 2.91Å; H51-N53 PolarHBondContact O-N 3.49Å; H51-D54 PolarHBondContact O-N 3.45Å; H51-D54 VanDerWaalsContact O-N 3.13Å; H51-E55 IonicContact CD2-OE1 3.28Å; H51-E55 PolarHBondContact CD2-OE1 3.35Å; H51-E55 IonicContact CE1-OE1 2.87Å; H51-E55 IonicContact CG-OE1 3.93Å; H51-E55 IonicContact NE2-OE1 2.81Å; H51-E55 PolarHBondContact NE2-OE1 2.81Å; H51-E55 WeakPolarHBondContact O-CG 3.45Å; H51-E55 PolarHBondContact O-N 3Å |
| 52 | V | 63.9 | Low | 68.4 | Low | 97 Ų | 97 | 111 Ų | 111 | 59% | 0.588 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -60.1 | -36.1 | 178.8 | 174.5 | 0 | 0 | 0 | 0 | 112 | G48 A56 | G48-V52 VanDerWaalsContact O-CG2 3.28Å; G48-V52 WeakPolarHBondContact O-CG2 3.44Å; G48-V52 PolarHBondContact O-N 3.38Å; V52-A56 WeakPolarHBondContact O-CB 3.27Å; V52-A56 PolarHBondContact O-N 3.42Å |
| 53 | N | 66.5 | Low | 67.6 | Low | 68 Ų | 68 | 109 Ų | 109 | 36% | 0.364 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -68.4 | -42.6 | 176.3 | -175.2 | 72.8 | 0 | 0 | 0 | 112.3 | Y49 K50 H51 A56 L57 | Y49-N53 VanDerWaalsContact O-CB 3.29Å; Y49-N53 WeakPolarHBondContact O-CB 3.27Å; Y49-N53 PolarHBondContact O-N 3.05Å; Y49-N53 VanDerWaalsContact O-N 3.1Å; K50-N53 PolarHBondContact O-N 3.04Å; H51-N53 PolarHBondContact O-N 3.49Å; N53-A56 PolarHBondContact O-N 3.46Å; N53-L57 WeakPolarHBondContact O-CB 3.31Å; N53-L57 WeakPolarHBondContact O-CG 3.37Å; N53-L57 PolarHBondContact O-N 3.25Å |
| 54 | D | 66.9 | Low | 66.9 | Low | 86 Ų | 86 | 107.4 Ų | 107.4 | 46% | 0.46 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67.4 | -39.9 | 178.3 | -67.3 | -22.7 | 0 | 0 | 0 | 111.4 | K50 H51 L57 R58 | K50-D54 PolarHBondContact O-N 2.99Å; H51-D54 PolarHBondContact O-N 3.45Å; H51-D54 VanDerWaalsContact O-N 3.13Å; D54-L57 PolarHBondContact O-N 3.2Å; D54-R58 WeakPolarHBondContact O-CB 3.17Å; D54-R58 VanDerWaalsContact O-CG 3.24Å; D54-R58 WeakPolarHBondContact O-CG 3.37Å; D54-R58 PolarHBondContact O-N 3.22Å |
| 55 | E | 66.8 | Low | 65.9 | Low | 72 Ų | 72 | 108.3 Ų | 108.3 | 34% | 0.336 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.1 | -42 | 173 | -52.9 | -28.8 | 127.8 | 0 | 0 | 111.5 | H51 L57 R58 L59 | H51-E55 IonicContact CD2-OE1 3.28Å; H51-E55 PolarHBondContact CD2-OE1 3.35Å; H51-E55 IonicContact CE1-OE1 2.87Å; H51-E55 IonicContact CG-OE1 3.93Å; H51-E55 IonicContact NE2-OE1 2.81Å; H51-E55 PolarHBondContact NE2-OE1 2.81Å; H51-E55 WeakPolarHBondContact O-CG 3.45Å; H51-E55 PolarHBondContact O-N 3Å; E55-L57 VanDerWaalsContact C-N 3.34Å; E55-L57 PolarHBondContact O-N 3.37Å; E55-R58 PolarHBondContact O-N 3.17Å; E55-L59 WeakPolarHBondContact O-CB 3.3Å; E55-L59 VanDerWaalsContact O-CG 3.23Å; E55-L59 WeakPolarHBondContact O-CG 3.49Å; E55-L59 PolarHBondContact O-N 2.86Å |
| 56 | A | 67.5 | Low | 65.1 | Low | 50 Ų | 50 | 108.3 Ų | 108.3 | 41% | 0.413 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.5 | -39 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | V52 N53 L59 Q60 | V52-A56 WeakPolarHBondContact O-CB 3.27Å; V52-A56 PolarHBondContact O-N 3.42Å; N53-A56 PolarHBondContact O-N 3.46Å; A56-L59 PolarHBondContact O-N 3.16Å; A56-Q60 WeakPolarHBondContact O-CB 3.42Å; A56-Q60 PolarHBondContact O-N 2.94Å |
| 57 | L | 64.9 | Low | 63.9 | Low | 100 Ų | 100 | 105.6 Ų | 105.6 | 52% | 0.524 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68.3 | -36 | 174.9 | -70.4 | 173.8 | 0 | 0 | 0 | 112.1 | N53 D54 E55 R61 | N53-L57 WeakPolarHBondContact O-CB 3.31Å; N53-L57 WeakPolarHBondContact O-CG 3.37Å; N53-L57 PolarHBondContact O-N 3.25Å; D54-L57 PolarHBondContact O-N 3.2Å; E55-L57 VanDerWaalsContact C-N 3.34Å; E55-L57 PolarHBondContact O-N 3.37Å; L57-R61 VanDerWaalsContact O-CB 3.31Å; L57-R61 WeakPolarHBondContact O-CB 3.4Å; L57-R61 PolarHBondContact O-N 3.45Å |
| 58 | R | 66.4 | Low | 63.3 | Low | 184 Ų | 184 | 102 Ų | 102 | 69% | 0.694 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -70.5 | -40.9 | 175 | -71.4 | 179.8 | 76.6 | 145.2 | 6.3 | 112.1 | D54 E55 R61 G62 | D54-R58 WeakPolarHBondContact O-CB 3.17Å; D54-R58 VanDerWaalsContact O-CG 3.24Å; D54-R58 WeakPolarHBondContact O-CG 3.37Å; D54-R58 PolarHBondContact O-N 3.22Å; E55-R58 PolarHBondContact O-N 3.17Å; R58-R61 PolarHBondContact O-N 3.19Å; R58-G62 PolarHBondContact O-N 3.25Å |
| 59 | L | 68.9 | Low | 62.6 | Low | 130 Ų | 130 | 106.2 Ų | 106.2 | 68% | 0.681 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -66.1 | -40.4 | 173.5 | -71.2 | 171 | 0 | 0 | 0 | 111.2 | E55 A56 G62 S63 | E55-L59 WeakPolarHBondContact O-CB 3.3Å; E55-L59 VanDerWaalsContact O-CG 3.23Å; E55-L59 WeakPolarHBondContact O-CG 3.49Å; E55-L59 PolarHBondContact O-N 2.86Å; A56-L59 PolarHBondContact O-N 3.16Å; L59-G62 PolarHBondContact O-N 3.4Å; L59-S63 WeakPolarHBondContact O-CB 3.33Å; L59-S63 PolarHBondContact O-N 3.11Å |
| 60 | Q | 66.8 | Low | 62 | Low | 110 Ų | 110 | 102.6 Ų | 102.6 | 51% | 0.514 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.8 | -44.2 | 173 | -175.9 | 69.3 | 62.4 | 0 | 0 | 111 | A56 S63 N64 | A56-Q60 WeakPolarHBondContact O-CB 3.42Å; A56-Q60 PolarHBondContact O-N 2.94Å; Q60-S63 PolarHBondContact O-N 2.9Å; Q60-N64 PolarHBondContact NE2-OD1 3.31Å; Q60-N64 WeakPolarHBondContact O-CB 3.35Å; Q60-N64 PolarHBondContact O-N 3.5Å; Q60-N64 PolarHBondContact O-ND2 2.86Å; Q60-N64 PolarHBondContact O-OD1 2.87Å |
| 61 | R | 64.8 | Low | 61.2 | Low | 200 Ų | 200 | 102.1 Ų | 102.1 | 76% | 0.755 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -67.3 | -40.5 | 177.6 | -171.4 | -178.1 | -68.6 | -174.5 | -1.4 | 112.3 | L57 R58 N64 H65 | L57-R61 VanDerWaalsContact O-CB 3.31Å; L57-R61 WeakPolarHBondContact O-CB 3.4Å; L57-R61 PolarHBondContact O-N 3.45Å; R58-R61 PolarHBondContact O-N 3.19Å; R61-N64 PolarHBondContact O-N 3.34Å; R61-H65 PolarHBondContact O-N 3.28Å; R61-H65 VanDerWaalsContact O-N 3.11Å |
| 62 | G | 63.5 | Low | 60.8 | Low | 42 Ų | 42 | 104 Ų | 104 | 43% | 0.433 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.5 | -37 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | R58 L59 H65 L66 | R58-G62 PolarHBondContact O-N 3.25Å; L59-G62 PolarHBondContact O-N 3.4Å; G62-H65 PolarHBondContact O-N 2.95Å; G62-L66 WeakPolarHBondContact O-CB 3.34Å; G62-L66 PolarHBondContact O-N 2.93Å |
| 63 | S | 59.8 | Low | 60.1 | Low | 59 Ų | 59 | 105.6 Ų | 105.6 | 41% | 0.413 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63 | -49.4 | 173.1 | -173.8 | 0 | 0 | 0 | 0 | 110.7 | L59 Q60 H65 L66 T67 | L59-S63 WeakPolarHBondContact O-CB 3.33Å; L59-S63 PolarHBondContact O-N 3.11Å; Q60-S63 PolarHBondContact O-N 2.9Å; S63-H65 PolarHBondContact O-N 3.21Å; S63-L66 PolarHBondContact O-N 2.98Å; S63-L66 VanDerWaalsContact O-N 3.16Å; S63-T67 WeakPolarHBondContact O-CG2 3.45Å; S63-T67 PolarHBondContact O-N 3.5Å; S63-T67 PolarHBondContact O-OG1 2.94Å |
| 64 | N | 56.4 | Low | 59.4 | Low | 88 Ų | 88 | 106.9 Ų | 106.9 | 47% | 0.471 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.8 | -25.7 | 179 | -61.9 | -12.7 | 0 | 0 | 0 | 113.5 | Q60 R61 T67 | Q60-N64 PolarHBondContact NE2-OD1 3.31Å; Q60-N64 WeakPolarHBondContact O-CB 3.35Å; Q60-N64 PolarHBondContact O-N 3.5Å; Q60-N64 PolarHBondContact O-ND2 2.86Å; Q60-N64 PolarHBondContact O-OD1 2.87Å; R61-N64 PolarHBondContact O-N 3.34Å; N64-T67 VanDerWaalsContact C-OG1 3.31Å; N64-T67 WeakPolarHBondContact CA-OG1 3.4Å; N64-T67 PolarHBondContact O-OG1 3Å |
| 65 | H | 55.5 | Low | 58.8 | Low | 122 Ų | 122 | 108.1 Ų | 108.1 | 57% | 0.565 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -83.1 | -34.2 | 174.9 | -164.1 | -74.2 | 0 | 0 | 0 | 111.9 | R61 G62 S63 | R61-H65 PolarHBondContact O-N 3.28Å; R61-H65 VanDerWaalsContact O-N 3.11Å; G62-H65 PolarHBondContact O-N 2.95Å; S63-H65 PolarHBondContact O-N 3.21Å |
| 66 | L | 56.2 | Low | 58.3 | Low | 115 Ų | 115 | 111.4 Ų | 111.4 | 60% | 0.602 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -72.9 | -31.4 | 174.9 | -171.6 | 64.7 | 0 | 0 | 0 | 111.8 | G62 S63 M68 L70 | G62-L66 WeakPolarHBondContact O-CB 3.34Å; G62-L66 PolarHBondContact O-N 2.93Å; S63-L66 PolarHBondContact O-N 2.98Å; S63-L66 VanDerWaalsContact O-N 3.16Å; L66-M68 VanDerWaalsContact C-N 3.35Å; L66-L70 VanDerWaalsContact O-CB 3.31Å; L66-L70 WeakPolarHBondContact O-CB 3.16Å; L66-L70 PolarHBondContact O-N 3.43Å; L66-L70 VanDerWaalsContact O-N 3.17Å |
| 67 | T | 51.2 | Low | 57.8 | Low | 63 Ų | 63 | 116.2 Ų | 116.2 | 39% | 0.387 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -63.3 | -40.9 | 175.5 | 55 | 0 | 0 | 0 | 0 | 111.5 | S63 N64 D69 L70 D71 | S63-T67 WeakPolarHBondContact O-CG2 3.45Å; S63-T67 PolarHBondContact O-N 3.5Å; S63-T67 PolarHBondContact O-OG1 2.94Å; N64-T67 VanDerWaalsContact C-OG1 3.31Å; N64-T67 WeakPolarHBondContact CA-OG1 3.4Å; N64-T67 PolarHBondContact O-OG1 3Å; T67-D69 PolarHBondContact O-N 3.25Å; T67-L70 PolarHBondContact O-N 2.79Å; T67-D71 PolarHBondContact O-N 2.82Å; T67-D71 VanDerWaalsContact O-N 3.08Å; T67-D71 VanDerWaalsContact O-OD2 3.08Å |
| 68 | M | 58.2 | Low | 57.5 | Low | 129 Ų | 129 | 117.2 Ų | 117.2 | 64% | 0.635 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -68.3 | -34.6 | -176.6 | -163.9 | 168 | 69.4 | 0 | 0 | 113.5 | L66 | L66-M68 VanDerWaalsContact C-N 3.35Å |
| 69 | D | 52.3 | Low | 57.2 | Low | 122 Ų | 122 | 111.7 Ų | 111.7 | 65% | 0.652 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -79.4 | -23.2 | 174.1 | -95.9 | -25.5 | 0 | 0 | 0 | 112.7 | T67 | T67-D69 PolarHBondContact O-N 3.25Å |
| 70 | L | 53.9 | Low | 57 | Low | 85 Ų | 85 | 108 Ų | 108 | 45% | 0.445 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -82.1 | -29.6 | -179.3 | -148.8 | 73.2 | 0 | 0 | 0 | 112.4 | L66 T67 N72 N73 I74 | L66-L70 VanDerWaalsContact O-CB 3.31Å; L66-L70 WeakPolarHBondContact O-CB 3.16Å; L66-L70 PolarHBondContact O-N 3.43Å; L66-L70 VanDerWaalsContact O-N 3.17Å; T67-L70 PolarHBondContact O-N 2.79Å; L70-N72 PolarHBondContact O-N 3.41Å; L70-N72 VanDerWaalsContact O-N 3.12Å; L70-N73 PolarHBondContact O-N 3.35Å; L70-N73 VanDerWaalsContact O-N 3.09Å; L70-I74 HydrophobicContact CB-CD1 4.25Å; L70-I74 HydrophobicContact CD1-CG2 4.38Å; L70-I74 HydrophobicContact CD2-CD1 3.91Å; L70-I74 HydrophobicContact CD2-CG2 4.23Å; L70-I74 HydrophobicContact CG-CD1 3.91Å; L70-I74 HydrophobicContact CG-CG2 3.79Å; L70-I74 VanDerWaalsContact O-CG1 3.23Å; L70-I74 WeakPolarHBondContact O-CG1 3.31Å; L70-I74 PolarHBondContact O-N 2.91Å; L70-I74 VanDerWaalsContact O-N 3.16Å |
| 71 | D | 51.9 | Low | 56.8 | Low | 104 Ų | 104 | 108.3 Ų | 108.3 | 56% | 0.556 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.6 | -23.2 | 178 | -66.3 | -29.8 | 0 | 0 | 0 | 113.1 | T67 | T67-D71 PolarHBondContact O-N 2.82Å; T67-D71 VanDerWaalsContact O-N 3.08Å; T67-D71 VanDerWaalsContact O-OD2 3.08Å |
| 72 | N | 53.3 | Low | 56.5 | Low | 158 Ų | 158 | 106 Ų | 106 | 85% | 0.845 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | -11.9 | -179.6 | -141.5 | 52.1 | 0 | 0 | 0 | 113.9 | L70 | L70-N72 PolarHBondContact O-N 3.41Å; L70-N72 VanDerWaalsContact O-N 3.12Å |
| 73 | N | 49.8 | Very low | 56.9 | Low | 131 Ų | 131 | 106.2 Ų | 106.2 | 70% | 0.701 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.6 | -17 | -174.5 | -160.3 | -16.9 | 0 | 0 | 0 | 114.5 | L70 | L70-N73 PolarHBondContact O-N 3.35Å; L70-N73 VanDerWaalsContact O-N 3.09Å |
| 74 | I | 52.6 | Low | 57.9 | Low | 95 Ų | 95 | 108.5 Ų | 108.5 | 49% | 0.487 | 57% | 0.574 | S | S | . | * | S | Bend | trans | -94.5 | -0.7 | -178.5 | 64.8 | -167.9 | 0 | 0 | 0 | 114.9 | L70 I76 | L70-I74 HydrophobicContact CB-CD1 4.25Å; L70-I74 HydrophobicContact CD1-CG2 4.38Å; L70-I74 HydrophobicContact CD2-CD1 3.91Å; L70-I74 HydrophobicContact CD2-CG2 4.23Å; L70-I74 HydrophobicContact CG-CD1 3.91Å; L70-I74 HydrophobicContact CG-CG2 3.79Å; L70-I74 VanDerWaalsContact O-CG1 3.23Å; L70-I74 WeakPolarHBondContact O-CG1 3.31Å; L70-I74 PolarHBondContact O-N 2.91Å; L70-I74 VanDerWaalsContact O-N 3.16Å; I74-I76 VanDerWaalsContact C-N 3.33Å; I74-I76 PolarHBondContact O-N 2.81Å |
| 75 | N | 52.9 | Low | 59.3 | Low | 112 Ų | 112 | 107.8 Ų | 107.8 | 60% | 0.599 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | 62.1 | -175.9 | -164.4 | -15 | 0 | 0 | 0 | 112.7 | ||
| 76 | I | 58.1 | Low | 60.7 | Low | 141 Ų | 141 | 107.1 Ų | 107.1 | 72% | 0.723 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.4 | -17 | 170.3 | -20.2 | 178.5 | 0 | 0 | 0 | 113.8 | I74 | I74-I76 VanDerWaalsContact C-N 3.33Å; I74-I76 PolarHBondContact O-N 2.81Å |
| 77 | N | 56.5 | Low | 62.1 | Low | 151 Ų | 151 | 106.4 Ų | 106.4 | 81% | 0.807 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -146.9 | -4.2 | -178.5 | -88.4 | -77.1 | 0 | 0 | 0 | 117.1 | ||
| 78 | L | 57.9 | Low | 64 | Low | 120 Ų | 120 | 109 Ų | 109 | 63% | 0.628 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -111.4 | 134 | 170.8 | -96.3 | 73 | 0 | 0 | 0 | 109.5 | ||
| 79 | P | 59.7 | Low | 65.7 | Low | 68 Ų | 68 | 108.2 Ų | 108.2 | 44% | 0.442 | 57% | 0.573 | S | S | . | * | trans | -56.8 | 135.1 | 170.4 | -16.9 | 27.7 | 0 | 0 | 0 | 108.9 | T83 | P79-T83 HydrophobicContact CB-CG2 3.53Š| ||
| 80 | P | 65.9 | Low | 67.4 | Low | 54 Ų | 54 | 110.8 Ų | 110.8 | 35% | 0.351 | 57% | 0.574 | S | S | . | * | trans | -45 | 148.3 | 175.9 | -29.7 | 33.7 | 0 | 0 | 0 | 111.2 | E82 T83 | P80-E82 HydrophobicContact CB-CB 4.47Å; P80-E82 PolarHBondContact O-N 2.81Å; P80-T83 WeakPolarHBondContact CD-OG1 3.19Å; P80-T83 WeakPolarHBondContact O-CA 3.2Å; P80-T83 WeakPolarHBondContact O-CB 3.44Å; P80-T83 PolarHBondContact O-N 2.97Å; P80-T83 PolarHBondContact O-OG1 3.13Å | ||
| 81 | V | 61.6 | Low | 69.1 | Low | 116 Ų | 116 | 109.5 Ų | 109.5 | 70% | 0.703 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -53.1 | -34.8 | -179.8 | 173 | 0 | 0 | 0 | 0 | 111.6 | T83 K84 V85 | V81-T83 PolarHBondContact O-N 3.46Å; V81-K84 PolarHBondContact O-N 2.96Å; V81-V85 PolarHBondContact O-N 3.5Å |
| 82 | E | 59.3 | Low | 71.1 | Confident | 150 Ų | 150 | 111.7 Ų | 111.7 | 70% | 0.701 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -52.8 | -37.3 | 170.8 | -63.2 | 159 | 174.7 | 0 | 0 | 112.6 | P80 V85 L86 | P80-E82 HydrophobicContact CB-CB 4.47Å; P80-E82 PolarHBondContact O-N 2.81Å; E82-V85 PolarHBondContact O-N 3.24Å; E82-L86 WeakPolarHBondContact O-CG 3.15Å; E82-L86 PolarHBondContact O-N 3.13Å; E82-L86 VanDerWaalsContact O-N 3.14Å |
| 83 | T | 72.6 | Confident | 72.9 | Confident | 47 Ų | 47 | 111.2 Ų | 111.2 | 29% | 0.288 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -68 | -35.8 | 176.6 | -53.9 | 0 | 0 | 0 | 0 | 112.3 | P79 P80 V81 L86 I87 | P79-T83 HydrophobicContact CB-CG2 3.53Å; P80-T83 WeakPolarHBondContact CD-OG1 3.19Å; P80-T83 WeakPolarHBondContact O-CA 3.2Å; P80-T83 WeakPolarHBondContact O-CB 3.44Å; P80-T83 PolarHBondContact O-N 2.97Å; P80-T83 PolarHBondContact O-OG1 3.13Å; V81-T83 PolarHBondContact O-N 3.46Å; T83-L86 PolarHBondContact O-N 2.93Å; T83-I87 HydrophobicContact CG2-CD1 4.01Å; T83-I87 HydrophobicContact CG2-CG1 4.45Å; T83-I87 VanDerWaalsContact O-CG1 3.24Å; T83-I87 WeakPolarHBondContact O-CG1 3.24Å; T83-I87 PolarHBondContact O-N 3.39Å |
| 84 | K | 79.9 | Confident | 74.7 | Confident | 108 Ų | 108 | 108.1 Ų | 108.1 | 47% | 0.47 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67.4 | -39.2 | 177 | -63.6 | -173.6 | -178.8 | -175.7 | 0 | 111.5 | V81 L86 I87 I88 | V81-K84 PolarHBondContact O-N 2.96Å; K84-L86 VanDerWaalsContact C-N 3.35Å; K84-I87 PolarHBondContact O-N 3Å; K84-I88 WeakPolarHBondContact O-CG1 3.49Å; K84-I88 PolarHBondContact O-N 2.89Å |
| 85 | V | 85.6 | Confident | 76.6 | Confident | 72 Ų | 72 | 108 Ų | 108 | 44% | 0.436 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.2 | -45.5 | 174.3 | 177.4 | 0 | 0 | 0 | 0 | 110.5 | V81 E82 I87 I88 Q89 | V81-V85 PolarHBondContact O-N 3.5Å; E82-V85 PolarHBondContact O-N 3.24Å; V85-I87 VanDerWaalsContact C-N 3.35Å; V85-I87 PolarHBondContact O-N 3.34Å; V85-I88 PolarHBondContact O-N 2.9Å; V85-Q89 HydrophobicContact CG1-CG 4.31Å; V85-Q89 WeakPolarHBondContact O-CB 3.23Å; V85-Q89 VanDerWaalsContact O-CG 3.31Å; V85-Q89 WeakPolarHBondContact O-CG 3.37Å; V85-Q89 PolarHBondContact O-N 3.32Å |
| 86 | L | 84.4 | Confident | 78.2 | Confident | 109 Ų | 109 | 106.5 Ų | 106.5 | 57% | 0.571 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.5 | -38.8 | 176.5 | -68.3 | 173.6 | 0 | 0 | 0 | 112.8 | E82 T83 K84 R90 | E82-L86 WeakPolarHBondContact O-CG 3.15Å; E82-L86 PolarHBondContact O-N 3.13Å; E82-L86 VanDerWaalsContact O-N 3.14Å; T83-L86 PolarHBondContact O-N 2.93Å; K84-L86 VanDerWaalsContact C-N 3.35Å; L86-R90 VanDerWaalsContact O-CB 3.27Å; L86-R90 WeakPolarHBondContact O-CB 3.28Å; L86-R90 PolarHBondContact O-N 3.29Å |
| 87 | I | 87.3 | Confident | 79.3 | Confident | 99 Ų | 99 | 105.7 Ų | 105.7 | 51% | 0.508 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.5 | -46.6 | 175.2 | -70.1 | 164.3 | 0 | 0 | 0 | 110.6 | T83 K84 V85 R90 A91 | T83-I87 HydrophobicContact CG2-CD1 4.01Å; T83-I87 HydrophobicContact CG2-CG1 4.45Å; T83-I87 VanDerWaalsContact O-CG1 3.24Å; T83-I87 WeakPolarHBondContact O-CG1 3.24Å; T83-I87 PolarHBondContact O-N 3.39Å; K84-I87 PolarHBondContact O-N 3Å; V85-I87 VanDerWaalsContact C-N 3.35Å; V85-I87 PolarHBondContact O-N 3.34Å; I87-R90 PolarHBondContact O-N 3.45Å; I87-A91 WeakPolarHBondContact O-CB 3.29Å; I87-A91 PolarHBondContact O-N 3.17Å |
| 88 | I | 90.2 | Very high | 80.4 | Confident | 118 Ų | 118 | 106 Ų | 106 | 61% | 0.605 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.6 | -45.6 | 179.5 | -66.8 | 166.7 | 0 | 0 | 0 | 110.9 | K84 V85 R90 A91 W92 | K84-I88 WeakPolarHBondContact O-CG1 3.49Å; K84-I88 PolarHBondContact O-N 2.89Å; V85-I88 PolarHBondContact O-N 2.9Å; I88-R90 VanDerWaalsContact C-N 3.31Å; I88-R90 PolarHBondContact O-N 3.06Å; I88-A91 PolarHBondContact O-N 3.47Å; I88-W92 WeakPolarHBondContact O-CB 3.19Å; I88-W92 PolarHBondContact O-N 3.24Å |
| 89 | Q | 93.8 | Very high | 81 | Confident | 112 Ų | 112 | 104.1 Ų | 104.1 | 52% | 0.523 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.5 | -40.1 | 176.7 | -73.6 | 176.1 | -10.5 | 0 | 0 | 112 | V85 R93 | V85-Q89 HydrophobicContact CG1-CG 4.31Å; V85-Q89 WeakPolarHBondContact O-CB 3.23Å; V85-Q89 VanDerWaalsContact O-CG 3.31Å; V85-Q89 WeakPolarHBondContact O-CG 3.37Å; V85-Q89 PolarHBondContact O-N 3.32Å; Q89-R93 WeakPolarHBondContact O-CB 3.41Å; Q89-R93 PolarHBondContact O-N 3.1Å |
| 90 | R | 87.5 | Confident | 81 | Confident | 176 Ų | 176 | 106.7 Ų | 106.7 | 66% | 0.664 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65 | -46.3 | 174.8 | 179.3 | 177.3 | -177.3 | -178.5 | 1.2 | 111.8 | L86 I87 I88 W92 R93 D94 | L86-R90 VanDerWaalsContact O-CB 3.27Å; L86-R90 WeakPolarHBondContact O-CB 3.28Å; L86-R90 PolarHBondContact O-N 3.29Å; I87-R90 PolarHBondContact O-N 3.45Å; I88-R90 VanDerWaalsContact C-N 3.31Å; I88-R90 PolarHBondContact O-N 3.06Å; R90-W92 VanDerWaalsContact C-N 3.32Å; R90-W92 PolarHBondContact O-N 3.48Å; R90-R93 PolarHBondContact O-N 3.28Å; R90-D94 PolarHBondContact O-N 3.26Å |
| 91 | A | 90.5 | Very high | 80.6 | Confident | 58 Ų | 58 | 109.2 Ų | 109.2 | 48% | 0.479 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.1 | -39.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | I87 I88 D94 F95 | I87-A91 WeakPolarHBondContact O-CB 3.29Å; I87-A91 PolarHBondContact O-N 3.17Å; I88-A91 PolarHBondContact O-N 3.47Å; A91-D94 PolarHBondContact O-N 3.45Å; A91-F95 WeakPolarHBondContact O-CB 3.31Å; A91-F95 PolarHBondContact O-N 3.37Å |
| 92 | W | 94.3 | Very high | 80.3 | Confident | 151 Ų | 151 | 111.1 Ų | 111.1 | 57% | 0.572 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.8 | -43.8 | 175.6 | -174.7 | -116.9 | 0 | 0 | 0 | 112.4 | I88 R90 D94 F95 L96 | I88-W92 WeakPolarHBondContact O-CB 3.19Å; I88-W92 PolarHBondContact O-N 3.24Å; R90-W92 VanDerWaalsContact C-N 3.32Å; R90-W92 PolarHBondContact O-N 3.48Å; W92-D94 VanDerWaalsContact C-N 3.35Å; W92-D94 PolarHBondContact O-N 2.89Å; W92-F95 AromaticContact CE3-CD1 3.74Å; W92-F95 HydrophobicContact CE3-CD1 3.74Å; W92-F95 HydrophobicContact CE3-CE1 4.39Å; W92-F95 HydrophobicContact CE3-CG 4.42Å; W92-F95 AromaticContact CH2-CD1 3.98Å; W92-F95 HydrophobicContact CH2-CD1 3.98Å; W92-F95 AromaticContact CH2-CE1 3.92Å; W92-F95 HydrophobicContact CH2-CE1 3.92Å; W92-F95 AromaticContact CZ3-CD1 3.4Å; W92-F95 HydrophobicContact CZ3-CD1 3.4Å; W92-F95 VanDerWaalsContact CZ3-CD1 3.4Å; W92-F95 AromaticContact CZ3-CE1 3.6Å; W92-F95 HydrophobicContact CZ3-CE1 3.6Å; W92-F95 HydrophobicContact CZ3-CG 4.36Å; W92-F95 PolarHBondContact O-N 3.39Å; W92-L96 HydrophobicContact CD2-CG 4.43Å; W92-L96 HydrophobicContact CH2-CD2 4.44Å; W92-L96 HydrophobicContact CZ2-CD1 4.44Å; W92-L96 HydrophobicContact CZ2-CD2 3.94Å; W92-L96 HydrophobicContact CZ2-CG 4.26Å; W92-L96 WeakPolarHBondContact O-CG 3.34Å; W92-L96 PolarHBondContact O-N 2.92Å |
| 93 | R | 90.3 | Very high | 80.1 | Confident | 148 Ų | 148 | 112.5 Ų | 112.5 | 56% | 0.558 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60.3 | -43.9 | 174.5 | -176.6 | 175 | 61.4 | -104.5 | 3.3 | 111.9 | Q89 R90 L96 Q97 | Q89-R93 WeakPolarHBondContact O-CB 3.41Å; Q89-R93 PolarHBondContact O-N 3.1Å; R90-R93 PolarHBondContact O-N 3.28Å; R93-L96 PolarHBondContact O-N 2.9Å; R93-Q97 WeakPolarHBondContact O-CB 3.37Å; R93-Q97 PolarHBondContact O-N 3.14Å |
| 94 | D | 88.1 | Confident | 79.2 | Confident | 65 Ų | 65 | 118.2 Ų | 118.2 | 35% | 0.348 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.6 | -40.1 | 177.7 | -164 | 60.4 | 0 | 0 | 0 | 111.7 | R90 A91 W92 Q97 R98 | R90-D94 PolarHBondContact O-N 3.26Å; A91-D94 PolarHBondContact O-N 3.45Å; W92-D94 VanDerWaalsContact C-N 3.35Å; W92-D94 PolarHBondContact O-N 2.89Å; D94-Q97 PolarHBondContact O-N 3.46Å; D94-R98 VanDerWaalsContact O-CG 3.3Å; D94-R98 WeakPolarHBondContact O-CG 3.5Å; D94-R98 PolarHBondContact O-N 2.88Å; D94-R98 IonicContact OD1-NE 3.13Å; D94-R98 IonicContact OD1-NH2 3.73Å; D94-R98 IonicContact OD2-CZ 3.32Å; D94-R98 VanDerWaalsContact OD2-CZ 3.28Å; D94-R98 IonicContact OD2-NE 3.54Å; D94-R98 PolarHBondContact OD2-NE 3.39Å; D94-R98 IonicContact OD2-NH2 2.85Å; D94-R98 PolarHBondContact OD2-NH2 2.95Å |
| 95 | F | 91.2 | Very high | 78 | Confident | 92 Ų | 92 | 118 Ų | 118 | 40% | 0.404 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -60.1 | -48.8 | 173.9 | 173 | -99.5 | 0 | 0 | 0 | 111.9 | A91 W92 Q97 R98 Q99 | A91-F95 WeakPolarHBondContact O-CB 3.31Å; A91-F95 PolarHBondContact O-N 3.37Å; W92-F95 AromaticContact CE3-CD1 3.74Å; W92-F95 HydrophobicContact CE3-CD1 3.74Å; W92-F95 HydrophobicContact CE3-CE1 4.39Å; W92-F95 HydrophobicContact CE3-CG 4.42Å; W92-F95 AromaticContact CH2-CD1 3.98Å; W92-F95 HydrophobicContact CH2-CD1 3.98Å; W92-F95 AromaticContact CH2-CE1 3.92Å; W92-F95 HydrophobicContact CH2-CE1 3.92Å; W92-F95 AromaticContact CZ3-CD1 3.4Å; W92-F95 HydrophobicContact CZ3-CD1 3.4Å; W92-F95 VanDerWaalsContact CZ3-CD1 3.4Å; W92-F95 AromaticContact CZ3-CE1 3.6Å; W92-F95 HydrophobicContact CZ3-CE1 3.6Å; W92-F95 HydrophobicContact CZ3-CG 4.36Å; W92-F95 PolarHBondContact O-N 3.39Å; F95-Q97 VanDerWaalsContact C-N 3.34Å; F95-Q97 PolarHBondContact O-N 3.18Å; F95-R98 PolarHBondContact O-N 3.3Å; F95-Q99 HydrophobicContact CD1-CG 4.28Å; F95-Q99 HydrophobicContact CD2-CG 4.45Å; F95-Q99 HydrophobicContact CE1-CG 3.85Å; F95-Q99 HydrophobicContact CE2-CG 4.03Å; F95-Q99 HydrophobicContact CZ-CG 3.71Å; F95-Q99 WeakPolarHBondContact O-CG 3.48Å; F95-Q99 PolarHBondContact O-N 2.95Å |
| 96 | L | 87.1 | Confident | 76.8 | Confident | 81 Ų | 81 | 120.4 Ų | 120.4 | 42% | 0.424 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -61.3 | -42.3 | 177.3 | -72 | 177.9 | 0 | 0 | 0 | 112 | W92 R93 R98 Q99 E100 | W92-L96 HydrophobicContact CD2-CG 4.43Å; W92-L96 HydrophobicContact CH2-CD2 4.44Å; W92-L96 HydrophobicContact CZ2-CD1 4.44Å; W92-L96 HydrophobicContact CZ2-CD2 3.94Å; W92-L96 HydrophobicContact CZ2-CG 4.26Å; W92-L96 WeakPolarHBondContact O-CG 3.34Å; W92-L96 PolarHBondContact O-N 2.92Å; R93-L96 PolarHBondContact O-N 2.9Å; L96-R98 VanDerWaalsContact C-N 3.29Å; L96-R98 PolarHBondContact O-N 2.9Å; L96-Q99 PolarHBondContact O-N 3.47Å; L96-E100 PolarHBondContact O-N 3.25Å |
| 97 | Q | 81.8 | Confident | 75.5 | Confident | 124 Ų | 124 | 120.2 Ų | 120.2 | 58% | 0.579 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -60.3 | -38.9 | 176.9 | -175.6 | 175.6 | -20 | 0 | 0 | 111.9 | R93 D94 F95 V101 | R93-Q97 WeakPolarHBondContact O-CB 3.37Å; R93-Q97 PolarHBondContact O-N 3.14Å; D94-Q97 PolarHBondContact O-N 3.46Å; F95-Q97 VanDerWaalsContact C-N 3.34Å; F95-Q97 PolarHBondContact O-N 3.18Å; Q97-V101 VanDerWaalsContact O-CG2 3.27Å; Q97-V101 WeakPolarHBondContact O-CG2 3.2Å; Q97-V101 PolarHBondContact O-N 3Å |
| 98 | R | 79.3 | Confident | 74.1 | Confident | 159 Ų | 159 | 120.6 Ų | 120.6 | 60% | 0.6 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -70.1 | -38.4 | 175.9 | -67.5 | 168.3 | -169.4 | -81.8 | -4 | 112.3 | D94 F95 L96 E100 V101 E102 | D94-R98 VanDerWaalsContact O-CG 3.3Å; D94-R98 WeakPolarHBondContact O-CG 3.5Å; D94-R98 PolarHBondContact O-N 2.88Å; D94-R98 IonicContact OD1-NE 3.13Å; D94-R98 IonicContact OD1-NH2 3.73Å; D94-R98 IonicContact OD2-CZ 3.32Å; D94-R98 VanDerWaalsContact OD2-CZ 3.28Å; D94-R98 IonicContact OD2-NE 3.54Å; D94-R98 PolarHBondContact OD2-NE 3.39Å; D94-R98 IonicContact OD2-NH2 2.85Å; D94-R98 PolarHBondContact OD2-NH2 2.95Å; F95-R98 PolarHBondContact O-N 3.3Å; L96-R98 VanDerWaalsContact C-N 3.29Å; L96-R98 PolarHBondContact O-N 2.9Å; R98-E100 PolarHBondContact O-N 3.46Å; R98-V101 PolarHBondContact O-N 3.19Å; R98-E102 PolarHBondContact O-N 2.87Å |
| 99 | Q | 70.3 | Confident | 72.3 | Confident | 79 Ų | 79 | 120.6 Ų | 120.6 | 37% | 0.369 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -64.9 | -36.5 | 177.2 | -72.6 | -65.5 | -24.1 | 0 | 0 | 112.7 | F95 L96 V101 | F95-Q99 HydrophobicContact CD1-CG 4.28Å; F95-Q99 HydrophobicContact CD2-CG 4.45Å; F95-Q99 HydrophobicContact CE1-CG 3.85Å; F95-Q99 HydrophobicContact CE2-CG 4.03Å; F95-Q99 HydrophobicContact CZ-CG 3.71Å; F95-Q99 WeakPolarHBondContact O-CG 3.48Å; F95-Q99 PolarHBondContact O-N 2.95Å; L96-Q99 PolarHBondContact O-N 3.47Å; Q99-V101 VanDerWaalsContact C-N 3.3Å; Q99-V101 PolarHBondContact O-N 3.26Å |
| 100 | E | 59.9 | Low | 70.4 | Confident | 122 Ų | 122 | 120.8 Ų | 120.8 | 57% | 0.57 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -69.3 | -27 | 175.8 | -69.1 | -139.6 | 124.3 | 0 | 0 | 113.4 | L96 R98 R104 | L96-E100 PolarHBondContact O-N 3.25Å; R98-E100 PolarHBondContact O-N 3.46Å; E100-R104 IonicContact OE1-NH1 3.78Å |
| 101 | V | 56.9 | Low | 68.6 | Low | 107 Ų | 107 | 120.3 Ų | 120.3 | 65% | 0.648 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -81.2 | -28.1 | -179.5 | 174.5 | 0 | 0 | 0 | 0 | 112.2 | Q97 R98 Q99 | Q97-V101 VanDerWaalsContact O-CG2 3.27Å; Q97-V101 WeakPolarHBondContact O-CG2 3.2Å; Q97-V101 PolarHBondContact O-N 3Å; R98-V101 PolarHBondContact O-N 3.19Å; Q99-V101 VanDerWaalsContact C-N 3.3Å; Q99-V101 PolarHBondContact O-N 3.26Å |
| 102 | E | 56.8 | Low | 66.6 | Low | 157 Ų | 157 | 123.2 Ų | 123.2 | 73% | 0.734 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -80 | -25.1 | -178.5 | -166.5 | 173.2 | -178.8 | 0 | 0 | 113.4 | R98 | R98-E102 PolarHBondContact O-N 2.87Å |
| 103 | K | 53.7 | Low | 65.2 | Low | 179 Ų | 179 | 121.4 Ų | 121.4 | 78% | 0.778 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -101.9 | -10.3 | -178.7 | -64.9 | -77.8 | -178.5 | 175 | 0 | 114.5 | ||
| 104 | R | 53.8 | Low | 63.9 | Low | 166 Ų | 166 | 119 Ų | 119 | 63% | 0.626 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -105.5 | 107 | 170.2 | -76.5 | -172.9 | 165.1 | 91.7 | -0.2 | 108 | E100 P106 | E100-R104 IonicContact OE1-NH1 3.78Å; R104-P106 VanDerWaalsContact O-N 3.15Å |
| 105 | S | 55.5 | Low | 62.6 | Low | 105 Ų | 105 | 122.9 Ų | 122.9 | 73% | 0.734 | 68% | 0.677 | S | S | * | * | trans | -40.8 | 126.8 | 153.9 | -55.3 | 0 | 0 | 0 | 0 | 106.9 | S107 | S105-S107 PolarHBondContact O-N 3.35Š| ||
| 106 | P | 60.1 | Low | 61.3 | Low | 121 Ų | 121 | 127.5 Ų | 127.5 | 79% | 0.786 | 70% | 0.697 | S | S | * | * | trans | -56.9 | 110.1 | 178.7 | 23.5 | -30.9 | 0 | 0 | 0 | 105.3 | R104 P108 | R104-P106 VanDerWaalsContact O-N 3.15Å; P106-P108 VanDerWaalsContact O-N 3.15Å | ||
| 107 | S | 57.8 | Low | 59.8 | Low | 105 Ų | 105 | 130.8 Ų | 130.8 | 73% | 0.734 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 129.6 | 171.6 | -72 | 0 | 0 | 0 | 0 | 105.3 | S105 | S105-S107 PolarHBondContact O-N 3.35Š|
| 108 | P | 57.8 | Low | 58.5 | Low | 107 Ų | 107 | 130.4 Ų | 130.4 | 70% | 0.695 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 140.6 | 174.9 | 23.8 | -32.1 | 0 | 0 | 0 | 107 | P106 S110 | P106-P108 VanDerWaalsContact O-N 3.15Å; P108-S110 PolarHBondContact O-N 2.92Å |
| 109 | P | 52.9 | Low | 57.6 | Low | 118 Ų | 118 | 129.7 Ų | 129.7 | 77% | 0.766 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -49.6 | 119.2 | 175.9 | 20.9 | -30.8 | 0 | 0 | 0 | 106.9 | L111 | P109-L111 PolarHBondContact O-N 2.83Š|
| 110 | S | 53.8 | Low | 57.4 | Low | 117 Ų | 117 | 131.2 Ų | 131.2 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -54 | 116.9 | 171 | -59.7 | 0 | 0 | 0 | 0 | 105.3 | P108 S112 | P108-S110 PolarHBondContact O-N 2.92Å; S110-S112 PolarHBondContact O-N 3.05Å |
| 111 | L | 48.1 | Very low | 57.5 | Low | 165 Ų | 165 | 132.6 Ų | 132.6 | 86% | 0.864 | 76% | 0.758 | S | S | * | * | trans | -47.6 | 111.2 | 177.4 | -65.4 | 169.3 | 0 | 0 | 0 | 106.6 | P109 S113 | P109-L111 PolarHBondContact O-N 2.83Å; L111-S113 PolarHBondContact O-N 2.84Å | ||
| 112 | S | 49.7 | Very low | 58 | Low | 120 Ų | 120 | 132.1 Ų | 132.1 | 84% | 0.839 | 76% | 0.759 | S | S | * | * | trans | -67.1 | 81 | 161.7 | -169.8 | 0 | 0 | 0 | 0 | 105.4 | S110 S114 | S110-S112 PolarHBondContact O-N 3.05Å; S112-S114 PolarHBondContact O-N 2.79Å | ||
| 113 | S | 64 | Low | 58.5 | Low | 112 Ų | 112 | 131.6 Ų | 131.6 | 78% | 0.783 | 76% | 0.758 | S | S | * | * | trans | -67.2 | 88.6 | 163.6 | 154.1 | 0 | 0 | 0 | 0 | 105.7 | L111 | L111-S113 PolarHBondContact O-N 2.84Š| ||
| 114 | S | 63 | Low | 59 | Low | 99 Ų | 99 | 130 Ų | 130 | 69% | 0.692 | 76% | 0.755 | S | S | * | * | trans | 168.9 | 82.9 | 145 | 178.1 | 0 | 0 | 0 | 0 | 110.3 | S112 | S112-S114 PolarHBondContact O-N 2.79Š| ||
| 115 | D | 61.4 | Low | 59.6 | Low | 146 Ų | 146 | 127.3 Ų | 127.3 | 78% | 0.781 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -148.9 | 109.1 | 130 | -122.5 | -53.1 | 0 | 0 | 0 | 110.2 | ||
| 116 | K | 64.8 | Low | 59.7 | Low | 188 Ų | 188 | 129.3 Ų | 129.3 | 82% | 0.817 | 76% | 0.759 | S | S | * | * | S | Bend | trans | 47.2 | 89.2 | 162.8 | -61.9 | -158.6 | -176.3 | -172.1 | 0 | 119.7 | ||
| 117 | M | 54 | Low | 59.6 | Low | 150 Ų | 150 | 128.8 Ų | 128.8 | 74% | 0.739 | 76% | 0.759 | S | S | * | * | -171.4 | 90.2 | 121.4 | 38.9 | 178.4 | -101.4 | 0 | 0 | 110.1 | M119 | M117-M119 HydrophobicContact CB-CE 3.96Å; M117-M119 HydrophobicContact CB-CG 4.35Å; M117-M119 HydrophobicContact CE-CG 4.04Å; M117-M119 PolarHBondContact O-N 2.8Å | |||
| 118 | S | 54.8 | Low | 59.6 | Low | 117 Ų | 117 | 129.9 Ų | 129.9 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | trans | -66.8 | 90.3 | 157.9 | -61.6 | 0 | 0 | 0 | 0 | 107.7 | S120 | S118-S120 VanDerWaalsContact C-N 3.26Å; S118-S120 PolarHBondContact O-N 3.28Å; S118-S120 VanDerWaalsContact O-N 3.15Å | ||
| 119 | M | 61.6 | Low | 59.8 | Low | 143 Ų | 143 | 127.9 Ų | 127.9 | 70% | 0.704 | 76% | 0.755 | S | S | * | * | trans | -81.8 | 80.9 | 165.5 | -68.9 | -66.7 | 114.3 | 0 | 0 | 107.4 | M117 I121 | M117-M119 HydrophobicContact CB-CE 3.96Å; M117-M119 HydrophobicContact CB-CG 4.35Å; M117-M119 HydrophobicContact CE-CG 4.04Å; M117-M119 PolarHBondContact O-N 2.8Å; M119-I121 PolarHBondContact O-N 2.87Å | ||
| 120 | S | 64.3 | Low | 59.6 | Low | 111 Ų | 111 | 126.8 Ų | 126.8 | 78% | 0.776 | 75% | 0.75 | S | S | * | * | trans | -66 | 110.2 | 168.6 | 39.1 | 0 | 0 | 0 | 0 | 109.1 | S118 | S118-S120 VanDerWaalsContact C-N 3.26Å; S118-S120 PolarHBondContact O-N 3.28Å; S118-S120 VanDerWaalsContact O-N 3.15Å | ||
| 121 | I | 62 | Low | 59.6 | Low | 152 Ų | 152 | 126.7 Ų | 126.7 | 78% | 0.779 | 75% | 0.745 | S | S | * | * | trans | -87.3 | 105 | 165 | -59.1 | 171.3 | 0 | 0 | 0 | 106.6 | M119 | M119-I121 PolarHBondContact O-N 2.87Š| ||
| 122 | S | 67.8 | Low | 59.9 | Low | 96 Ų | 96 | 124.3 Ų | 124.3 | 67% | 0.671 | 74% | 0.739 | S | S | * | * | trans | -76.9 | 118.7 | 171.2 | -175.4 | 0 | 0 | 0 | 0 | 109.2 | M124 | S122-M124 PolarHBondContact O-N 3Š| ||
| 123 | M | 68.3 | Low | 60.2 | Low | 147 Ų | 147 | 123.6 Ų | 123.6 | 72% | 0.724 | 73% | 0.729 | S | S | * | * | trans | -86.4 | 95.3 | 167.7 | -77.4 | -67.8 | -67.4 | 0 | 0 | 108.7 | T125 | M123-T125 HydrophobicContact CE-CG2 4.24Å; M123-T125 PolarHBondContact O-N 2.82Å | ||
| 124 | M | 64.6 | Low | 59.6 | Low | 145 Ų | 145 | 123.4 Ų | 123.4 | 71% | 0.714 | 73% | 0.728 | S | S | * | * | trans | -86.9 | 93.2 | 162 | -68.1 | -89.9 | 78 | 0 | 0 | 107.8 | S122 L126 | S122-M124 PolarHBondContact O-N 3Å; M124-L126 PolarHBondContact O-N 2.79Å | ||
| 125 | T | 64.7 | Low | 58.8 | Low | 110 Ų | 110 | 126.3 Ų | 126.3 | 68% | 0.675 | 73% | 0.73 | S | S | * | * | trans | -74.8 | 83 | 160.9 | 55 | 0 | 0 | 0 | 0 | 107.2 | M123 S127 | M123-T125 HydrophobicContact CE-CG2 4.24Å; M123-T125 PolarHBondContact O-N 2.82Å; T125-S127 PolarHBondContact O-N 2.94Å | ||
| 126 | L | 58.2 | Low | 58.2 | Low | 147 Ų | 147 | 124.3 Ų | 124.3 | 77% | 0.77 | 73% | 0.725 | S | S | * | * | trans | -68.3 | 94.5 | 161.5 | -62.5 | 176.8 | 0 | 0 | 0 | 105.8 | M124 D128 | M124-L126 PolarHBondContact O-N 2.79Å; L126-D128 PolarHBondContact O-N 3.2Å | ||
| 127 | S | 58.5 | Low | 57.3 | Low | 110 Ų | 110 | 120.4 Ų | 120.4 | 77% | 0.769 | 72% | 0.721 | S | S | * | * | trans | -62.6 | 99 | 156.3 | -63.4 | 0 | 0 | 0 | 0 | 105.2 | T125 G129 | T125-S127 PolarHBondContact O-N 2.94Å; S127-G129 PolarHBondContact O-N 2.77Å | ||
| 128 | D | 57.2 | Low | 57.3 | Low | 128 Ų | 128 | 119.3 Ų | 119.3 | 68% | 0.684 | 72% | 0.723 | S | S | * | * | trans | -60.6 | 114.6 | 168.2 | 72.9 | -25.4 | 0 | 0 | 0 | 106 | L126 S130 | L126-D128 PolarHBondContact O-N 3.2Å; D128-S130 PolarHBondContact O-N 3.33Å | ||
| 129 | G | 61.6 | Low | 57 | Low | 64 Ų | 64 | 119.5 Ų | 119.5 | 66% | 0.66 | 72% | 0.72 | S | S | * | * | trans | -60.5 | 86 | 166.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | S127 T131 | S127-G129 PolarHBondContact O-N 2.77Å; G129-T131 PolarHBondContact O-N 2.98Å; G129-T131 PolarHBondContact O-OG1 2.72Å; G129-T131 VanDerWaalsContact O-OG1 3.1Å | ||
| 130 | S | 49.9 | Very low | 56.5 | Low | 95 Ų | 95 | 121.5 Ų | 121.5 | 66% | 0.664 | 73% | 0.727 | S | S | * | * | trans | -62.2 | 91.4 | 162.3 | -76.8 | 0 | 0 | 0 | 0 | 105.6 | D128 P132 | D128-S130 PolarHBondContact O-N 3.33Å; S130-P132 WeakPolarHBondContact O-CD 3.38Å | ||
| 131 | T | 54.2 | Low | 56 | Low | 116 Ų | 116 | 121.8 Ų | 121.8 | 71% | 0.712 | 72% | 0.724 | S | S | * | * | trans | -85.6 | 104.3 | 173 | -45.4 | 0 | 0 | 0 | 0 | 106 | G129 V133 | G129-T131 PolarHBondContact O-N 2.98Å; G129-T131 PolarHBondContact O-OG1 2.72Å; G129-T131 VanDerWaalsContact O-OG1 3.1Å; T131-V133 VanDerWaalsContact C-N 3.33Å; T131-V133 HydrophobicContact CG2-CG2 4.49Å; T131-V133 PolarHBondContact O-N 3.05Å | ||
| 132 | P | 54.2 | Low | 55 | Low | 115 Ų | 115 | 125.9 Ų | 125.9 | 75% | 0.747 | 73% | 0.73 | S | S | * | * | trans | -79.1 | 95 | 152 | 29.5 | -29.2 | 0 | 0 | 0 | 106.9 | S130 S134 | S130-P132 WeakPolarHBondContact O-CD 3.38Å; P132-S134 PolarHBondContact O-N 3.12Å | ||
| 133 | V | 54.7 | Low | 54 | Low | 104 Ų | 104 | 133.4 Ų | 133.4 | 63% | 0.63 | 75% | 0.754 | S | S | * | * | trans | -61.3 | 113.7 | 155.2 | 125.5 | 0 | 0 | 0 | 0 | 106.5 | T131 | T131-V133 VanDerWaalsContact C-N 3.33Å; T131-V133 HydrophobicContact CG2-CG2 4.49Å; T131-V133 PolarHBondContact O-N 3.05Å | ||
| 134 | S | 52 | Low | 53.3 | Low | 108 Ų | 108 | 132.7 Ų | 132.7 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | trans | -162.3 | 80.6 | 157.6 | -75.7 | 0 | 0 | 0 | 0 | 108.3 | P132 | P132-S134 PolarHBondContact O-N 3.12Š| ||
| 135 | H | 46.7 | Very low | 52.7 | Low | 161 Ų | 161 | 132.1 Ų | 132.1 | 75% | 0.745 | 76% | 0.757 | S | S | * | * | trans | 10.5 | 165.6 | 141.1 | -56.3 | -78.6 | 0 | 0 | 0 | 120.4 | ||||
| 136 | P | 47.3 | Very low | 52 | Low | 103 Ų | 103 | 133.3 Ų | 133.3 | 67% | 0.669 | 76% | 0.762 | S | S | * | * | cis | -136 | 170.5 | -32.7 | 34.6 | -17 | 0 | 0 | 0 | 113.6 | ||||
| 137 | S | 47 | Very low | 51.7 | Low | 106 Ų | 106 | 132.5 Ų | 132.5 | 74% | 0.741 | 76% | 0.761 | S | S | * | * | trans | 65.5 | 133.4 | 155.4 | 26.9 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 138 | V | 53.8 | Low | 51.2 | Low | 128 Ų | 128 | 133.9 Ų | 133.9 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | -156.7 | 132.2 | 69.9 | 165.7 | 0 | 0 | 0 | 0 | 110 | |||||
| 139 | T | 49.3 | Very low | 50.8 | Low | 121 Ų | 121 | 134.3 Ų | 134.3 | 74% | 0.742 | 77% | 0.766 | S | S | * | * | trans | -52.7 | 129.9 | 162.3 | 12.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 140 | H | 49.2 | Very low | 50.1 | Low | 184 Ų | 184 | 139.3 Ų | 139.3 | 85% | 0.852 | 77% | 0.773 | S | S | * | * | trans | -145.7 | 104 | 146.4 | -115.3 | 63.5 | 0 | 0 | 0 | 111.7 | ||||
| 141 | T | 53.8 | Low | 50.1 | Low | 118 Ų | 118 | 142.7 Ų | 142.7 | 72% | 0.724 | 78% | 0.782 | S | S | * | * | trans | -60.9 | 131.7 | 159.7 | -52.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 142 | R | 42.3 | Very low | 49.7 | Very low | 237 Ų | 237 | 144.9 Ų | 144.9 | 89% | 0.894 | 79% | 0.788 | S | S | * | * | trans | -157.5 | 138.1 | 143.5 | -145.3 | 167.9 | 178.6 | 172.1 | -1.6 | 112.1 | ||||
| 143 | H | 46.6 | Very low | 49.3 | Very low | 254 Ų | 254 | 147.6 Ų | 147.6 | 100% | 1.176 | 79% | 0.791 | S | S | * | * | trans | -47.6 | 0 | -178.6 | -79.4 | -97 | 0 | 0 | 0 | 115.9 |
Retrieved 143 of 143 residues in 50.3 ms
(Link to these results)