| 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 | 38.3 | Very low | 37.8 | Very low | 240 Ų | 240 | 146.3 Ų | 146.3 | 100% | 1.182 | 81% | 0.807 | S | S | * | * | 0 | 95.7 | 0 | -68.1 | 144.7 | 125.3 | 0 | 0 | 105.7 | |||||
| 2 | N | 33.3 | Very low | 37.5 | Very low | 149 Ų | 149 | 141.6 Ų | 141.6 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | cis | 45.6 | 120.2 | 38.6 | -139.6 | -7.2 | 0 | 0 | 0 | 114.3 | ||||
| 3 | V | 39.7 | Very low | 37.4 | Very low | 109 Ų | 109 | 146.2 Ų | 146.2 | 66% | 0.661 | 79% | 0.791 | S | S | * | * | 163.8 | 101.8 | 129 | 154.8 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 4 | K | 40.6 | Very low | 37.7 | Very low | 162 Ų | 162 | 143.4 Ų | 143.4 | 70% | 0.704 | 78% | 0.784 | S | S | * | * | 88.8 | 152.7 | 110.7 | -66.9 | -171.2 | -163.8 | 173.5 | 0 | 112.9 | |||||
| 5 | D | 39.8 | Very low | 37.9 | Very low | 123 Ų | 123 | 145.1 Ų | 145.1 | 66% | 0.658 | 79% | 0.79 | S | S | * | * | cis | -176.6 | 173.3 | -13.7 | -93.8 | -27.4 | 0 | 0 | 0 | 105.2 | ||||
| 6 | M | 42.3 | Very low | 37.9 | Very low | 171 Ų | 171 | 144.3 Ų | 144.3 | 84% | 0.842 | 80% | 0.795 | S | S | * | * | trans | 94.1 | 141.1 | 158.1 | -53.7 | -121.1 | -176.1 | 0 | 0 | 117.4 | ||||
| 7 | H | 37 | Very low | 37.8 | Very low | 173 Ų | 173 | 146 Ų | 146 | 80% | 0.801 | 80% | 0.796 | S | S | * | * | cis | 179 | 145.6 | -32.9 | -113.5 | -62 | 0 | 0 | 0 | 103.9 | ||||
| 8 | G | 32.6 | Very low | 37.6 | Very low | 82 Ų | 82 | 145.9 Ų | 145.9 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | trans | 88.1 | 134.8 | 155.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 9 | G | 34 | Very low | 37.4 | Very low | 79 Ų | 79 | 148.9 Ų | 148.9 | 81% | 0.814 | 79% | 0.788 | S | S | * | * | cis | -164.8 | 146.3 | 10.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 10 | H | 44.4 | Very low | 37.1 | Very low | 170 Ų | 170 | 149.3 Ų | 149.3 | 79% | 0.787 | 79% | 0.787 | S | S | * | * | trans | -78.7 | 121.7 | 172.1 | -178.6 | -152 | 0 | 0 | 0 | 108.4 | ||||
| 11 | L | 34.1 | Very low | 37.1 | Very low | 151 Ų | 151 | 147 Ų | 147 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | trans | -139.9 | 93.4 | 159.1 | -89.4 | 171.1 | 0 | 0 | 0 | 109.1 | Y13 | L11-Y13 HydrophobicContact CD2-CD2 3.97Å; L11-Y13 HydrophobicContact CD2-CE2 3.59Å | ||
| 12 | C | 34.4 | Very low | 37.1 | Very low | 90 Ų | 90 | 138.3 Ų | 138.3 | 61% | 0.608 | 76% | 0.761 | S | S | * | * | trans | -89.4 | 129.1 | 162.9 | -176.7 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 13 | Y | 35.3 | Very low | 37.6 | Very low | 202 Ų | 202 | 143 Ų | 143 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | trans | -154.6 | 152.6 | 162 | -83.3 | -55.9 | 0 | 0 | 0 | 109.8 | L11 | L11-Y13 HydrophobicContact CD2-CD2 3.97Å; L11-Y13 HydrophobicContact CD2-CE2 3.59Å | ||
| 14 | P | 42.2 | Very low | 37.8 | Very low | 106 Ų | 106 | 141.6 Ų | 141.6 | 69% | 0.688 | 78% | 0.777 | S | S | * | * | -118.6 | 155.7 | -116.6 | 34.5 | -21.4 | 0 | 0 | 0 | 113.4 | |||||
| 15 | L | 40.7 | Very low | 38.1 | Very low | 169 Ų | 169 | 142.1 Ų | 142.1 | 89% | 0.885 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 127.6 | 164 | -77.4 | 161.6 | 0 | 0 | 0 | 109 | Q17 | L15-Q17 PolarHBondContact O-N 2.76Š|
| 16 | P | 37.9 | Very low | 38.1 | Very low | 132 Ų | 132 | 145.4 Ų | 145.4 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 119 | 173.7 | -14.1 | 28.5 | 0 | 0 | 0 | 109.9 | ||
| 17 | Q | 36.3 | Very low | 38 | Very low | 174 Ų | 174 | 142.3 Ų | 142.3 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -102.1 | 156.1 | 162 | -164.6 | 163.3 | -8.4 | 0 | 0 | 108.4 | L15 | L15-Q17 PolarHBondContact O-N 2.76Š|
| 18 | E | 34.5 | Very low | 38.2 | Very low | 144 Ų | 144 | 138.3 Ų | 138.3 | 67% | 0.673 | 78% | 0.78 | S | S | * | * | trans | 99.4 | 119.2 | -176.4 | -57.4 | -55.7 | 123.2 | 0 | 0 | 112.6 | ||||
| 19 | R | 33.8 | Very low | 39 | Very low | 204 Ų | 204 | 140.2 Ų | 140.2 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | cis | -163 | 139.9 | 18 | -111.4 | -166.8 | -81.6 | -169.2 | -4.4 | 113.1 | ||||
| 20 | M | 31.3 | Very low | 39.2 | Very low | 156 Ų | 156 | 144.5 Ų | 144.5 | 77% | 0.768 | 78% | 0.777 | S | S | * | * | trans | 81.6 | 131.3 | 137.3 | -61 | -61.4 | 150.2 | 0 | 0 | 122.5 | ||||
| 21 | A | 36.7 | Very low | 39.3 | Very low | 101 Ų | 101 | 147.4 Ų | 147.4 | 84% | 0.835 | 78% | 0.781 | S | S | * | * | trans | 102.5 | 100.2 | 137.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 22 | G | 39 | Very low | 40.1 | Very low | 57 Ų | 57 | 146.9 Ų | 146.9 | 59% | 0.588 | 78% | 0.777 | S | S | * | * | trans | 147 | 99.8 | 137.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 23 | Y | 44 | Very low | 40.6 | Very low | 248 Ų | 248 | 150.7 Ų | 150.7 | 97% | 0.973 | 78% | 0.784 | S | S | * | * | trans | 39.1 | 124.1 | 138.8 | -43.4 | -80.6 | 0 | 0 | 0 | 118.8 | ||||
| 24 | G | 43.6 | Very low | 40.6 | Very low | 79 Ų | 79 | 146.8 Ų | 146.8 | 81% | 0.814 | 78% | 0.784 | S | S | * | * | cis | -178.3 | 132.5 | 9.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 25 | L | 46.5 | Very low | 40.5 | Very low | 174 Ų | 174 | 150.5 Ų | 150.5 | 91% | 0.911 | 79% | 0.79 | S | S | * | * | trans | -84.3 | 116.5 | 171.5 | -77.1 | 156.9 | 0 | 0 | 0 | 108.1 | ||||
| 26 | F | 39 | Very low | 40.8 | Very low | 191 Ų | 191 | 147.1 Ų | 147.1 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | trans | -123 | 73.8 | 159.1 | -141.3 | -94.3 | 0 | 0 | 0 | 108.9 | S28 | F26-S28 PolarHBondContact O-N 2.64Š| ||
| 27 | C | 41.2 | Very low | 40.8 | Very low | 107 Ų | 107 | 147 Ų | 147 | 72% | 0.723 | 78% | 0.784 | S | S | * | * | trans | -87.7 | 84 | 163.6 | -168.7 | 0 | 0 | 0 | 0 | 107.2 | T29 | C27-T29 PolarHBondContact O-N 2.99Š| ||
| 28 | S | 40.4 | Very low | 41.6 | Very low | 88 Ų | 88 | 146.8 Ų | 146.8 | 62% | 0.615 | 79% | 0.788 | S | S | * | * | trans | -75.5 | 92.3 | 172.7 | 51.4 | 0 | 0 | 0 | 0 | 109.1 | F26 M30 | F26-S28 PolarHBondContact O-N 2.64Å; S28-M30 PolarHBondContact O-N 3.29Å | ||
| 29 | T | 49.9 | Very low | 42 | Very low | 123 Ų | 123 | 145.5 Ų | 145.5 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | trans | -67.3 | 96 | 163.6 | 54 | 0 | 0 | 0 | 0 | 108.2 | C27 R31 | C27-T29 PolarHBondContact O-N 2.99Å; T29-R31 PolarHBondContact O-N 3.12Å; T29-R31 VanDerWaalsContact O-N 3.08Å | ||
| 30 | M | 37.9 | Very low | 42.5 | Very low | 169 Ų | 169 | 142.1 Ų | 142.1 | 83% | 0.833 | 80% | 0.795 | S | S | * | * | trans | -76.5 | 101.5 | 175.9 | -159.7 | 144.6 | 68.4 | 0 | 0 | 109 | S28 I32 | S28-M30 PolarHBondContact O-N 3.29Å; M30-I32 PolarHBondContact O-N 3.16Å; M30-I32 VanDerWaalsContact O-N 3.13Å | ||
| 31 | R | 47.6 | Very low | 43 | Very low | 230 Ų | 230 | 140.6 Ų | 140.6 | 87% | 0.868 | 79% | 0.794 | S | S | * | * | trans | -68.9 | 99.7 | 172.7 | -146.6 | -177.3 | -160.2 | -176.9 | 4.7 | 107.6 | T29 K33 | T29-R31 PolarHBondContact O-N 3.12Å; T29-R31 VanDerWaalsContact O-N 3.08Å; R31-K33 PolarHBondContact O-N 3.08Å; R31-K33 VanDerWaalsContact O-N 3.1Å | ||
| 32 | I | 49 | Very low | 43.5 | Very low | 140 Ų | 140 | 147.4 Ų | 147.4 | 72% | 0.718 | 80% | 0.798 | S | S | * | * | trans | -70.8 | 106.4 | 176.8 | -62 | 174 | 0 | 0 | 0 | 108 | M30 C34 | M30-I32 PolarHBondContact O-N 3.16Å; M30-I32 VanDerWaalsContact O-N 3.13Å; I32-C34 PolarHBondContact O-N 2.64Å | ||
| 33 | K | 45.4 | Very low | 43.5 | Very low | 170 Ų | 170 | 152.8 Ų | 152.8 | 74% | 0.739 | 81% | 0.806 | S | S | * | * | trans | -78.6 | 109.1 | 160 | -75.5 | -179.9 | 179 | 176.2 | 0 | 107 | R31 F35 | R31-K33 PolarHBondContact O-N 3.08Å; R31-K33 VanDerWaalsContact O-N 3.1Å; K33-F35 HydrophobicContact CB-CD2 4.37Å; K33-F35 HydrophobicContact CB-CE2 4.38Å; K33-F35 HydrophobicContact CD-CE2 4.43Å; K33-F35 PolarHBondContact O-N 3.48Å; K33-F35 VanDerWaalsContact O-N 3.1Å | ||
| 34 | C | 36.7 | Very low | 43.6 | Very low | 120 Ų | 120 | 146.6 Ų | 146.6 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | trans | -68.4 | 102.5 | 167.7 | -62.4 | 0 | 0 | 0 | 0 | 108.5 | I32 | I32-C34 PolarHBondContact O-N 2.64Š| ||
| 35 | F | 38.4 | Very low | 43.7 | Very low | 184 Ų | 184 | 148.3 Ų | 148.3 | 81% | 0.807 | 79% | 0.785 | S | S | * | * | trans | -93.3 | 117.4 | 157.1 | -84.4 | -79.1 | 0 | 0 | 0 | 107.8 | K33 T37 | K33-F35 HydrophobicContact CB-CD2 4.37Å; K33-F35 HydrophobicContact CB-CE2 4.38Å; K33-F35 HydrophobicContact CD-CE2 4.43Å; K33-F35 PolarHBondContact O-N 3.48Å; K33-F35 VanDerWaalsContact O-N 3.1Å; F35-T37 PolarHBondContact O-N 3.23Å | ||
| 36 | A | 47.5 | Very low | 43.7 | Very low | 98 Ų | 98 | 144.1 Ų | 144.1 | 81% | 0.81 | 77% | 0.77 | S | S | * | * | trans | -76.8 | 114.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 37 | T | 37.8 | Very low | 44.3 | Very low | 131 Ų | 131 | 141.1 Ų | 141.1 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | -144.1 | 120.3 | 156.9 | 53.1 | 0 | 0 | 0 | 0 | 109.5 | F35 T39 | F35-T37 PolarHBondContact O-N 3.23Å; T37-T39 PolarHBondContact O-N 3.08Å | ||
| 38 | N | 52.9 | Low | 44.7 | Very low | 169 Ų | 169 | 143.8 Ų | 143.8 | 90% | 0.904 | 77% | 0.769 | S | S | * | * | trans | -64.1 | 110.9 | 178.3 | -85.3 | -72.4 | 0 | 0 | 0 | 111.6 | ||||
| 39 | T | 43.2 | Very low | 45.1 | Very low | 116 Ų | 116 | 146 Ų | 146 | 71% | 0.712 | 77% | 0.773 | S | S | * | * | trans | -160.5 | 131 | 150.1 | 42 | 0 | 0 | 0 | 0 | 110 | T37 V41 | T37-T39 PolarHBondContact O-N 3.08Å; T39-V41 PolarHBondContact O-N 3.07Å | ||
| 40 | P | 45.2 | Very low | 45.3 | Very low | 133 Ų | 133 | 150.9 Ų | 150.9 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | trans | -89.6 | 89.8 | -179.3 | 33.6 | -31.5 | 0 | 0 | 0 | 111 | ||||
| 41 | V | 40.7 | Very low | 46 | Very low | 124 Ų | 124 | 154 Ų | 154 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | trans | -85.4 | 111.2 | 160.9 | -178.8 | 0 | 0 | 0 | 0 | 107.4 | T39 F43 | T39-V41 PolarHBondContact O-N 3.07Å; V41-F43 PolarHBondContact O-N 3.43Å | ||
| 42 | R | 47.3 | Very low | 46.5 | Very low | 245 Ų | 245 | 149.3 Ų | 149.3 | 93% | 0.925 | 77% | 0.773 | S | S | * | * | trans | -57.6 | 100.5 | 171.6 | -88.5 | 179.6 | 165.7 | 165.8 | -3.9 | 109.4 | C44 | R42-C44 PolarHBondContact O-N 3.12Š| ||
| 43 | F | 39.2 | Very low | 47.1 | Very low | 170 Ų | 170 | 148.4 Ų | 148.4 | 75% | 0.746 | 78% | 0.776 | S | S | * | * | trans | -82.1 | 100.1 | 164.8 | -145.3 | -111.2 | 0 | 0 | 0 | 107.7 | V41 M45 | V41-F43 PolarHBondContact O-N 3.43Å; F43-M45 VanDerWaalsContact C-N 3.26Å; F43-M45 HydrophobicContact CD1-CG 3.71Å; F43-M45 HydrophobicContact CD1-SD 3.48Å; F43-M45 WeakPolarHBondContact CD1-SD 3.46Å; F43-M45 HydrophobicContact CE1-CG 4.16Å; F43-M45 HydrophobicContact CE1-SD 3.29Å; F43-M45 WeakPolarHBondContact CE1-SD 3.14Å; F43-M45 PolarHBondContact O-N 3.06Å | ||
| 44 | C | 46.1 | Very low | 47.6 | Very low | 117 Ų | 117 | 146.2 Ų | 146.2 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | trans | -69 | 88.1 | 168.5 | -176.4 | 0 | 0 | 0 | 0 | 107.8 | R42 S46 | R42-C44 PolarHBondContact O-N 3.12Å; C44-S46 PolarHBondContact O-N 3.22Å | ||
| 45 | M | 45.9 | Very low | 48.6 | Very low | 116 Ų | 116 | 146 Ų | 146 | 57% | 0.571 | 78% | 0.775 | S | S | * | * | trans | -78.9 | 103.8 | 163.2 | -77.5 | -48.8 | -45.1 | 0 | 0 | 108.5 | F43 N47 | F43-M45 VanDerWaalsContact C-N 3.26Å; F43-M45 HydrophobicContact CD1-CG 3.71Å; F43-M45 HydrophobicContact CD1-SD 3.48Å; F43-M45 WeakPolarHBondContact CD1-SD 3.46Å; F43-M45 HydrophobicContact CE1-CG 4.16Å; F43-M45 HydrophobicContact CE1-SD 3.29Å; F43-M45 WeakPolarHBondContact CE1-SD 3.14Å; F43-M45 PolarHBondContact O-N 3.06Å; M45-N47 VanDerWaalsContact C-N 3.31Å; M45-N47 PolarHBondContact O-N 3.28Å | ||
| 46 | S | 46.7 | Very low | 49.6 | Very low | 85 Ų | 85 | 140.6 Ų | 140.6 | 59% | 0.594 | 77% | 0.772 | S | S | * | * | trans | -51.2 | 96.2 | 159 | 38.7 | 0 | 0 | 0 | 0 | 109.5 | C44 L48 | C44-S46 PolarHBondContact O-N 3.22Å; S46-L48 PolarHBondContact O-N 2.85Å | ||
| 47 | N | 52.1 | Low | 50.1 | Low | 129 Ų | 129 | 146.1 Ų | 146.1 | 69% | 0.69 | 77% | 0.773 | S | S | * | * | trans | -66.3 | 80.9 | 164.9 | -88 | -69.6 | 0 | 0 | 0 | 108.5 | M45 L49 | M45-N47 VanDerWaalsContact C-N 3.31Å; M45-N47 PolarHBondContact O-N 3.28Å; N47-L49 HydrophobicContact CB-CD1 4.18Å; N47-L49 HydrophobicContact CB-CG 4Å; N47-L49 PolarHBondContact O-N 3.38Å | ||
| 48 | L | 49.4 | Very low | 51.2 | Low | 163 Ų | 163 | 144.5 Ų | 144.5 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | trans | -71.8 | 63.1 | 156.7 | -99.9 | 127.6 | 0 | 0 | 0 | 108.2 | S46 Y50 | S46-L48 PolarHBondContact O-N 2.85Å; L48-Y50 PolarHBondContact O-N 2.69Å | ||
| 49 | L | 48.9 | Very low | 51.6 | Low | 133 Ų | 133 | 145.4 Ų | 145.4 | 70% | 0.696 | 77% | 0.769 | S | S | * | * | trans | -63.6 | 119.9 | 163.6 | -68.6 | 170.3 | 0 | 0 | 0 | 106.2 | N47 R51 | N47-L49 HydrophobicContact CB-CD1 4.18Å; N47-L49 HydrophobicContact CB-CG 4Å; N47-L49 PolarHBondContact O-N 3.38Å; L49-R51 VanDerWaalsContact C-N 3.27Å; L49-R51 PolarHBondContact O-N 3.15Å | ||
| 50 | Y | 52.7 | Low | 52.6 | Low | 227 Ų | 227 | 149.7 Ų | 149.7 | 89% | 0.89 | 78% | 0.778 | S | S | * | * | trans | -48.3 | 92.2 | 167 | -125.5 | -100 | 0 | 0 | 0 | 108.8 | L48 I52 | L48-Y50 PolarHBondContact O-N 2.69Å; Y50-I52 PolarHBondContact O-N 3.36Å | ||
| 51 | R | 52.5 | Low | 53.1 | Low | 235 Ų | 235 | 149.8 Ų | 149.8 | 89% | 0.887 | 78% | 0.775 | S | S | * | * | trans | -76 | 94 | 176.4 | -172.9 | -178 | -170.2 | -165.7 | 3.6 | 106.8 | L49 P53 | L49-R51 VanDerWaalsContact C-N 3.27Å; L49-R51 PolarHBondContact O-N 3.15Å; R51-P53 VanDerWaalsContact O-CD 3.26Å; R51-P53 WeakPolarHBondContact O-CD 3.16Å | ||
| 52 | I | 58.9 | Low | 53.5 | Low | 131 Ų | 131 | 148.5 Ų | 148.5 | 67% | 0.672 | 78% | 0.778 | S | S | * | * | trans | -60.6 | 117.4 | 171 | -58.4 | 170 | 0 | 0 | 0 | 107.2 | Y50 T54 | Y50-I52 PolarHBondContact O-N 3.36Å; I52-T54 PolarHBondContact O-N 3.45Å | ||
| 53 | P | 61.1 | Low | 53.7 | Low | 121 Ų | 121 | 142 Ų | 142 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | trans | -71 | 105.5 | 175.3 | 27.7 | -30.9 | 0 | 0 | 0 | 108.6 | R51 C55 | R51-P53 VanDerWaalsContact O-CD 3.26Å; R51-P53 WeakPolarHBondContact O-CD 3.16Å; P53-C55 PolarHBondContact O-N 3Å | ||
| 54 | T | 56.7 | Low | 54.1 | Low | 124 Ų | 124 | 143.9 Ų | 143.9 | 76% | 0.761 | 79% | 0.785 | S | S | * | * | trans | -73.9 | 114 | 168.7 | 55.8 | 0 | 0 | 0 | 0 | 108.3 | I52 G56 | I52-T54 PolarHBondContact O-N 3.45Å; T54-G56 PolarHBondContact O-N 2.98Å | ||
| 55 | C | 57.1 | Low | 53.9 | Low | 114 Ų | 114 | 141.8 Ų | 141.8 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | trans | -59.9 | 104 | 172.6 | -178.3 | 0 | 0 | 0 | 0 | 109.5 | P53 Y57 | P53-C55 PolarHBondContact O-N 3Å; C55-Y57 PolarHBondContact O-N 2.93Å; C55-Y57 VanDerWaalsContact SG-CB 3.6Å | ||
| 56 | G | 60.1 | Low | 53.9 | Low | 71 Ų | 71 | 147.1 Ų | 147.1 | 73% | 0.732 | 80% | 0.803 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | 20.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | T54 A58 | T54-G56 PolarHBondContact O-N 2.98Å; G56-A58 PolarHBondContact O-N 3.4Å |
| 57 | Y | 58.8 | Low | 53.8 | Low | 215 Ų | 215 | 146.4 Ų | 146.4 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | -18 | -173 | -174.5 | -100.3 | 0 | 0 | 0 | 113.7 | C55 K59 | C55-Y57 PolarHBondContact O-N 2.93Å; C55-Y57 VanDerWaalsContact SG-CB 3.6Å; Y57-K59 PolarHBondContact O-N 3.3Å |
| 58 | A | 59.9 | Low | 53.4 | Low | 96 Ų | 96 | 150.2 Ų | 150.2 | 79% | 0.793 | 82% | 0.82 | S | S | * | * | trans | -98.7 | 58.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | G56 K60 | G56-A58 PolarHBondContact O-N 3.4Å; A58-K60 PolarHBondContact O-N 3.34Å | ||
| 59 | K | 62 | Low | 53.5 | Low | 189 Ų | 189 | 146.1 Ų | 146.1 | 82% | 0.822 | 82% | 0.817 | S | S | * | * | trans | -80.6 | 108.1 | 159.8 | -170.5 | 164.8 | -173.7 | 171.2 | 0 | 107.9 | Y57 V61 | Y57-K59 PolarHBondContact O-N 3.3Å; K59-V61 PolarHBondContact O-N 3.26Å | ||
| 60 | K | 63 | Low | 53.2 | Low | 205 Ų | 205 | 147.9 Ų | 147.9 | 89% | 0.891 | 82% | 0.823 | S | S | * | * | trans | -60 | 109.9 | 171.8 | -74.9 | -170.5 | 178.7 | -175.3 | 0 | 108.7 | A58 A62 | A58-K60 PolarHBondContact O-N 3.34Å; K60-A62 PolarHBondContact O-N 2.99Å | ||
| 61 | V | 55.3 | Low | 53.3 | Low | 135 Ų | 135 | 143.1 Ų | 143.1 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | -68.1 | 125.1 | 167.9 | -68.8 | 0 | 0 | 0 | 0 | 108.1 | K59 A63 | K59-V61 PolarHBondContact O-N 3.26Å; V61-A63 PolarHBondContact O-N 2.89Å; V61-A63 VanDerWaalsContact O-N 3.14Å | ||
| 62 | A | 49.2 | Very low | 53.7 | Low | 97 Ų | 97 | 140.3 Ų | 140.3 | 80% | 0.802 | 81% | 0.812 | S | S | * | * | trans | -59.1 | 117 | 173.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | K60 K64 | K60-A62 PolarHBondContact O-N 2.99Å; A62-K64 PolarHBondContact O-N 3.38Å | ||
| 63 | A | 52.7 | Low | 53.9 | Low | 109 Ų | 109 | 140.5 Ų | 140.5 | 90% | 0.901 | 81% | 0.814 | S | S | * | * | trans | -64.8 | 104.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | V61 | V61-A63 PolarHBondContact O-N 2.89Å; V61-A63 VanDerWaalsContact O-N 3.14Å | ||
| 64 | K | 46.8 | Very low | 54 | Low | 210 Ų | 210 | 140.5 Ų | 140.5 | 91% | 0.913 | 81% | 0.812 | S | S | * | * | trans | -137 | 103.8 | 164.9 | -154.3 | 178.9 | -171.7 | 179.6 | 0 | 107.9 | A62 | A62-K64 PolarHBondContact O-N 3.38Š| ||
| 65 | G | 41.8 | Very low | 54.5 | Low | 73 Ų | 73 | 142.4 Ų | 142.4 | 75% | 0.753 | 82% | 0.816 | S | S | * | * | trans | 160.2 | 94.9 | 172 | 0 | 0 | 0 | 0 | 0 | 113.2 | G67 | G65-G67 PolarHBondContact O-N 3.02Š| ||
| 66 | K | 47.2 | Very low | 55.2 | Low | 227 Ų | 227 | 145.4 Ų | 145.4 | 99% | 0.987 | 82% | 0.816 | S | S | * | * | trans | -51 | 119 | 159.8 | -79.5 | 178.6 | 171.9 | 178.6 | 0 | 108.9 | ||||
| 67 | G | 43.7 | Very low | 55.8 | Low | 71 Ų | 71 | 144.6 Ų | 144.6 | 73% | 0.732 | 81% | 0.808 | S | S | * | * | trans | -128.6 | 130.4 | 171 | 0 | 0 | 0 | 0 | 0 | 108.9 | G65 | G65-G67 PolarHBondContact O-N 3.02Š| ||
| 68 | K | 44.3 | Very low | 56.6 | Low | 209 Ų | 209 | 140.3 Ų | 140.3 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | trans | -52.7 | 148.1 | -167.6 | -68.7 | 168.3 | 172.6 | 177.5 | 0 | 113.3 | M70 | K68-M70 PolarHBondContact O-N 3.39Š| ||
| 69 | G | 51.5 | Low | 57.4 | Low | 77 Ų | 77 | 144.5 Ų | 144.5 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | trans | -46.3 | 108.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | V71 | G69-V71 PolarHBondContact O-N 2.85Å; G69-V71 VanDerWaalsContact O-N 3.14Å | ||
| 70 | M | 43.3 | Very low | 58.4 | Low | 170 Ų | 170 | 141.4 Ų | 141.4 | 84% | 0.837 | 81% | 0.806 | S | S | * | * | trans | -67.9 | 105.1 | 157.8 | -170.5 | 163 | 74.6 | 0 | 0 | 104.8 | K68 K72 | K68-M70 PolarHBondContact O-N 3.39Å; M70-K72 PolarHBondContact O-N 3.37Å | ||
| 71 | V | 54.5 | Low | 59.2 | Low | 127 Ų | 127 | 133 Ų | 133 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | trans | -53.4 | 104.2 | 160.9 | 173.3 | 0 | 0 | 0 | 0 | 104.1 | G69 D73 | G69-V71 PolarHBondContact O-N 2.85Å; G69-V71 VanDerWaalsContact O-N 3.14Å; V71-D73 PolarHBondContact O-N 3.15Å | ||
| 72 | K | 61.1 | Low | 60.7 | Low | 175 Ų | 175 | 135.4 Ų | 135.4 | 76% | 0.761 | 77% | 0.772 | S | S | * | * | trans | -68.4 | 91.2 | 174.4 | -166.8 | -177.9 | -174.4 | -176.4 | 0 | 103.1 | M70 V74 | M70-K72 PolarHBondContact O-N 3.37Å; K72-V74 VanDerWaalsContact C-N 3.31Å; K72-V74 PolarHBondContact O-N 3.26Å | ||
| 73 | D | 61.6 | Low | 62.7 | Low | 135 Ų | 135 | 135.5 Ų | 135.5 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | trans | -52.2 | 107.3 | 172.8 | -145.3 | -2.5 | 0 | 0 | 0 | 104.6 | V71 L75 | V71-D73 PolarHBondContact O-N 3.15Å; D73-L75 PolarHBondContact O-N 3.33Å | ||
| 74 | V | 63.1 | Low | 64.5 | Low | 121 Ų | 121 | 134.8 Ų | 134.8 | 73% | 0.733 | 75% | 0.745 | S | S | * | * | trans | -69.4 | 98.4 | -174.8 | 173.4 | 0 | 0 | 0 | 0 | 103.3 | K72 K76 | K72-V74 VanDerWaalsContact C-N 3.31Å; K72-V74 PolarHBondContact O-N 3.26Å; V74-K76 PolarHBondContact O-N 3.49Å | ||
| 75 | L | 67.6 | Low | 66.6 | Low | 164 Ų | 164 | 130.4 Ų | 130.4 | 86% | 0.859 | 74% | 0.736 | S | S | * | * | trans | -57.2 | 91 | 175.4 | -64.4 | 177.5 | 0 | 0 | 0 | 107 | D73 G77 | D73-L75 PolarHBondContact O-N 3.33Å; L75-G77 PolarHBondContact O-N 3.15Å | ||
| 76 | K | 71.8 | Confident | 68.9 | Low | 178 Ų | 178 | 131.5 Ų | 131.5 | 77% | 0.774 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 117.9 | 178.8 | -150.6 | 167.8 | 55.3 | 174 | 0 | 104.4 | V74 | V74-K76 PolarHBondContact O-N 3.49Š|
| 77 | G | 72.7 | Confident | 71 | Confident | 54 Ų | 54 | 124.8 Ų | 124.8 | 56% | 0.557 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 155.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | L75 | L75-G77 PolarHBondContact O-N 3.15Š|
| 78 | P | 76 | Confident | 73.3 | Confident | 124 Ų | 124 | 126.8 Ų | 126.8 | 81% | 0.805 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -54 | 144.3 | 176.4 | 23.4 | -32.6 | 0 | 0 | 0 | 110.5 | V80 | P78-V80 PolarHBondContact O-N 3.28Š|
| 79 | E | 76.8 | Confident | 75.6 | Confident | 185 Ų | 185 | 119 Ų | 119 | 86% | 0.864 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 124.8 | -178 | -65.1 | -169.2 | 168.6 | 0 | 0 | 110.4 | ||
| 80 | V | 81.9 | Confident | 77.6 | Confident | 123 Ų | 123 | 118.8 Ų | 118.8 | 75% | 0.745 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 129.3 | -179.3 | -177.7 | 0 | 0 | 0 | 0 | 109.1 | P78 | P78-V80 PolarHBondContact O-N 3.28Š|
| 81 | C | 80.4 | Confident | 79.9 | Confident | 29 Ų | 29 | 112 Ų | 112 | 20% | 0.196 | 61% | 0.613 | C | S | . | * | P | Polyproline II helix | trans | -64.3 | 136 | 174.1 | -178 | 0 | 0 | 0 | 0 | 110.7 | D83 V92 | C81-D83 PolarHBondContact SG-OD2 3.04Å; C81-V92 HydrophobicContact CB-CG1 4.06Å |
| 82 | K | 87.2 | Confident | 81.7 | Confident | 185 Ų | 185 | 108.3 Ų | 108.3 | 80% | 0.804 | 59% | 0.591 | S | S | * | * | trans | -108.4 | 3.5 | -178.8 | -62.1 | -179.4 | -176.9 | 176.1 | 0 | 113.3 | ||||
| 83 | D | 90.8 | Very high | 83 | Confident | 100 Ų | 100 | 102.9 Ų | 102.9 | 54% | 0.535 | 59% | 0.585 | S | S | . | * | trans | -81.4 | 118.8 | -174.8 | -57.4 | -40.2 | 0 | 0 | 0 | 110.5 | C81 V85 K86 L87 | C81-D83 PolarHBondContact SG-OD2 3.04Å; D83-V85 VanDerWaalsContact C-N 3.33Å; D83-V85 PolarHBondContact O-N 3.46Å; D83-K86 HydrophobicContact CB-CB 4.19Å; D83-K86 PolarHBondContact O-N 2.99Å; D83-L87 WeakPolarHBondContact O-CG 3.34Å; D83-L87 PolarHBondContact O-N 3.14Å; D83-L87 VanDerWaalsContact O-N 3.15Å | ||
| 84 | P | 90.8 | Very high | 84.5 | Confident | 93 Ų | 93 | 100.8 Ų | 100.8 | 60% | 0.604 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -66.2 | -34.8 | -171.5 | 25.2 | -34.2 | 0 | 0 | 0 | 112.9 | L87 T88 | P84-L87 PolarHBondContact O-N 3.42Å; P84-T88 PolarHBondContact O-N 3.42Å; P84-T88 VanDerWaalsContact O-N 3.15Å; P84-T88 PolarHBondContact O-OG1 3.21Å |
| 85 | V | 91.3 | Very high | 85.8 | Confident | 118 Ų | 118 | 97.1 Ų | 97.1 | 72% | 0.715 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66 | -41.4 | 179.4 | -179.5 | 0 | 0 | 0 | 0 | 110.7 | D83 T88 S89 | D83-V85 VanDerWaalsContact C-N 3.33Å; D83-V85 PolarHBondContact O-N 3.46Å; V85-T88 PolarHBondContact O-N 3.49Å; V85-S89 WeakPolarHBondContact O-CB 3.4Å; V85-S89 PolarHBondContact O-N 3.06Å; V85-S89 VanDerWaalsContact O-N 3.15Å; V85-S89 PolarHBondContact O-OG 3.23Å |
| 86 | K | 88.8 | Confident | 87 | Confident | 97 Ų | 97 | 96.3 Ų | 96.3 | 42% | 0.422 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -69.7 | -40.5 | 179.9 | -167.4 | 171.5 | 178.4 | 175.5 | 0 | 111.4 | D83 T88 S89 H90 V92 | D83-K86 HydrophobicContact CB-CB 4.19Å; D83-K86 PolarHBondContact O-N 2.99Å; K86-T88 VanDerWaalsContact C-N 3.28Å; K86-T88 PolarHBondContact O-N 3.49Å; K86-S89 PolarHBondContact O-N 3.21Å; K86-S89 PolarHBondContact O-OG 3.19Å; K86-H90 PolarHBondContact O-N 3.24Å; K86-V92 HydrophobicContact CD-CG2 4.39Å; K86-V92 HydrophobicContact CG-CG2 3.9Å |
| 87 | L | 91.7 | Very high | 87.9 | Confident | 86 Ų | 86 | 95 Ų | 95 | 45% | 0.45 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.6 | -28.3 | 177.7 | -67.4 | 173.3 | 0 | 0 | 0 | 113.7 | D83 P84 V92 | D83-L87 WeakPolarHBondContact O-CG 3.34Å; D83-L87 PolarHBondContact O-N 3.14Å; D83-L87 VanDerWaalsContact O-N 3.15Å; P84-L87 PolarHBondContact O-N 3.42Å; L87-V92 HydrophobicContact CD2-CB 4.28Å; L87-V92 HydrophobicContact CD2-CG2 4.14Å |
| 88 | T | 91.6 | Very high | 88.7 | Confident | 113 Ų | 113 | 102.2 Ų | 102.2 | 69% | 0.693 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -87.6 | -26 | 179.5 | -49.9 | 0 | 0 | 0 | 0 | 112.6 | P84 V85 K86 L105 | P84-T88 PolarHBondContact O-N 3.42Å; P84-T88 VanDerWaalsContact O-N 3.15Å; P84-T88 PolarHBondContact O-OG1 3.21Å; V85-T88 PolarHBondContact O-N 3.49Å; K86-T88 VanDerWaalsContact C-N 3.28Å; K86-T88 PolarHBondContact O-N 3.49Å; T88-L105 WeakPolarHBondContact O-CD1 3.47Å |
| 89 | S | 92.8 | Very high | 89.3 | Confident | 46 Ų | 46 | 103.6 Ų | 103.6 | 32% | 0.322 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -96.9 | -31.6 | -176 | 53.7 | 0 | 0 | 0 | 0 | 113.6 | V85 K86 L105 | V85-S89 WeakPolarHBondContact O-CB 3.4Å; V85-S89 PolarHBondContact O-N 3.06Å; V85-S89 VanDerWaalsContact O-N 3.15Å; V85-S89 PolarHBondContact O-OG 3.23Å; K86-S89 PolarHBondContact O-N 3.21Å; K86-S89 PolarHBondContact O-OG 3.19Å; S89-L105 PolarHBondContact O-N 3.37Å |
| 90 | H | 93.5 | Very high | 89.9 | Confident | 71 Ų | 71 | 97.6 Ų | 97.6 | 33% | 0.329 | 54% | 0.543 | S | S | . | . | B | Isolated β-bridge | trans | -128.3 | 146.8 | -174.3 | -64.9 | 74.6 | 0 | 0 | 0 | 110.8 | K86 V92 | K86-H90 PolarHBondContact O-N 3.24Å; H90-V92 VanDerWaalsContact C-N 3.29Å; H90-V92 PolarHBondContact O-N 3.23Å |
| 91 | A | 92.3 | Very high | 90.2 | Very high | 27 Ų | 27 | 99.1 Ų | 99.1 | 22% | 0.223 | 55% | 0.547 | C | S | . | . | trans | -81.8 | 78.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | G93 V94 P103 L105 | A91-G93 PolarHBondContact O-N 3.08Å; A91-V94 HydrophobicContact CB-CB 4.41Å; A91-V94 HydrophobicContact CB-CG2 3.59Å; A91-V94 WeakPolarHBondContact O-CB 3.12Å; A91-V94 VanDerWaalsContact O-CG2 3.31Å; A91-V94 WeakPolarHBondContact O-CG2 3.26Å; A91-V94 PolarHBondContact O-N 3.05Å; A91-P103 HydrophobicContact CB-CG 4.48Å; A91-P103 PolarHBondContact N-O 3.44Å; A91-L105 HydrophobicContact CB-CD2 4.03Å | ||
| 92 | V | 91.9 | Very high | 90.8 | Very high | 50 Ų | 50 | 99.5 Ų | 99.5 | 30% | 0.303 | 55% | 0.547 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | 130.1 | -175.9 | -176.4 | 0 | 0 | 0 | 0 | 111.1 | C81 K86 L87 H90 D102 | C81-V92 HydrophobicContact CB-CG1 4.06Å; K86-V92 HydrophobicContact CD-CG2 4.39Å; K86-V92 HydrophobicContact CG-CG2 3.9Å; L87-V92 HydrophobicContact CD2-CB 4.28Å; L87-V92 HydrophobicContact CD2-CG2 4.14Å; H90-V92 VanDerWaalsContact C-N 3.29Å; H90-V92 PolarHBondContact O-N 3.23Å; V92-D102 WeakPolarHBondContact CA-OD2 3.37Å |
| 93 | G | 88.8 | Confident | 91.1 | Very high | 62 Ų | 62 | 93.9 Ų | 93.9 | 64% | 0.639 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.1 | 10.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | A91 D102 | A91-G93 PolarHBondContact O-N 3.08Å; G93-D102 PolarHBondContact N-OD1 2.81Å; G93-D102 PolarHBondContact N-OD2 3.5Å |
| 94 | V | 92.1 | Very high | 91.3 | Very high | 91 Ų | 91 | 91.9 Ų | 91.9 | 55% | 0.552 | 53% | 0.527 | S | S | * | . | trans | -81.3 | -35.1 | 171.9 | 173.8 | 0 | 0 | 0 | 0 | 110.7 | A91 I96 D102 P103 | A91-V94 HydrophobicContact CB-CB 4.41Å; A91-V94 HydrophobicContact CB-CG2 3.59Å; A91-V94 WeakPolarHBondContact O-CB 3.12Å; A91-V94 VanDerWaalsContact O-CG2 3.31Å; A91-V94 WeakPolarHBondContact O-CG2 3.26Å; A91-V94 PolarHBondContact O-N 3.05Å; V94-I96 PolarHBondContact O-N 3.23Å; V94-D102 PolarHBondContact N-OD1 3.02Å; V94-P103 HydrophobicContact CB-CG 4.2Å; V94-P103 HydrophobicContact CG1-CG 3.98Å | ||
| 95 | N | 92.2 | Very high | 91.4 | Very high | 43 Ų | 43 | 91.8 Ų | 91.8 | 23% | 0.23 | 52% | 0.52 | C | S | . | . | trans | -77.6 | 116.8 | 177 | -173.7 | 20.8 | 0 | 0 | 0 | 111.3 | F97 G100 D102 | N95-F97 WeakPolarHBondContact OD1-CB 3.45Å; N95-F97 VanDerWaalsContact OD1-CD2 3.31Å; N95-F97 WeakPolarHBondContact OD1-CD2 3.41Å; N95-F97 PolarHBondContact OD1-N 2.89Å; N95-G100 PolarHBondContact ND2-O 3.38Å; N95-D102 WeakPolarHBondContact CB-OD1 3.31Å; N95-D102 PolarHBondContact N-OD1 3.13Å | ||
| 96 | I | 91.3 | Very high | 91.6 | Very high | 148 Ų | 148 | 91.3 Ų | 91.3 | 76% | 0.759 | 51% | 0.509 | S | S | * | . | trans | -93.7 | -9.7 | 176.1 | 61.8 | 169.4 | 0 | 0 | 0 | 113.3 | V94 | V94-I96 PolarHBondContact O-N 3.23Š| ||
| 97 | F | 91.9 | Very high | 91.9 | Very high | 150 Ų | 150 | 90.3 Ų | 90.3 | 66% | 0.658 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -81 | 149.7 | -178.4 | -59.5 | -71.5 | 0 | 0 | 0 | 110.9 | N95 Q99 | N95-F97 WeakPolarHBondContact OD1-CB 3.45Å; N95-F97 VanDerWaalsContact OD1-CD2 3.31Å; N95-F97 WeakPolarHBondContact OD1-CD2 3.41Å; N95-F97 PolarHBondContact OD1-N 2.89Å; F97-Q99 WeakPolarHBondContact CB-O 3.41Å; F97-Q99 PolarHBondContact O-N 3.23Å |
| 98 | K | 88.2 | Confident | 92 | Very high | 206 Ų | 206 | 89.8 Ų | 89.8 | 90% | 0.896 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -68.8 | -24.7 | 177 | -65.3 | -177.3 | -179.8 | -178.9 | 0 | 112.7 | ||
| 99 | Q | 90.1 | Very high | 92.1 | Very high | 153 Ų | 153 | 92.7 Ų | 92.7 | 72% | 0.715 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -113.9 | 143.2 | 177.1 | -63.3 | 85 | 9.7 | 0 | 0 | 109 | F97 | F97-Q99 WeakPolarHBondContact CB-O 3.41Å; F97-Q99 PolarHBondContact O-N 3.23Å |
| 100 | G | 88.3 | Confident | 92.3 | Very high | 59 Ų | 59 | 95.7 Ų | 95.7 | 61% | 0.608 | 53% | 0.529 | S | S | * | . | S | Bend | trans | 105.3 | 158.5 | -178 | 0 | 0 | 0 | 0 | 0 | 112.4 | N95 | N95-G100 PolarHBondContact ND2-O 3.38Š|
| 101 | D | 89.1 | Confident | 92.5 | Very high | 155 Ų | 155 | 96.1 Ų | 96.1 | 83% | 0.829 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -102.6 | 160.1 | 179.8 | -67.4 | -52.8 | 0 | 0 | 0 | 111.3 | ||
| 102 | D | 92.2 | Very high | 92.7 | Very high | 37 Ų | 37 | 97.9 Ų | 97.9 | 20% | 0.198 | 54% | 0.537 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 139.2 | 173.2 | -76.1 | -49.8 | 0 | 0 | 0 | 110.7 | V92 G93 V94 N95 | V92-D102 WeakPolarHBondContact CA-OD2 3.37Å; G93-D102 PolarHBondContact N-OD1 2.81Å; G93-D102 PolarHBondContact N-OD2 3.5Å; V94-D102 PolarHBondContact N-OD1 3.02Å; N95-D102 WeakPolarHBondContact CB-OD1 3.31Å; N95-D102 PolarHBondContact N-OD1 3.13Å |
| 103 | P | 92.9 | Very high | 92.9 | Very high | 67 Ų | 67 | 101.3 Ų | 101.3 | 44% | 0.435 | 55% | 0.55 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 139.8 | 179.6 | 27 | -33.2 | 0 | 0 | 0 | 111.8 | A91 V94 | A91-P103 HydrophobicContact CB-CG 4.48Å; A91-P103 PolarHBondContact N-O 3.44Å; V94-P103 HydrophobicContact CB-CG 4.2Å; V94-P103 HydrophobicContact CG1-CG 3.98Å |
| 104 | A | 94.8 | Very high | 93.2 | Very high | 58 Ų | 58 | 105.9 Ų | 105.9 | 48% | 0.479 | 55% | 0.548 | S | S | . | . | B | Isolated β-bridge | trans | -70.6 | 145.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 105 | L | 94.4 | Very high | 93.4 | Very high | 90 Ų | 90 | 104.9 Ų | 104.9 | 47% | 0.471 | 54% | 0.539 | S | S | . | . | P | Polyproline II helix | trans | -73 | 131.3 | 174.1 | -68 | 176 | 0 | 0 | 0 | 109.9 | T88 S89 A91 | T88-L105 WeakPolarHBondContact O-CD1 3.47Å; S89-L105 PolarHBondContact O-N 3.37Å; A91-L105 HydrophobicContact CB-CD2 4.03Å |
| 106 | K | 94.7 | Very high | 93.5 | Very high | 108 Ų | 108 | 109.1 Ų | 109.1 | 47% | 0.47 | 56% | 0.555 | S | S | . | * | P | Polyproline II helix | trans | -86.1 | 162.2 | -178.6 | -72.5 | 164.7 | 161 | -161.3 | 0 | 110.8 | E110 Y111 | K106-E110 HydrophobicContact CB-CB 4.18Å; K106-E110 WeakPolarHBondContact CB-OE2 3.45Å; K106-E110 HydrophobicContact CD-CG 4.23Å; K106-E110 WeakPolarHBondContact CD-OE1 3.47Å; K106-E110 WeakPolarHBondContact CD-OE2 3.37Å; K106-E110 WeakPolarHBondContact CE-OE1 3.31Å; K106-E110 WeakPolarHBondContact CE-OE2 3.24Å; K106-E110 WeakPolarHBondContact CG-OE2 3.4Å; K106-E110 IonicContact NZ-OE1 2.64Å; K106-E110 PolarHBondContact NZ-OE1 3.24Å; K106-E110 IonicContact NZ-OE2 3.9Å; K106-Y111 HydrophobicContact CB-CE2 3.77Å; K106-Y111 PolarHBondContact N-OH 2.98Å; K106-Y111 WeakPolarHBondContact O-CE2 3.45Å |
| 107 | P | 95.6 | Very high | 93.6 | Very high | 77 Ų | 77 | 110 Ų | 110 | 50% | 0.5 | 55% | 0.549 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 154.8 | 170.3 | 27.3 | -34.9 | 0 | 0 | 0 | 111.1 | E109 E110 Y111 | P107-E109 PolarHBondContact O-N 3.1Å; P107-E109 VanDerWaalsContact O-N 3.16Å; P107-E110 HydrophobicContact CG-CB 4.5Å; P107-E110 PolarHBondContact O-N 3.35Å; P107-E110 VanDerWaalsContact O-N 3.12Å; P107-Y111 WeakPolarHBondContact O-CD2 3.24Å |
| 108 | P | 93.3 | Very high | 93.7 | Very high | 74 Ų | 74 | 107.3 Ų | 107.3 | 48% | 0.481 | 54% | 0.541 | S | S | . | . | G | 310 helix | trans | -58.2 | -30.8 | -176.7 | 23.2 | -33.9 | 0 | 0 | 0 | 113.5 | E110 Y111 F116 | P108-E110 PolarHBondContact O-N 3.29Å; P108-Y111 PolarHBondContact O-N 2.92Å; P108-Y111 VanDerWaalsContact O-N 3.08Å; P108-F116 HydrophobicContact CB-CE2 4.4Å; P108-F116 HydrophobicContact CB-CZ 3.87Å |
| 109 | E | 94.8 | Very high | 93.9 | Very high | 174 Ų | 174 | 103.4 Ų | 103.4 | 81% | 0.813 | 53% | 0.526 | S | S | * | . | G | 310 helix | trans | -64.8 | -24.4 | -179.9 | -51.3 | -51.6 | 145.8 | 0 | 0 | 113.9 | P107 Y111 | P107-E109 PolarHBondContact O-N 3.1Å; P107-E109 VanDerWaalsContact O-N 3.16Å; E109-Y111 VanDerWaalsContact C-N 3.3Å |
| 110 | E | 96.4 | Very high | 94.1 | Very high | 110 Ų | 110 | 104.1 Ų | 104.1 | 51% | 0.514 | 53% | 0.534 | S | S | . | . | G | 310 helix | trans | -81.1 | -16.9 | 177.8 | -160 | 176.5 | 165.4 | 0 | 0 | 111.8 | K106 P107 P108 | K106-E110 HydrophobicContact CB-CB 4.18Å; K106-E110 WeakPolarHBondContact CB-OE2 3.45Å; K106-E110 HydrophobicContact CD-CG 4.23Å; K106-E110 WeakPolarHBondContact CD-OE1 3.47Å; K106-E110 WeakPolarHBondContact CD-OE2 3.37Å; K106-E110 WeakPolarHBondContact CE-OE1 3.31Å; K106-E110 WeakPolarHBondContact CE-OE2 3.24Å; K106-E110 WeakPolarHBondContact CG-OE2 3.4Å; K106-E110 IonicContact NZ-OE1 2.64Å; K106-E110 PolarHBondContact NZ-OE1 3.24Å; K106-E110 IonicContact NZ-OE2 3.9Å; P107-E110 HydrophobicContact CG-CB 4.5Å; P107-E110 PolarHBondContact O-N 3.35Å; P107-E110 VanDerWaalsContact O-N 3.12Å; P108-E110 PolarHBondContact O-N 3.29Å |
| 111 | Y | 96.4 | Very high | 94.2 | Very high | 79 Ų | 79 | 103.8 Ų | 103.8 | 31% | 0.31 | 53% | 0.531 | S | S | . | . | S | Bend | trans | -88.6 | 142.4 | 177.5 | -65.6 | -71.4 | 0 | 0 | 0 | 111 | K106 P107 P108 E109 L115 | K106-Y111 HydrophobicContact CB-CE2 3.77Å; K106-Y111 PolarHBondContact N-OH 2.98Å; K106-Y111 WeakPolarHBondContact O-CE2 3.45Å; P107-Y111 WeakPolarHBondContact O-CD2 3.24Å; P108-Y111 PolarHBondContact O-N 2.92Å; P108-Y111 VanDerWaalsContact O-N 3.08Å; E109-Y111 VanDerWaalsContact C-N 3.3Å; Y111-L115 HydrophobicContact CD1-CD2 4.29Å; Y111-L115 HydrophobicContact CG-CD2 4.18Å |
| 112 | P | 96.8 | Very high | 94.4 | Very high | 64 Ų | 64 | 102 Ų | 102 | 42% | 0.416 | 53% | 0.527 | S | S | . | . | trans | -67.6 | 143.5 | -179.3 | 29.6 | -36.1 | 0 | 0 | 0 | 111.3 | W114 L115 | P112-W114 HydrophobicContact CG-CZ2 4.1Å; P112-W114 VanDerWaalsContact CG-NE1 3.28Å; P112-W114 PolarHBondContact O-N 3.35Å; P112-W114 VanDerWaalsContact O-N 3.12Å; P112-L115 VanDerWaalsContact O-CB 3.26Å; P112-L115 WeakPolarHBondContact O-CB 3.36Å; P112-L115 PolarHBondContact O-N 2.94Å | ||
| 113 | E | 96.1 | Very high | 94.3 | Very high | 123 Ų | 123 | 105.9 Ų | 105.9 | 58% | 0.575 | 55% | 0.554 | S | S | * | * | G | 310 helix | trans | -58.9 | -32.2 | -172 | -162 | -166.9 | 159.9 | 0 | 0 | 114 | L115 F116 R117 | E113-L115 PolarHBondContact O-N 3.44Å; E113-L115 VanDerWaalsContact O-N 3.08Å; E113-F116 PolarHBondContact O-N 3.46Å; E113-F116 VanDerWaalsContact O-N 3.07Å; E113-R117 VanDerWaalsContact CD-CZ 3.4Å; E113-R117 PolarHBondContact O-N 2.91Å; E113-R117 IonicContact OE1-CZ 3.16Å; E113-R117 IonicContact OE1-NE 2.99Å; E113-R117 PolarHBondContact OE1-NE 3.3Å; E113-R117 IonicContact OE1-NH2 2.64Å; E113-R117 PolarHBondContact OE1-NH2 3.06Å; E113-R117 IonicContact OE2-CZ 3.45Å; E113-R117 IonicContact OE2-NE 3.87Å; E113-R117 IonicContact OE2-NH2 2.76Å; E113-R117 PolarHBondContact OE2-NH2 3.02Å |
| 114 | W | 96 | Very high | 94.2 | Very high | 158 Ų | 158 | 107 Ų | 107 | 60% | 0.598 | 55% | 0.553 | S | S | * | * | G | 310 helix | trans | -59.1 | -25.1 | 180 | 67.6 | -101.9 | 0 | 0 | 0 | 112.8 | P112 F116 R117 L118 | P112-W114 HydrophobicContact CG-CZ2 4.1Å; P112-W114 VanDerWaalsContact CG-NE1 3.28Å; P112-W114 PolarHBondContact O-N 3.35Å; P112-W114 VanDerWaalsContact O-N 3.12Å; W114-F116 VanDerWaalsContact C-N 3.3Å; W114-F116 PolarHBondContact O-N 3.3Å; W114-R117 PolarHBondContact O-N 3.43Å; W114-L118 HydrophobicContact CE3-CD1 4.43Å; W114-L118 HydrophobicContact CE3-CD2 4.29Å; W114-L118 HydrophobicContact CE3-CG 4.41Å; W114-L118 HydrophobicContact CZ3-CD1 4.08Å; W114-L118 HydrophobicContact CZ3-CD2 4.46Å |
| 115 | L | 95.2 | Very high | 93.9 | Very high | 69 Ų | 69 | 108.9 Ų | 108.9 | 36% | 0.361 | 55% | 0.554 | S | S | . | * | G | 310 helix | trans | -60.6 | -41.3 | 177.4 | -178.7 | 63 | 0 | 0 | 0 | 111.4 | Y111 P112 E113 R117 L118 | Y111-L115 HydrophobicContact CD1-CD2 4.29Å; Y111-L115 HydrophobicContact CG-CD2 4.18Å; P112-L115 VanDerWaalsContact O-CB 3.26Å; P112-L115 WeakPolarHBondContact O-CB 3.36Å; P112-L115 PolarHBondContact O-N 2.94Å; E113-L115 PolarHBondContact O-N 3.44Å; E113-L115 VanDerWaalsContact O-N 3.08Å; L115-R117 VanDerWaalsContact C-N 3.32Å; L115-L118 HydrophobicContact CD1-CD1 4.15Å; L115-L118 WeakPolarHBondContact O-CG 3.4Å |
| 116 | F | 94.3 | Very high | 93.8 | Very high | 132 Ų | 132 | 106 Ų | 106 | 58% | 0.579 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -12.2 | -178.5 | -58.9 | -72 | 0 | 0 | 0 | 113.2 | P108 E113 W114 | P108-F116 HydrophobicContact CB-CE2 4.4Å; P108-F116 HydrophobicContact CB-CZ 3.87Å; E113-F116 PolarHBondContact O-N 3.46Å; E113-F116 VanDerWaalsContact O-N 3.07Å; W114-F116 VanDerWaalsContact C-N 3.3Å; W114-F116 PolarHBondContact O-N 3.3Å |
| 117 | R | 94.4 | Very high | 93.5 | Very high | 168 Ų | 168 | 109.6 Ų | 109.6 | 63% | 0.634 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -2.1 | 175.8 | -61.3 | 177.9 | -176.1 | 176.7 | -4.7 | 113.1 | E113 W114 L115 | E113-R117 VanDerWaalsContact CD-CZ 3.4Å; E113-R117 PolarHBondContact O-N 2.91Å; E113-R117 IonicContact OE1-CZ 3.16Å; E113-R117 IonicContact OE1-NE 2.99Å; E113-R117 PolarHBondContact OE1-NE 3.3Å; E113-R117 IonicContact OE1-NH2 2.64Å; E113-R117 PolarHBondContact OE1-NH2 3.06Å; E113-R117 IonicContact OE2-CZ 3.45Å; E113-R117 IonicContact OE2-NE 3.87Å; E113-R117 IonicContact OE2-NH2 2.76Å; E113-R117 PolarHBondContact OE2-NH2 3.02Å; W114-R117 PolarHBondContact O-N 3.43Å; L115-R117 VanDerWaalsContact C-N 3.32Å |
| 118 | L | 93.9 | Very high | 93.2 | Very high | 92 Ų | 92 | 111.3 Ų | 111.3 | 48% | 0.482 | 56% | 0.559 | S | S | . | * | S | Bend | trans | -67.7 | 139.6 | 179.2 | -65.4 | 178 | 0 | 0 | 0 | 111.6 | W114 L115 L120 | W114-L118 HydrophobicContact CE3-CD1 4.43Å; W114-L118 HydrophobicContact CE3-CD2 4.29Å; W114-L118 HydrophobicContact CE3-CG 4.41Å; W114-L118 HydrophobicContact CZ3-CD1 4.08Å; W114-L118 HydrophobicContact CZ3-CD2 4.46Å; L115-L118 HydrophobicContact CD1-CD1 4.15Å; L115-L118 WeakPolarHBondContact O-CG 3.4Å; L118-L120 PolarHBondContact O-N 3.28Å |
| 119 | Q | 91.6 | Very high | 93.1 | Very high | 125 Ų | 125 | 108.7 Ų | 108.7 | 58% | 0.584 | 54% | 0.541 | S | S | * | . | trans | -80.4 | 105.5 | 174.7 | -67.8 | 165.9 | 45.7 | 0 | 0 | 109.6 | G121 | Q119-G121 VanDerWaalsContact C-N 3.33Š| ||
| 120 | L | 94.4 | Very high | 92.9 | Very high | 168 Ų | 168 | 107.2 Ų | 107.2 | 88% | 0.88 | 53% | 0.534 | S | S | * | . | trans | -86.7 | -6.8 | 177 | -58.3 | 178 | 0 | 0 | 0 | 113.3 | L118 | L118-L120 PolarHBondContact O-N 3.28Š| ||
| 121 | G | 92.1 | Very high | 92.6 | Very high | 52 Ų | 52 | 105.2 Ų | 105.2 | 54% | 0.536 | 53% | 0.53 | S | S | . | . | S | Bend | trans | -77.1 | -175 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q119 | Q119-G121 VanDerWaalsContact C-N 3.33Š|
| 122 | P | 92.4 | Very high | 92.4 | Very high | 116 Ų | 116 | 109.1 Ų | 109.1 | 75% | 0.753 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -57.7 | 149.7 | 171.2 | 26.6 | -34 | 0 | 0 | 0 | 110.7 | K124 | P122-K124 PolarHBondContact O-N 2.87Š|
| 123 | P | 90.7 | Very high | 92.3 | Very high | 119 Ų | 119 | 108 Ų | 108 | 77% | 0.773 | 55% | 0.55 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 140.7 | 177.4 | 27.2 | -34.4 | 0 | 0 | 0 | 110.3 | ||
| 124 | K | 90.5 | Very high | 92.1 | Very high | 92 Ų | 92 | 108.5 Ų | 108.5 | 40% | 0.4 | 55% | 0.552 | S | S | . | * | P | Polyproline II helix | trans | -59.5 | 141.1 | 177.1 | -70.1 | 176.6 | 169.3 | 172.1 | 0 | 111.5 | P122 E128 L129 | P122-K124 PolarHBondContact O-N 2.87Å; K124-E128 WeakPolarHBondContact CA-OE2 3.38Å; K124-L129 HydrophobicContact CB-CD2 4.01Å; K124-L129 HydrophobicContact CB-CG 4.14Å; K124-L129 HydrophobicContact CD-CD2 3.83Å |
| 125 | N | 88.5 | Confident | 92 | Very high | 96 Ų | 96 | 106 Ų | 106 | 51% | 0.513 | 55% | 0.547 | S | S | . | . | P | Polyproline II helix | trans | -73.9 | 159.2 | 174.2 | -65.5 | -63.8 | 0 | 0 | 0 | 110.7 | H127 E128 L129 | N125-H127 PolarHBondContact O-N 3.47Å; N125-E128 HydrophobicContact CB-CG 4.27Å; N125-E128 PolarHBondContact N-OE2 3.45Å; N125-E128 PolarHBondContact ND2-OE1 2.93Å; N125-E128 PolarHBondContact O-N 3.45Å; N125-E128 VanDerWaalsContact O-N 3.08Å; N125-L129 PolarHBondContact O-N 3.29Å |
| 126 | I | 90.9 | Very high | 92 | Very high | 31 Ų | 31 | 105.1 Ų | 105.1 | 16% | 0.159 | 54% | 0.54 | C | S | . | . | G | 310 helix | trans | -59.3 | -32.7 | 177.5 | -170.3 | 166.2 | 0 | 0 | 0 | 113 | E128 L129 Y136 V139 L140 | I126-E128 VanDerWaalsContact C-N 3.28Å; I126-E128 PolarHBondContact O-N 2.85Å; I126-L129 PolarHBondContact O-N 2.87Å; I126-Y136 HydrophobicContact CD1-CD2 4.46Å; I126-Y136 HydrophobicContact CD1-CE2 3.94Å; I126-Y136 HydrophobicContact CG1-CD2 3.73Å; I126-Y136 HydrophobicContact CG1-CE2 3.37Å; I126-V139 HydrophobicContact CB-CG1 4.05Å; I126-L140 HydrophobicContact CD1-CB 3.68Å; I126-L140 HydrophobicContact CD1-CD1 3.43Å; I126-L140 VanDerWaalsContact CD1-CD1 3.43Å; I126-L140 HydrophobicContact CD1-CG 4.13Å |
| 127 | H | 89 | Confident | 92 | Very high | 182 Ų | 182 | 105.3 Ų | 105.3 | 84% | 0.843 | 54% | 0.536 | S | S | * | . | G | 310 helix | trans | -73.1 | -18.8 | 179.3 | -61.3 | -65.7 | 0 | 0 | 0 | 113.7 | N125 | N125-H127 PolarHBondContact O-N 3.47Š|
| 128 | E | 90.3 | Very high | 92 | Very high | 114 Ų | 114 | 103.1 Ų | 103.1 | 53% | 0.533 | 53% | 0.531 | S | S | . | . | G | 310 helix | trans | -92.9 | -10.1 | 179.5 | -63.7 | 160.3 | -162 | 0 | 0 | 112 | K124 N125 I126 | K124-E128 WeakPolarHBondContact CA-OE2 3.38Å; N125-E128 HydrophobicContact CB-CG 4.27Å; N125-E128 PolarHBondContact N-OE2 3.45Å; N125-E128 PolarHBondContact ND2-OE1 2.93Å; N125-E128 PolarHBondContact O-N 3.45Å; N125-E128 VanDerWaalsContact O-N 3.08Å; I126-E128 VanDerWaalsContact C-N 3.28Å; I126-E128 PolarHBondContact O-N 2.85Å |
| 129 | L | 91.1 | Very high | 92.1 | Very high | 19 Ų | 19 | 100.7 Ų | 100.7 | 10% | 0.099 | 52% | 0.521 | C | S | . | . | S | Bend | trans | -95.3 | 141.3 | -178.4 | -69.5 | 171.4 | 0 | 0 | 0 | 110.4 | K124 N125 I126 E135 Y136 V139 | K124-L129 HydrophobicContact CB-CD2 4.01Å; K124-L129 HydrophobicContact CB-CG 4.14Å; K124-L129 HydrophobicContact CD-CD2 3.83Å; N125-L129 PolarHBondContact O-N 3.29Å; I126-L129 PolarHBondContact O-N 2.87Å; L129-E135 HydrophobicContact CD1-CB 4.5Å; L129-E135 HydrophobicContact CD2-CB 4.48Å; L129-Y136 HydrophobicContact CB-CD2 4.07Å; L129-V139 HydrophobicContact CD1-CB 4.41Å; L129-V139 HydrophobicContact CD1-CG2 3.89Å |
| 130 | E | 90.9 | Very high | 92.2 | Very high | 142 Ų | 142 | 96.3 Ų | 96.3 | 66% | 0.664 | 50% | 0.501 | S | S | * | . | trans | -64.2 | 130.9 | 173.8 | -68.3 | -59.9 | 144.1 | 0 | 0 | 110.9 | D132 S133 Y136 | E130-D132 PolarHBondContact O-N 3.47Å; E130-D132 VanDerWaalsContact O-N 3.14Å; E130-S133 WeakPolarHBondContact O-CB 3.47Å; E130-S133 PolarHBondContact O-N 2.68Å; E130-Y136 VanDerWaalsContact O-CB 3.24Å; E130-Y136 WeakPolarHBondContact O-CB 3.46Å | ||
| 131 | P | 90.1 | Very high | 92.3 | Very high | 68 Ų | 68 | 96.8 Ų | 96.8 | 44% | 0.442 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -29.6 | -176.4 | -26.8 | 34.9 | 0 | 0 | 0 | 114.8 | S133 Y136 W137 | P131-S133 VanDerWaalsContact C-N 3.34Å; P131-Y136 WeakPolarHBondContact O-CD1 3.45Å; P131-W137 PolarHBondContact O-NE1 2.75Å |
| 132 | D | 91.3 | Very high | 92.5 | Very high | 162 Ų | 162 | 100.7 Ų | 100.7 | 87% | 0.866 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -3.9 | -177.5 | -64.8 | -21.9 | 0 | 0 | 0 | 113 | E130 | E130-D132 PolarHBondContact O-N 3.47Å; E130-D132 VanDerWaalsContact O-N 3.14Å |
| 133 | S | 93.9 | Very high | 92.6 | Very high | 40 Ų | 40 | 99.8 Ų | 99.8 | 28% | 0.28 | 48% | 0.479 | S | S | . | . | S | Bend | trans | -77.4 | 142.6 | 176.8 | 179.2 | 0 | 0 | 0 | 0 | 111.9 | E130 P131 E135 Y136 W137 | E130-S133 WeakPolarHBondContact O-CB 3.47Å; E130-S133 PolarHBondContact O-N 2.68Å; P131-S133 VanDerWaalsContact C-N 3.34Å; S133-E135 PolarHBondContact O-N 3.08Å; S133-E135 PolarHBondContact OG-N 2.81Å; S133-Y136 WeakPolarHBondContact O-CB 3.36Å; S133-Y136 PolarHBondContact O-N 3.01Å; S133-W137 VanDerWaalsContact O-CD1 3.27Å |
| 134 | H | 93.5 | Very high | 92.9 | Very high | 133 Ų | 133 | 99.5 Ų | 99.5 | 62% | 0.616 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -60.4 | -29.3 | 173 | -179.9 | -138.9 | 0 | 0 | 0 | 112.9 | W137 K138 | H134-W137 PolarHBondContact O-N 3.32Å; H134-K138 WeakPolarHBondContact CE1-CE 3.41Å; H134-K138 PolarHBondContact O-N 2.86Å |
| 135 | E | 93.1 | Very high | 93.2 | Very high | 107 Ų | 107 | 100.5 Ų | 100.5 | 50% | 0.5 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.8 | -38.9 | 178.1 | -63.7 | -175.4 | 167.5 | 0 | 0 | 112.1 | L129 S133 W137 K138 V139 | L129-E135 HydrophobicContact CD1-CB 4.5Å; L129-E135 HydrophobicContact CD2-CB 4.48Å; S133-E135 PolarHBondContact O-N 3.08Å; S133-E135 PolarHBondContact OG-N 2.81Å; E135-W137 VanDerWaalsContact C-N 3.34Å; E135-W137 PolarHBondContact O-N 3.28Å; E135-K138 WeakPolarHBondContact O-CB 3.45Å; E135-K138 PolarHBondContact O-N 3.1Å; E135-V139 WeakPolarHBondContact O-CG2 3.46Å; E135-V139 PolarHBondContact O-N 3.13Å |
| 136 | Y | 95.3 | Very high | 93.6 | Very high | 50 Ų | 50 | 99.7 Ų | 99.7 | 20% | 0.196 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -56 | -49.8 | 176.2 | 174.1 | -92.1 | 0 | 0 | 0 | 111 | I126 L129 E130 P131 S133 K138 V139 L140 | I126-Y136 HydrophobicContact CD1-CD2 4.46Å; I126-Y136 HydrophobicContact CD1-CE2 3.94Å; I126-Y136 HydrophobicContact CG1-CD2 3.73Å; I126-Y136 HydrophobicContact CG1-CE2 3.37Å; L129-Y136 HydrophobicContact CB-CD2 4.07Å; E130-Y136 VanDerWaalsContact O-CB 3.24Å; E130-Y136 WeakPolarHBondContact O-CB 3.46Å; P131-Y136 WeakPolarHBondContact O-CD1 3.45Å; S133-Y136 WeakPolarHBondContact O-CB 3.36Å; S133-Y136 PolarHBondContact O-N 3.01Å; Y136-K138 VanDerWaalsContact C-N 3.33Å; Y136-K138 PolarHBondContact O-N 3.06Å; Y136-V139 PolarHBondContact O-N 2.87Å; Y136-L140 HydrophobicContact CE1-CD2 4.3Å; Y136-L140 WeakPolarHBondContact O-CB 3.29Å; Y136-L140 PolarHBondContact O-N 2.98Å |
| 137 | W | 94.3 | Very high | 93.9 | Very high | 135 Ų | 135 | 106 Ų | 106 | 51% | 0.511 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.6 | -32 | -179.7 | -66.2 | 104.8 | 0 | 0 | 0 | 113.6 | P131 S133 H134 E135 L140 R141 | P131-W137 PolarHBondContact O-NE1 2.75Å; S133-W137 VanDerWaalsContact O-CD1 3.27Å; H134-W137 PolarHBondContact O-N 3.32Å; E135-W137 VanDerWaalsContact C-N 3.34Å; E135-W137 PolarHBondContact O-N 3.28Å; W137-L140 HydrophobicContact CE3-CD2 3.64Å; W137-L140 HydrophobicContact CZ3-CD2 3.49Å; W137-L140 VanDerWaalsContact CZ3-CD2 3.49Å; W137-R141 WeakPolarHBondContact O-CB 3.35Å; W137-R141 PolarHBondContact O-N 3.2Å |
| 138 | K | 94.8 | Very high | 94.3 | Very high | 122 Ų | 122 | 102.8 Ų | 102.8 | 53% | 0.53 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.2 | -47 | 172.8 | -76.9 | 177.3 | 172.3 | 172.2 | 0 | 111.4 | H134 E135 Y136 K142 | H134-K138 WeakPolarHBondContact CE1-CE 3.41Å; H134-K138 PolarHBondContact O-N 2.86Å; E135-K138 WeakPolarHBondContact O-CB 3.45Å; E135-K138 PolarHBondContact O-N 3.1Å; Y136-K138 VanDerWaalsContact C-N 3.33Å; Y136-K138 PolarHBondContact O-N 3.06Å; K138-K142 PolarHBondContact O-N 2.95Å; K138-K142 VanDerWaalsContact O-N 3.13Å |
| 139 | V | 94.9 | Very high | 94.6 | Very high | 42 Ų | 42 | 101.8 Ų | 101.8 | 26% | 0.255 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.7 | -46.7 | 178.3 | 177 | 0 | 0 | 0 | 0 | 110.2 | I126 L129 E135 Y136 R141 K142 E143 | I126-V139 HydrophobicContact CB-CG1 4.05Å; L129-V139 HydrophobicContact CD1-CB 4.41Å; L129-V139 HydrophobicContact CD1-CG2 3.89Å; E135-V139 WeakPolarHBondContact O-CG2 3.46Å; E135-V139 PolarHBondContact O-N 3.13Å; Y136-V139 PolarHBondContact O-N 2.87Å; V139-R141 VanDerWaalsContact C-N 3.34Å; V139-R141 PolarHBondContact O-N 2.86Å; V139-K142 WeakPolarHBondContact O-CB 3.4Å; V139-K142 PolarHBondContact O-N 3.29Å; V139-K142 VanDerWaalsContact O-N 3.1Å; V139-E143 HydrophobicContact CG1-CG 4.43Å; V139-E143 PolarHBondContact O-N 3.3Å |
| 140 | L | 95.3 | Very high | 94.9 | Very high | 32 Ų | 32 | 110.1 Ų | 110.1 | 17% | 0.168 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -56.8 | -46.1 | 178 | -175.3 | 67.9 | 0 | 0 | 0 | 112.3 | I126 Y136 W137 K142 E143 H144 | I126-L140 HydrophobicContact CD1-CB 3.68Å; I126-L140 HydrophobicContact CD1-CD1 3.43Å; I126-L140 VanDerWaalsContact CD1-CD1 3.43Å; I126-L140 HydrophobicContact CD1-CG 4.13Å; Y136-L140 HydrophobicContact CE1-CD2 4.3Å; Y136-L140 WeakPolarHBondContact O-CB 3.29Å; Y136-L140 PolarHBondContact O-N 2.98Å; W137-L140 HydrophobicContact CE3-CD2 3.64Å; W137-L140 HydrophobicContact CZ3-CD2 3.49Å; W137-L140 VanDerWaalsContact CZ3-CD2 3.49Å; L140-K142 VanDerWaalsContact C-N 3.33Å; L140-K142 PolarHBondContact O-N 3.24Å; L140-E143 PolarHBondContact O-N 3.47Å; L140-H144 WeakPolarHBondContact CD1-NE2 3.35Å; L140-H144 PolarHBondContact O-N 2.86Å |
| 141 | R | 95.4 | Very high | 95.1 | Very high | 178 Ų | 178 | 107.5 Ų | 107.5 | 67% | 0.672 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60 | -44.7 | 177.2 | -175.4 | -176.8 | -62.1 | 177.2 | 1.4 | 111.3 | W137 V139 H144 M145 | W137-R141 WeakPolarHBondContact O-CB 3.35Å; W137-R141 PolarHBondContact O-N 3.2Å; V139-R141 VanDerWaalsContact C-N 3.34Å; V139-R141 PolarHBondContact O-N 2.86Å; R141-H144 PolarHBondContact O-N 3.43Å; R141-M145 HydrophobicContact CG-SD 4.46Å; R141-M145 WeakPolarHBondContact O-CG 3.39Å; R141-M145 PolarHBondContact O-N 3.01Å |
| 142 | K | 96 | Very high | 95.3 | Very high | 135 Ų | 135 | 108 Ų | 108 | 59% | 0.587 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -60.3 | -46.8 | 177.8 | -174.4 | -178.4 | 177.6 | -175.1 | 0 | 110.9 | K138 V139 L140 H144 M145 L146 | K138-K142 PolarHBondContact O-N 2.95Å; K138-K142 VanDerWaalsContact O-N 3.13Å; V139-K142 WeakPolarHBondContact O-CB 3.4Å; V139-K142 PolarHBondContact O-N 3.29Å; V139-K142 VanDerWaalsContact O-N 3.1Å; L140-K142 VanDerWaalsContact C-N 3.33Å; L140-K142 PolarHBondContact O-N 3.24Å; K142-H144 PolarHBondContact O-N 2.96Å; K142-M145 PolarHBondContact O-N 2.83Å; K142-L146 HydrophobicContact CG-CD1 4.2Å; K142-L146 VanDerWaalsContact O-CG 3.29Å; K142-L146 WeakPolarHBondContact O-CG 3.4Å; K142-L146 PolarHBondContact O-N 3.39Å |
| 143 | E | 95.3 | Very high | 95.4 | Very high | 96 Ų | 96 | 109 Ų | 109 | 45% | 0.449 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.9 | -44.4 | 176.9 | -73.6 | -56.7 | 131.8 | 0 | 0 | 112.2 | V139 L140 M145 L146 R147 | V139-E143 HydrophobicContact CG1-CG 4.43Å; V139-E143 PolarHBondContact O-N 3.3Å; L140-E143 PolarHBondContact O-N 3.47Å; E143-M145 PolarHBondContact O-N 2.82Å; E143-L146 PolarHBondContact O-N 2.98Å; E143-R147 WeakPolarHBondContact O-CB 3.44Å; E143-R147 PolarHBondContact O-N 3.39Å |
| 144 | H | 96.9 | Very high | 95.2 | Very high | 113 Ų | 113 | 110.8 Ų | 110.8 | 52% | 0.523 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.2 | -42.7 | 176.1 | -72.8 | -177.1 | 0 | 0 | 0 | 112.4 | L140 R141 K142 R147 F148 | L140-H144 WeakPolarHBondContact CD1-NE2 3.35Å; L140-H144 PolarHBondContact O-N 2.86Å; R141-H144 PolarHBondContact O-N 3.43Å; K142-H144 PolarHBondContact O-N 2.96Å; H144-R147 PolarHBondContact O-N 3.1Å; H144-F148 WeakPolarHBondContact O-CB 3.35Å; H144-F148 PolarHBondContact O-N 3.29Å |
| 145 | M | 97.4 | Very high | 95.1 | Very high | 113 Ų | 113 | 110.8 Ų | 110.8 | 56% | 0.557 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.9 | -44.9 | 175.5 | -71.6 | -178.7 | 70 | 0 | 0 | 111.8 | R141 K142 E143 R147 F148 N149 | R141-M145 HydrophobicContact CG-SD 4.46Å; R141-M145 WeakPolarHBondContact O-CG 3.39Å; R141-M145 PolarHBondContact O-N 3.01Å; K142-M145 PolarHBondContact O-N 2.83Å; E143-M145 PolarHBondContact O-N 2.82Å; M145-R147 VanDerWaalsContact C-N 3.34Å; M145-R147 PolarHBondContact O-N 2.93Å; M145-F148 PolarHBondContact O-N 3.27Å; M145-N149 WeakPolarHBondContact O-CB 3.11Å; M145-N149 PolarHBondContact O-N 2.82Å; M145-N149 PolarHBondContact O-ND2 3.47Å |
| 146 | L | 96.6 | Very high | 94.3 | Very high | 79 Ų | 79 | 115.3 Ų | 115.3 | 41% | 0.414 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.3 | -42.4 | 177.7 | -69.8 | 175.4 | 0 | 0 | 0 | 111.5 | K142 E143 N149 R150 | K142-L146 HydrophobicContact CG-CD1 4.2Å; K142-L146 VanDerWaalsContact O-CG 3.29Å; K142-L146 WeakPolarHBondContact O-CG 3.4Å; K142-L146 PolarHBondContact O-N 3.39Å; E143-L146 PolarHBondContact O-N 2.98Å; L146-N149 PolarHBondContact O-N 3.27Å; L146-R150 WeakPolarHBondContact O-CB 3.41Å; L146-R150 PolarHBondContact O-N 2.99Å |
| 147 | R | 96.9 | Very high | 93.1 | Very high | 164 Ų | 164 | 124.8 Ų | 124.8 | 62% | 0.619 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -61.5 | -47.5 | 173.9 | -178.2 | 177.2 | 180 | -87 | -0 | 111.3 | E143 H144 M145 N149 R150 L151 | E143-R147 WeakPolarHBondContact O-CB 3.44Å; E143-R147 PolarHBondContact O-N 3.39Å; H144-R147 PolarHBondContact O-N 3.1Å; M145-R147 VanDerWaalsContact C-N 3.34Å; M145-R147 PolarHBondContact O-N 2.93Å; R147-N149 PolarHBondContact O-N 3.5Å; R147-R150 WeakPolarHBondContact O-CB 3.32Å; R147-R150 PolarHBondContact O-N 2.99Å; R147-L151 HydrophobicContact CG-CD1 4.09Å; R147-L151 VanDerWaalsContact O-CG 3.32Å; R147-L151 WeakPolarHBondContact O-CG 3.5Å; R147-L151 PolarHBondContact O-N 3.01Å |
| 148 | F | 97.1 | Very high | 93 | Very high | 114 Ų | 114 | 124.3 Ų | 124.3 | 50% | 0.5 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -58.6 | -48.2 | 177.8 | 179.3 | -92.3 | 0 | 0 | 0 | 111.4 | H144 M145 R150 L151 H152 | H144-F148 WeakPolarHBondContact O-CB 3.35Å; H144-F148 PolarHBondContact O-N 3.29Å; M145-F148 PolarHBondContact O-N 3.27Å; F148-R150 VanDerWaalsContact C-N 3.31Å; F148-R150 PolarHBondContact O-N 3.14Å; F148-L151 PolarHBondContact O-N 3.46Å; F148-H152 AromaticContact CD1-ND1 3.99Å; F148-H152 AromaticContact CD2-CE1 3.44Å; F148-H152 VanDerWaalsContact CD2-CE1 3.44Å; F148-H152 WeakPolarHBondContact CD2-CE1 3.26Å; F148-H152 AromaticContact CD2-ND1 3.51Å; F148-H152 HydrophobicContact CE1-CB 4.49Å; F148-H152 AromaticContact CE1-ND1 3.89Å; F148-H152 AromaticContact CE2-CE1 3.11Å; F148-H152 WeakPolarHBondContact CE2-CE1 3.48Å; F148-H152 AromaticContact CE2-ND1 3.41Å; F148-H152 WeakPolarHBondContact CE2-ND1 3.29Å; F148-H152 AromaticContact CE2-NE2 3.7Å; F148-H152 AromaticContact CG-ND1 3.8Å; F148-H152 AromaticContact CZ-CE1 3.62Å; F148-H152 AromaticContact CZ-CG 3.85Å; F148-H152 AromaticContact CZ-ND1 3.6Å; F148-H152 AromaticContact CZ-NE2 3.92Å; F148-H152 WeakPolarHBondContact O-CB 3.47Å; F148-H152 PolarHBondContact O-N 3.3Å; F148-H152 PolarHBondContact O-ND1 3.48Å |
| 149 | N | 96.8 | Very high | 93 | Very high | 94 Ų | 94 | 124.4 Ų | 124.4 | 50% | 0.503 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -60.5 | -40.5 | 177.7 | -70.6 | -12.5 | 0 | 0 | 0 | 111.7 | M145 L146 R147 H152 K153 | M145-N149 WeakPolarHBondContact O-CB 3.11Å; M145-N149 PolarHBondContact O-N 2.82Å; M145-N149 PolarHBondContact O-ND2 3.47Å; L146-N149 PolarHBondContact O-N 3.27Å; R147-N149 PolarHBondContact O-N 3.5Å; N149-H152 PolarHBondContact O-N 3.28Å; N149-K153 PolarHBondContact O-N 3.16Å |
| 150 | R | 96.6 | Very high | 92.9 | Very high | 194 Ų | 194 | 128.9 Ų | 128.9 | 73% | 0.732 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -62.5 | -44.4 | 176.2 | -170 | -176.9 | -60 | -179.2 | 2.6 | 111.7 | L146 R147 F148 H152 K153 | L146-R150 WeakPolarHBondContact O-CB 3.41Å; L146-R150 PolarHBondContact O-N 2.99Å; R147-R150 WeakPolarHBondContact O-CB 3.32Å; R147-R150 PolarHBondContact O-N 2.99Å; F148-R150 VanDerWaalsContact C-N 3.31Å; F148-R150 PolarHBondContact O-N 3.14Å; R150-H152 VanDerWaalsContact C-N 3.34Å; R150-K153 WeakPolarHBondContact O-CB 3.5Å; R150-K153 PolarHBondContact O-N 3.42Å |
| 151 | L | 95.6 | Very high | 92.7 | Very high | 86 Ų | 86 | 134.6 Ų | 134.6 | 45% | 0.45 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -72.2 | -25.5 | -179.4 | -67.8 | 174.7 | 0 | 0 | 0 | 113.6 | R147 F148 K155 | R147-L151 HydrophobicContact CG-CD1 4.09Å; R147-L151 VanDerWaalsContact O-CG 3.32Å; R147-L151 WeakPolarHBondContact O-CG 3.5Å; R147-L151 PolarHBondContact O-N 3.01Å; F148-L151 PolarHBondContact O-N 3.46Å; L151-K155 WeakPolarHBondContact O-CE 3.07Å; L151-K155 PolarHBondContact O-NZ 3.01Å |
| 152 | H | 93.7 | Very high | 92.5 | Very high | 80 Ų | 80 | 131.9 Ų | 131.9 | 37% | 0.37 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -98.9 | -1.4 | 179.9 | -68 | 78.3 | 0 | 0 | 0 | 113.1 | F148 N149 R150 G154 K155 | F148-H152 AromaticContact CD1-ND1 3.99Å; F148-H152 AromaticContact CD2-CE1 3.44Å; F148-H152 VanDerWaalsContact CD2-CE1 3.44Å; F148-H152 WeakPolarHBondContact CD2-CE1 3.26Å; F148-H152 AromaticContact CD2-ND1 3.51Å; F148-H152 HydrophobicContact CE1-CB 4.49Å; F148-H152 AromaticContact CE1-ND1 3.89Å; F148-H152 AromaticContact CE2-CE1 3.11Å; F148-H152 WeakPolarHBondContact CE2-CE1 3.48Å; F148-H152 AromaticContact CE2-ND1 3.41Å; F148-H152 WeakPolarHBondContact CE2-ND1 3.29Å; F148-H152 AromaticContact CE2-NE2 3.7Å; F148-H152 AromaticContact CG-ND1 3.8Å; F148-H152 AromaticContact CZ-CE1 3.62Å; F148-H152 AromaticContact CZ-CG 3.85Å; F148-H152 AromaticContact CZ-ND1 3.6Å; F148-H152 AromaticContact CZ-NE2 3.92Å; F148-H152 WeakPolarHBondContact O-CB 3.47Å; F148-H152 PolarHBondContact O-N 3.3Å; F148-H152 PolarHBondContact O-ND1 3.48Å; N149-H152 PolarHBondContact O-N 3.28Å; R150-H152 VanDerWaalsContact C-N 3.34Å; H152-G154 PolarHBondContact O-N 3.25Å; H152-G154 VanDerWaalsContact O-N 3.16Å; H152-K155 PolarHBondContact O-N 3.14Å |
| 153 | K | 94.6 | Very high | 92.3 | Very high | 182 Ų | 182 | 131.7 Ų | 131.7 | 79% | 0.791 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.9 | 119.1 | 173.3 | -166.6 | 174.6 | -177.3 | -179.3 | 0 | 109.4 | N149 R150 | N149-K153 PolarHBondContact O-N 3.16Å; R150-K153 WeakPolarHBondContact O-CB 3.5Å; R150-K153 PolarHBondContact O-N 3.42Å |
| 154 | G | 89.6 | Confident | 92.1 | Very high | 77 Ų | 77 | 134.3 Ų | 134.3 | 79% | 0.794 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 85.5 | 0.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | H152 K156 | H152-G154 PolarHBondContact O-N 3.25Å; H152-G154 VanDerWaalsContact O-N 3.16Å; G154-K156 PolarHBondContact O-N 3.43Å |
| 155 | K | 90.2 | Very high | 91.7 | Very high | 133 Ų | 133 | 135.9 Ų | 135.9 | 58% | 0.578 | 65% | 0.653 | S | S | * | * | trans | -75 | 124.8 | 169.4 | -66.4 | -175.8 | -178.9 | 168.3 | 0 | 109.1 | L151 H152 | L151-K155 WeakPolarHBondContact O-CE 3.07Å; L151-K155 PolarHBondContact O-NZ 3.01Å; H152-K155 PolarHBondContact O-N 3.14Å | ||
| 156 | K | 77.1 | Confident | 91.3 | Very high | 202 Ų | 202 | 137.8 Ų | 137.8 | 88% | 0.878 | 66% | 0.661 | S | S | * | * | trans | -76.2 | 142.7 | 169.5 | -66.1 | -179.2 | -178.6 | 176.9 | 0 | 108.3 | G154 | G154-K156 PolarHBondContact O-N 3.43Š| ||
| 157 | L | 70.4 | Confident | 90.8 | Very high | 249 Ų | 249 | 143.2 Ų | 143.2 | 100% | 1.304 | 68% | 0.684 | S | S | * | * | trans | -64.6 | 0 | 175 | -69.4 | 167.6 | 0 | 0 | 0 | 111.1 |
Retrieved 157 of 157 residues in 20.5 ms
(Link to these results)